G4VPT4_SCHMA Loading...

DREV protein-like protein

AlphaFold DB , UniProt , Accession G4VPT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 306 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
1M62.4Low74Confident160 Ų160118.7 Ų118.779%0.78856%0.558SS**  0-38.80-140.8176.8-74.900112E3 Y4 Y14M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.23Å; M1-Y4 PolarHBondContact O-N 3.14Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; M1-Y14 HydrophobicContact CB-CE1 4.28Å; M1-Y14 HydrophobicContact CB-CE2 4.18Å; M1-Y14 WeakPolarHBondContact CB-OH 3.36Å; M1-Y14 HydrophobicContact SD-CE2 4.28Å
2S63.3Low74.3Confident32 Ų32114.2 Ų114.222%0.22454%0.54CS..G310 helixtrans-53.7-36.3176.956.90000114.6Y4 I5S2-Y4 PolarHBondContact O-N 3.3Å; S2-Y4 VanDerWaalsContact O-N 3.15Å; S2-I5 WeakPolarHBondContact O-CB 3.46Å; S2-I5 PolarHBondContact O-N 3.4Å
3E69.7Low74.6Confident174 Ų174112.8 Ų112.881%0.81354%0.535SS*.G310 helixtrans-60-23.5178.9-65.3-179.217300114.1M1M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.23Å
4Y73.8Confident75.2Confident197 Ų197110.2 Ų110.277%0.77352%0.518SS*.G310 helixtrans-90-8178.3-60.3-77.2000113.2M1 S2 R6M1-Y4 PolarHBondContact O-N 3.14Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; S2-Y4 PolarHBondContact O-N 3.3Å; S2-Y4 VanDerWaalsContact O-N 3.15Å; Y4-R6 PolarHBondContact O-N 3.14Å
5I74.6Confident75.7Confident39 Ų39107.3 Ų107.320%0.250%0.504CS..  trans-87.2107.8-178.5-56.5176.6000109.2S2 I10 R11 Y14S2-I5 WeakPolarHBondContact O-CB 3.46Å; S2-I5 PolarHBondContact O-N 3.4Å; I5-I10 HydrophobicContact CD1-CG2 4.28Å; I5-I10 HydrophobicContact CG2-CB 3.61Å; I5-I10 HydrophobicContact CG2-CG2 3.57Å; I5-R11 HydrophobicContact CB-CB 4.31Å; I5-R11 HydrophobicContact CG2-CB 4.16Å; I5-Y14 HydrophobicContact CD1-CD1 4.46Å; I5-Y14 HydrophobicContact CD1-CD2 4.03Å; I5-Y14 HydrophobicContact CD1-CG 3.8Å
6R75.5Confident76.1Confident248 Ų248101.7 Ų101.794%0.93648%0.477SS*.  trans-75.5-24-178.5-67.3-173.4176.8-173.8-0.9114.4Y4 P8Y4-R6 PolarHBondContact O-N 3.14Å; R6-P8 WeakPolarHBondContact O-CD 3.44Å
7S79.8Confident76.5Confident51 Ų51101.1 Ų101.136%0.35748%0.478SS..  trans-82.9117.9178.7176.70000110.3L9 I10 R11S7-L9 PolarHBondContact O-N 2.71Å; S7-I10 PolarHBondContact O-N 3Å; S7-R11 PolarHBondContact O-N 2.9Å
8P78.1Confident77Confident85 Ų8598.7 Ų98.755%0.55247%0.468SS*.Hα-helixtrans-57.3-36.9-178.9-2635.1000113.2R6 R11 L12R6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-R11 PolarHBondContact O-N 3.44Å; P8-L12 VanDerWaalsContact O-CG 3.32Å; P8-L12 WeakPolarHBondContact O-CG 3.27Å; P8-L12 PolarHBondContact O-N 3.09Å
9L76.3Confident77.5Confident109 Ų10994.6 Ų94.657%0.57145%0.449SS*.Hα-helixtrans-66.8-45.6178.8-17567.8000111.6S7 R11 L12 M13S7-L9 PolarHBondContact O-N 2.71Å; L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3.18Å; L9-L12 PolarHBondContact O-N 3.12Å; L9-M13 WeakPolarHBondContact O-CG 3.48Å; L9-M13 PolarHBondContact O-N 3.27Å
10I79.1Confident77.9Confident97 Ų9791.3 Ų91.350%0.49743%0.433SS..Hα-helixtrans-65.3-37.3177.9-58.2179.1000109.8I5 S7 M13 Y14I5-I10 HydrophobicContact CD1-CG2 4.28Å; I5-I10 HydrophobicContact CG2-CB 3.61Å; I5-I10 HydrophobicContact CG2-CG2 3.57Å; S7-I10 PolarHBondContact O-N 3Å; I10-M13 PolarHBondContact O-N 3.33Å; I10-Y14 WeakPolarHBondContact O-CB 3.5Å; I10-Y14 PolarHBondContact O-N 2.96Å
11R81.7Confident78.3Confident114 Ų11492.3 Ų92.343%0.4344%0.441SS..Hα-helixtrans-62.9-46.9176.3-169.4177.270.8-170.71.5111.6I5 S7 P8 L9 M13 Y14 E15I5-R11 HydrophobicContact CB-CB 4.31Å; I5-R11 HydrophobicContact CG2-CB 4.16Å; S7-R11 PolarHBondContact O-N 2.9Å; P8-R11 PolarHBondContact O-N 3.44Å; L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3.18Å; R11-M13 PolarHBondContact O-N 3.09Å; R11-Y14 PolarHBondContact O-N 2.59Å; R11-E15 IonicContact NE-OE1 3.94Å; R11-E15 WeakPolarHBondContact O-CG 3.43Å; R11-E15 PolarHBondContact O-N 3.25Å
12L77.7Confident79.4Confident64 Ų6491 Ų9134%0.33543%0.431SS..Hα-helixtrans-59.6-45.3175.2-74.3167.9000111.8P8 L9 Y14 E15 K16P8-L12 VanDerWaalsContact O-CG 3.32Å; P8-L12 WeakPolarHBondContact O-CG 3.27Å; P8-L12 PolarHBondContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.12Å; L12-Y14 VanDerWaalsContact C-N 3.34Å; L12-Y14 PolarHBondContact O-N 2.96Å; L12-E15 PolarHBondContact O-N 2.74Å; L12-K16 WeakPolarHBondContact O-CB 3.38Å; L12-K16 PolarHBondContact O-N 3.4Å
13M77.6Confident80.6Confident97 Ų9790.6 Ų90.648%0.47843%0.425SS..Hα-helixtrans-62.4-41176.5-71.1-178.271.100112.1L9 I10 R11 K16 L17L9-M13 WeakPolarHBondContact O-CG 3.48Å; L9-M13 PolarHBondContact O-N 3.27Å; I10-M13 PolarHBondContact O-N 3.33Å; R11-M13 PolarHBondContact O-N 3.09Å; M13-K16 PolarHBondContact O-N 3.41Å; M13-L17 WeakPolarHBondContact O-CB 3.4Å; M13-L17 VanDerWaalsContact O-CG 3.3Å; M13-L17 WeakPolarHBondContact O-CG 3.38Å; M13-L17 PolarHBondContact O-N 2.72Å
14Y83.4Confident81.2Confident76 Ų7685.5 Ų85.530%0.29841%0.409SS..Hα-helixtrans-64.3-47176.6-179.7-83.6000111.6M1 I5 I10 R11 L12 K16 L17 D18M1-Y14 HydrophobicContact CB-CE1 4.28Å; M1-Y14 HydrophobicContact CB-CE2 4.18Å; M1-Y14 WeakPolarHBondContact CB-OH 3.36Å; M1-Y14 HydrophobicContact SD-CE2 4.28Å; I5-Y14 HydrophobicContact CD1-CD1 4.46Å; I5-Y14 HydrophobicContact CD1-CD2 4.03Å; I5-Y14 HydrophobicContact CD1-CG 3.8Å; I10-Y14 WeakPolarHBondContact O-CB 3.5Å; I10-Y14 PolarHBondContact O-N 2.96Å; R11-Y14 PolarHBondContact O-N 2.59Å; L12-Y14 VanDerWaalsContact C-N 3.34Å; L12-Y14 PolarHBondContact O-N 2.96Å; Y14-K16 VanDerWaalsContact C-N 3.28Å; Y14-K16 PolarHBondContact O-N 2.7Å; Y14-L17 PolarHBondContact O-N 3.12Å; Y14-D18 HydrophobicContact CE1-CB 4.39Å; Y14-D18 WeakPolarHBondContact O-CB 3.32Å; Y14-D18 PolarHBondContact O-N 3.05Å
15E82.6Confident81.6Confident67 Ų6783.7 Ų83.731%0.31341%0.412SS..Hα-helixtrans-59.1-41.6176.8-75.1169.4-173.800111.4R11 L12 D18 H19 S286R11-E15 IonicContact NE-OE1 3.94Å; R11-E15 WeakPolarHBondContact O-CG 3.43Å; R11-E15 PolarHBondContact O-N 3.25Å; L12-E15 PolarHBondContact O-N 2.74Å; E15-D18 PolarHBondContact O-N 2.93Å; E15-H19 VanDerWaalsContact O-CB 3.31Å; E15-H19 WeakPolarHBondContact O-CB 3.3Å; E15-H19 PolarHBondContact O-N 3.25Å; E15-S286 CarbonylContact C-O 3.59Å
16K82Confident82.3Confident17 Ų1783.6 Ų83.67%0.07442%0.415CS..Hα-helixtrans-65.3-45.2176-174.6-178171.9-161.30112.6L12 M13 Y14 H19 Q20 S67 D68 S286L12-K16 WeakPolarHBondContact O-CB 3.38Å; L12-K16 PolarHBondContact O-N 3.4Å; M13-K16 PolarHBondContact O-N 3.41Å; Y14-K16 VanDerWaalsContact C-N 3.28Å; Y14-K16 PolarHBondContact O-N 2.7Å; K16-H19 WeakPolarHBondContact O-CB 3.35Å; K16-H19 PolarHBondContact O-N 2.82Å; K16-Q20 WeakPolarHBondContact O-CB 3.43Å; K16-Q20 WeakPolarHBondContact O-CG 3.27Å; K16-Q20 PolarHBondContact O-N 2.85Å; K16-S67 WeakPolarHBondContact CE-OG 3.18Å; K16-S67 PolarHBondContact NZ-O 3.11Å; K16-S67 PolarHBondContact NZ-OG 3.28Å; K16-D68 WeakPolarHBondContact CE-OD1 3.26Å; K16-D68 IonicContact NZ-OD1 2.67Å; K16-D68 PolarHBondContact NZ-OD1 3.1Å; K16-S286 WeakPolarHBondContact CA-O 3.49Å; K16-S286 PolarHBondContact N-O 2.85Å
17L83.6Confident83Confident92 Ų9277 Ų7748%0.48240%0.399SS..Hα-helixtrans-64.2-42177.2-75.1171.2000111.6M13 Y14 H19 Q20 N21M13-L17 WeakPolarHBondContact O-CB 3.4Å; M13-L17 VanDerWaalsContact O-CG 3.3Å; M13-L17 WeakPolarHBondContact O-CG 3.38Å; M13-L17 PolarHBondContact O-N 2.72Å; Y14-L17 PolarHBondContact O-N 3.12Å; L17-H19 VanDerWaalsContact C-N 3.34Å; L17-Q20 PolarHBondContact O-N 3.08Å; L17-N21 VanDerWaalsContact O-CB 3.3Å; L17-N21 WeakPolarHBondContact O-CB 3.34Å; L17-N21 PolarHBondContact O-N 3.03Å; L17-N21 PolarHBondContact O-ND2 2.93Å
18D85.8Confident83.6Confident58 Ų5874.7 Ų74.731%0.3138%0.382SS..Hα-helixtrans-61.3-43.5174.6-176.764.6000111.2Y14 E15 N21 K22Y14-D18 HydrophobicContact CE1-CB 4.39Å; Y14-D18 WeakPolarHBondContact O-CB 3.32Å; Y14-D18 PolarHBondContact O-N 3.05Å; E15-D18 PolarHBondContact O-N 2.93Å; D18-N21 PolarHBondContact O-N 2.69Å; D18-K22 WeakPolarHBondContact O-CB 3.49Å; D18-K22 VanDerWaalsContact O-CG 3.3Å; D18-K22 WeakPolarHBondContact O-CG 3.42Å; D18-K22 PolarHBondContact O-N 2.92Å; D18-K22 IonicContact OD1-NZ 2.68Å; D18-K22 VanDerWaalsContact OD2-CE 3.24Å; D18-K22 WeakPolarHBondContact OD2-CE 3.3Å; D18-K22 IonicContact OD2-NZ 2.83Å; D18-K22 PolarHBondContact OD2-NZ 3.35Å
19H86.3Confident84.4Confident20 Ų2075.5 Ų75.59%0.09338%0.382CS..Hα-helixtrans-60.4-51.1174-175.9-85.8000111.9E15 K16 L17 N21 K22 H23 F289E15-H19 VanDerWaalsContact O-CB 3.31Å; E15-H19 WeakPolarHBondContact O-CB 3.3Å; E15-H19 PolarHBondContact O-N 3.25Å; K16-H19 WeakPolarHBondContact O-CB 3.35Å; K16-H19 PolarHBondContact O-N 2.82Å; L17-H19 VanDerWaalsContact C-N 3.34Å; H19-N21 VanDerWaalsContact C-N 3.34Å; H19-N21 PolarHBondContact O-N 2.85Å; H19-K22 PolarHBondContact O-N 3.21Å; H19-H23 AromaticContact CD2-CD2 3.84Å; H19-H23 AromaticContact CE1-CD2 3.6Å; H19-H23 AromaticContact ND1-CD2 3.9Å; H19-H23 AromaticContact NE2-CD2 3.58Å; H19-H23 AromaticContact NE2-NE2 3.69Å; H19-H23 PolarHBondContact O-CD2 3.37Å; H19-H23 PolarHBondContact O-N 3.48Å; H19-F289 AromaticContact CE1-CD1 3.77Å; H19-F289 AromaticContact CE1-CE1 3.66Å; H19-F289 PolarHBondContact CE1-O 3.01Å; H19-F289 PolarHBondContact NE2-O 3.43Å
20Q84.6Confident85.2Confident28 Ų2875.1 Ų75.113%0.13138%0.377CS..Hα-helixtrans-59.3-45177.6-75.5-178.3-20.100111.2K16 L17 K22 H23 S24 Y64 D68 S288K16-Q20 WeakPolarHBondContact O-CB 3.43Å; K16-Q20 WeakPolarHBondContact O-CG 3.27Å; K16-Q20 PolarHBondContact O-N 2.85Å; L17-Q20 PolarHBondContact O-N 3.08Å; Q20-K22 VanDerWaalsContact C-N 3.33Å; Q20-K22 PolarHBondContact O-N 3.49Å; Q20-H23 PolarHBondContact O-N 3.01Å; Q20-S24 VanDerWaalsContact O-CB 3.22Å; Q20-S24 WeakPolarHBondContact O-CB 3.49Å; Q20-S24 PolarHBondContact O-N 3.44Å; Q20-S24 PolarHBondContact O-OG 3.39Å; Q20-Y64 HydrophobicContact CG-CD1 3.9Å; Q20-Y64 HydrophobicContact CG-CE1 4.13Å; Q20-D68 PolarHBondContact NE2-OD1 2.86Å; Q20-S288 WeakPolarHBondContact CG-OG 3.48Å; Q20-S288 PolarHBondContact NE2-OG 3.38Å
21N85.8Confident86Confident113 Ų11370.7 Ų70.760%0.60435%0.354SS*.Hα-helixtrans-61.9-38.9179.2-74.9-26.8000112.7L17 D18 H19 H23L17-N21 VanDerWaalsContact O-CB 3.3Å; L17-N21 WeakPolarHBondContact O-CB 3.34Å; L17-N21 PolarHBondContact O-N 3.03Å; L17-N21 PolarHBondContact O-ND2 2.93Å; D18-N21 PolarHBondContact O-N 2.69Å; H19-N21 VanDerWaalsContact C-N 3.34Å; H19-N21 PolarHBondContact O-N 2.85Å; N21-H23 VanDerWaalsContact C-N 3.3Å; N21-H23 PolarHBondContact O-N 3.01Å
22K86.2Confident86.8Confident134 Ų13465.4 Ų65.458%0.58333%0.334SS*.Hα-helixtrans-63.9-34.3176.8-77.9169.2176.4166.70113.1D18 H19 Q20D18-K22 WeakPolarHBondContact O-CB 3.49Å; D18-K22 VanDerWaalsContact O-CG 3.3Å; D18-K22 WeakPolarHBondContact O-CG 3.42Å; D18-K22 PolarHBondContact O-N 2.92Å; D18-K22 IonicContact OD1-NZ 2.68Å; D18-K22 VanDerWaalsContact OD2-CE 3.24Å; D18-K22 WeakPolarHBondContact OD2-CE 3.3Å; D18-K22 IonicContact OD2-NZ 2.83Å; D18-K22 PolarHBondContact OD2-NZ 3.35Å; H19-K22 PolarHBondContact O-N 3.21Å; Q20-K22 VanDerWaalsContact C-N 3.33Å; Q20-K22 PolarHBondContact O-N 3.49Å
23H89.4Confident87.7Confident23 Ų2365.3 Ų65.311%0.10633%0.334CS..Hα-helixtrans-104.6-22.4-170.4-68.9-71.6000114.1H19 Q20 N21 N25 S26 H28 Y64 F289 Y291H19-H23 AromaticContact CD2-CD2 3.84Å; H19-H23 AromaticContact CE1-CD2 3.6Å; H19-H23 AromaticContact ND1-CD2 3.9Å; H19-H23 AromaticContact NE2-CD2 3.58Å; H19-H23 AromaticContact NE2-NE2 3.69Å; H19-H23 PolarHBondContact O-CD2 3.37Å; H19-H23 PolarHBondContact O-N 3.48Å; Q20-H23 PolarHBondContact O-N 3.01Å; N21-H23 VanDerWaalsContact C-N 3.3Å; N21-H23 PolarHBondContact O-N 3.01Å; H23-N25 PolarHBondContact O-N 3.01Å; H23-S26 PolarHBondContact O-N 2.96Å; H23-H28 AromaticContact CE1-NE2 3.91Å; H23-H28 AromaticContact CG-NE2 3.56Å; H23-H28 AromaticContact ND1-CD2 3.42Å; H23-H28 PolarHBondContact ND1-CD2 2.85Å; H23-H28 AromaticContact ND1-CE1 3.99Å; H23-H28 AromaticContact ND1-NE2 2.81Å; H23-H28 PolarHBondContact ND1-NE2 3.03Å; H23-H28 PolarHBondContact O-CE1 3.17Å; H23-H28 VanDerWaalsContact O-CE1 3.24Å; H23-Y64 WeakPolarHBondContact CB-OH 3.49Å; H23-F289 HydrophobicContact CB-CE1 3.94Å; H23-F289 HydrophobicContact CB-CZ 3.85Å; H23-F289 AromaticContact CD2-CZ 3.9Å; H23-F289 AromaticContact CG-CZ 3.55Å; H23-F289 AromaticContact ND1-CZ 3.64Å; H23-Y291 AromaticContact CE1-CE1 3.99Å
24S82.2Confident88.5Confident66 Ų6662.3 Ų62.346%0.46232%0.318SS..Hα-helixtrans-69.6-28.6-173.4-61.50000114Q20Q20-S24 VanDerWaalsContact O-CB 3.22Å; Q20-S24 WeakPolarHBondContact O-CB 3.49Å; Q20-S24 PolarHBondContact O-N 3.44Å; Q20-S24 PolarHBondContact O-OG 3.39Å
25N81.2Confident89.2Confident159 Ų15962.9 Ų62.985%0.8532%0.319SS*.THydrogen-bonded Turntrans-105.916.4-179.4-65.3-36.4000113H23H23-N25 PolarHBondContact O-N 3.01Å
26S88.9Confident89.7Confident37 Ų3762.9 Ų62.926%0.25932%0.324SS..  trans-114.2137.1-176-177.10000110.7H23 H28H23-S26 PolarHBondContact O-N 2.96Å; S26-H28 PolarHBondContact O-CE1 3.04Å; S26-H28 VanDerWaalsContact O-CE1 3.24Å; S26-H28 PolarHBondContact O-ND1 3.28Å; S26-H28 VanDerWaalsContact O-ND1 3.12Å; S26-H28 PolarHBondContact OG-N 2.87Å
27N90.1Very high90.4Very high111 Ų11168.1 Ų68.159%0.59435%0.349SS*.  trans-85-2.2166.4-67.4-24.2000112.3D29 Q52N27-D29 PolarHBondContact O-N 2.9Å; N27-Q52 WeakPolarHBondContact O-CB 3.41Å; N27-Q52 PolarHBondContact O-OE1 2.81Å
28H94Very high91Very high1 Ų168.2 Ų68.21%0.00534%0.343CS..  trans52.338.1179.8-49.489.3000114.1H23 S26 H30 W31 Y32 Q52H23-H28 AromaticContact CE1-NE2 3.91Å; H23-H28 AromaticContact CG-NE2 3.56Å; H23-H28 AromaticContact ND1-CD2 3.42Å; H23-H28 PolarHBondContact ND1-CD2 2.85Å; H23-H28 AromaticContact ND1-CE1 3.99Å; H23-H28 AromaticContact ND1-NE2 2.81Å; H23-H28 PolarHBondContact ND1-NE2 3.03Å; H23-H28 PolarHBondContact O-CE1 3.17Å; H23-H28 VanDerWaalsContact O-CE1 3.24Å; S26-H28 PolarHBondContact O-CE1 3.04Å; S26-H28 VanDerWaalsContact O-CE1 3.24Å; S26-H28 PolarHBondContact O-ND1 3.28Å; S26-H28 VanDerWaalsContact O-ND1 3.12Å; S26-H28 PolarHBondContact OG-N 2.87Å; H28-H30 PolarHBondContact O-N 2.69Å; H28-W31 HydrophobicContact CB-CB 4.45Å; H28-W31 HydrophobicContact CB-CD2 3.29Å; H28-W31 HydrophobicContact CB-CE3 3.22Å; H28-W31 HydrophobicContact CB-CG 3.81Å; H28-W31 HydrophobicContact CB-CH2 4.06Å; H28-W31 HydrophobicContact CB-CZ2 4.08Å; H28-W31 HydrophobicContact CB-CZ3 3.64Å; H28-W31 AromaticContact CD2-CE2 3.58Å; H28-W31 AromaticContact CD2-CH2 3.38Å; H28-W31 WeakPolarHBondContact CD2-CH2 3.19Å; H28-W31 AromaticContact CD2-CZ2 3.21Å; H28-W31 WeakPolarHBondContact CD2-CZ2 3.26Å; H28-W31 AromaticContact CD2-CZ3 3.88Å; H28-W31 AromaticContact CE1-CH2 3.98Å; H28-W31 AromaticContact CG-CD2 3.85Å; H28-W31 AromaticContact CG-CE2 3.81Å; H28-W31 AromaticContact CG-CE3 3.65Å; H28-W31 AromaticContact CG-CH2 3.51Å; H28-W31 AromaticContact CG-CZ2 3.67Å; H28-W31 AromaticContact CG-CZ3 3.48Å; H28-W31 VanDerWaalsContact CG-CZ3 3.48Å; H28-W31 AromaticContact ND1-CH2 3.86Å; H28-W31 AromaticContact ND1-CZ3 3.77Å; H28-W31 AromaticContact NE2-CH2 3.72Å; H28-W31 AromaticContact NE2-CZ2 3.85Å; H28-W31 VanDerWaalsContact O-CB 3.26Å; H28-W31 WeakPolarHBondContact O-CB 3.34Å; H28-W31 PolarHBondContact O-N 2.89Å; H28-Y32 WeakPolarHBondContact O-CD2 3.27Å; H28-Q52 PolarHBondContact ND1-OE1 3.48Å
29D94.1Very high91.4Very high103 Ų10365.8 Ų65.855%0.55133%0.331SS*.G310 helixtrans-52.6-33.5-177.8-65.3-30.6000112.8N27 W31 Y32N27-D29 PolarHBondContact O-N 2.9Å; D29-W31 PolarHBondContact O-N 3.06Å; D29-Y32 PolarHBondContact O-N 3.04Å
30H93.8Very high91.7Very high100 Ų10069.4 Ų69.446%0.46335%0.351SS..G310 helixtrans-63.1-17.7176.571.7-81.8000114.7H28 Y32 R276H28-H30 PolarHBondContact O-N 2.69Å; H30-Y32 VanDerWaalsContact C-N 3.26Å; H30-R276 PolarHBondContact O-NH1 3.44Å
31W96Very high92.2Very high5 Ų571.7 Ų71.72%0.01937%0.37CS..G310 helixtrans-71.5-21.9172.3-68.3-10.7000112.6H28 D29 L60 R276 P278 L280 F289 Y291H28-W31 HydrophobicContact CB-CB 4.45Å; H28-W31 HydrophobicContact CB-CD2 3.29Å; H28-W31 HydrophobicContact CB-CE3 3.22Å; H28-W31 HydrophobicContact CB-CG 3.81Å; H28-W31 HydrophobicContact CB-CH2 4.06Å; H28-W31 HydrophobicContact CB-CZ2 4.08Å; H28-W31 HydrophobicContact CB-CZ3 3.64Å; H28-W31 AromaticContact CD2-CE2 3.58Å; H28-W31 AromaticContact CD2-CH2 3.38Å; H28-W31 WeakPolarHBondContact CD2-CH2 3.19Å; H28-W31 AromaticContact CD2-CZ2 3.21Å; H28-W31 WeakPolarHBondContact CD2-CZ2 3.26Å; H28-W31 AromaticContact CD2-CZ3 3.88Å; H28-W31 AromaticContact CE1-CH2 3.98Å; H28-W31 AromaticContact CG-CD2 3.85Å; H28-W31 AromaticContact CG-CE2 3.81Å; H28-W31 AromaticContact CG-CE3 3.65Å; H28-W31 AromaticContact CG-CH2 3.51Å; H28-W31 AromaticContact CG-CZ2 3.67Å; H28-W31 AromaticContact CG-CZ3 3.48Å; H28-W31 VanDerWaalsContact CG-CZ3 3.48Å; H28-W31 AromaticContact ND1-CH2 3.86Å; H28-W31 AromaticContact ND1-CZ3 3.77Å; H28-W31 AromaticContact NE2-CH2 3.72Å; H28-W31 AromaticContact NE2-CZ2 3.85Å; H28-W31 VanDerWaalsContact O-CB 3.26Å; H28-W31 WeakPolarHBondContact O-CB 3.34Å; H28-W31 PolarHBondContact O-N 2.89Å; D29-W31 PolarHBondContact O-N 3.06Å; W31-L60 HydrophobicContact CH2-CD2 4.49Å; W31-L60 HydrophobicContact CZ3-CD1 4.3Å; W31-R276 WeakPolarHBondContact O-CD 3.36Å; W31-R276 WeakPolarHBondContact O-CG 3.47Å; W31-P278 HydrophobicContact CB-CB 4.36Å; W31-P278 HydrophobicContact CB-CG 4.44Å; W31-P278 HydrophobicContact CD2-CB 3.75Å; W31-P278 HydrophobicContact CD2-CG 4.09Å; W31-P278 HydrophobicContact CE3-CB 3.58Å; W31-P278 HydrophobicContact CE3-CG 3.48Å; W31-P278 VanDerWaalsContact CE3-CG 3.48Å; W31-P278 HydrophobicContact CG-CB 4.16Å; W31-P278 HydrophobicContact CZ3-CB 4.09Å; W31-P278 HydrophobicContact CZ3-CG 4.02Å; W31-L280 HydrophobicContact CH2-CD2 4.16Å; W31-L280 HydrophobicContact CZ3-CD2 4.3Å; W31-F289 AromaticContact CH2-CE2 3.62Å; W31-F289 HydrophobicContact CH2-CE2 3.62Å; W31-F289 AromaticContact CH2-CZ 3.89Å; W31-F289 HydrophobicContact CH2-CZ 3.89Å; W31-F289 AromaticContact CZ2-CE2 3.97Å; W31-F289 HydrophobicContact CZ2-CE2 3.97Å; W31-F289 HydrophobicContact CZ2-CZ 4.33Å; W31-Y291 AromaticContact CZ2-CD1 3.85Å; W31-Y291 HydrophobicContact CZ2-CD1 3.85Å; W31-Y291 HydrophobicContact CZ2-CD2 4.3Å; W31-Y291 HydrophobicContact CZ2-CE1 4.06Å; W31-Y291 HydrophobicContact CZ2-CE2 4.49Å; W31-Y291 AromaticContact CZ2-CG 3.98Å; W31-Y291 HydrophobicContact CZ2-CG 3.98Å; W31-Y291 AromaticContact NE1-CD2 3.77Å; W31-Y291 AromaticContact NE1-CE2 3.41Å; W31-Y291 AromaticContact NE1-CZ 3.67Å
32Y97.6Very high92.6Very high2 Ų272.4 Ų72.41%0.00837%0.369CS..G310 helixtrans-113.111.5-172.1-51.4-76.2000113H28 D29 H30 F47 S50 K51 Q52 L277 P278H28-Y32 WeakPolarHBondContact O-CD2 3.27Å; D29-Y32 PolarHBondContact O-N 3.04Å; H30-Y32 VanDerWaalsContact C-N 3.26Å; Y32-F47 WeakPolarHBondContact O-CZ 3.31Å; Y32-S50 WeakPolarHBondContact CB-O 3.36Å; Y32-K51 VanDerWaalsContact CE2-C 3.46Å; Y32-Q52 HydrophobicContact CE2-CB 3.91Å; Y32-Q52 VanDerWaalsContact OH-CA 3.27Å; Y32-Q52 WeakPolarHBondContact OH-CA 3.48Å; Y32-Q52 PolarHBondContact OH-N 2.87Å; Y32-L277 HydrophobicContact CD1-CD2 4.06Å; Y32-L277 HydrophobicContact CE1-CD2 3.84Å; Y32-P278 HydrophobicContact CE1-CG 4.36Å
33D96.2Very high93.1Very high63 Ų6366.7 Ų66.734%0.33735%0.345SS..  trans-115.9168.8-179.9-138.7-38.9000111.7K49 R276D33-K49 IonicContact OD2-NZ 2.7Å; D33-K49 PolarHBondContact OD2-NZ 3.06Å; D33-R276 WeakPolarHBondContact O-CD 3.36Å; D33-R276 PolarHBondContact O-NH1 2.9Å
34Y96.1Very high93.5Very high34 Ų3470.4 Ų70.413%0.13336%0.358CS..  trans-144.3161.617871.7-80.4000111.2T36 V39 R44 F47 W252 W274Y34-T36 HydrophobicContact CD2-CG2 4.37Å; Y34-T36 HydrophobicContact CE1-CG2 4.49Å; Y34-T36 HydrophobicContact CE2-CG2 3.75Å; Y34-T36 PolarHBondContact O-N 3.17Å; Y34-V39 HydrophobicContact CD2-CB 4.06Å; Y34-V39 HydrophobicContact CD2-CG2 3.58Å; Y34-V39 HydrophobicContact CE2-CB 3.86Å; Y34-V39 HydrophobicContact CE2-CG1 4.2Å; Y34-V39 HydrophobicContact CE2-CG2 3.92Å; Y34-R44 HydrophobicContact CE2-CG 3.86Å; Y34-R44 WeakPolarHBondContact OH-CB 3.26Å; Y34-R44 VanDerWaalsContact OH-CG 3.3Å; Y34-R44 WeakPolarHBondContact OH-CG 3.2Å; Y34-F47 AromaticContact CD1-CD1 3.78Å; Y34-F47 HydrophobicContact CD1-CD1 3.78Å; Y34-F47 HydrophobicContact CD1-CD2 4.22Å; Y34-F47 AromaticContact CD1-CE1 3.63Å; Y34-F47 HydrophobicContact CD1-CE1 3.63Å; Y34-F47 HydrophobicContact CD1-CE2 4.1Å; Y34-F47 HydrophobicContact CD1-CG 4.04Å; Y34-F47 AromaticContact CD1-CZ 3.8Å; Y34-F47 HydrophobicContact CD1-CZ 3.8Å; Y34-F47 HydrophobicContact CE1-CB 4.17Å; Y34-F47 AromaticContact CE1-CD1 3.33Å; Y34-F47 HydrophobicContact CE1-CD1 3.33Å; Y34-F47 HydrophobicContact CE1-CD2 4.3Å; Y34-F47 AromaticContact CE1-CE1 3.64Å; Y34-F47 HydrophobicContact CE1-CE1 3.64Å; Y34-F47 AromaticContact CE1-CG 3.67Å; Y34-F47 HydrophobicContact CE1-CG 3.67Å; Y34-F47 HydrophobicContact CE1-CZ 4.23Å; Y34-W252 VanDerWaalsContact CB-CH2 3.46Å; Y34-W274 HydrophobicContact CD1-CH2 4.1Å; Y34-W274 HydrophobicContact CD2-CH2 4.24Å; Y34-W274 AromaticContact CG-CH2 3.93Å; Y34-W274 HydrophobicContact CG-CH2 3.93Å
35R96.2Very high94.2Very high88 Ų8874 Ų7433%0.33237%0.372SS..  trans-85.2101.2176.7-67.7174.6-67.1-176.8-1.6110E37 Y38 L251 E253R35-E37 VanDerWaalsContact C-OE2 3.24Å; R35-E37 PolarHBondContact O-N 3.09Å; R35-E37 VanDerWaalsContact O-N 3.09Å; R35-Y38 HydrophobicContact CB-CD2 3.6Å; R35-Y38 HydrophobicContact CB-CE2 4.13Å; R35-Y38 HydrophobicContact CG-CD2 4.48Å; R35-Y38 PolarHBondContact O-N 2.71Å; R35-Y38 VanDerWaalsContact O-N 3.07Å; R35-L251 VanDerWaalsContact CZ-CD2 3.5Å; R35-E253 VanDerWaalsContact CB-OE1 3.31Å; R35-E253 WeakPolarHBondContact CB-OE1 3.16Å; R35-E253 IonicContact CZ-OE1 3.41Å; R35-E253 IonicContact CZ-OE2 2.69Å; R35-E253 PolarHBondContact N-OE1 3.07Å; R35-E253 VanDerWaalsContact N-OE1 3.17Å; R35-E253 IonicContact NE-OE1 3.38Å; R35-E253 PolarHBondContact NE-OE1 3.07Å; R35-E253 IonicContact NE-OE2 3.56Å; R35-E253 PolarHBondContact NE-OE2 3.09Å; R35-E253 IonicContact NH2-OE1 2.66Å; R35-E253 IonicContact NH2-OE2 3.62Å; R35-E253 PolarHBondContact NH2-OE2 3.28Å
36T94.8Very high94.9Very high67 Ų6768.7 Ų68.741%0.41134%0.341SS..G310 helixtrans-57.7-23.1-173.759.10000115.1Y34 Y38 R44Y34-T36 HydrophobicContact CD2-CG2 4.37Å; Y34-T36 HydrophobicContact CE1-CG2 4.49Å; Y34-T36 HydrophobicContact CE2-CG2 3.75Å; Y34-T36 PolarHBondContact O-N 3.17Å; T36-Y38 VanDerWaalsContact C-N 3.3Å; T36-R44 WeakPolarHBondContact O-CD 3.35Å; T36-R44 PolarHBondContact O-NH1 2.91Å
37E95.6Very high95.4Very high127 Ų12768.2 Ų68.259%0.59334%0.335SS*.G310 helixtrans-73.9-17.4179.262.5-89.3-149.700113.6R35R35-E37 VanDerWaalsContact C-OE2 3.24Å; R35-E37 PolarHBondContact O-N 3.09Å; R35-E37 VanDerWaalsContact O-N 3.09Å
38Y95.7Very high95.8Very high94 Ų9464.7 Ų64.737%0.36932%0.316SS..G310 helixtrans-107.76.9-179.5-58.7-59.2000113.5R35 T36 L251R35-Y38 HydrophobicContact CB-CD2 3.6Å; R35-Y38 HydrophobicContact CB-CE2 4.13Å; R35-Y38 HydrophobicContact CG-CD2 4.48Å; R35-Y38 PolarHBondContact O-N 2.71Å; R35-Y38 VanDerWaalsContact O-N 3.07Å; T36-Y38 VanDerWaalsContact C-N 3.3Å; Y38-L251 HydrophobicContact CD1-CD1 4.25Å; Y38-L251 HydrophobicContact CE1-CD1 3.94Å; Y38-L251 HydrophobicContact CE2-CD1 4.32Å
39V95.1Very high95.9Very high7 Ų769.7 Ų69.74%0.04234%0.337CS..SBendtrans-124.2127.2-177.6-179.40000109.9Y34 L43 R44 E253 W274Y34-V39 HydrophobicContact CD2-CB 4.06Å; Y34-V39 HydrophobicContact CD2-CG2 3.58Å; Y34-V39 HydrophobicContact CE2-CB 3.86Å; Y34-V39 HydrophobicContact CE2-CG1 4.2Å; Y34-V39 HydrophobicContact CE2-CG2 3.92Å; V39-L43 HydrophobicContact CG1-CB 3.77Å; V39-L43 HydrophobicContact CG1-CD2 3.9Å; V39-L43 HydrophobicContact CG1-CG 3.84Å; V39-R44 HydrophobicContact CB-CG 3.93Å; V39-R44 HydrophobicContact CG1-CG 3.66Å; V39-R44 WeakPolarHBondContact O-CD 3.39Å; V39-R44 WeakPolarHBondContact O-CG 3.38Å; V39-R44 PolarHBondContact O-NE 2.95Å; V39-E253 HydrophobicContact CG2-CB 3.84Å; V39-E253 HydrophobicContact CG2-CG 3.82Å; V39-W274 HydrophobicContact CG1-CZ2 4.2Å
40D93.2Very high96.1Very high96 Ų9665.2 Ų65.251%0.51331%0.314SS..  trans-61147.6-179.1-63.2-47.3000112.3E42 L43 R44D40-E42 VanDerWaalsContact C-N 3.33Å; D40-E42 PolarHBondContact O-N 3.23Å; D40-L43 PolarHBondContact O-N 3.14Å; D40-R44 WeakPolarHBondContact O-CG 3.4Å; D40-R44 PolarHBondContact O-N 2.94Å
41S94.6Very high96.2Very high76 Ų7666 Ų6653%0.53132%0.316SS..Hα-helixtrans-48.6-48.7-177.956.70000114L43 R44 D45S41-L43 VanDerWaalsContact C-N 3.27Å; S41-L43 PolarHBondContact O-N 2.92Å; S41-R44 WeakPolarHBondContact O-CB 3.45Å; S41-R44 PolarHBondContact O-N 3.37Å; S41-R44 VanDerWaalsContact O-N 3.14Å; S41-D45 PolarHBondContact O-N 3.4Å; S41-D45 VanDerWaalsContact O-N 3.14Å
42E94.5Very high96.3Very high128 Ų12867.4 Ų67.460%0.59832%0.323SS*.Hα-helixtrans-59.6-37.3178.9-168.7-167.9154.500112.6D40 K46D40-E42 VanDerWaalsContact C-N 3.33Å; D40-E42 PolarHBondContact O-N 3.23Å; E42-K46 WeakPolarHBondContact O-CG 3.29Å; E42-K46 IonicContact OE1-NZ 2.72Å; E42-K46 PolarHBondContact OE1-NZ 3.15Å
43L96Very high96.2Very high14 Ų1468.3 Ų68.37%0.07333%0.328CS..Hα-helixtrans-75.9-35.4178.9-17158.2000110.9V39 D40 S41 D45 K46 F47 L256 I260 V271 W274V39-L43 HydrophobicContact CG1-CB 3.77Å; V39-L43 HydrophobicContact CG1-CD2 3.9Å; V39-L43 HydrophobicContact CG1-CG 3.84Å; D40-L43 PolarHBondContact O-N 3.14Å; S41-L43 VanDerWaalsContact C-N 3.27Å; S41-L43 PolarHBondContact O-N 2.92Å; L43-D45 VanDerWaalsContact C-N 3.3Å; L43-D45 PolarHBondContact O-N 2.8Å; L43-K46 PolarHBondContact O-N 3.47Å; L43-K46 VanDerWaalsContact O-N 3.11Å; L43-F47 PolarHBondContact O-N 3.34Å; L43-L256 HydrophobicContact CD2-CD2 3.95Å; L43-L256 HydrophobicContact CD2-CG 3.98Å; L43-I260 HydrophobicContact CD1-CD1 3.74Å; L43-I260 HydrophobicContact CD2-CD1 3.46Å; L43-I260 VanDerWaalsContact CD2-CD1 3.46Å; L43-I260 HydrophobicContact CG-CD1 4.29Å; L43-V271 HydrophobicContact CD1-CG1 4.18Å; L43-W274 VanDerWaalsContact CD1-CD1 3.44Å; L43-W274 HydrophobicContact CD1-CG 4.21Å; L43-W274 HydrophobicContact CG-CZ2 4.3Å; L43-W274 PolarHBondContact O-NE1 3.24Å
44R97.1Very high96.3Very high101 Ų10173.5 Ų73.538%0.38135%0.35SS..Hα-helixtrans-59.4-40.8175-66.1-170-68.3-178.63112.3Y34 T36 V39 D40 S41 K46 F47Y34-R44 HydrophobicContact CE2-CG 3.86Å; Y34-R44 WeakPolarHBondContact OH-CB 3.26Å; Y34-R44 VanDerWaalsContact OH-CG 3.3Å; Y34-R44 WeakPolarHBondContact OH-CG 3.2Å; T36-R44 WeakPolarHBondContact O-CD 3.35Å; T36-R44 PolarHBondContact O-NH1 2.91Å; V39-R44 HydrophobicContact CB-CG 3.93Å; V39-R44 HydrophobicContact CG1-CG 3.66Å; V39-R44 WeakPolarHBondContact O-CD 3.39Å; V39-R44 WeakPolarHBondContact O-CG 3.38Å; V39-R44 PolarHBondContact O-NE 2.95Å; D40-R44 WeakPolarHBondContact O-CG 3.4Å; D40-R44 PolarHBondContact O-N 2.94Å; S41-R44 WeakPolarHBondContact O-CB 3.45Å; S41-R44 PolarHBondContact O-N 3.37Å; S41-R44 VanDerWaalsContact O-N 3.14Å; R44-K46 PolarHBondContact O-N 3.2Å; R44-F47 WeakPolarHBondContact O-CB 3.47Å; R44-F47 PolarHBondContact O-N 3.03Å; R44-F47 VanDerWaalsContact O-N 3.12Å
45D96.9Very high96.3Very high141 Ų14174.5 Ų74.575%0.75436%0.356SS*.Hα-helixtrans-66.6-21.2178.9-66.8-18.4000112.9S41 L43S41-D45 PolarHBondContact O-N 3.4Å; S41-D45 VanDerWaalsContact O-N 3.14Å; L43-D45 VanDerWaalsContact C-N 3.3Å; L43-D45 PolarHBondContact O-N 2.8Å
46K97.7Very high96.3Very high47 Ų4770.3 Ų70.320%0.20434%0.341CS..THydrogen-bonded Turntrans-91.8-2.2177.7-63.6172.5-175.3177.70113.3E42 L43 R44 V271 R273 W274E42-K46 WeakPolarHBondContact O-CG 3.29Å; E42-K46 IonicContact OE1-NZ 2.72Å; E42-K46 PolarHBondContact OE1-NZ 3.15Å; L43-K46 PolarHBondContact O-N 3.47Å; L43-K46 VanDerWaalsContact O-N 3.11Å; R44-K46 PolarHBondContact O-N 3.2Å; K46-V271 HydrophobicContact CD-CB 4.34Å; K46-V271 HydrophobicContact CD-CG1 4.26Å; K46-V271 VanDerWaalsContact CD-O 3.32Å; K46-V271 WeakPolarHBondContact CD-O 3.31Å; K46-V271 WeakPolarHBondContact CE-O 3.4Å; K46-V271 PolarHBondContact NZ-O 3.38Å; K46-R273 WeakPolarHBondContact O-CA 3.4Å; K46-W274 PolarHBondContact O-N 3.15Å
47F98.3Very high96.3Very high28 Ų2869.7 Ų69.712%0.12334%0.338CS..BIsolated β-bridgetrans-77.8127.6-178.2-179.4-112.3000112Y32 Y34 L43 R44 K49 W274 R276Y32-F47 WeakPolarHBondContact O-CZ 3.31Å; Y34-F47 AromaticContact CD1-CD1 3.78Å; Y34-F47 HydrophobicContact CD1-CD1 3.78Å; Y34-F47 HydrophobicContact CD1-CD2 4.22Å; Y34-F47 AromaticContact CD1-CE1 3.63Å; Y34-F47 HydrophobicContact CD1-CE1 3.63Å; Y34-F47 HydrophobicContact CD1-CE2 4.1Å; Y34-F47 HydrophobicContact CD1-CG 4.04Å; Y34-F47 AromaticContact CD1-CZ 3.8Å; Y34-F47 HydrophobicContact CD1-CZ 3.8Å; Y34-F47 HydrophobicContact CE1-CB 4.17Å; Y34-F47 AromaticContact CE1-CD1 3.33Å; Y34-F47 HydrophobicContact CE1-CD1 3.33Å; Y34-F47 HydrophobicContact CE1-CD2 4.3Å; Y34-F47 AromaticContact CE1-CE1 3.64Å; Y34-F47 HydrophobicContact CE1-CE1 3.64Å; Y34-F47 AromaticContact CE1-CG 3.67Å; Y34-F47 HydrophobicContact CE1-CG 3.67Å; Y34-F47 HydrophobicContact CE1-CZ 4.23Å; L43-F47 PolarHBondContact O-N 3.34Å; R44-F47 WeakPolarHBondContact O-CB 3.47Å; R44-F47 PolarHBondContact O-N 3.03Å; R44-F47 VanDerWaalsContact O-N 3.12Å; F47-K49 HydrophobicContact CD1-CB 4.36Å; F47-K49 HydrophobicContact CE1-CB 3.72Å; F47-K49 HydrophobicContact CE1-CG 4.19Å; F47-K49 HydrophobicContact CZ-CB 4.42Å; F47-W274 WeakPolarHBondContact CA-O 2.94Å; F47-W274 HydrophobicContact CB-CD2 4.47Å; F47-W274 HydrophobicContact CB-CH2 4.48Å; F47-W274 HydrophobicContact CB-CZ2 3.71Å; F47-W274 AromaticContact CD2-CD2 3.68Å; F47-W274 HydrophobicContact CD2-CD2 3.68Å; F47-W274 AromaticContact CD2-CE2 3.57Å; F47-W274 AromaticContact CD2-CE3 3.6Å; F47-W274 HydrophobicContact CD2-CE3 3.6Å; F47-W274 AromaticContact CD2-CH2 3.4Å; F47-W274 HydrophobicContact CD2-CH2 3.4Å; F47-W274 VanDerWaalsContact CD2-CH2 3.4Å; F47-W274 AromaticContact CD2-CZ2 3.45Å; F47-W274 HydrophobicContact CD2-CZ2 3.45Å; F47-W274 VanDerWaalsContact CD2-CZ2 3.45Å; F47-W274 AromaticContact CD2-CZ3 3.47Å; F47-W274 HydrophobicContact CD2-CZ3 3.47Å; F47-W274 VanDerWaalsContact CD2-CZ3 3.47Å; F47-W274 HydrophobicContact CE2-CD2 4.49Å; F47-W274 AromaticContact CE2-CE3 3.98Å; F47-W274 HydrophobicContact CE2-CE3 3.98Å; F47-W274 AromaticContact CE2-CH2 3.82Å; F47-W274 HydrophobicContact CE2-CH2 3.82Å; F47-W274 HydrophobicContact CE2-CZ2 4.33Å; F47-W274 AromaticContact CE2-CZ3 3.62Å; F47-W274 HydrophobicContact CE2-CZ3 3.62Å; F47-W274 HydrophobicContact CG-CH2 4.14Å; F47-W274 AromaticContact CG-CZ2 3.86Å; F47-W274 HydrophobicContact CG-CZ2 3.86Å; F47-R276 HydrophobicContact CE2-CB 4.26Å
48I98Very high96.3Very high37 Ų3770 Ų7019%0.1934%0.338CS..  trans-108.5104.6174.7-52.2-57.9000108.8S50 R111 L112 R273 W274 T275I48-S50 PolarHBondContact O-N 3.19Å; I48-R111 HydrophobicContact CG2-CG 3.82Å; I48-L112 HydrophobicContact CB-CD1 4.48Å; I48-L112 HydrophobicContact CG1-CD1 4.47Å; I48-R273 HydrophobicContact CD1-CG 4.47Å; I48-R273 HydrophobicContact CG1-CB 4.09Å; I48-R273 HydrophobicContact CG1-CG 4.25Å; I48-W274 PolarHBondContact N-O 2.81Å; I48-T275 VanDerWaalsContact O-CB 3.27Å; I48-T275 WeakPolarHBondContact O-CB 3.45Å; I48-T275 PolarHBondContact O-OG1 3.44Å
49K97.2Very high96.1Very high105 Ų10566.5 Ų66.546%0.45732%0.324SS..  trans-64.7122.6178.8-171.3160.7-176.5166.80110.9D33 F47D33-K49 IonicContact OD2-NZ 2.7Å; D33-K49 PolarHBondContact OD2-NZ 3.06Å; F47-K49 HydrophobicContact CD1-CB 4.36Å; F47-K49 HydrophobicContact CE1-CB 3.72Å; F47-K49 HydrophobicContact CE1-CG 4.19Å; F47-K49 HydrophobicContact CZ-CB 4.42Å
50S97.3Very high96Very high10 Ų1066.4 Ų66.47%0.0732%0.323CS..  trans-95.2-176.6174-174.70000110.6Y32 I48 Q108 L277Y32-S50 WeakPolarHBondContact CB-O 3.36Å; I48-S50 PolarHBondContact O-N 3.19Å; S50-Q108 WeakPolarHBondContact OG-CG 3.49Å; S50-Q108 PolarHBondContact OG-NE2 3.34Å; S50-L277 VanDerWaalsContact OG-CD2 3.31Å; S50-L277 WeakPolarHBondContact OG-CD2 3.47Å
51K97Very high95.9Very high116 Ų11667.3 Ų67.350%0.50433%0.325SS..  trans-157.8164175.762.6176.9-176.5171.90110.4Y32 D53 Q108Y32-K51 VanDerWaalsContact CE2-C 3.46Å; K51-D53 PolarHBondContact O-N 2.82Å; K51-Q108 PolarHBondContact O-NE2 2.79Å
52Q97.1Very high95.6Very high34 Ų3467 Ų6716%0.15932%0.317CS..  trans-69.5103.1168-172.5179.9-54.700108.5N27 H28 Y32 T56 C57 L60N27-Q52 WeakPolarHBondContact O-CB 3.41Å; N27-Q52 PolarHBondContact O-OE1 2.81Å; H28-Q52 PolarHBondContact ND1-OE1 3.48Å; Y32-Q52 HydrophobicContact CE2-CB 3.91Å; Y32-Q52 VanDerWaalsContact OH-CA 3.27Å; Y32-Q52 WeakPolarHBondContact OH-CA 3.48Å; Y32-Q52 PolarHBondContact OH-N 2.87Å; Q52-T56 HydrophobicContact CG-CG2 3.89Å; Q52-C57 PolarHBondContact NE2-SG 2.83Å; Q52-L60 HydrophobicContact CG-CD1 4.39Å
53D96.7Very high95.3Very high22 Ų2261 Ų6112%0.11829%0.289CS..  trans-97.8-177179.767.5-0.4000112.1K51 E55 T56 C57 S105K51-D53 PolarHBondContact O-N 2.82Å; D53-E55 PolarHBondContact O-N 2.46Å; D53-T56 PolarHBondContact O-N 3.41Å; D53-T56 WeakPolarHBondContact OD1-CB 3.34Å; D53-T56 PolarHBondContact OD1-N 3.32Å; D53-T56 PolarHBondContact OD1-OG1 2.91Å; D53-C57 WeakPolarHBondContact O-CB 3.27Å; D53-C57 PolarHBondContact O-N 3.07Å; D53-C57 PolarHBondContact O-SG 3.29Å; D53-S105 WeakPolarHBondContact OD1-CB 3.48Å; D53-S105 WeakPolarHBondContact OD2-CB 3.38Å; D53-S105 PolarHBondContact OD2-OG 3.1Å
54E96.7Very high94.8Very high172 Ų17262.1 Ų62.180%0.80429%0.293SS*.Hα-helixtrans-57.7-43.3-174.2-172.1-179169.700113.2C57 K58E54-C57 PolarHBondContact O-N 3.08Å; E54-K58 WeakPolarHBondContact O-CB 3.31Å; E54-K58 PolarHBondContact O-N 2.64Å
55E96.6Very high94Very high55 Ų5560.8 Ų60.826%0.25729%0.293SS..Hα-helixtrans-68.7-37.6178.6-71.7-165.7-117.100111.9D53 K58 F59 S106 K137D53-E55 PolarHBondContact O-N 2.46Å; E55-K58 PolarHBondContact O-N 2.99Å; E55-F59 PolarHBondContact O-N 2.64Å; E55-S106 WeakPolarHBondContact OE1-CB 3.23Å; E55-S106 PolarHBondContact OE1-N 3.06Å; E55-S106 PolarHBondContact OE1-OG 2.99Å; E55-K137 WeakPolarHBondContact OE2-CE 3.43Å; E55-K137 IonicContact OE2-NZ 2.67Å; E55-K137 PolarHBondContact OE2-NZ 3.47Å
56T95.9Very high93Very high0 Ų058.4 Ų58.40%028%0.275CS..Hα-helixtrans-65.1-46.6174.9-50.30000110.6Q52 D53 K58 F59 L60 F102 Q108 L280Q52-T56 HydrophobicContact CG-CG2 3.89Å; D53-T56 PolarHBondContact O-N 3.41Å; D53-T56 WeakPolarHBondContact OD1-CB 3.34Å; D53-T56 PolarHBondContact OD1-N 3.32Å; D53-T56 PolarHBondContact OD1-OG1 2.91Å; T56-K58 VanDerWaalsContact C-N 3.31Å; T56-K58 PolarHBondContact O-N 3.42Å; T56-F59 WeakPolarHBondContact O-CB 3.4Å; T56-F59 PolarHBondContact O-N 3.06Å; T56-L60 HydrophobicContact CG2-CD1 4.44Å; T56-L60 WeakPolarHBondContact O-CG 3.29Å; T56-L60 PolarHBondContact O-N 3.18Å; T56-F102 HydrophobicContact CG2-CE1 4.13Å; T56-F102 HydrophobicContact CG2-CZ 4.42Å; T56-Q108 PolarHBondContact OG1-NE2 2.8Å; T56-L280 HydrophobicContact CG2-CD1 4.03Å
57C95.4Very high91.8Very high54 Ų5456.3 Ų56.337%0.36527%0.267SS..Hα-helixtrans-55.2-47.1174.1-730000111.3Q52 D53 E54 F59 L60 E61Q52-C57 PolarHBondContact NE2-SG 2.83Å; D53-C57 WeakPolarHBondContact O-CB 3.27Å; D53-C57 PolarHBondContact O-N 3.07Å; D53-C57 PolarHBondContact O-SG 3.29Å; E54-C57 PolarHBondContact O-N 3.08Å; C57-F59 VanDerWaalsContact C-N 3.33Å; C57-F59 PolarHBondContact O-N 2.87Å; C57-L60 PolarHBondContact O-N 3.1Å; C57-E61 WeakPolarHBondContact O-CB 3.32Å; C57-E61 PolarHBondContact O-N 2.62Å
58K94.6Very high90.2Very high133 Ų13359.2 Ų59.258%0.57828%0.284SS*.Hα-helixtrans-63.8-37.6178.6-173.5175-176.8173.90112.3E54 E55 T56 N62E54-K58 WeakPolarHBondContact O-CB 3.31Å; E54-K58 PolarHBondContact O-N 2.64Å; E55-K58 PolarHBondContact O-N 2.99Å; T56-K58 VanDerWaalsContact C-N 3.31Å; T56-K58 PolarHBondContact O-N 3.42Å; K58-N62 WeakPolarHBondContact O-CB 3.34Å; K58-N62 VanDerWaalsContact O-CG 3.22Å; K58-N62 PolarHBondContact O-N 2.9Å; K58-N62 PolarHBondContact O-ND2 2.66Å; K58-N62 VanDerWaalsContact O-ND2 3.07Å
59F92.7Very high88.3Confident21 Ų2165 Ų659%0.09230%0.303CS..Hα-helixtrans-62.5-48.5173.9-177.1-90.7000111.1E55 T56 C57 E61 N62 C63 F102 L280 E282E55-F59 PolarHBondContact O-N 2.64Å; T56-F59 WeakPolarHBondContact O-CB 3.4Å; T56-F59 PolarHBondContact O-N 3.06Å; C57-F59 VanDerWaalsContact C-N 3.33Å; C57-F59 PolarHBondContact O-N 2.87Å; F59-E61 PolarHBondContact O-N 3.23Å; F59-N62 WeakPolarHBondContact O-CB 3.45Å; F59-N62 PolarHBondContact O-N 3.01Å; F59-C63 WeakPolarHBondContact CE1-SG 3.48Å; F59-C63 PolarHBondContact O-N 3.25Å; F59-C63 PolarHBondContact O-SG 2.83Å; F59-C63 VanDerWaalsContact O-SG 3.32Å; F59-F102 HydrophobicContact CB-CD2 3.86Å; F59-F102 HydrophobicContact CB-CE2 4.17Å; F59-F102 HydrophobicContact CB-CG 4.37Å; F59-F102 HydrophobicContact CD1-CB 3.95Å; F59-F102 HydrophobicContact CD1-CG 4.25Å; F59-F102 HydrophobicContact CD2-CB 3.75Å; F59-F102 AromaticContact CD2-CD2 3.79Å; F59-F102 HydrophobicContact CD2-CD2 3.79Å; F59-F102 HydrophobicContact CD2-CG 4.11Å; F59-F102 HydrophobicContact CE1-CB 3.88Å; F59-F102 HydrophobicContact CE2-CB 3.67Å; F59-F102 HydrophobicContact CG-CB 3.89Å; F59-F102 AromaticContact CG-CD2 3.79Å; F59-F102 HydrophobicContact CG-CD2 3.79Å; F59-F102 AromaticContact CG-CG 3.97Å; F59-F102 HydrophobicContact CG-CG 3.97Å; F59-F102 HydrophobicContact CZ-CB 3.73Å; F59-L280 HydrophobicContact CD1-CB 4.14Å; F59-L280 HydrophobicContact CD1-CD1 4.16Å; F59-L280 HydrophobicContact CE1-CB 3.69Å; F59-E282 HydrophobicContact CZ-CG 4.3Å
60L92.6Very high86.3Confident4 Ų463.5 Ų63.52%0.02130%0.3CS..Hα-helixtrans-61.6-42.6177.9-65.6172.7000112.2W31 Q52 T56 C57 N62 C63 Y64 L280 F289W31-L60 HydrophobicContact CH2-CD2 4.49Å; W31-L60 HydrophobicContact CZ3-CD1 4.3Å; Q52-L60 HydrophobicContact CG-CD1 4.39Å; T56-L60 HydrophobicContact CG2-CD1 4.44Å; T56-L60 WeakPolarHBondContact O-CG 3.29Å; T56-L60 PolarHBondContact O-N 3.18Å; C57-L60 PolarHBondContact O-N 3.1Å; L60-N62 VanDerWaalsContact C-N 3.35Å; L60-N62 PolarHBondContact O-N 3.24Å; L60-C63 VanDerWaalsContact O-CB 3.31Å; L60-C63 WeakPolarHBondContact O-CB 3.22Å; L60-C63 PolarHBondContact O-N 3.02Å; L60-C63 VanDerWaalsContact O-N 3.13Å; L60-Y64 HydrophobicContact CB-CE2 4.29Å; L60-Y64 WeakPolarHBondContact O-CD2 3.39Å; L60-Y64 PolarHBondContact O-N 3.28Å; L60-L280 HydrophobicContact CD2-CD1 4.03Å; L60-L280 HydrophobicContact CD2-CD2 3.93Å; L60-F289 HydrophobicContact CD2-CD1 3.91Å; L60-F289 HydrophobicContact CD2-CD2 4.03Å; L60-F289 HydrophobicContact CD2-CE1 3.87Å; L60-F289 HydrophobicContact CD2-CE2 3.99Å; L60-F289 HydrophobicContact CD2-CG 4Å; L60-F289 HydrophobicContact CD2-CZ 3.91Å
61E90.8Very high83.9Confident115 Ų11571.5 Ų71.554%0.53733%0.334SS..Hα-helixtrans-59.6-45.3175.2-170.9178.1-167.300111.6C57 F59 C63 Y64 I65C57-E61 WeakPolarHBondContact O-CB 3.32Å; C57-E61 PolarHBondContact O-N 2.62Å; F59-E61 PolarHBondContact O-N 3.23Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 2.82Å; E61-Y64 WeakPolarHBondContact O-CB 3.35Å; E61-Y64 PolarHBondContact O-N 3.42Å; E61-Y64 VanDerWaalsContact O-N 3.14Å; E61-I65 HydrophobicContact CG-CD1 4.05Å; E61-I65 WeakPolarHBondContact O-CG1 3.21Å; E61-I65 PolarHBondContact O-N 3.12Å
62N88.9Confident81.8Confident70 Ų7067.9 Ų67.937%0.37432%0.321SS..Hα-helixtrans-61.9-37.2174.5-73.8-34.2000112.3K58 F59 L60 I65 K66K58-N62 WeakPolarHBondContact O-CB 3.34Å; K58-N62 VanDerWaalsContact O-CG 3.22Å; K58-N62 PolarHBondContact O-N 2.9Å; K58-N62 PolarHBondContact O-ND2 2.66Å; K58-N62 VanDerWaalsContact O-ND2 3.07Å; F59-N62 WeakPolarHBondContact O-CB 3.45Å; F59-N62 PolarHBondContact O-N 3.01Å; L60-N62 VanDerWaalsContact C-N 3.35Å; L60-N62 PolarHBondContact O-N 3.24Å; N62-I65 PolarHBondContact O-N 3.44Å; N62-K66 VanDerWaalsContact O-CB 3.28Å; N62-K66 WeakPolarHBondContact O-CB 3.2Å; N62-K66 VanDerWaalsContact O-CG 3.31Å; N62-K66 WeakPolarHBondContact O-CG 3.31Å; N62-K66 PolarHBondContact O-N 3.16Å
63C87.4Confident79.7Confident2 Ų267 Ų671%0.01432%0.317CS..Hα-helixtrans-62.2-43173.4-70.30000111.8F59 L60 E61 S67 S288 F289F59-C63 WeakPolarHBondContact CE1-SG 3.48Å; F59-C63 PolarHBondContact O-N 3.25Å; F59-C63 PolarHBondContact O-SG 2.83Å; F59-C63 VanDerWaalsContact O-SG 3.32Å; L60-C63 VanDerWaalsContact O-CB 3.31Å; L60-C63 WeakPolarHBondContact O-CB 3.22Å; L60-C63 PolarHBondContact O-N 3.02Å; L60-C63 VanDerWaalsContact O-N 3.13Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 2.82Å; C63-S67 VanDerWaalsContact O-CB 3.24Å; C63-S67 WeakPolarHBondContact O-CB 3.5Å; C63-S67 PolarHBondContact O-N 3.38Å; C63-S67 PolarHBondContact O-OG 2.77Å; C63-S288 WeakPolarHBondContact CB-O 3.15Å; C63-F289 HydrophobicContact CB-CB 3.97Å
64Y85.4Confident77.6Confident37 Ų3771.6 Ų71.615%0.14534%0.336CS..Hα-helixtrans-61-52.5174.6-61.1-50.5000111.3Q20 H23 L60 E61 K66 S67 D68 S288 F289Q20-Y64 HydrophobicContact CG-CD1 3.9Å; Q20-Y64 HydrophobicContact CG-CE1 4.13Å; H23-Y64 WeakPolarHBondContact CB-OH 3.49Å; L60-Y64 HydrophobicContact CB-CE2 4.29Å; L60-Y64 WeakPolarHBondContact O-CD2 3.39Å; L60-Y64 PolarHBondContact O-N 3.28Å; E61-Y64 WeakPolarHBondContact O-CB 3.35Å; E61-Y64 PolarHBondContact O-N 3.42Å; E61-Y64 VanDerWaalsContact O-N 3.14Å; Y64-K66 PolarHBondContact O-N 2.82Å; Y64-S67 PolarHBondContact O-N 2.99Å; Y64-S67 PolarHBondContact O-OG 3.38Å; Y64-D68 PolarHBondContact O-N 3.31Å; Y64-D68 VanDerWaalsContact O-N 3.15Å; Y64-S288 VanDerWaalsContact CD1-CB 3.44Å; Y64-F289 HydrophobicContact CE1-CD1 4.13Å; Y64-F289 AromaticContact CE1-CE1 3.87Å; Y64-F289 HydrophobicContact CE1-CE1 3.87Å; Y64-F289 AromaticContact CZ-CE1 3.87Å; Y64-F289 WeakPolarHBondContact OH-CE1 3.35Å
65I81.4Confident75.3Confident74 Ų7471 Ų7138%0.37933%0.328SS..Hα-helixtrans-58-50.1-179.9-65.8166.8000111.1E61 N62 S67 D68 W69E61-I65 HydrophobicContact CG-CD1 4.05Å; E61-I65 WeakPolarHBondContact O-CG1 3.21Å; E61-I65 PolarHBondContact O-N 3.12Å; N62-I65 PolarHBondContact O-N 3.44Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 3.13Å; I65-D68 WeakPolarHBondContact O-CB 3.44Å; I65-D68 PolarHBondContact O-N 3.39Å; I65-D68 VanDerWaalsContact O-N 3.11Å; I65-W69 PolarHBondContact O-N 3.25Å
66K76Confident73.2Confident90 Ų9070.4 Ų70.439%0.39133%0.325SS..Hα-helixtrans-61.1-41.6179.9-77.1-176.6177.8-174.10111.3N62 Y64 D68 W69 H73 E282N62-K66 VanDerWaalsContact O-CB 3.28Å; N62-K66 WeakPolarHBondContact O-CB 3.2Å; N62-K66 VanDerWaalsContact O-CG 3.31Å; N62-K66 WeakPolarHBondContact O-CG 3.31Å; N62-K66 PolarHBondContact O-N 3.16Å; Y64-K66 PolarHBondContact O-N 2.82Å; K66-D68 PolarHBondContact O-N 2.98Å; K66-W69 WeakPolarHBondContact O-CB 3.2Å; K66-W69 PolarHBondContact O-N 3.25Å; K66-W69 VanDerWaalsContact O-N 3.08Å; K66-H73 PolarHBondContact O-NE2 3.25Å; K66-E282 WeakPolarHBondContact CD-OE1 3.48Å; K66-E282 WeakPolarHBondContact CE-OE1 3.36Å; K66-E282 IonicContact NZ-OE1 3.87Å; K66-E282 PolarHBondContact NZ-OE1 3.41Å; K66-E282 IonicContact NZ-OE2 3.86Å
67S72.5Confident71.2Confident4 Ų472.7 Ų72.73%0.02834%0.344CS..Hα-helixtrans-62.3-28.9178.576.90000112.5K16 C63 Y64 I65 W69 S288K16-S67 WeakPolarHBondContact CE-OG 3.18Å; K16-S67 PolarHBondContact NZ-O 3.11Å; K16-S67 PolarHBondContact NZ-OG 3.28Å; C63-S67 VanDerWaalsContact O-CB 3.24Å; C63-S67 WeakPolarHBondContact O-CB 3.5Å; C63-S67 PolarHBondContact O-N 3.38Å; C63-S67 PolarHBondContact O-OG 2.77Å; Y64-S67 PolarHBondContact O-N 2.99Å; Y64-S67 PolarHBondContact O-OG 3.38Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 3.13Å; S67-W69 VanDerWaalsContact C-N 3.29Å; S67-S288 PolarHBondContact OG-OG 3.39Å
68D64.4Low68.8Low88 Ų8875.4 Ų75.447%0.47135%0.353SS..Hα-helixtrans-76.4-14.8177.8-68.9-17.5000113.5K16 Q20 Y64 I65 K66 L70K16-D68 WeakPolarHBondContact CE-OD1 3.26Å; K16-D68 IonicContact NZ-OD1 2.67Å; K16-D68 PolarHBondContact NZ-OD1 3.1Å; Q20-D68 PolarHBondContact NE2-OD1 2.86Å; Y64-D68 PolarHBondContact O-N 3.31Å; Y64-D68 VanDerWaalsContact O-N 3.15Å; I65-D68 WeakPolarHBondContact O-CB 3.44Å; I65-D68 PolarHBondContact O-N 3.39Å; I65-D68 VanDerWaalsContact O-N 3.11Å; K66-D68 PolarHBondContact O-N 2.98Å; D68-L70 PolarHBondContact O-N 3.03Å
69W58.7Low66.6Low158 Ų15869.9 Ų69.960%0.59833%0.333SS*.  trans-79.859.1177.3-71.328.3000111.4I65 K66 S67 F71 T72 H73I65-W69 PolarHBondContact O-N 3.25Å; K66-W69 WeakPolarHBondContact O-CB 3.2Å; K66-W69 PolarHBondContact O-N 3.25Å; K66-W69 VanDerWaalsContact O-N 3.08Å; S67-W69 VanDerWaalsContact C-N 3.29Å; W69-F71 PolarHBondContact O-N 3.46Å; W69-T72 HydrophobicContact CB-CG2 4.17Å; W69-T72 VanDerWaalsContact CB-OG1 3.32Å; W69-T72 WeakPolarHBondContact CB-OG1 3.27Å; W69-T72 HydrophobicContact CD2-CG2 4.48Å; W69-T72 HydrophobicContact CE3-CG2 3.61Å; W69-T72 HydrophobicContact CZ3-CG2 4.37Å; W69-T72 PolarHBondContact O-N 3.29Å; W69-T72 PolarHBondContact O-OG1 2.91Å; W69-H73 PolarHBondContact O-CD2 2.87Å; W69-H73 PolarHBondContact O-N 3.47Å
70L53.5Low64.7Low75 Ų7571.9 Ų71.939%0.39334%0.341SS..Hα-helixtrans-43.5-42.2-176.8-70.7168.4000113.1D68 H73 F74D68-L70 PolarHBondContact O-N 3.03Å; L70-H73 PolarHBondContact O-N 2.87Å; L70-F74 WeakPolarHBondContact O-CD2 3.27Å; L70-F74 PolarHBondContact O-N 2.66Å
71F47.8Very low62.3Low178 Ų17874.9 Ų74.978%0.78137%0.367SS*.Hα-helixtrans-70-34.1-179.6-69.1-74000114.1W69 H73 F74 Y75W69-F71 PolarHBondContact O-N 3.46Å; F71-H73 VanDerWaalsContact C-N 3.29Å; F71-H73 PolarHBondContact O-N 3.03Å; F71-F74 PolarHBondContact O-N 2.84Å; F71-Y75 PolarHBondContact O-N 3.04Å
72T53.7Low59.9Low40 Ų4073.7 Ų73.725%0.24537%0.367CS..Hα-helixtrans-66.4-38172.465.80000110.1W69 F74 Y75 H76 R98W69-T72 HydrophobicContact CB-CG2 4.17Å; W69-T72 VanDerWaalsContact CB-OG1 3.32Å; W69-T72 WeakPolarHBondContact CB-OG1 3.27Å; W69-T72 HydrophobicContact CD2-CG2 4.48Å; W69-T72 HydrophobicContact CE3-CG2 3.61Å; W69-T72 HydrophobicContact CZ3-CG2 4.37Å; W69-T72 PolarHBondContact O-N 3.29Å; W69-T72 PolarHBondContact O-OG1 2.91Å; T72-F74 VanDerWaalsContact C-N 3.31Å; T72-F74 PolarHBondContact O-N 3.01Å; T72-Y75 PolarHBondContact O-N 3.4Å; T72-Y75 VanDerWaalsContact O-N 3.16Å; T72-H76 WeakPolarHBondContact O-CB 3.41Å; T72-H76 PolarHBondContact O-CD2 2.89Å; T72-H76 VanDerWaalsContact O-CG 3.31Å; T72-H76 PolarHBondContact O-N 3.05Å; T72-R98 PolarHBondContact OG1-NH2 2.78Å
73H52.3Low57.7Low15 Ų1572.3 Ų72.37%0.06936%0.36CS..Hα-helixtrans-63.5-35176.7-70.1-91.3000113.4K66 W69 L70 F71 A77 R98 F285K66-H73 PolarHBondContact O-NE2 3.25Å; W69-H73 PolarHBondContact O-CD2 2.87Å; W69-H73 PolarHBondContact O-N 3.47Å; L70-H73 PolarHBondContact O-N 2.87Å; F71-H73 VanDerWaalsContact C-N 3.29Å; F71-H73 PolarHBondContact O-N 3.03Å; H73-A77 VanDerWaalsContact O-CB 3.25Å; H73-A77 WeakPolarHBondContact O-CB 3.49Å; H73-A77 PolarHBondContact O-N 3.01Å; H73-R98 PolarHBondContact ND1-NH1 2.95Å; H73-F285 HydrophobicContact CB-CD1 3.92Å; H73-F285 HydrophobicContact CB-CE1 3.17Å; H73-F285 HydrophobicContact CB-CE2 3.95Å; H73-F285 HydrophobicContact CB-CZ 3.22Å
74F52Low56Low118 Ų11875.4 Ų75.452%0.51838%0.379SS..Hα-helixtrans-63.7-49.2169.3-82.4-75.5000112.3L70 F71 T72 H76 A77 I78L70-F74 WeakPolarHBondContact O-CD2 3.27Å; L70-F74 PolarHBondContact O-N 2.66Å; F71-F74 PolarHBondContact O-N 2.84Å; T72-F74 VanDerWaalsContact C-N 3.31Å; T72-F74 PolarHBondContact O-N 3.01Å; F74-H76 VanDerWaalsContact C-N 3.27Å; F74-H76 PolarHBondContact O-N 3.2Å; F74-A77 PolarHBondContact O-N 2.93Å; F74-I78 VanDerWaalsContact O-CG1 3.3Å; F74-I78 WeakPolarHBondContact O-CG1 3.45Å; F74-I78 PolarHBondContact O-N 2.9Å
75Y48Very low53.6Low161 Ų16183.6 Ų83.663%0.63141%0.41SS*.Hα-helixtrans-56.8-43.9177.4175.2-98.7000111.6F71 T72 I78 A79F71-Y75 PolarHBondContact O-N 3.04Å; T72-Y75 PolarHBondContact O-N 3.4Å; T72-Y75 VanDerWaalsContact O-N 3.16Å; Y75-I78 PolarHBondContact O-N 3.48Å; Y75-A79 VanDerWaalsContact O-CB 3.27Å; Y75-A79 WeakPolarHBondContact O-CB 3.5Å; Y75-A79 PolarHBondContact O-N 2.8Å
76H53.3Low51.4Low41 Ų4187 Ų8719%0.1942%0.422CS..Hα-helixtrans-75.2-29.1-179.9-69.9-61.7000113.3T72 F74 K80 V96 R98T72-H76 WeakPolarHBondContact O-CB 3.41Å; T72-H76 PolarHBondContact O-CD2 2.89Å; T72-H76 VanDerWaalsContact O-CG 3.31Å; T72-H76 PolarHBondContact O-N 3.05Å; F74-H76 VanDerWaalsContact C-N 3.27Å; F74-H76 PolarHBondContact O-N 3.2Å; H76-K80 WeakPolarHBondContact O-CA 3.39Å; H76-K80 WeakPolarHBondContact O-CB 3.26Å; H76-K80 PolarHBondContact O-N 2.97Å; H76-V96 HydrophobicContact CB-CG1 4.47Å; H76-V96 WeakPolarHBondContact CE1-CG1 3.49Å; H76-V96 WeakPolarHBondContact ND1-CG1 3.47Å; H76-R98 VanDerWaalsContact CB-NH1 3.26Å; H76-R98 PolarHBondContact CD2-NE 2.91Å; H76-R98 PolarHBondContact CD2-NH2 2.8Å; H76-R98 VanDerWaalsContact CG-CZ 3.46Å; H76-R98 PolarHBondContact NE2-NE 2.86Å
77A53.1Low49.7Very low48 Ų4885.5 Ų85.540%0.39742%0.417SS..Hα-helixtrans-67.3-42.3170.200000110.8H73 F74 K80 A81H73-A77 VanDerWaalsContact O-CB 3.25Å; H73-A77 WeakPolarHBondContact O-CB 3.49Å; H73-A77 PolarHBondContact O-N 3.01Å; F74-A77 PolarHBondContact O-N 2.93Å; A77-K80 PolarHBondContact O-N 3.12Å; A77-A81 WeakPolarHBondContact O-CB 3.47Å; A77-A81 PolarHBondContact O-N 3.3Å
78I46.5Very low48.9Very low111 Ų11189.5 Ų89.557%0.56944%0.441SS*.Hα-helixtrans-63.7-48.7173.6-66.3167.2000110F74 Y75 K80 A81 V82F74-I78 VanDerWaalsContact O-CG1 3.3Å; F74-I78 WeakPolarHBondContact O-CG1 3.45Å; F74-I78 PolarHBondContact O-N 2.9Å; Y75-I78 PolarHBondContact O-N 3.48Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 3.36Å; I78-A81 PolarHBondContact O-N 3.39Å; I78-V82 WeakPolarHBondContact O-CG2 3.42Å; I78-V82 PolarHBondContact O-N 3.24Å
79A48.5Very low48.4Very low18 Ų1888.1 Ų88.115%0.14944%0.439CS..Hα-helixtrans-61.2-39.8177.100000111.3Y75 V82 L83Y75-A79 VanDerWaalsContact O-CB 3.27Å; Y75-A79 WeakPolarHBondContact O-CB 3.5Å; Y75-A79 PolarHBondContact O-N 2.8Å; A79-V82 PolarHBondContact O-N 2.95Å; A79-L83 VanDerWaalsContact O-CB 3.25Å; A79-L83 WeakPolarHBondContact O-CB 3.48Å; A79-L83 WeakPolarHBondContact O-CD1 3.38Å; A79-L83 WeakPolarHBondContact O-CG 3.48Å; A79-L83 PolarHBondContact O-N 2.88Å
80K51.8Low48.2Very low62 Ų6283.3 Ų83.327%0.2743%0.427SS..Hα-helixtrans-66.2-43.6176.3-172.5170-175.3168.40111.7H76 A77 I78 V82 L83 T84 I92 N93H76-K80 WeakPolarHBondContact O-CA 3.39Å; H76-K80 WeakPolarHBondContact O-CB 3.26Å; H76-K80 PolarHBondContact O-N 2.97Å; A77-K80 PolarHBondContact O-N 3.12Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 3.36Å; K80-V82 VanDerWaalsContact C-N 3.32Å; K80-V82 PolarHBondContact O-N 2.85Å; K80-L83 PolarHBondContact O-N 3.4Å; K80-T84 HydrophobicContact CG-CG2 4.15Å; K80-T84 WeakPolarHBondContact O-CB 3.31Å; K80-T84 VanDerWaalsContact O-CG2 3.3Å; K80-T84 WeakPolarHBondContact O-CG2 3.2Å; K80-T84 PolarHBondContact O-N 2.72Å; K80-T84 PolarHBondContact O-OG1 3.05Å; K80-I92 HydrophobicContact CB-CG2 3.98Å; K80-I92 HydrophobicContact CG-CB 4.43Å; K80-I92 HydrophobicContact CG-CD1 4.09Å; K80-I92 HydrophobicContact CG-CG2 3.87Å; K80-N93 PolarHBondContact NZ-OD1 2.79Å
81A41.5Very low48.3Very low67 Ų6780.4 Ų80.455%0.55441%0.413SS*.Hα-helixtrans-59.7-41.5175.400000112.4A77 I78 T84A77-A81 WeakPolarHBondContact O-CB 3.47Å; A77-A81 PolarHBondContact O-N 3.3Å; I78-A81 PolarHBondContact O-N 3.39Å; A81-T84 WeakPolarHBondContact CA-OG1 3.27Å; A81-T84 PolarHBondContact O-OG1 3.09Å
82V40.6Very low48.6Very low90 Ų9072 Ų7255%0.54538%0.376SS..Hα-helixtrans-68.6-45.8176.5174.40000111.2I78 A79 K80 W85I78-V82 WeakPolarHBondContact O-CG2 3.42Å; I78-V82 PolarHBondContact O-N 3.24Å; A79-V82 PolarHBondContact O-N 2.95Å; K80-V82 VanDerWaalsContact C-N 3.32Å; K80-V82 PolarHBondContact O-N 2.85Å; V82-W85 WeakPolarHBondContact O-CB 3.42Å; V82-W85 PolarHBondContact O-N 3.3Å
83L42.4Very low48.9Very low42 Ų4272.8 Ų72.822%0.2238%0.378CS..Hα-helixtrans-74.8-24.9-177-65.5167.7000112.7A79 K80 W85 F86 M87 I92 L95 V96A79-L83 VanDerWaalsContact O-CB 3.25Å; A79-L83 WeakPolarHBondContact O-CB 3.48Å; A79-L83 WeakPolarHBondContact O-CD1 3.38Å; A79-L83 WeakPolarHBondContact O-CG 3.48Å; A79-L83 PolarHBondContact O-N 2.88Å; K80-L83 PolarHBondContact O-N 3.4Å; L83-W85 PolarHBondContact O-N 2.91Å; L83-W85 VanDerWaalsContact O-N 3.17Å; L83-F86 CarbonylContact O-C 3.6Å; L83-F86 PolarHBondContact O-N 3.38Å; L83-M87 PolarHBondContact O-N 3.06Å; L83-I92 HydrophobicContact CB-CB 4.49Å; L83-I92 HydrophobicContact CB-CD1 3.66Å; L83-I92 HydrophobicContact CB-CG1 3.6Å; L83-I92 HydrophobicContact CB-CG2 4.14Å; L83-I92 HydrophobicContact CD1-CG2 3.87Å; L83-L95 HydrophobicContact CD1-CD2 3.92Å; L83-L95 HydrophobicContact CD2-CD2 4.41Å; L83-V96 HydrophobicContact CD1-CG2 4.32Å
84T52.1Low49Very low67 Ų6772.2 Ų72.241%0.41138%0.377SS..THydrogen-bonded Turntrans-63.1-20.4175.440.70000112.5K80 A81 F86 M87 I92K80-T84 HydrophobicContact CG-CG2 4.15Å; K80-T84 WeakPolarHBondContact O-CB 3.31Å; K80-T84 VanDerWaalsContact O-CG2 3.3Å; K80-T84 WeakPolarHBondContact O-CG2 3.2Å; K80-T84 PolarHBondContact O-N 2.72Å; K80-T84 PolarHBondContact O-OG1 3.05Å; A81-T84 WeakPolarHBondContact CA-OG1 3.27Å; A81-T84 PolarHBondContact O-OG1 3.09Å; T84-F86 PolarHBondContact O-N 3.13Å; T84-M87 WeakPolarHBondContact CA-O 3.44Å; T84-I92 VanDerWaalsContact CA-CD1 3.48Å; T84-I92 HydrophobicContact CG2-CD1 3.36Å
85W35.3Very low48.9Very low209 Ų20970.6 Ų70.679%0.79237%0.373SS*.THydrogen-bonded Turntrans-68.1-23.4173.3-165.622.7000112.7V82 L83V82-W85 WeakPolarHBondContact O-CB 3.42Å; V82-W85 PolarHBondContact O-N 3.3Å; L83-W85 PolarHBondContact O-N 2.91Å; L83-W85 VanDerWaalsContact O-N 3.17Å
86F36.2Very low49.2Very low146 Ų14664.8 Ų64.864%0.6435%0.354SS*.THydrogen-bonded Turntrans-119.7-15.9-175-58.9-76.5000113.8L83 T84L83-F86 CarbonylContact O-C 3.6Å; L83-F86 PolarHBondContact O-N 3.38Å; T84-F86 PolarHBondContact O-N 3.13Å
87M39.9Very low49.3Very low57 Ų5764.2 Ų64.228%0.28136%0.359SS..SBendtrans-148.6149.3-166.7-56.2179.970.400111.9L83 T84 I92 V153L83-M87 PolarHBondContact O-N 3.06Å; T84-M87 WeakPolarHBondContact CA-O 3.44Å; M87-I92 HydrophobicContact CB-CG1 4.01Å; M87-V153 HydrophobicContact CE-CG2 3.27Å
88T54.3Low49.4Very low89 Ų8964.4 Ų64.455%0.54635%0.35SS..  trans-65.3153.317661.90000111.6T90 S91 I92T88-T90 PolarHBondContact O-N 3.17Å; T88-T90 VanDerWaalsContact O-N 3.11Å; T88-S91 WeakPolarHBondContact O-CA 3.34Å; T88-S91 WeakPolarHBondContact O-CB 3.47Å; T88-S91 PolarHBondContact O-N 3.36Å; T88-S91 PolarHBondContact OG1-N 3.21Å; T88-S91 PolarHBondContact OG1-OG 3.31Å; T88-I92 WeakPolarHBondContact O-CG1 3.35Å; T88-I92 PolarHBondContact O-N 2.85Å
89S54.3Low50.1Low59 Ų5960.8 Ų60.841%0.41334%0.339SS..Hα-helixtrans-51.9-37.2177.8-79.50000113.1I92 N93S89-I92 PolarHBondContact O-N 2.83Å; S89-N93 WeakPolarHBondContact O-CB 3.41Å; S89-N93 VanDerWaalsContact O-CG 3.3Å; S89-N93 PolarHBondContact O-N 3.44Å
90T55.5Low51.4Low57 Ų5760.7 Ų60.735%0.3534%0.337SS..Hα-helixtrans-64.4-43.7175.5-46.80000111.9T88 I92 N93 G94 M154T88-T90 PolarHBondContact O-N 3.17Å; T88-T90 VanDerWaalsContact O-N 3.11Å; T90-I92 VanDerWaalsContact C-N 3.28Å; T90-I92 PolarHBondContact O-N 3.42Å; T90-N93 PolarHBondContact O-N 3.03Å; T90-G94 PolarHBondContact O-N 3.27Å; T90-M154 HydrophobicContact CG2-CE 4.47Å
91S56.1Low52.9Low14 Ų1461 Ų6110%0.09834%0.341CS..Hα-helixtrans-65.3-34177.8-58.10000112T88 L95T88-S91 WeakPolarHBondContact O-CA 3.34Å; T88-S91 WeakPolarHBondContact O-CB 3.47Å; T88-S91 PolarHBondContact O-N 3.36Å; T88-S91 PolarHBondContact OG1-N 3.21Å; T88-S91 PolarHBondContact OG1-OG 3.31Å; S91-L95 WeakPolarHBondContact O-CB 3.23Å; S91-L95 PolarHBondContact O-N 2.6Å
92I54.1Low55.2Low1 Ų158.4 Ų58.41%0.00532%0.317CS..Hα-helixtrans-73.3-48.7177.7-61.1166.4000111.2K80 L83 T84 M87 T88 S89 T90 G94 L95 V96K80-I92 HydrophobicContact CB-CG2 3.98Å; K80-I92 HydrophobicContact CG-CB 4.43Å; K80-I92 HydrophobicContact CG-CD1 4.09Å; K80-I92 HydrophobicContact CG-CG2 3.87Å; L83-I92 HydrophobicContact CB-CB 4.49Å; L83-I92 HydrophobicContact CB-CD1 3.66Å; L83-I92 HydrophobicContact CB-CG1 3.6Å; L83-I92 HydrophobicContact CB-CG2 4.14Å; L83-I92 HydrophobicContact CD1-CG2 3.87Å; T84-I92 VanDerWaalsContact CA-CD1 3.48Å; T84-I92 HydrophobicContact CG2-CD1 3.36Å; M87-I92 HydrophobicContact CB-CG1 4.01Å; T88-I92 WeakPolarHBondContact O-CG1 3.35Å; T88-I92 PolarHBondContact O-N 2.85Å; S89-I92 PolarHBondContact O-N 2.83Å; T90-I92 VanDerWaalsContact C-N 3.28Å; T90-I92 PolarHBondContact O-N 3.42Å; I92-G94 PolarHBondContact O-N 2.92Å; I92-L95 PolarHBondContact O-N 2.93Å; I92-L95 VanDerWaalsContact O-N 3.1Å; I92-V96 HydrophobicContact CG2-CG2 4.01Å; I92-V96 VanDerWaalsContact O-CB 3.22Å; I92-V96 WeakPolarHBondContact O-CB 3.22Å; I92-V96 WeakPolarHBondContact O-CG2 3.26Å; I92-V96 PolarHBondContact O-N 2.68Å
93N58.5Low57.7Low56 Ų5654.2 Ų54.230%0.29929%0.292SS..Hα-helixtrans-54.5-42.7174.7-75.8-3.5000109.9K80 S89 T90 V96 G97 R98K80-N93 PolarHBondContact NZ-OD1 2.79Å; S89-N93 WeakPolarHBondContact O-CB 3.41Å; S89-N93 VanDerWaalsContact O-CG 3.3Å; S89-N93 PolarHBondContact O-N 3.44Å; T90-N93 PolarHBondContact O-N 3.03Å; N93-V96 PolarHBondContact O-N 3.22Å; N93-G97 PolarHBondContact O-N 2.96Å; N93-R98 CarbonylContact C-O 3.51Å; N93-R98 WeakPolarHBondContact CB-O 3.33Å; N93-R98 PolarHBondContact O-N 2.69Å; N93-R98 VanDerWaalsContact O-O 3.12Å
94G55.6Low60.4Low3 Ų352.3 Ų52.33%0.03128%0.282CS..Hα-helixtrans-59.6-50.5171.800000113.8T90 I92 V96 G97 R157T90-G94 PolarHBondContact O-N 3.27Å; I92-G94 PolarHBondContact O-N 2.92Å; G94-V96 PolarHBondContact O-N 2.93Å; G94-G97 PolarHBondContact O-N 2.81Å; G94-R157 VanDerWaalsContact O-CD 3.31Å; G94-R157 WeakPolarHBondContact O-CD 3.48Å; G94-R157 PolarHBondContact O-NH1 2.84Å
95L49.1Very low62.5Low85 Ų8549.1 Ų49.145%0.44526%0.262SS..Hα-helixtrans-60.7-38.6-179.7-167.682.3000112L83 S91 I92 V153L83-L95 HydrophobicContact CD1-CD2 3.92Å; L83-L95 HydrophobicContact CD2-CD2 4.41Å; S91-L95 WeakPolarHBondContact O-CB 3.23Å; S91-L95 PolarHBondContact O-N 2.6Å; I92-L95 PolarHBondContact O-N 2.93Å; I92-L95 VanDerWaalsContact O-N 3.1Å; L95-V153 HydrophobicContact CB-CG1 4.16Å; L95-V153 HydrophobicContact CD1-CG1 4.16Å
96V54Low65.4Low39 Ų3940.3 Ų40.324%0.23623%0.233CC..Hα-helixtrans-86-10.9-171.9177.50000112.4H76 L83 I92 N93 G94 R98H76-V96 HydrophobicContact CB-CG1 4.47Å; H76-V96 WeakPolarHBondContact CE1-CG1 3.49Å; H76-V96 WeakPolarHBondContact ND1-CG1 3.47Å; L83-V96 HydrophobicContact CD1-CG2 4.32Å; I92-V96 HydrophobicContact CG2-CG2 4.01Å; I92-V96 VanDerWaalsContact O-CB 3.22Å; I92-V96 WeakPolarHBondContact O-CB 3.22Å; I92-V96 WeakPolarHBondContact O-CG2 3.26Å; I92-V96 PolarHBondContact O-N 2.68Å; N93-V96 PolarHBondContact O-N 3.22Å; G94-V96 PolarHBondContact O-N 2.93Å; V96-R98 HydrophobicContact CG1-CB 4.42Å; V96-R98 HydrophobicContact CG1-CG 4.01Å
97G56.4Low68.3Low28 Ų2836 Ų3629%0.28922%0.224SC..THydrogen-bonded Turntrans68.136.2-178.400000112.9N93 G94N93-G97 PolarHBondContact O-N 2.96Å; G94-G97 PolarHBondContact O-N 2.81Å
98R55.3Low71Confident53 Ų5333.8 Ų33.820%0.221%0.213CC..  trans-119.8148.9178.5-78.8-173.4160.4-150-10.8111.2T72 H73 H76 N93 V96T72-R98 PolarHBondContact OG1-NH2 2.78Å; H73-R98 PolarHBondContact ND1-NH1 2.95Å; H76-R98 VanDerWaalsContact CB-NH1 3.26Å; H76-R98 PolarHBondContact CD2-NE 2.91Å; H76-R98 PolarHBondContact CD2-NH2 2.8Å; H76-R98 VanDerWaalsContact CG-CZ 3.46Å; H76-R98 PolarHBondContact NE2-NE 2.86Å; N93-R98 CarbonylContact C-O 3.51Å; N93-R98 WeakPolarHBondContact CB-O 3.33Å; N93-R98 PolarHBondContact O-N 2.69Å; N93-R98 VanDerWaalsContact O-O 3.12Å; V96-R98 HydrophobicContact CG1-CB 4.42Å; V96-R98 HydrophobicContact CG1-CG 4.01Å
99G61.2Low73.1Confident34 Ų3429.6 Ų29.635%0.35119%0.187SC..SBendtrans80.632.3-175.700000111.3M101 E282G99-M101 WeakPolarHBondContact O-CG 3.47Å; G99-M101 PolarHBondContact O-N 3.35Å; G99-E282 PolarHBondContact N-OE2 3.2Å
100S74.1Confident75.1Confident16 Ų1627.8 Ų27.811%0.11217%0.173CC..  trans-54.2135.1172-176.40000109N133 C281 E282S100-N133 PolarHBondContact OG-ND2 2.88Å; S100-C281 WeakPolarHBondContact O-CA 2.86Å; S100-E282 PolarHBondContact N-OE2 3.23Å; S100-E282 PolarHBondContact O-N 2.85Å
101M83.4Confident77.1Confident70 Ų7031.3 Ų31.335%0.34518%0.179SC..EExtended strand (participates in β ladder)trans-101.8148.2179.4-55.3-178.5-52.300108.9G99 Y279 L280 C281G99-M101 WeakPolarHBondContact O-CG 3.47Å; G99-M101 PolarHBondContact O-N 3.35Å; M101-Y279 HydrophobicContact CB-CE2 3.87Å; M101-Y279 HydrophobicContact CG-CE2 4.47Å; M101-Y279 PolarHBondContact SD-OH 3.24Å; M101-L280 CarbonylContact C-O 3.55Å; M101-L280 WeakPolarHBondContact CA-O 3.14Å; M101-C281 HydrophobicContact CG-CB 4.43Å
102F90.8Very high79Confident11 Ų1130.8 Ų30.85%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-136122.6177.1180-73.9000108.2T56 F59 F104 L280T56-F102 HydrophobicContact CG2-CE1 4.13Å; T56-F102 HydrophobicContact CG2-CZ 4.42Å; F59-F102 HydrophobicContact CB-CD2 3.86Å; F59-F102 HydrophobicContact CB-CE2 4.17Å; F59-F102 HydrophobicContact CB-CG 4.37Å; F59-F102 HydrophobicContact CD1-CB 3.95Å; F59-F102 HydrophobicContact CD1-CG 4.25Å; F59-F102 HydrophobicContact CD2-CB 3.75Å; F59-F102 AromaticContact CD2-CD2 3.79Å; F59-F102 HydrophobicContact CD2-CD2 3.79Å; F59-F102 HydrophobicContact CD2-CG 4.11Å; F59-F102 HydrophobicContact CE1-CB 3.88Å; F59-F102 HydrophobicContact CE2-CB 3.67Å; F59-F102 HydrophobicContact CG-CB 3.89Å; F59-F102 AromaticContact CG-CD2 3.79Å; F59-F102 HydrophobicContact CG-CD2 3.79Å; F59-F102 AromaticContact CG-CG 3.97Å; F59-F102 HydrophobicContact CG-CG 3.97Å; F59-F102 HydrophobicContact CZ-CB 3.73Å; F102-F104 VanDerWaalsContact CZ-C 3.46Å; F102-L280 HydrophobicContact CB-CB 4.09Å; F102-L280 HydrophobicContact CD1-CD1 4Å; F102-L280 PolarHBondContact N-O 3.01Å; F102-L280 PolarHBondContact O-N 3.38Å
103V93.9Very high81Confident3 Ų331.6 Ų31.62%0.01818%0.18CC..  trans-103.9-57.6179.2172.50000108.7V134 L193 Y279 E294 V296V103-V134 HydrophobicContact CB-CG1 4.07Å; V103-V134 HydrophobicContact CB-CG2 4.37Å; V103-V134 HydrophobicContact CG2-CG1 4.17Å; V103-V134 HydrophobicContact CG2-CG2 3.98Å; V103-L193 HydrophobicContact CG1-CD1 4.43Å; V103-Y279 HydrophobicContact CG2-CD2 3.88Å; V103-Y279 HydrophobicContact CG2-CE2 3.83Å; V103-E294 WeakPolarHBondContact CG1-OE2 3.32Å; V103-V296 HydrophobicContact CG1-CG2 4.06Å
104F97.3Very high82.7Confident2 Ų234.3 Ų34.31%0.00919%0.194CC..  trans-143.7159.9177.446.3-111.7000111.6F102 Q108 F109 V134 K137 M138 L193 L277F102-F104 VanDerWaalsContact CZ-C 3.46Å; F104-Q108 VanDerWaalsContact CA-OE1 3.22Å; F104-Q108 HydrophobicContact CB-CB 3.94Å; F104-F109 HydrophobicContact CD2-CB 3.69Å; F104-F109 HydrophobicContact CD2-CD2 4.11Å; F104-F109 HydrophobicContact CD2-CG 4.3Å; F104-F109 HydrophobicContact CE1-CD2 4.11Å; F104-F109 HydrophobicContact CE2-CB 3.83Å; F104-F109 AromaticContact CE2-CD2 3.46Å; F104-F109 HydrophobicContact CE2-CD2 3.46Å; F104-F109 VanDerWaalsContact CE2-CD2 3.46Å; F104-F109 HydrophobicContact CE2-CE2 4.27Å; F104-F109 AromaticContact CE2-CG 3.92Å; F104-F109 HydrophobicContact CE2-CG 3.92Å; F104-F109 HydrophobicContact CG-CB 4.34Å; F104-F109 AromaticContact CZ-CD2 3.48Å; F104-F109 HydrophobicContact CZ-CD2 3.48Å; F104-F109 VanDerWaalsContact CZ-CD2 3.48Å; F104-F109 HydrophobicContact CZ-CE2 4.01Å; F104-F109 HydrophobicContact CZ-CG 4.38Å; F104-V134 HydrophobicContact CE2-CG1 4.25Å; F104-V134 HydrophobicContact CZ-CG1 4.07Å; F104-K137 HydrophobicContact CD2-CB 4.38Å; F104-K137 HydrophobicContact CE2-CB 4.16Å; F104-M138 HydrophobicContact CE2-CG 3.77Å; F104-M138 HydrophobicContact CE2-SD 4.39Å; F104-M138 HydrophobicContact CZ-CG 3.77Å; F104-M138 HydrophobicContact CZ-SD 3.77Å; F104-L193 HydrophobicContact CE1-CD1 4.04Å; F104-L193 HydrophobicContact CE1-CD2 4.41Å; F104-L193 HydrophobicContact CZ-CD1 4.11Å; F104-L277 HydrophobicContact CB-CD1 3.79Å; F104-L277 HydrophobicContact CD1-CD1 4.39Å
105S97.2Very high84.5Confident0 Ų035.5 Ų35.50%020%0.201CC..  trans-77169.7162.672.50000112.2D53 A107 Q108 F109D53-S105 WeakPolarHBondContact OD1-CB 3.48Å; D53-S105 WeakPolarHBondContact OD2-CB 3.38Å; D53-S105 PolarHBondContact OD2-OG 3.1Å; S105-A107 VanDerWaalsContact C-N 3.29Å; S105-A107 PolarHBondContact O-N 3.23Å; S105-A107 PolarHBondContact OG-N 2.87Å; S105-Q108 PolarHBondContact O-N 3.07Å; S105-Q108 VanDerWaalsContact OG-CB 3.31Å; S105-Q108 WeakPolarHBondContact OG-CB 3.45Å; S105-Q108 WeakPolarHBondContact OG-CG 3.38Å; S105-Q108 PolarHBondContact OG-N 3.05Å; S105-F109 WeakPolarHBondContact O-CB 3.41Å; S105-F109 PolarHBondContact O-N 2.81Å
106S96.6Very high86.5Confident24 Ų2435.7 Ų35.717%0.16820%0.202CC..Hα-helixtrans-63.1-37.1172.8-32.60000111.4E55 F109 L110 Y141E55-S106 WeakPolarHBondContact OE1-CB 3.23Å; E55-S106 PolarHBondContact OE1-N 3.06Å; E55-S106 PolarHBondContact OE1-OG 2.99Å; S106-F109 WeakPolarHBondContact O-CB 3.31Å; S106-F109 PolarHBondContact O-N 2.98Å; S106-L110 WeakPolarHBondContact O-CG 3.43Å; S106-L110 PolarHBondContact O-N 3.42Å; S106-Y141 WeakPolarHBondContact CB-OH 3.32Å
107A96.6Very high88.2Confident55 Ų5539.6 Ų39.646%0.45522%0.222SC..Hα-helixtrans-70.9-38.2178.900000113S105 R111S105-A107 VanDerWaalsContact C-N 3.29Å; S105-A107 PolarHBondContact O-N 3.23Å; S105-A107 PolarHBondContact OG-N 2.87Å; A107-R111 VanDerWaalsContact O-CB 3.26Å; A107-R111 WeakPolarHBondContact O-CB 3.37Å; A107-R111 PolarHBondContact O-N 2.81Å
108Q97.5Very high89.8Confident11 Ų1142.5 Ų42.55%0.05124%0.238CC..Hα-helixtrans-65.9-42.2174.1-72.2170.2-19.600110.7S50 K51 T56 F104 S105 R111 L112S50-Q108 WeakPolarHBondContact OG-CG 3.49Å; S50-Q108 PolarHBondContact OG-NE2 3.34Å; K51-Q108 PolarHBondContact O-NE2 2.79Å; T56-Q108 PolarHBondContact OG1-NE2 2.8Å; F104-Q108 VanDerWaalsContact CA-OE1 3.22Å; F104-Q108 HydrophobicContact CB-CB 3.94Å; S105-Q108 PolarHBondContact O-N 3.07Å; S105-Q108 VanDerWaalsContact OG-CB 3.31Å; S105-Q108 WeakPolarHBondContact OG-CB 3.45Å; S105-Q108 WeakPolarHBondContact OG-CG 3.38Å; S105-Q108 PolarHBondContact OG-N 3.05Å; Q108-R111 PolarHBondContact O-N 3.29Å; Q108-L112 WeakPolarHBondContact O-CB 3.48Å; Q108-L112 PolarHBondContact O-N 3.33Å
109F97.2Very high91.4Very high1 Ų143.8 Ų43.80%0.00425%0.245CC..Hα-helixtrans-57.8-54.2174.8-179.8-103.3000112.2F104 S105 S106 R111 L112 L113 M138 Y141 F142 I221F104-F109 HydrophobicContact CD2-CB 3.69Å; F104-F109 HydrophobicContact CD2-CD2 4.11Å; F104-F109 HydrophobicContact CD2-CG 4.3Å; F104-F109 HydrophobicContact CE1-CD2 4.11Å; F104-F109 HydrophobicContact CE2-CB 3.83Å; F104-F109 AromaticContact CE2-CD2 3.46Å; F104-F109 HydrophobicContact CE2-CD2 3.46Å; F104-F109 VanDerWaalsContact CE2-CD2 3.46Å; F104-F109 HydrophobicContact CE2-CE2 4.27Å; F104-F109 AromaticContact CE2-CG 3.92Å; F104-F109 HydrophobicContact CE2-CG 3.92Å; F104-F109 HydrophobicContact CG-CB 4.34Å; F104-F109 AromaticContact CZ-CD2 3.48Å; F104-F109 HydrophobicContact CZ-CD2 3.48Å; F104-F109 VanDerWaalsContact CZ-CD2 3.48Å; F104-F109 HydrophobicContact CZ-CE2 4.01Å; F104-F109 HydrophobicContact CZ-CG 4.38Å; S105-F109 WeakPolarHBondContact O-CB 3.41Å; S105-F109 PolarHBondContact O-N 2.81Å; S106-F109 WeakPolarHBondContact O-CB 3.31Å; S106-F109 PolarHBondContact O-N 2.98Å; F109-R111 VanDerWaalsContact C-N 3.33Å; F109-R111 PolarHBondContact O-N 2.9Å; F109-L112 PolarHBondContact O-N 3.34Å; F109-L113 HydrophobicContact CD1-CD1 4.12Å; F109-L113 HydrophobicContact CD2-CD1 4.37Å; F109-L113 HydrophobicContact CE1-CD1 3.47Å; F109-L113 VanDerWaalsContact CE1-CD1 3.47Å; F109-L113 HydrophobicContact CE2-CD1 3.8Å; F109-L113 HydrophobicContact CE2-CG 4.46Å; F109-L113 HydrophobicContact CZ-CD1 3.31Å; F109-L113 HydrophobicContact CZ-CG 4.38Å; F109-L113 WeakPolarHBondContact O-CG 3.33Å; F109-L113 PolarHBondContact O-N 3.49Å; F109-M138 HydrophobicContact CD2-CG 3.91Å; F109-M138 HydrophobicContact CD2-SD 4.39Å; F109-M138 HydrophobicContact CE1-CB 4.4Å; F109-M138 HydrophobicContact CE1-CG 4.33Å; F109-M138 HydrophobicContact CE2-CB 4.27Å; F109-M138 HydrophobicContact CE2-CG 3.46Å; F109-M138 VanDerWaalsContact CE2-CG 3.46Å; F109-M138 HydrophobicContact CE2-SD 3.63Å; F109-M138 HydrophobicContact CG-CG 4.47Å; F109-M138 HydrophobicContact CZ-CB 3.98Å; F109-M138 HydrophobicContact CZ-CG 3.69Å; F109-M138 HydrophobicContact CZ-SD 4.13Å; F109-Y141 AromaticContact CD1-CD2 3.61Å; F109-Y141 HydrophobicContact CD1-CD2 3.61Å; F109-Y141 AromaticContact CD1-CE2 3.71Å; F109-Y141 HydrophobicContact CD1-CE2 3.71Å; F109-Y141 AromaticContact CE1-CD2 3.47Å; F109-Y141 HydrophobicContact CE1-CD2 3.47Å; F109-Y141 VanDerWaalsContact CE1-CD2 3.47Å; F109-Y141 HydrophobicContact CE1-CE2 4.08Å; F109-Y141 HydrophobicContact CE1-CG 4.28Å; F109-F142 HydrophobicContact CE1-CE2 4.49Å; F109-F142 HydrophobicContact CZ-CE2 4.19Å; F109-I221 HydrophobicContact CD2-CD1 4.38Å; F109-I221 HydrophobicContact CE2-CD1 3.37Å; F109-I221 HydrophobicContact CZ-CD1 3.88Å
110L96.4Very high92.9Very high21 Ų2147.6 Ų47.611%0.1125%0.252CS..Hα-helixtrans-58.2-44.3178.4-75.5178.9000112.5S106 L112 L113 D114 V115 D117 Y141S106-L110 WeakPolarHBondContact O-CG 3.43Å; S106-L110 PolarHBondContact O-N 3.42Å; L110-L112 PolarHBondContact O-N 2.96Å; L110-L113 CarbonylContact O-C 3.56Å; L110-L113 PolarHBondContact O-N 3.41Å; L110-D114 PolarHBondContact O-N 2.9Å; L110-V115 HydrophobicContact CD2-CG2 3.62Å; L110-V115 PolarHBondContact O-N 2.81Å; L110-D117 HydrophobicContact CD1-CB 4.05Å; L110-Y141 HydrophobicContact CD1-CE1 3.87Å; L110-Y141 VanDerWaalsContact CD1-OH 3.27Å; L110-Y141 WeakPolarHBondContact CD1-OH 3.35Å; L110-Y141 HydrophobicContact CD2-CD1 3.79Å; L110-Y141 HydrophobicContact CD2-CD2 4.3Å; L110-Y141 HydrophobicContact CD2-CE1 3.53Å; L110-Y141 HydrophobicContact CD2-CE2 4.03Å; L110-Y141 HydrophobicContact CD2-CG 4.17Å; L110-Y141 HydrophobicContact CG-CE1 3.95Å; L110-Y141 HydrophobicContact CG-CE2 4.07Å
111R96.7Very high93.8Very high130 Ų13048.7 Ų48.749%0.49125%0.253SS..Hα-helixtrans-61.9-42.9177.5179.8-175.6-66.9-139.4-9.2112I48 A107 Q108 F109 L113 D114I48-R111 HydrophobicContact CG2-CG 3.82Å; A107-R111 VanDerWaalsContact O-CB 3.26Å; A107-R111 WeakPolarHBondContact O-CB 3.37Å; A107-R111 PolarHBondContact O-N 2.81Å; Q108-R111 PolarHBondContact O-N 3.29Å; F109-R111 VanDerWaalsContact C-N 3.33Å; F109-R111 PolarHBondContact O-N 2.9Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.07Å; R111-D114 PolarHBondContact O-N 3.38Å
112L97.1Very high94.4Very high4 Ų448.3 Ų48.32%0.02125%0.253CS..Hα-helixtrans-63.6-38.8178.5179.261.6000111.2I48 Q108 F109 L110 R273 T275 V296 V298I48-L112 HydrophobicContact CB-CD1 4.48Å; I48-L112 HydrophobicContact CG1-CD1 4.47Å; Q108-L112 WeakPolarHBondContact O-CB 3.48Å; Q108-L112 PolarHBondContact O-N 3.33Å; F109-L112 PolarHBondContact O-N 3.34Å; L110-L112 PolarHBondContact O-N 2.96Å; L112-R273 HydrophobicContact CD1-CB 4.15Å; L112-R273 WeakPolarHBondContact O-CD 3.48Å; L112-T275 HydrophobicContact CD1-CG2 3.93Å; L112-T275 HydrophobicContact CD2-CG2 3.97Å; L112-T275 HydrophobicContact CG-CG2 4.43Å; L112-V296 HydrophobicContact CD2-CB 4.17Å; L112-V296 HydrophobicContact CD2-CG1 3.61Å; L112-V298 HydrophobicContact CD1-CG2 3.96Å; L112-V298 HydrophobicContact CD2-CG2 3.89Å; L112-V298 HydrophobicContact CG-CG2 3.57Å
113L95.7Very high94.6Very high18 Ų1847.9 Ų47.99%0.09425%0.251CS..Hα-helixtrans-83.2-8.2179.4-65.1-171.4000114.9F109 L110 R111 V115 W121 I219 I221 V298F109-L113 HydrophobicContact CD1-CD1 4.12Å; F109-L113 HydrophobicContact CD2-CD1 4.37Å; F109-L113 HydrophobicContact CE1-CD1 3.47Å; F109-L113 VanDerWaalsContact CE1-CD1 3.47Å; F109-L113 HydrophobicContact CE2-CD1 3.8Å; F109-L113 HydrophobicContact CE2-CG 4.46Å; F109-L113 HydrophobicContact CZ-CD1 3.31Å; F109-L113 HydrophobicContact CZ-CG 4.38Å; F109-L113 WeakPolarHBondContact O-CG 3.33Å; F109-L113 PolarHBondContact O-N 3.49Å; L110-L113 CarbonylContact O-C 3.56Å; L110-L113 PolarHBondContact O-N 3.41Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.07Å; L113-V115 VanDerWaalsContact C-N 3.29Å; L113-V115 HydrophobicContact CB-CG2 3.98Å; L113-V115 PolarHBondContact O-N 3.4Å; L113-W121 HydrophobicContact CB-CH2 4.16Å; L113-W121 HydrophobicContact CD1-CH2 3.71Å; L113-W121 HydrophobicContact CD1-CZ3 3.64Å; L113-I219 HydrophobicContact CD2-CD1 3.66Å; L113-I221 HydrophobicContact CD1-CD1 4.13Å; L113-I221 HydrophobicContact CD2-CD1 3.96Å; L113-I221 HydrophobicContact CD2-CG1 4.35Å; L113-I221 HydrophobicContact CG-CD1 4.49Å; L113-V298 HydrophobicContact CD2-CG1 4.11Å; L113-V298 HydrophobicContact CD2-CG2 3.79Å
114D95Very high94.8Very high112 Ų11247.7 Ų47.760%0.59925%0.25SS*.THydrogen-bonded Turntrans60.532.5-175.6-14540.2000115.1L110 R111 R273L110-D114 PolarHBondContact O-N 2.9Å; R111-D114 PolarHBondContact O-N 3.38Å; D114-R273 VanDerWaalsContact CB-CZ 3.42Å; D114-R273 VanDerWaalsContact CG-CZ 3.41Å; D114-R273 IonicContact OD1-CZ 3.73Å; D114-R273 IonicContact OD1-NH1 3Å; D114-R273 PolarHBondContact OD1-NH1 3.02Å; D114-R273 IonicContact OD1-NH2 3.65Å; D114-R273 IonicContact OD2-CZ 3.47Å; D114-R273 IonicContact OD2-NH1 3.54Å; D114-R273 IonicContact OD2-NH2 2.71Å; D114-R273 PolarHBondContact OD2-NH2 3.13Å
115V93.4Very high94.8Very high28 Ų2847.6 Ų47.617%0.1725%0.25CC..  trans-119.1153.9180-60.40000111.2L110 L113 F119 W121L110-V115 HydrophobicContact CD2-CG2 3.62Å; L110-V115 PolarHBondContact O-N 2.81Å; L113-V115 VanDerWaalsContact C-N 3.29Å; L113-V115 HydrophobicContact CB-CG2 3.98Å; L113-V115 PolarHBondContact O-N 3.4Å; V115-F119 HydrophobicContact CB-CB 3.88Å; V115-F119 HydrophobicContact CB-CD1 4.48Å; V115-F119 HydrophobicContact CB-CD2 4.4Å; V115-F119 HydrophobicContact CB-CG 3.98Å; V115-F119 HydrophobicContact CG1-CB 4.49Å; V115-F119 HydrophobicContact CG1-CD1 4.32Å; V115-F119 HydrophobicContact CG1-CD2 4.18Å; V115-F119 HydrophobicContact CG1-CG 4.04Å; V115-F119 HydrophobicContact CG2-CB 4.3Å; V115-W121 HydrophobicContact CB-CH2 4.19Å; V115-W121 HydrophobicContact CG1-CH2 3.52Å; V115-W121 HydrophobicContact CG1-CZ2 3.91Å; V115-W121 HydrophobicContact CG1-CZ3 4.44Å; V115-W121 HydrophobicContact CG2-CH2 3.68Å; V115-W121 HydrophobicContact CG2-CZ3 3.89Å
116N91.4Very high94.8Very high90 Ų9047.8 Ų47.848%0.48125%0.251SS..  trans-86168.6172.863.742000110.9S118 F119N116-S118 PolarHBondContact O-N 3.05Å; N116-S118 WeakPolarHBondContact OD1-CA 3.42Å; N116-S118 WeakPolarHBondContact OD1-CB 3.24Å; N116-S118 PolarHBondContact OD1-N 2.8Å; N116-S118 VanDerWaalsContact OD1-N 3.09Å; N116-S118 PolarHBondContact OD1-OG 3.24Å; N116-F119 VanDerWaalsContact O-CB 3.27Å; N116-F119 WeakPolarHBondContact O-CB 3.27Å; N116-F119 PolarHBondContact O-N 3.37Å; N116-F119 VanDerWaalsContact O-N 3.12Å; N116-F119 PolarHBondContact OD1-N 3.04Å; N116-F119 VanDerWaalsContact OD1-N 3.09Å
117D89.8Confident94.8Very high121 Ų12146.8 Ų46.865%0.64724%0.244SC*.THydrogen-bonded Turntrans-66.5-18.3179.960.1-6.6000114.4L110 F119L110-D117 HydrophobicContact CD1-CB 4.05Å; D117-F119 VanDerWaalsContact C-N 3.3Å
118S89.4Confident94.6Very high88 Ų8845.4 Ų45.462%0.61524%0.235SC*.THydrogen-bonded Turntrans-78.4-14.517478.60000113.5N116N116-S118 PolarHBondContact O-N 3.05Å; N116-S118 WeakPolarHBondContact OD1-CA 3.42Å; N116-S118 WeakPolarHBondContact OD1-CB 3.24Å; N116-S118 PolarHBondContact OD1-N 2.8Å; N116-S118 VanDerWaalsContact OD1-N 3.09Å; N116-S118 PolarHBondContact OD1-OG 3.24Å
119F88.6Confident94.4Very high81 Ų8145.4 Ų45.436%0.35524%0.236SC..  trans-69.5138-177.9-162.8-81.1000111.5V115 N116 D117 W121V115-F119 HydrophobicContact CB-CB 3.88Å; V115-F119 HydrophobicContact CB-CD1 4.48Å; V115-F119 HydrophobicContact CB-CD2 4.4Å; V115-F119 HydrophobicContact CB-CG 3.98Å; V115-F119 HydrophobicContact CG1-CB 4.49Å; V115-F119 HydrophobicContact CG1-CD1 4.32Å; V115-F119 HydrophobicContact CG1-CD2 4.18Å; V115-F119 HydrophobicContact CG1-CG 4.04Å; V115-F119 HydrophobicContact CG2-CB 4.3Å; N116-F119 VanDerWaalsContact O-CB 3.27Å; N116-F119 WeakPolarHBondContact O-CB 3.27Å; N116-F119 PolarHBondContact O-N 3.37Å; N116-F119 VanDerWaalsContact O-N 3.12Å; N116-F119 PolarHBondContact OD1-N 3.04Å; N116-F119 VanDerWaalsContact OD1-N 3.09Å; D117-F119 VanDerWaalsContact C-N 3.3Å; F119-W121 AromaticContact CD1-CD2 3.75Å; F119-W121 HydrophobicContact CD1-CD2 3.75Å; F119-W121 AromaticContact CD1-CE2 3.86Å; F119-W121 AromaticContact CD1-CE3 3.77Å; F119-W121 HydrophobicContact CD1-CE3 3.77Å; F119-W121 HydrophobicContact CD1-CG 4.35Å; F119-W121 HydrophobicContact CD1-CH2 4.02Å; F119-W121 AromaticContact CD1-CZ2 4Å; F119-W121 HydrophobicContact CD1-CZ2 4Å; F119-W121 AromaticContact CD1-CZ3 3.9Å; F119-W121 HydrophobicContact CD1-CZ3 3.9Å; F119-W121 AromaticContact CE1-CD1 3.66Å; F119-W121 AromaticContact CE1-CD2 3.29Å; F119-W121 HydrophobicContact CE1-CD2 3.29Å; F119-W121 AromaticContact CE1-CE2 3.15Å; F119-W121 AromaticContact CE1-CE3 3.84Å; F119-W121 HydrophobicContact CE1-CE3 3.84Å; F119-W121 AromaticContact CE1-CG 3.62Å; F119-W121 HydrophobicContact CE1-CG 3.62Å; F119-W121 HydrophobicContact CE1-CH2 4.09Å; F119-W121 AromaticContact CE1-CZ2 3.58Å; F119-W121 HydrophobicContact CE1-CZ2 3.58Å; F119-W121 HydrophobicContact CE1-CZ3 4.2Å; F119-W121 AromaticContact CE1-NE1 3.39Å; F119-W121 HydrophobicContact CZ-CD2 4.37Å; F119-W121 AromaticContact CZ-CE2 3.84Å; F119-W121 HydrophobicContact CZ-CZ2 4.13Å; F119-W121 AromaticContact CZ-NE1 3.77Å
120K92.3Very high93.9Very high113 Ų11345.8 Ų45.849%0.49124%0.24SC..  trans-136.9111.6177.9-62.7-71.7177.1151.10110.7P140 Y141K120-P140 WeakPolarHBondContact CD-O 3.35Å; K120-P140 WeakPolarHBondContact CE-O 3.44Å; K120-P140 PolarHBondContact NZ-O 3.12Å; K120-Y141 CarbonylContact C-O 3.59Å; K120-Y141 WeakPolarHBondContact CA-O 3.47Å
121W94.3Very high93.5Very high39 Ų3945.5 Ų45.515%0.14824%0.239CC..EExtended strand (participates in β ladder)trans-77.2167.7164.1-76.1-72.8000110.8L113 V115 F119 Y141 F142 K143 D188 V189L113-W121 HydrophobicContact CB-CH2 4.16Å; L113-W121 HydrophobicContact CD1-CH2 3.71Å; L113-W121 HydrophobicContact CD1-CZ3 3.64Å; V115-W121 HydrophobicContact CB-CH2 4.19Å; V115-W121 HydrophobicContact CG1-CH2 3.52Å; V115-W121 HydrophobicContact CG1-CZ2 3.91Å; V115-W121 HydrophobicContact CG1-CZ3 4.44Å; V115-W121 HydrophobicContact CG2-CH2 3.68Å; V115-W121 HydrophobicContact CG2-CZ3 3.89Å; F119-W121 AromaticContact CD1-CD2 3.75Å; F119-W121 HydrophobicContact CD1-CD2 3.75Å; F119-W121 AromaticContact CD1-CE2 3.86Å; F119-W121 AromaticContact CD1-CE3 3.77Å; F119-W121 HydrophobicContact CD1-CE3 3.77Å; F119-W121 HydrophobicContact CD1-CG 4.35Å; F119-W121 HydrophobicContact CD1-CH2 4.02Å; F119-W121 AromaticContact CD1-CZ2 4Å; F119-W121 HydrophobicContact CD1-CZ2 4Å; F119-W121 AromaticContact CD1-CZ3 3.9Å; F119-W121 HydrophobicContact CD1-CZ3 3.9Å; F119-W121 AromaticContact CE1-CD1 3.66Å; F119-W121 AromaticContact CE1-CD2 3.29Å; F119-W121 HydrophobicContact CE1-CD2 3.29Å; F119-W121 AromaticContact CE1-CE2 3.15Å; F119-W121 AromaticContact CE1-CE3 3.84Å; F119-W121 HydrophobicContact CE1-CE3 3.84Å; F119-W121 AromaticContact CE1-CG 3.62Å; F119-W121 HydrophobicContact CE1-CG 3.62Å; F119-W121 HydrophobicContact CE1-CH2 4.09Å; F119-W121 AromaticContact CE1-CZ2 3.58Å; F119-W121 HydrophobicContact CE1-CZ2 3.58Å; F119-W121 HydrophobicContact CE1-CZ3 4.2Å; F119-W121 AromaticContact CE1-NE1 3.39Å; F119-W121 HydrophobicContact CZ-CD2 4.37Å; F119-W121 AromaticContact CZ-CE2 3.84Å; F119-W121 HydrophobicContact CZ-CZ2 4.13Å; F119-W121 AromaticContact CZ-NE1 3.77Å; W121-Y141 PolarHBondContact N-O 2.92Å; W121-F142 HydrophobicContact CB-CD1 3.5Å; W121-F142 VanDerWaalsContact CB-CD1 3.5Å; W121-F142 HydrophobicContact CB-CE1 3.49Å; W121-F142 VanDerWaalsContact CB-CE1 3.49Å; W121-F142 HydrophobicContact CB-CZ 4.49Å; W121-F142 HydrophobicContact CD2-CE1 4.16Å; W121-F142 HydrophobicContact CD2-CZ 4.44Å; W121-F142 AromaticContact CE3-CE1 3.9Å; W121-F142 HydrophobicContact CE3-CE1 3.9Å; W121-F142 HydrophobicContact CE3-CE2 4.47Å; W121-F142 AromaticContact CE3-CZ 3.78Å; W121-F142 HydrophobicContact CE3-CZ 3.78Å; W121-F142 HydrophobicContact CG-CD1 4.5Å; W121-F142 HydrophobicContact CG-CE1 4.05Å; W121-F142 HydrophobicContact CZ3-CZ 4.47Å; W121-F142 WeakPolarHBondContact O-CA 3.31Å; W121-K143 PolarHBondContact O-N 2.88Å; W121-K143 VanDerWaalsContact O-N 3.07Å; W121-D188 HydrophobicContact CB-CB 3.92Å; W121-D188 HydrophobicContact CG-CB 4.06Å; W121-V189 HydrophobicContact CD2-CG2 4.3Å
122N94.8Very high93.2Very high62 Ų6239.3 Ų39.333%0.33222%0.216SC..EExtended strand (participates in β ladder)trans-82.1-52.9178.4-48.7-75.9000110.4K143 D144 D188 K214N122-K143 WeakPolarHBondContact O-CB 3.35Å; N122-K143 PolarHBondContact O-N 3.49Å; N122-K143 VanDerWaalsContact O-N 3.16Å; N122-K143 PolarHBondContact OD1-NZ 3.28Å; N122-D144 PolarHBondContact O-N 3.49Å; N122-D188 WeakPolarHBondContact CA-OD2 3.5Å; N122-D188 WeakPolarHBondContact CB-OD2 3.23Å; N122-D188 PolarHBondContact N-OD2 3.48Å; N122-D188 PolarHBondContact ND2-OD2 3.22Å; N122-K214 PolarHBondContact ND2-NZ 3.26Å
123S95.5Very high92.9Very high2 Ų241.3 Ų41.31%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-132.5130.8-169.254.90000114.9D144 F187 D188 V189S123-D144 WeakPolarHBondContact CA-O 3.5Å; S123-F187 WeakPolarHBondContact OG-CA 3.33Å; S123-D188 PolarHBondContact N-OD2 3Å; S123-D188 WeakPolarHBondContact O-CB 3.3Å; S123-D188 PolarHBondContact O-N 2.75Å; S123-D188 PolarHBondContact OG-N 3.01Å; S123-V189 PolarHBondContact O-N 3.02Å; S123-V189 VanDerWaalsContact O-N 3.08Å
124L97.5Very high92.8Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-109.9132.7167.3172.765.4000109.4M138 F142 D144 F146 V189L124-M138 HydrophobicContact CD1-SD 4.48Å; L124-M138 HydrophobicContact CD2-CB 3.7Å; L124-M138 HydrophobicContact CD2-CE 4.22Å; L124-M138 HydrophobicContact CD2-SD 4.35Å; L124-F142 HydrophobicContact CB-CB 4.12Å; L124-F142 HydrophobicContact CB-CD1 3.57Å; L124-F142 HydrophobicContact CB-CD2 3.75Å; L124-F142 HydrophobicContact CB-CE1 3.85Å; L124-F142 HydrophobicContact CB-CE2 4.04Å; L124-F142 HydrophobicContact CB-CG 3.51Å; L124-F142 HydrophobicContact CB-CZ 4.08Å; L124-F142 HydrophobicContact CD1-CE2 4.3Å; L124-F142 HydrophobicContact CD1-CZ 4.16Å; L124-F142 HydrophobicContact CD2-CD2 3.93Å; L124-F142 HydrophobicContact CD2-CE2 4.01Å; L124-F142 HydrophobicContact CG-CD2 4.36Å; L124-F142 HydrophobicContact CG-CE2 4.35Å; L124-D144 PolarHBondContact N-O 2.86Å; L124-F146 WeakPolarHBondContact O-CB 3.38Å; L124-F146 WeakPolarHBondContact O-CD2 3.34Å; L124-F146 PolarHBondContact O-N 3.23Å; L124-V189 CarbonylContact C-O 3.48Å; L124-V189 WeakPolarHBondContact CA-O 3.44Å; L124-V189 HydrophobicContact CD1-CB 4.06Å; L124-V189 HydrophobicContact CD1-CG1 3.8Å
125L97.7Very high92.9Very high0 Ų036 Ų360%020%0.199CC..EExtended strand (participates in β ladder)trans-112.3114.2161.3174.562.1000109.9L127 F146 T148 L166 W171 F187 V189 I190 S191L125-L127 HydrophobicContact CD1-CD2 4.33Å; L125-L127 HydrophobicContact CD2-CD2 3.88Å; L125-L127 HydrophobicContact CD2-CG 4.48Å; L125-L127 HydrophobicContact CG-CD2 3.94Å; L125-L127 HydrophobicContact CG-CG 4.3Å; L125-F146 CarbonylContact C-O 3.56Å; L125-F146 WeakPolarHBondContact CA-O 3.49Å; L125-F146 HydrophobicContact CB-CB 4.45Å; L125-F146 HydrophobicContact CD1-CB 3.76Å; L125-T148 HydrophobicContact CD1-CG2 4.16Å; L125-L166 HydrophobicContact CD1-CD1 3.96Å; L125-W171 HydrophobicContact CD2-CD2 4Å; L125-W171 HydrophobicContact CD2-CE3 3.4Å; L125-W171 HydrophobicContact CD2-CG 4.5Å; L125-W171 HydrophobicContact CD2-CZ3 3.91Å; L125-F187 HydrophobicContact CB-CD1 3.68Å; L125-F187 HydrophobicContact CB-CD2 4.2Å; L125-F187 HydrophobicContact CB-CE1 3.8Å; L125-F187 HydrophobicContact CB-CE2 4.3Å; L125-F187 HydrophobicContact CB-CG 3.9Å; L125-F187 HydrophobicContact CB-CZ 4.11Å; L125-F187 HydrophobicContact CD2-CD2 4.05Å; L125-F187 HydrophobicContact CD2-CE1 4.5Å; L125-F187 HydrophobicContact CD2-CE2 3.71Å; L125-F187 HydrophobicContact CD2-CZ 3.96Å; L125-F187 HydrophobicContact CG-CZ 4.47Å; L125-V189 PolarHBondContact N-O 3.5Å; L125-I190 HydrophobicContact CB-CG1 4.17Å; L125-I190 HydrophobicContact CD2-CD1 4.34Å; L125-I190 HydrophobicContact CD2-CG1 4.49Å; L125-I190 CarbonylContact O-C 3.55Å; L125-I190 VanDerWaalsContact O-CA 3.27Å; L125-I190 WeakPolarHBondContact O-CA 3.45Å; L125-S191 PolarHBondContact O-N 3.01Å
126D97.8Very high93.1Very high4 Ų438 Ų382%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-98.4109.7175.4-165.314.8000111.1A129 T135 M138 F146 V147 T148 S191D126-A129 HydrophobicContact CB-CB 4.26Å; D126-T135 HydrophobicContact CB-CG2 4.09Å; D126-T135 WeakPolarHBondContact OD2-CB 3.44Å; D126-T135 PolarHBondContact OD2-OG1 3.39Å; D126-M138 HydrophobicContact CB-CE 4.42Å; D126-M138 WeakPolarHBondContact OD2-CE 3.46Å; D126-F146 PolarHBondContact N-O 2.84Å; D126-V147 HydrophobicContact CB-CG1 4.21Å; D126-V147 CarbonylContact O-C 3.6Å; D126-V147 WeakPolarHBondContact O-CA 3.12Å; D126-T148 PolarHBondContact O-N 3.15Å; D126-S191 VanDerWaalsContact CA-OG 3.24Å; D126-S191 WeakPolarHBondContact CA-OG 3.44Å; D126-S191 WeakPolarHBondContact CB-OG 3.46Å; D126-S191 PolarHBondContact OD1-OG 2.91Å
127L95.6Very high93.2Very high3 Ų336.5 Ų36.52%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-85.8123.2-176.9-63.1173.4000110.5L125 T148 W171 I190 S191 L195 L205 I209L125-L127 HydrophobicContact CD1-CD2 4.33Å; L125-L127 HydrophobicContact CD2-CD2 3.88Å; L125-L127 HydrophobicContact CD2-CG 4.48Å; L125-L127 HydrophobicContact CG-CD2 3.94Å; L125-L127 HydrophobicContact CG-CG 4.3Å; L127-T148 WeakPolarHBondContact CA-OG1 3.44Å; L127-T148 HydrophobicContact CD2-CG2 3.93Å; L127-W171 HydrophobicContact CD1-CH2 4.34Å; L127-W171 HydrophobicContact CD1-CZ2 4.26Å; L127-W171 HydrophobicContact CD2-CD2 4.01Å; L127-W171 HydrophobicContact CD2-CE3 4.47Å; L127-W171 HydrophobicContact CD2-CG 4.38Å; L127-W171 HydrophobicContact CD2-CZ2 4.14Å; L127-I190 HydrophobicContact CD1-CG2 3.62Å; L127-I190 HydrophobicContact CG-CG2 3.95Å; L127-S191 WeakPolarHBondContact CB-O 3.16Å; L127-S191 PolarHBondContact N-O 2.73Å; L127-L195 HydrophobicContact CB-CD2 3.7Å; L127-L205 HydrophobicContact CD1-CD1 4.18Å; L127-I209 HydrophobicContact CD1-CD1 3.65Å; L127-I209 HydrophobicContact CD1-CG1 3.7Å
128G92.6Very high93.6Very high26 Ų2630.7 Ų30.727%0.26817%0.166SC..THydrogen-bonded Turntrans67.747.1-177.500000111.9G130 T148G128-G130 PolarHBondContact O-N 2.86Å; G128-T148 CarbonylContact C-O 3.49Å; G128-T148 VanDerWaalsContact CA-O 3.29Å; G128-T148 WeakPolarHBondContact CA-O 3.29Å; G128-T148 PolarHBondContact N-O 3.46Å; G128-T148 PolarHBondContact N-OG1 3.25Å
129A92.7Very high93.9Very high10 Ų1027.2 Ų27.28%0.08314%0.143CC..  trans-63.7-10-171.300000114.2D126 D131 G132 V147 T148 L158D126-A129 HydrophobicContact CB-CB 4.26Å; A129-D131 PolarHBondContact O-N 2.99Å; A129-G132 PolarHBondContact O-N 3.17Å; A129-V147 HydrophobicContact CB-CB 3.86Å; A129-V147 HydrophobicContact CB-CG1 3.97Å; A129-T148 PolarHBondContact N-O 3.26Å; A129-L158 HydrophobicContact CB-CD1 4.05Å; A129-L158 HydrophobicContact CB-CD2 3.78Å
130G88.3Confident94.3Very high9 Ų926.3 Ų26.39%0.09315%0.145CC..THydrogen-bonded Turntrans56-124.9-179.700000111G128 G132 E149 M154G128-G130 PolarHBondContact O-N 2.86Å; G130-G132 VanDerWaalsContact C-N 3.3Å; G130-G132 PolarHBondContact O-N 3.4Å; G130-E149 PolarHBondContact N-OE2 3.38Å; G130-M154 WeakPolarHBondContact O-CB 3.46Å
131D86.3Confident94.4Very high16 Ų1621.9 Ų21.99%0.08613%0.125CC..THydrogen-bonded Turntrans-82.9-4.8-178.382.3-20.7000114.7A129 N133 M154 R157A129-D131 PolarHBondContact O-N 2.99Å; D131-N133 WeakPolarHBondContact OD1-CB 3.26Å; D131-N133 PolarHBondContact OD1-N 2.82Å; D131-N133 PolarHBondContact OD1-ND2 3.01Å; D131-N133 PolarHBondContact OD2-ND2 3.07Å; D131-M154 HydrophobicContact CB-SD 3.93Å; D131-R157 IonicContact OD2-NH2 3.98Å; D131-R157 PolarHBondContact OD2-NH2 3.44Å
132G91.8Very high94.5Very high0 Ų020.5 Ų20.50%012%0.12CC..SBendtrans87.6-2.2177.800000115.8A129 G130 V134 T135 L136A129-G132 PolarHBondContact O-N 3.17Å; G130-G132 VanDerWaalsContact C-N 3.3Å; G130-G132 PolarHBondContact O-N 3.4Å; G132-V134 VanDerWaalsContact C-N 3.35Å; G132-V134 PolarHBondContact O-N 2.95Å; G132-T135 WeakPolarHBondContact O-CB 3.49Å; G132-T135 PolarHBondContact O-N 3.01Å; G132-L136 WeakPolarHBondContact O-CG 3.33Å; G132-L136 PolarHBondContact O-N 3.06Å
133N91.1Very high94.6Very high46 Ų4623.8 Ų23.825%0.24613%0.132CC..THydrogen-bonded Turntrans-66.2-35.6-175.1-73.5-25.9000113.2S100 D131S100-N133 PolarHBondContact OG-ND2 2.88Å; D131-N133 WeakPolarHBondContact OD1-CB 3.26Å; D131-N133 PolarHBondContact OD1-N 2.82Å; D131-N133 PolarHBondContact OD1-ND2 3.01Å; D131-N133 PolarHBondContact OD2-ND2 3.07Å
134V93.6Very high94.5Very high19 Ų1927.8 Ų27.812%0.11515%0.153CC..THydrogen-bonded Turntrans-72.7-41173.8-176.80000110.2V103 F104 G132 L136 K137 L193V103-V134 HydrophobicContact CB-CG1 4.07Å; V103-V134 HydrophobicContact CB-CG2 4.37Å; V103-V134 HydrophobicContact CG2-CG1 4.17Å; V103-V134 HydrophobicContact CG2-CG2 3.98Å; F104-V134 HydrophobicContact CE2-CG1 4.25Å; F104-V134 HydrophobicContact CZ-CG1 4.07Å; G132-V134 VanDerWaalsContact C-N 3.35Å; G132-V134 PolarHBondContact O-N 2.95Å; V134-L136 PolarHBondContact O-N 3.24Å; V134-K137 VanDerWaalsContact O-CB 3.31Å; V134-K137 WeakPolarHBondContact O-CB 3.28Å; V134-K137 PolarHBondContact O-N 2.56Å; V134-L193 HydrophobicContact CG1-CD1 3.53Å
135T96.8Very high94.5Very high0 Ų029.1 Ų29.10%016%0.16CC..Hα-helixtrans-55.9-39.5174.2-37.80000111.8D126 G132 K137 M138 A139 I145 V147 F163D126-T135 HydrophobicContact CB-CG2 4.09Å; D126-T135 WeakPolarHBondContact OD2-CB 3.44Å; D126-T135 PolarHBondContact OD2-OG1 3.39Å; G132-T135 WeakPolarHBondContact O-CB 3.49Å; G132-T135 PolarHBondContact O-N 3.01Å; T135-K137 PolarHBondContact O-N 2.97Å; T135-M138 PolarHBondContact O-N 2.84Å; T135-A139 WeakPolarHBondContact O-CB 3.29Å; T135-A139 PolarHBondContact O-N 3.2Å; T135-I145 HydrophobicContact CG2-CG2 3.86Å; T135-V147 HydrophobicContact CG2-CG1 3.9Å; T135-F163 HydrophobicContact CG2-CD2 4.26Å; T135-F163 HydrophobicContact CG2-CE1 4.43Å; T135-F163 HydrophobicContact CG2-CE2 3.75Å; T135-F163 HydrophobicContact CG2-CZ 3.84Å
136L96.5Very high94.4Very high68 Ų6829.2 Ų29.236%0.35616%0.16SC..Hα-helixtrans-62.5-22.7176.6-74.8169000113.9G132 V134 P140 H161 F163G132-L136 WeakPolarHBondContact O-CG 3.33Å; G132-L136 PolarHBondContact O-N 3.06Å; V134-L136 PolarHBondContact O-N 3.24Å; L136-P140 VanDerWaalsContact O-CD 3.26Å; L136-P140 WeakPolarHBondContact O-CD 3.31Å; L136-H161 HydrophobicContact CD2-CB 4.44Å; L136-F163 HydrophobicContact CD2-CE1 4.49Å; L136-F163 HydrophobicContact CD2-CZ 3.77Å; L136-F163 HydrophobicContact CG-CZ 4.07Å
137K95.4Very high94.4Very high59 Ų5929 Ų2926%0.25716%0.159SC..Hα-helixtrans-75.1-31.8173.3-52.9-56.9-179.7175.70111.9E55 F104 V134 T135 Y141E55-K137 WeakPolarHBondContact OE2-CE 3.43Å; E55-K137 IonicContact OE2-NZ 2.67Å; E55-K137 PolarHBondContact OE2-NZ 3.47Å; F104-K137 HydrophobicContact CD2-CB 4.38Å; F104-K137 HydrophobicContact CE2-CB 4.16Å; V134-K137 VanDerWaalsContact O-CB 3.31Å; V134-K137 WeakPolarHBondContact O-CB 3.28Å; V134-K137 PolarHBondContact O-N 2.56Å; T135-K137 PolarHBondContact O-N 2.97Å; K137-Y141 VanDerWaalsContact O-CE2 3.26Å; K137-Y141 WeakPolarHBondContact O-CE2 3.45Å
138M96.8Very high94.3Very high0 Ų029.2 Ų29.20%016%0.16CC..Hα-helixtrans-87.6-37.7179.4-58.5-173.4-79.200112.3F104 F109 L124 D126 T135 P140 Y141 F142 S191 L193F104-M138 HydrophobicContact CE2-CG 3.77Å; F104-M138 HydrophobicContact CE2-SD 4.39Å; F104-M138 HydrophobicContact CZ-CG 3.77Å; F104-M138 HydrophobicContact CZ-SD 3.77Å; F109-M138 HydrophobicContact CD2-CG 3.91Å; F109-M138 HydrophobicContact CD2-SD 4.39Å; F109-M138 HydrophobicContact CE1-CB 4.4Å; F109-M138 HydrophobicContact CE1-CG 4.33Å; F109-M138 HydrophobicContact CE2-CB 4.27Å; F109-M138 HydrophobicContact CE2-CG 3.46Å; F109-M138 VanDerWaalsContact CE2-CG 3.46Å; F109-M138 HydrophobicContact CE2-SD 3.63Å; F109-M138 HydrophobicContact CG-CG 4.47Å; F109-M138 HydrophobicContact CZ-CB 3.98Å; F109-M138 HydrophobicContact CZ-CG 3.69Å; F109-M138 HydrophobicContact CZ-SD 4.13Å; L124-M138 HydrophobicContact CD1-SD 4.48Å; L124-M138 HydrophobicContact CD2-CB 3.7Å; L124-M138 HydrophobicContact CD2-CE 4.22Å; L124-M138 HydrophobicContact CD2-SD 4.35Å; D126-M138 HydrophobicContact CB-CE 4.42Å; D126-M138 WeakPolarHBondContact OD2-CE 3.46Å; T135-M138 PolarHBondContact O-N 2.84Å; M138-P140 VanDerWaalsContact C-N 3.29Å; M138-P140 WeakPolarHBondContact O-CD 3.38Å; M138-P140 VanDerWaalsContact O-N 3.09Å; M138-Y141 VanDerWaalsContact O-CD2 3.27Å; M138-Y141 WeakPolarHBondContact O-CD2 3.36Å; M138-Y141 PolarHBondContact O-N 2.94Å; M138-F142 HydrophobicContact CB-CE2 4.3Å; M138-F142 VanDerWaalsContact O-CD2 3.27Å; M138-F142 WeakPolarHBondContact O-CD2 3.21Å; M138-S191 WeakPolarHBondContact CE-OG 3.3Å; M138-L193 HydrophobicContact CE-CD1 4.22Å
139A96.6Very high94.2Very high14 Ų1429.1 Ų29.112%0.11615%0.153CC..G310 helixtrans-48.8-38.6-171.600000114.9T135 Y141 F142 I145 F163T135-A139 WeakPolarHBondContact O-CB 3.29Å; T135-A139 PolarHBondContact O-N 3.2Å; A139-Y141 PolarHBondContact O-N 2.8Å; A139-F142 PolarHBondContact O-N 2.89Å; A139-I145 HydrophobicContact CB-CD1 4.29Å; A139-I145 HydrophobicContact CB-CG1 3.92Å; A139-F163 HydrophobicContact CB-CE1 4Å; A139-F163 HydrophobicContact CB-CZ 4.34Å
140P96.1Very high94Very high62 Ų6234.3 Ų34.340%0.40318%0.178SC..G310 helixtrans-58.7-17.1176.4-26.536.7000114.4K120 L136 M138K120-P140 WeakPolarHBondContact CD-O 3.35Å; K120-P140 WeakPolarHBondContact CE-O 3.44Å; K120-P140 PolarHBondContact NZ-O 3.12Å; L136-P140 VanDerWaalsContact O-CD 3.26Å; L136-P140 WeakPolarHBondContact O-CD 3.31Å; M138-P140 VanDerWaalsContact C-N 3.29Å; M138-P140 WeakPolarHBondContact O-CD 3.38Å; M138-P140 VanDerWaalsContact O-N 3.09Å
141Y95.7Very high93.7Very high20 Ų2034.4 Ų34.48%0.07818%0.177CC..G310 helixtrans-99.88.7-176-48.5-62.7000113.7S106 F109 L110 K120 W121 K137 M138 A139S106-Y141 WeakPolarHBondContact CB-OH 3.32Å; F109-Y141 AromaticContact CD1-CD2 3.61Å; F109-Y141 HydrophobicContact CD1-CD2 3.61Å; F109-Y141 AromaticContact CD1-CE2 3.71Å; F109-Y141 HydrophobicContact CD1-CE2 3.71Å; F109-Y141 AromaticContact CE1-CD2 3.47Å; F109-Y141 HydrophobicContact CE1-CD2 3.47Å; F109-Y141 VanDerWaalsContact CE1-CD2 3.47Å; F109-Y141 HydrophobicContact CE1-CE2 4.08Å; F109-Y141 HydrophobicContact CE1-CG 4.28Å; L110-Y141 HydrophobicContact CD1-CE1 3.87Å; L110-Y141 VanDerWaalsContact CD1-OH 3.27Å; L110-Y141 WeakPolarHBondContact CD1-OH 3.35Å; L110-Y141 HydrophobicContact CD2-CD1 3.79Å; L110-Y141 HydrophobicContact CD2-CD2 4.3Å; L110-Y141 HydrophobicContact CD2-CE1 3.53Å; L110-Y141 HydrophobicContact CD2-CE2 4.03Å; L110-Y141 HydrophobicContact CD2-CG 4.17Å; L110-Y141 HydrophobicContact CG-CE1 3.95Å; L110-Y141 HydrophobicContact CG-CE2 4.07Å; K120-Y141 CarbonylContact C-O 3.59Å; K120-Y141 WeakPolarHBondContact CA-O 3.47Å; W121-Y141 PolarHBondContact N-O 2.92Å; K137-Y141 VanDerWaalsContact O-CE2 3.26Å; K137-Y141 WeakPolarHBondContact O-CE2 3.45Å; M138-Y141 VanDerWaalsContact O-CD2 3.27Å; M138-Y141 WeakPolarHBondContact O-CD2 3.36Å; M138-Y141 PolarHBondContact O-N 2.94Å; A139-Y141 PolarHBondContact O-N 2.8Å
142F96.3Very high93.8Very high10 Ų1038.5 Ų38.54%0.04421%0.205CC..EExtended strand (participates in β ladder)trans-131.7152.4-177.2-61.1-89.7000111.5F109 W121 L124 M138 A139 I145 V189F109-F142 HydrophobicContact CE1-CE2 4.49Å; F109-F142 HydrophobicContact CZ-CE2 4.19Å; W121-F142 HydrophobicContact CB-CD1 3.5Å; W121-F142 VanDerWaalsContact CB-CD1 3.5Å; W121-F142 HydrophobicContact CB-CE1 3.49Å; W121-F142 VanDerWaalsContact CB-CE1 3.49Å; W121-F142 HydrophobicContact CB-CZ 4.49Å; W121-F142 HydrophobicContact CD2-CE1 4.16Å; W121-F142 HydrophobicContact CD2-CZ 4.44Å; W121-F142 AromaticContact CE3-CE1 3.9Å; W121-F142 HydrophobicContact CE3-CE1 3.9Å; W121-F142 HydrophobicContact CE3-CE2 4.47Å; W121-F142 AromaticContact CE3-CZ 3.78Å; W121-F142 HydrophobicContact CE3-CZ 3.78Å; W121-F142 HydrophobicContact CG-CD1 4.5Å; W121-F142 HydrophobicContact CG-CE1 4.05Å; W121-F142 HydrophobicContact CZ3-CZ 4.47Å; W121-F142 WeakPolarHBondContact O-CA 3.31Å; L124-F142 HydrophobicContact CB-CB 4.12Å; L124-F142 HydrophobicContact CB-CD1 3.57Å; L124-F142 HydrophobicContact CB-CD2 3.75Å; L124-F142 HydrophobicContact CB-CE1 3.85Å; L124-F142 HydrophobicContact CB-CE2 4.04Å; L124-F142 HydrophobicContact CB-CG 3.51Å; L124-F142 HydrophobicContact CB-CZ 4.08Å; L124-F142 HydrophobicContact CD1-CE2 4.3Å; L124-F142 HydrophobicContact CD1-CZ 4.16Å; L124-F142 HydrophobicContact CD2-CD2 3.93Å; L124-F142 HydrophobicContact CD2-CE2 4.01Å; L124-F142 HydrophobicContact CG-CD2 4.36Å; L124-F142 HydrophobicContact CG-CE2 4.35Å; M138-F142 HydrophobicContact CB-CE2 4.3Å; M138-F142 VanDerWaalsContact O-CD2 3.27Å; M138-F142 WeakPolarHBondContact O-CD2 3.21Å; A139-F142 PolarHBondContact O-N 2.89Å; F142-I145 HydrophobicContact CB-CD1 4.27Å; F142-I145 HydrophobicContact CB-CG1 4.35Å; F142-V189 HydrophobicContact CE1-CB 3.6Å; F142-V189 HydrophobicContact CE1-CG1 4.5Å; F142-V189 HydrophobicContact CE1-CG2 3.46Å; F142-V189 VanDerWaalsContact CE1-CG2 3.46Å; F142-V189 HydrophobicContact CZ-CB 3.71Å; F142-V189 HydrophobicContact CZ-CG1 4.13Å; F142-V189 HydrophobicContact CZ-CG2 3.6Å
143K95Very high93.6Very high131 Ų13139.4 Ų39.457%0.5721%0.21SC*.EExtended strand (participates in β ladder)trans-80.5-45.9172.9-63.3175.7-173.7164.70111.1W121 N122W121-K143 PolarHBondContact O-N 2.88Å; W121-K143 VanDerWaalsContact O-N 3.07Å; N122-K143 WeakPolarHBondContact O-CB 3.35Å; N122-K143 PolarHBondContact O-N 3.49Å; N122-K143 VanDerWaalsContact O-N 3.16Å; N122-K143 PolarHBondContact OD1-NZ 3.28Å
144D94.8Very high93.4Very high86 Ų8638.1 Ų38.146%0.4620%0.203SC..EExtended strand (participates in β ladder)trans-120.3126-176.8-59.8-61.8000110N122 S123 L124 F146N122-D144 PolarHBondContact O-N 3.49Å; S123-D144 WeakPolarHBondContact CA-O 3.5Å; L124-D144 PolarHBondContact N-O 2.86Å; D144-F146 HydrophobicContact CB-CD2 4.37Å; D144-F146 HydrophobicContact CB-CE2 3.48Å; D144-F146 VanDerWaalsContact CB-CE2 3.48Å; D144-F146 HydrophobicContact CB-CZ 3.92Å
145I96.6Very high93.3Very high28 Ų2840.7 Ų40.714%0.14421%0.211CC..EExtended strand (participates in β ladder)trans-113.9117.9-179.3-61.880.7000108.6T135 A139 F142 V147 F163 T164T135-I145 HydrophobicContact CG2-CG2 3.86Å; A139-I145 HydrophobicContact CB-CD1 4.29Å; A139-I145 HydrophobicContact CB-CG1 3.92Å; F142-I145 HydrophobicContact CB-CD1 4.27Å; F142-I145 HydrophobicContact CB-CG1 4.35Å; I145-V147 HydrophobicContact CG2-CG1 4.14Å; I145-F163 HydrophobicContact CB-CD1 3.83Å; I145-F163 HydrophobicContact CB-CE1 4.29Å; I145-F163 HydrophobicContact CG2-CB 4.34Å; I145-F163 HydrophobicContact CG2-CD1 3.48Å; I145-F163 VanDerWaalsContact CG2-CD1 3.48Å; I145-F163 HydrophobicContact CG2-CE1 3.85Å; I145-F163 HydrophobicContact CG2-CG 3.92Å; I145-T164 PolarHBondContact O-N 3.15Å
146F96.8Very high93Very high2 Ų247.4 Ų47.41%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-110.6142175-56.2-89.3000109.1L124 L125 D126 D144 T164 L166 K182 V183 P184 F187L124-F146 WeakPolarHBondContact O-CB 3.38Å; L124-F146 WeakPolarHBondContact O-CD2 3.34Å; L124-F146 PolarHBondContact O-N 3.23Å; L125-F146 CarbonylContact C-O 3.56Å; L125-F146 WeakPolarHBondContact CA-O 3.49Å; L125-F146 HydrophobicContact CB-CB 4.45Å; L125-F146 HydrophobicContact CD1-CB 3.76Å; D126-F146 PolarHBondContact N-O 2.84Å; D144-F146 HydrophobicContact CB-CD2 4.37Å; D144-F146 HydrophobicContact CB-CE2 3.48Å; D144-F146 VanDerWaalsContact CB-CE2 3.48Å; D144-F146 HydrophobicContact CB-CZ 3.92Å; F146-T164 CarbonylContact C-O 3.54Å; F146-T164 VanDerWaalsContact CA-O 3.27Å; F146-T164 WeakPolarHBondContact CA-O 3.36Å; F146-T164 HydrophobicContact CD1-CG2 3.73Å; F146-T164 HydrophobicContact CE1-CG2 3.88Å; F146-L166 HydrophobicContact CB-CD1 3.92Å; F146-L166 HydrophobicContact CB-CG 4.2Å; F146-L166 HydrophobicContact CD1-CD1 4.04Å; F146-L166 HydrophobicContact CD1-CD2 4.06Å; F146-L166 HydrophobicContact CD1-CG 4.13Å; F146-L166 HydrophobicContact CG-CD1 4.27Å; F146-K182 WeakPolarHBondContact CE1-O 3.38Å; F146-K182 VanDerWaalsContact CZ-O 3.29Å; F146-K182 WeakPolarHBondContact CZ-O 3.22Å; F146-V183 HydrophobicContact CD1-CG2 4.48Å; F146-V183 HydrophobicContact CE1-CB 4.34Å; F146-V183 HydrophobicContact CE1-CG1 4.33Å; F146-V183 HydrophobicContact CE1-CG2 4.03Å; F146-P184 VanDerWaalsContact CE2-CD 3.46Å; F146-P184 HydrophobicContact CE2-CG 3.96Å; F146-P184 HydrophobicContact CZ-CG 4.34Å; F146-F187 HydrophobicContact CB-CE1 4.17Å; F146-F187 HydrophobicContact CD2-CD1 4.21Å; F146-F187 AromaticContact CD2-CE1 3.56Å; F146-F187 HydrophobicContact CD2-CE1 3.56Å; F146-F187 HydrophobicContact CE2-CE1 4.11Å; F146-F187 AromaticContact CG-CE1 3.89Å; F146-F187 HydrophobicContact CG-CE1 3.89Å
147V96.9Very high92.7Very high0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-137.9147.8-178.5-61.60000110.6D126 A129 T135 I145 L158 F163 T164 I165 L166D126-V147 HydrophobicContact CB-CG1 4.21Å; D126-V147 CarbonylContact O-C 3.6Å; D126-V147 WeakPolarHBondContact O-CA 3.12Å; A129-V147 HydrophobicContact CB-CB 3.86Å; A129-V147 HydrophobicContact CB-CG1 3.97Å; T135-V147 HydrophobicContact CG2-CG1 3.9Å; I145-V147 HydrophobicContact CG2-CG1 4.14Å; V147-L158 HydrophobicContact CB-CD1 4.31Å; V147-L158 HydrophobicContact CG1-CD2 4.44Å; V147-L158 HydrophobicContact CG2-CB 4.06Å; V147-L158 HydrophobicContact CG2-CD1 3.88Å; V147-L158 HydrophobicContact CG2-CD2 4.32Å; V147-L158 HydrophobicContact CG2-CG 4.31Å; V147-F163 HydrophobicContact CG1-CB 3.97Å; V147-F163 HydrophobicContact CG1-CD2 3.92Å; V147-F163 HydrophobicContact CG1-CG 4.1Å; V147-F163 HydrophobicContact CG2-CB 3.84Å; V147-T164 PolarHBondContact N-O 3.34Å; V147-I165 HydrophobicContact CG2-CB 4.32Å; V147-I165 HydrophobicContact CG2-CG1 3.89Å; V147-I165 HydrophobicContact CG2-CG2 4.46Å; V147-I165 WeakPolarHBondContact O-CA 3.48Å; V147-L166 PolarHBondContact O-N 3.26Å
148T94.3Very high92.5Very high7 Ų743.3 Ų43.34%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-118.8144.8166.768.30000110.1L125 D126 L127 G128 A129 L166 W171L125-T148 HydrophobicContact CD1-CG2 4.16Å; D126-T148 PolarHBondContact O-N 3.15Å; L127-T148 WeakPolarHBondContact CA-OG1 3.44Å; L127-T148 HydrophobicContact CD2-CG2 3.93Å; G128-T148 CarbonylContact C-O 3.49Å; G128-T148 VanDerWaalsContact CA-O 3.29Å; G128-T148 WeakPolarHBondContact CA-O 3.29Å; G128-T148 PolarHBondContact N-O 3.46Å; G128-T148 PolarHBondContact N-OG1 3.25Å; A129-T148 PolarHBondContact N-O 3.26Å; T148-L166 HydrophobicContact CG2-CB 4.08Å; T148-W171 HydrophobicContact CG2-CB 4Å; T148-W171 HydrophobicContact CG2-CG 4.03Å
149E90.4Very high92.4Very high24 Ų2446 Ų4611%0.11223%0.234CC..  trans-160.8140.1174.4-177.938.8-129.100110.1G130 S151 M154 R155 L158G130-E149 PolarHBondContact N-OE2 3.38Å; E149-S151 WeakPolarHBondContact OE1-CB 3.32Å; E149-S151 PolarHBondContact OE1-N 3.02Å; E149-M154 HydrophobicContact CG-CB 3.35Å; E149-M154 HydrophobicContact CG-CG 4.28Å; E149-R155 HydrophobicContact CB-CG 4.04Å; E149-R155 HydrophobicContact CG-CG 4.44Å; E149-R155 VanDerWaalsContact O-CD 3.23Å; E149-R155 WeakPolarHBondContact O-CD 3.41Å; E149-R155 VanDerWaalsContact O-CG 3.29Å; E149-R155 WeakPolarHBondContact O-CG 3.37Å; E149-R155 PolarHBondContact O-NH1 2.9Å; E149-L158 HydrophobicContact CB-CD1 3.6Å; E149-L158 HydrophobicContact CG-CD1 4.2Å
150I87Confident92.2Very high119 Ų11952.1 Ų52.161%0.6126%0.257SS*.SBendtrans-83.8-34.8-178.2-165.6169.3000111.8P152 T234I150-P152 WeakPolarHBondContact O-CD 3.39Å; I150-T234 HydrophobicContact CD1-CG2 4.42Å
151S84Confident92.1Very high11 Ų1152.7 Ų52.78%0.07725%0.254CS..  trans-73122.7-178.3173.90000111.5E149 V153 M154 R155E149-S151 WeakPolarHBondContact OE1-CB 3.32Å; E149-S151 PolarHBondContact OE1-N 3.02Å; S151-V153 PolarHBondContact O-N 3.29Å; S151-V153 PolarHBondContact OG-N 3.18Å; S151-M154 PolarHBondContact O-N 3.44Å; S151-M154 VanDerWaalsContact O-N 3.13Å; S151-R155 WeakPolarHBondContact O-CG 3.49Å; S151-R155 PolarHBondContact O-N 3.43Å
152P88.5Confident92Very high102 Ų10254.8 Ų54.866%0.66228%0.283SS*.Hα-helixtrans-57.8-34.2176.5-26.835.8000113.7I150 W156I150-P152 WeakPolarHBondContact O-CD 3.39Å; P152-W156 PolarHBondContact O-N 3.38Å
153V86.4Confident92Very high19 Ų1955.3 Ų55.312%0.11529%0.285CS..Hα-helixtrans-67.4-44.2177.7178.90000110.9M87 L95 S151 W156 R157M87-V153 HydrophobicContact CE-CG2 3.27Å; L95-V153 HydrophobicContact CB-CG1 4.16Å; L95-V153 HydrophobicContact CD1-CG1 4.16Å; S151-V153 PolarHBondContact O-N 3.29Å; S151-V153 PolarHBondContact OG-N 3.18Å; V153-W156 WeakPolarHBondContact O-CB 3.44Å; V153-W156 PolarHBondContact O-N 3.26Å; V153-R157 PolarHBondContact O-N 2.79Å
154M86.5Confident92Very high20 Ų2051.5 Ų51.510%0.09927%0.273CS..Hα-helixtrans-68.8-40.9178.9-64.9-56.1-16600111T90 G130 D131 E149 S151 W156 R157 L158T90-M154 HydrophobicContact CG2-CE 4.47Å; G130-M154 WeakPolarHBondContact O-CB 3.46Å; D131-M154 HydrophobicContact CB-SD 3.93Å; E149-M154 HydrophobicContact CG-CB 3.35Å; E149-M154 HydrophobicContact CG-CG 4.28Å; S151-M154 PolarHBondContact O-N 3.44Å; S151-M154 VanDerWaalsContact O-N 3.13Å; M154-W156 VanDerWaalsContact C-N 3.28Å; M154-W156 PolarHBondContact O-N 3.44Å; M154-R157 WeakPolarHBondContact O-CA 3.48Å; M154-R157 WeakPolarHBondContact O-CB 3.4Å; M154-R157 PolarHBondContact O-N 3.43Å; M154-L158 VanDerWaalsContact O-CG 3.28Å; M154-L158 WeakPolarHBondContact O-CG 3.43Å; M154-L158 PolarHBondContact O-N 3.43Å
155R91.6Very high91.9Very high73 Ų7349.6 Ų49.628%0.27526%0.262SS..Hα-helixtrans-54.1-44.6168.9-67.5175.475.284.4-0.5111.6E149 S151 R157 L158 S159 I165 L166E149-R155 HydrophobicContact CB-CG 4.04Å; E149-R155 HydrophobicContact CG-CG 4.44Å; E149-R155 VanDerWaalsContact O-CD 3.23Å; E149-R155 WeakPolarHBondContact O-CD 3.41Å; E149-R155 VanDerWaalsContact O-CG 3.29Å; E149-R155 WeakPolarHBondContact O-CG 3.37Å; E149-R155 PolarHBondContact O-NH1 2.9Å; S151-R155 WeakPolarHBondContact O-CG 3.49Å; S151-R155 PolarHBondContact O-N 3.43Å; R155-R157 PolarHBondContact O-N 2.6Å; R155-L158 PolarHBondContact O-N 3.19Å; R155-S159 PolarHBondContact O-N 2.96Å; R155-I165 HydrophobicContact CB-CD1 4.24Å; R155-I165 HydrophobicContact CG-CG2 4.19Å; R155-I165 VanDerWaalsContact NH2-CG2 3.33Å; R155-I165 WeakPolarHBondContact O-CD1 3.33Å; R155-L166 PolarHBondContact NH1-O 3.47Å
156W90.9Very high91.8Very high140 Ų14048.9 Ų48.953%0.5326%0.258SS..Hα-helixtrans-60.3-43.5174.9172.587.5000112.1P152 V153 M154 S159 K160P152-W156 PolarHBondContact O-N 3.38Å; V153-W156 WeakPolarHBondContact O-CB 3.44Å; V153-W156 PolarHBondContact O-N 3.26Å; M154-W156 VanDerWaalsContact C-N 3.28Å; M154-W156 PolarHBondContact O-N 3.44Å; W156-S159 WeakPolarHBondContact O-CB 3.46Å; W156-S159 PolarHBondContact O-N 3.38Å; W156-S159 PolarHBondContact O-OG 2.84Å; W156-K160 VanDerWaalsContact CE2-CE 3.49Å; W156-K160 VanDerWaalsContact CZ2-CE 3.46Å; W156-K160 HydrophobicContact CZ2-CG 4.41Å; W156-K160 PolarHBondContact O-N 3.24Å
157R89.2Confident91.6Very high42 Ų4252 Ų5216%0.15828%0.275CS..Hα-helixtrans-62.2-46.6175.5-68.9177.961.1116.3-2.8112.4G94 D131 V153 M154 R155 S159 K160 H161G94-R157 VanDerWaalsContact O-CD 3.31Å; G94-R157 WeakPolarHBondContact O-CD 3.48Å; G94-R157 PolarHBondContact O-NH1 2.84Å; D131-R157 IonicContact OD2-NH2 3.98Å; D131-R157 PolarHBondContact OD2-NH2 3.44Å; V153-R157 PolarHBondContact O-N 2.79Å; M154-R157 WeakPolarHBondContact O-CA 3.48Å; M154-R157 WeakPolarHBondContact O-CB 3.4Å; M154-R157 PolarHBondContact O-N 3.43Å; R155-R157 PolarHBondContact O-N 2.6Å; R157-S159 PolarHBondContact O-N 3.17Å; R157-K160 WeakPolarHBondContact O-CA 3.36Å; R157-K160 VanDerWaalsContact O-CB 3.3Å; R157-K160 WeakPolarHBondContact O-CB 3.36Å; R157-K160 PolarHBondContact O-N 2.63Å; R157-H161 PolarHBondContact O-CD2 2.96Å; R157-H161 PolarHBondContact O-N 3.33Å
158L92.8Very high91.2Very high0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-57-38.6176.3-67.5167.5000111.5A129 V147 E149 M154 R155 K160 H161 F163 I165A129-L158 HydrophobicContact CB-CD1 4.05Å; A129-L158 HydrophobicContact CB-CD2 3.78Å; V147-L158 HydrophobicContact CB-CD1 4.31Å; V147-L158 HydrophobicContact CG1-CD2 4.44Å; V147-L158 HydrophobicContact CG2-CB 4.06Å; V147-L158 HydrophobicContact CG2-CD1 3.88Å; V147-L158 HydrophobicContact CG2-CD2 4.32Å; V147-L158 HydrophobicContact CG2-CG 4.31Å; E149-L158 HydrophobicContact CB-CD1 3.6Å; E149-L158 HydrophobicContact CG-CD1 4.2Å; M154-L158 VanDerWaalsContact O-CG 3.28Å; M154-L158 WeakPolarHBondContact O-CG 3.43Å; M154-L158 PolarHBondContact O-N 3.43Å; R155-L158 PolarHBondContact O-N 3.19Å; L158-K160 VanDerWaalsContact C-N 3.26Å; L158-K160 PolarHBondContact O-N 3.45Å; L158-H161 PolarHBondContact O-N 3.01Å; L158-H161 VanDerWaalsContact O-N 3.12Å; L158-F163 HydrophobicContact CB-CD2 4.46Å; L158-F163 HydrophobicContact CD2-CD2 3.91Å; L158-F163 HydrophobicContact CD2-CE2 4.29Å; L158-I165 HydrophobicContact CB-CD1 4.31Å; L158-I165 HydrophobicContact CB-CG1 4.28Å
159S93.4Very high90.8Very high57 Ų5759.2 Ų59.240%0.39932%0.315SS..Hα-helixtrans-63.5-30.4175.681.70000113R155 W156 R157 H161 G162R155-S159 PolarHBondContact O-N 2.96Å; W156-S159 WeakPolarHBondContact O-CB 3.46Å; W156-S159 PolarHBondContact O-N 3.38Å; W156-S159 PolarHBondContact O-OG 2.84Å; R157-S159 PolarHBondContact O-N 3.17Å; S159-H161 VanDerWaalsContact C-N 3.27Å; S159-H161 PolarHBondContact O-N 2.98Å; S159-G162 PolarHBondContact O-N 2.97Å; S159-G162 VanDerWaalsContact O-N 3.15Å
160K93.9Very high90.6Very high141 Ų14159.9 Ų59.961%0.61332%0.322SS*.Hα-helixtrans-70.8-22.2176.4-62.4-62.2-176-1800113W156 R157 L158 G162W156-K160 VanDerWaalsContact CE2-CE 3.49Å; W156-K160 VanDerWaalsContact CZ2-CE 3.46Å; W156-K160 HydrophobicContact CZ2-CG 4.41Å; W156-K160 PolarHBondContact O-N 3.24Å; R157-K160 WeakPolarHBondContact O-CA 3.36Å; R157-K160 VanDerWaalsContact O-CB 3.3Å; R157-K160 WeakPolarHBondContact O-CB 3.36Å; R157-K160 PolarHBondContact O-N 2.63Å; L158-K160 VanDerWaalsContact C-N 3.26Å; L158-K160 PolarHBondContact O-N 3.45Å; K160-G162 VanDerWaalsContact C-N 3.29Å
161H93.8Very high90.7Very high74 Ų7454.6 Ų54.634%0.34330%0.295SS..THydrogen-bonded Turntrans-84-3.2172.4-64.5-59000113.4L136 R157 L158 S159 F163L136-H161 HydrophobicContact CD2-CB 4.44Å; R157-H161 PolarHBondContact O-CD2 2.96Å; R157-H161 PolarHBondContact O-N 3.33Å; L158-H161 PolarHBondContact O-N 3.01Å; L158-H161 VanDerWaalsContact O-N 3.12Å; S159-H161 VanDerWaalsContact C-N 3.27Å; S159-H161 PolarHBondContact O-N 2.98Å; H161-F163 VanDerWaalsContact C-N 3.32Å; H161-F163 HydrophobicContact CB-CD1 4.33Å; H161-F163 HydrophobicContact CB-CD2 3.75Å; H161-F163 HydrophobicContact CB-CE1 4.12Å; H161-F163 HydrophobicContact CB-CE2 3.52Å; H161-F163 HydrophobicContact CB-CG 4.17Å; H161-F163 HydrophobicContact CB-CZ 3.73Å
162G93.9Very high90.3Very high65 Ų6555.8 Ų55.867%0.6731%0.309SS*.THydrogen-bonded Turntrans7912-179.100000114.4S159 K160S159-G162 PolarHBondContact O-N 2.97Å; S159-G162 VanDerWaalsContact O-N 3.15Å; K160-G162 VanDerWaalsContact C-N 3.29Å
163F95.2Very high89.2Confident21 Ų2155.1 Ų55.19%0.09230%0.299CS..  trans-72.5148.6177.3-55.7-33.4000111.9T135 L136 A139 I145 V147 L158 H161 I165T135-F163 HydrophobicContact CG2-CD2 4.26Å; T135-F163 HydrophobicContact CG2-CE1 4.43Å; T135-F163 HydrophobicContact CG2-CE2 3.75Å; T135-F163 HydrophobicContact CG2-CZ 3.84Å; L136-F163 HydrophobicContact CD2-CE1 4.49Å; L136-F163 HydrophobicContact CD2-CZ 3.77Å; L136-F163 HydrophobicContact CG-CZ 4.07Å; A139-F163 HydrophobicContact CB-CE1 4Å; A139-F163 HydrophobicContact CB-CZ 4.34Å; I145-F163 HydrophobicContact CB-CD1 3.83Å; I145-F163 HydrophobicContact CB-CE1 4.29Å; I145-F163 HydrophobicContact CG2-CB 4.34Å; I145-F163 HydrophobicContact CG2-CD1 3.48Å; I145-F163 VanDerWaalsContact CG2-CD1 3.48Å; I145-F163 HydrophobicContact CG2-CE1 3.85Å; I145-F163 HydrophobicContact CG2-CG 3.92Å; V147-F163 HydrophobicContact CG1-CB 3.97Å; V147-F163 HydrophobicContact CG1-CD2 3.92Å; V147-F163 HydrophobicContact CG1-CG 4.1Å; V147-F163 HydrophobicContact CG2-CB 3.84Å; L158-F163 HydrophobicContact CB-CD2 4.46Å; L158-F163 HydrophobicContact CD2-CD2 3.91Å; L158-F163 HydrophobicContact CD2-CE2 4.29Å; H161-F163 VanDerWaalsContact C-N 3.32Å; H161-F163 HydrophobicContact CB-CD1 4.33Å; H161-F163 HydrophobicContact CB-CD2 3.75Å; H161-F163 HydrophobicContact CB-CE1 4.12Å; H161-F163 HydrophobicContact CB-CE2 3.52Å; H161-F163 HydrophobicContact CB-CG 4.17Å; H161-F163 HydrophobicContact CB-CZ 3.73Å; F163-I165 PolarHBondContact O-N 3.13Å
164T94.7Very high87.8Confident51 Ų5154.9 Ų54.931%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-84.2110.8173.6-61.50000109.5I145 F146 V147 L166I145-T164 PolarHBondContact O-N 3.15Å; F146-T164 CarbonylContact C-O 3.54Å; F146-T164 VanDerWaalsContact CA-O 3.27Å; F146-T164 WeakPolarHBondContact CA-O 3.36Å; F146-T164 HydrophobicContact CD1-CG2 3.73Å; F146-T164 HydrophobicContact CE1-CG2 3.88Å; V147-T164 PolarHBondContact N-O 3.34Å; T164-L166 HydrophobicContact CG2-CD2 4.23Å; T164-L166 PolarHBondContact O-N 3.14Å
165I94.1Very high86.2Confident46 Ų4656.5 Ų56.524%0.23631%0.307CS..EExtended strand (participates in β ladder)trans-85.3120.1-177-50.9165.1000109.5V147 R155 L158 F163V147-I165 HydrophobicContact CG2-CB 4.32Å; V147-I165 HydrophobicContact CG2-CG1 3.89Å; V147-I165 HydrophobicContact CG2-CG2 4.46Å; V147-I165 WeakPolarHBondContact O-CA 3.48Å; R155-I165 HydrophobicContact CB-CD1 4.24Å; R155-I165 HydrophobicContact CG-CG2 4.19Å; R155-I165 VanDerWaalsContact NH2-CG2 3.33Å; R155-I165 WeakPolarHBondContact O-CD1 3.33Å; L158-I165 HydrophobicContact CB-CD1 4.31Å; L158-I165 HydrophobicContact CB-CG1 4.28Å; F163-I165 PolarHBondContact O-N 3.13Å
166L93.9Very high84.5Confident12 Ų1261.8 Ų61.86%0.06333%0.331CS..EExtended strand (participates in β ladder)trans-94.3163.3173-57.3-174.6000110.9L125 F146 V147 T148 R155 T164 W171 V183 F187L125-L166 HydrophobicContact CD1-CD1 3.96Å; F146-L166 HydrophobicContact CB-CD1 3.92Å; F146-L166 HydrophobicContact CB-CG 4.2Å; F146-L166 HydrophobicContact CD1-CD1 4.04Å; F146-L166 HydrophobicContact CD1-CD2 4.06Å; F146-L166 HydrophobicContact CD1-CG 4.13Å; F146-L166 HydrophobicContact CG-CD1 4.27Å; V147-L166 PolarHBondContact O-N 3.26Å; T148-L166 HydrophobicContact CG2-CB 4.08Å; R155-L166 PolarHBondContact NH1-O 3.47Å; T164-L166 HydrophobicContact CG2-CD2 4.23Å; T164-L166 PolarHBondContact O-N 3.14Å; L166-W171 HydrophobicContact CB-CB 3.98Å; L166-W171 HydrophobicContact CD1-CB 4.03Å; L166-V183 HydrophobicContact CD1-CG1 4.16Å; L166-V183 HydrophobicContact CD2-CG2 3.78Å; L166-F187 HydrophobicContact CD1-CZ 4.2Å
167D91.1Very high82.6Confident67 Ų6762.5 Ų62.536%0.35834%0.341SS..PPolyproline II helixtrans-81.9139.7174.9172.7-99.8000110.8D169 S170 W171D167-D169 VanDerWaalsContact C-N 3.27Å; D167-D169 PolarHBondContact O-N 3.41Å; D167-D169 PolarHBondContact OD1-N 3.35Å; D167-D169 VanDerWaalsContact OD1-N 3.08Å; D167-S170 VanDerWaalsContact CB-OG 3.27Å; D167-S170 WeakPolarHBondContact CB-OG 3.35Å; D167-S170 PolarHBondContact O-N 3.32Å; D167-S170 WeakPolarHBondContact OD1-CB 3.08Å; D167-S170 PolarHBondContact OD1-N 2.98Å; D167-S170 PolarHBondContact OD1-OG 3.21Å; D167-W171 WeakPolarHBondContact O-CB 3.37Å; D167-W171 VanDerWaalsContact O-CD1 3.32Å; D167-W171 PolarHBondContact O-N 3.22Å
168V89.1Confident80.8Confident42 Ų4265.7 Ų65.726%0.25536%0.36SS..THydrogen-bonded Turntrans-67.7-27.5-172.2-67.20000112.7W171V168-W171 PolarHBondContact O-NE1 3.03Å; V168-W171 VanDerWaalsContact O-NE1 3.09Å
169D85.9Confident78.8Confident117 Ų11773.4 Ų73.463%0.62640%0.402SS*.THydrogen-bonded Turntrans-92.1-32-177.4-64.5-47000111.4D167 R208D167-D169 VanDerWaalsContact C-N 3.27Å; D167-D169 PolarHBondContact O-N 3.41Å; D167-D169 PolarHBondContact OD1-N 3.35Å; D167-D169 VanDerWaalsContact OD1-N 3.08Å; D169-R208 PolarHBondContact O-NH2 3.44Å
170S86Confident76.8Confident39 Ų3973.6 Ų73.627%0.27340%0.4SS..THydrogen-bonded Turntrans-111.7-0.9-170.660.20000116.4D167 G172 L173 V174D167-S170 VanDerWaalsContact CB-OG 3.27Å; D167-S170 WeakPolarHBondContact CB-OG 3.35Å; D167-S170 PolarHBondContact O-N 3.32Å; D167-S170 WeakPolarHBondContact OD1-CB 3.08Å; D167-S170 PolarHBondContact OD1-N 2.98Å; D167-S170 PolarHBondContact OD1-OG 3.21Å; S170-G172 PolarHBondContact O-N 3.09Å; S170-L173 WeakPolarHBondContact O-CA 3.45Å; S170-L173 PolarHBondContact O-N 3.36Å; S170-V174 WeakPolarHBondContact O-CG2 3.27Å; S170-V174 PolarHBondContact O-N 3.08Å; S170-V174 VanDerWaalsContact O-N 3.12Å
171W89.6Confident75.3Confident8 Ų873.4 Ų73.43%0.0341%0.414CS..THydrogen-bonded Turntrans-51.3-31.6-178.959.2-94.8000115.1L125 L127 T148 L166 D167 V168 I190 L205 R208 I209 A212L125-W171 HydrophobicContact CD2-CD2 4Å; L125-W171 HydrophobicContact CD2-CE3 3.4Å; L125-W171 HydrophobicContact CD2-CG 4.5Å; L125-W171 HydrophobicContact CD2-CZ3 3.91Å; L127-W171 HydrophobicContact CD1-CH2 4.34Å; L127-W171 HydrophobicContact CD1-CZ2 4.26Å; L127-W171 HydrophobicContact CD2-CD2 4.01Å; L127-W171 HydrophobicContact CD2-CE3 4.47Å; L127-W171 HydrophobicContact CD2-CG 4.38Å; L127-W171 HydrophobicContact CD2-CZ2 4.14Å; T148-W171 HydrophobicContact CG2-CB 4Å; T148-W171 HydrophobicContact CG2-CG 4.03Å; L166-W171 HydrophobicContact CB-CB 3.98Å; L166-W171 HydrophobicContact CD1-CB 4.03Å; D167-W171 WeakPolarHBondContact O-CB 3.37Å; D167-W171 VanDerWaalsContact O-CD1 3.32Å; D167-W171 PolarHBondContact O-N 3.22Å; V168-W171 PolarHBondContact O-NE1 3.03Å; V168-W171 VanDerWaalsContact O-NE1 3.09Å; W171-I190 HydrophobicContact CZ3-CD1 4.43Å; W171-L205 HydrophobicContact CH2-CD1 4.45Å; W171-L205 HydrophobicContact CZ2-CD1 3.7Å; W171-R208 HydrophobicContact CH2-CB 3.72Å; W171-R208 HydrophobicContact CZ2-CB 3.97Å; W171-R208 VanDerWaalsContact NE1-NH2 3.15Å; W171-I209 HydrophobicContact CH2-CG1 3.98Å; W171-A212 HydrophobicContact CE3-CB 4.48Å; W171-A212 HydrophobicContact CZ3-CB 3.73Å
172G74.8Confident74.5Confident36 Ų3677.6 Ų77.637%0.37143%0.431SS..THydrogen-bonded Turntrans-84.6-11.8177.900000114.3S170S170-G172 PolarHBondContact O-N 3.09Å
173L66.7Low74Confident87 Ų8775.2 Ų75.246%0.45540%0.403SS..THydrogen-bonded Turntrans-104.1-18.5-177.4-59.7177.1000112.8S170 N175 K176S170-L173 WeakPolarHBondContact O-CA 3.45Å; S170-L173 PolarHBondContact O-N 3.36Å; L173-N175 PolarHBondContact O-N 2.78Å; L173-K176 PolarHBondContact O-N 3.48Å
174V57.1Low73.6Confident14 Ų1476 Ų769%0.08541%0.41CS..Hα-helixtrans-53-29.8-166.5-171.60000113.6S170 L178 V183S170-V174 WeakPolarHBondContact O-CG2 3.27Å; S170-V174 PolarHBondContact O-N 3.08Å; S170-V174 VanDerWaalsContact O-N 3.12Å; V174-L178 HydrophobicContact CG1-CD1 4.27Å; V174-L178 PolarHBondContact O-N 3.38Å; V174-V183 HydrophobicContact CG1-CB 4.29Å; V174-V183 HydrophobicContact CG1-CG2 3.95Å
175N53.5Low73.1Confident55 Ų5577.8 Ų77.829%0.29443%0.425SS..Hα-helixtrans-89.1-13.1179.1-73.8-45.1000116.5L173 V183 P184 S185L173-N175 PolarHBondContact O-N 2.78Å; N175-V183 VanDerWaalsContact ND2-C 3.28Å; N175-V183 PolarHBondContact ND2-O 2.93Å; N175-V183 PolarHBondContact OD1-O 2.73Å; N175-P184 PolarHBondContact ND2-O 2.89Å; N175-S185 WeakPolarHBondContact ND2-CA 3.35Å; N175-S185 PolarHBondContact ND2-N 3.46Å
176K54.8Low73Confident183 Ų18378.6 Ų78.680%0.79643%0.428SS*.Hα-helixtrans-84.7-25.2176.4-71.5-174.1178.31770112.4L173L173-K176 PolarHBondContact O-N 3.48Å
177E50.7Low73.1Confident155 Ų15578.2 Ų78.272%0.72443%0.426SS*.Hα-helixtrans-122.3-20.8-166.8-67-177.3168.900115.5
178L52.5Low73.3Confident109 Ų10975.7 Ų75.757%0.57141%0.412SS*.SBendtrans-110.6-5.8-166.6-75.4162.7000116.7V174 T180V174-L178 HydrophobicContact CG1-CD1 4.27Å; V174-L178 PolarHBondContact O-N 3.38Å; L178-T180 HydrophobicContact CB-CG2 4.13Å; L178-T180 PolarHBondContact O-N 2.86Å
179N49.9Very low73.7Confident163 Ų16373.7 Ų73.787%0.87240%0.4SS*.  trans44.128.2-177-86.9-22.2000113.4P181N179-P181 VanDerWaalsContact O-CD 3.26Å; N179-P181 WeakPolarHBondContact O-CD 3.24Å
180T52Low74.3Confident60 Ų6068.1 Ų68.137%0.36837%0.37SS..  trans-85.5111.1176.550.50000107.2L178 K182L178-T180 HydrophobicContact CB-CG2 4.13Å; L178-T180 PolarHBondContact O-N 2.86Å; T180-K182 PolarHBondContact O-N 2.61Å
181P61.5Low74.9Confident138 Ų13866.2 Ų66.290%0.89636%0.357SS*.THydrogen-bonded Turntrans-68.38.2-170.927.1-35.1000114.6N179N179-P181 VanDerWaalsContact O-CD 3.26Å; N179-P181 WeakPolarHBondContact O-CD 3.24Å
182K76.9Confident75.3Confident161 Ų16165.9 Ų65.970%0.736%0.356SS*.THydrogen-bonded Turntrans-96.9-21.7-169.9-119.7-173.6178.9-172.50114.7F146 T180F146-K182 WeakPolarHBondContact CE1-O 3.38Å; F146-K182 VanDerWaalsContact CZ-O 3.29Å; F146-K182 WeakPolarHBondContact CZ-O 3.22Å; T180-K182 PolarHBondContact O-N 2.61Å
183V83.9Confident76.3Confident15 Ų1565 Ų659%0.09134%0.342CS..SBendtrans-105133.9-178.8-172.70000108.5F146 L166 V174 N175 F187F146-V183 HydrophobicContact CD1-CG2 4.48Å; F146-V183 HydrophobicContact CE1-CB 4.34Å; F146-V183 HydrophobicContact CE1-CG1 4.33Å; F146-V183 HydrophobicContact CE1-CG2 4.03Å; L166-V183 HydrophobicContact CD1-CG1 4.16Å; L166-V183 HydrophobicContact CD2-CG2 3.78Å; V174-V183 HydrophobicContact CG1-CB 4.29Å; V174-V183 HydrophobicContact CG1-CG2 3.95Å; N175-V183 VanDerWaalsContact ND2-C 3.28Å; N175-V183 PolarHBondContact ND2-O 2.93Å; N175-V183 PolarHBondContact OD1-O 2.73Å; V183-F187 HydrophobicContact CG1-CZ 3.95Å
184P87.2Confident77.4Confident37 Ų3761.4 Ų61.424%0.2432%0.324CS..  trans-77.7141.1-179.331.9-37.2000111.7F146 N175 H186 F187F146-P184 VanDerWaalsContact CE2-CD 3.46Å; F146-P184 HydrophobicContact CE2-CG 3.96Å; F146-P184 HydrophobicContact CZ-CG 4.34Å; N175-P184 PolarHBondContact ND2-O 2.89Å; P184-H186 PolarHBondContact O-N 3.34Å; P184-H186 VanDerWaalsContact O-N 3.1Å; P184-F187 HydrophobicContact CG-CD1 3.83Å; P184-F187 HydrophobicContact CG-CE1 3.66Å; P184-F187 HydrophobicContact CG-CZ 4.29Å
185S84.9Confident79.1Confident89 Ų8962.6 Ų62.662%0.62233%0.329SS*.SBendtrans-56.8-30-178.561.70000113.3N175N175-S185 WeakPolarHBondContact ND2-CA 3.35Å; N175-S185 PolarHBondContact ND2-N 3.46Å
186H92Very high80.9Confident64 Ų6460 Ų6030%0.29632%0.315SS..SBendtrans-140.9149172.3-5780.4000110.3P184 A212 L213 K214P184-H186 PolarHBondContact O-N 3.34Å; P184-H186 VanDerWaalsContact O-N 3.1Å; H186-A212 CarbonylContact C-O 3.49Å; H186-A212 WeakPolarHBondContact CA-O 3.35Å; H186-L213 PolarHBondContact CD2-O 2.98Å; H186-L213 VanDerWaalsContact CD2-O 3.29Å; H186-K214 HydrophobicContact CB-CB 4.36Å; H186-K214 HydrophobicContact CB-CG 3.7Å
187F95.3Very high82.4Confident4 Ų451.9 Ų51.92%0.01828%0.281CS..BIsolated β-bridgetrans-93.1142.4179.6-62.8-83.3000111.9S123 L125 F146 L166 V183 P184 I190 A212 K214S123-F187 WeakPolarHBondContact OG-CA 3.33Å; L125-F187 HydrophobicContact CB-CD1 3.68Å; L125-F187 HydrophobicContact CB-CD2 4.2Å; L125-F187 HydrophobicContact CB-CE1 3.8Å; L125-F187 HydrophobicContact CB-CE2 4.3Å; L125-F187 HydrophobicContact CB-CG 3.9Å; L125-F187 HydrophobicContact CB-CZ 4.11Å; L125-F187 HydrophobicContact CD2-CD2 4.05Å; L125-F187 HydrophobicContact CD2-CE1 4.5Å; L125-F187 HydrophobicContact CD2-CE2 3.71Å; L125-F187 HydrophobicContact CD2-CZ 3.96Å; L125-F187 HydrophobicContact CG-CZ 4.47Å; F146-F187 HydrophobicContact CB-CE1 4.17Å; F146-F187 HydrophobicContact CD2-CD1 4.21Å; F146-F187 AromaticContact CD2-CE1 3.56Å; F146-F187 HydrophobicContact CD2-CE1 3.56Å; F146-F187 HydrophobicContact CE2-CE1 4.11Å; F146-F187 AromaticContact CG-CE1 3.89Å; F146-F187 HydrophobicContact CG-CE1 3.89Å; L166-F187 HydrophobicContact CD1-CZ 4.2Å; V183-F187 HydrophobicContact CG1-CZ 3.95Å; P184-F187 HydrophobicContact CG-CD1 3.83Å; P184-F187 HydrophobicContact CG-CE1 3.66Å; P184-F187 HydrophobicContact CG-CZ 4.29Å; F187-I190 HydrophobicContact CB-CD1 4.27Å; F187-I190 HydrophobicContact CB-CG1 3.79Å; F187-I190 HydrophobicContact CD2-CD1 4.06Å; F187-I190 HydrophobicContact CD2-CG1 4.3Å; F187-I190 HydrophobicContact CG-CD1 4.48Å; F187-I190 HydrophobicContact CG-CG1 4.24Å; F187-A212 HydrophobicContact CD2-CB 4.26Å; F187-A212 PolarHBondContact N-O 2.96Å; F187-K214 WeakPolarHBondContact O-CG 3.41Å; F187-K214 PolarHBondContact O-N 3.49Å
188D96Very high84Confident13 Ų1349.8 Ų49.87%0.0727%0.266CS..SBendtrans-66.8-43.9169-74.5-65.6000110.2W121 N122 S123 K214 G218 I219W121-D188 HydrophobicContact CB-CB 3.92Å; W121-D188 HydrophobicContact CG-CB 4.06Å; N122-D188 WeakPolarHBondContact CA-OD2 3.5Å; N122-D188 WeakPolarHBondContact CB-OD2 3.23Å; N122-D188 PolarHBondContact N-OD2 3.48Å; N122-D188 PolarHBondContact ND2-OD2 3.22Å; S123-D188 PolarHBondContact N-OD2 3Å; S123-D188 WeakPolarHBondContact O-CB 3.3Å; S123-D188 PolarHBondContact O-N 2.75Å; S123-D188 PolarHBondContact OG-N 3.01Å; D188-K214 VanDerWaalsContact OD1-CD 3.26Å; D188-K214 WeakPolarHBondContact OD1-CD 3.46Å; D188-K214 VanDerWaalsContact OD1-CE 3.29Å; D188-K214 WeakPolarHBondContact OD1-CE 3.39Å; D188-K214 IonicContact OD1-NZ 3.04Å; D188-K214 PolarHBondContact OD1-NZ 3.11Å; D188-K214 IonicContact OD2-NZ 3.34Å; D188-K214 PolarHBondContact OD2-NZ 2.82Å; D188-G218 VanDerWaalsContact O-CA 3.31Å; D188-G218 WeakPolarHBondContact O-CA 3.44Å; D188-I219 PolarHBondContact O-N 3.02Å; D188-I219 VanDerWaalsContact O-N 3.07Å
189V97.5Very high85.5Confident0 Ų045.7 Ų45.70%025%0.246CC..EExtended strand (participates in β ladder)trans-135135.7179.7-178.70000110.1W121 S123 L124 L125 F142 I219 I221W121-V189 HydrophobicContact CD2-CG2 4.3Å; S123-V189 PolarHBondContact O-N 3.02Å; S123-V189 VanDerWaalsContact O-N 3.08Å; L124-V189 CarbonylContact C-O 3.48Å; L124-V189 WeakPolarHBondContact CA-O 3.44Å; L124-V189 HydrophobicContact CD1-CB 4.06Å; L124-V189 HydrophobicContact CD1-CG1 3.8Å; L125-V189 PolarHBondContact N-O 3.5Å; F142-V189 HydrophobicContact CE1-CB 3.6Å; F142-V189 HydrophobicContact CE1-CG1 4.5Å; F142-V189 HydrophobicContact CE1-CG2 3.46Å; F142-V189 VanDerWaalsContact CE1-CG2 3.46Å; F142-V189 HydrophobicContact CZ-CB 3.71Å; F142-V189 HydrophobicContact CZ-CG1 4.13Å; F142-V189 HydrophobicContact CZ-CG2 3.6Å; V189-I219 WeakPolarHBondContact CA-O 3.49Å; V189-I219 HydrophobicContact CB-CG1 4.36Å; V189-I219 HydrophobicContact CG1-CG1 4.27Å; V189-I219 HydrophobicContact CG2-CD1 3.95Å; V189-I219 HydrophobicContact CG2-CG1 3.62Å; V189-I221 HydrophobicContact CG1-CD1 3.66Å; V189-I221 HydrophobicContact CG1-CG1 3.88Å
190I98.1Very high87.4Confident0 Ų040.2 Ų40.20%022%0.219CC..EExtended strand (participates in β ladder)trans-116.6125.9165-59.4-176.7000107.6L125 L127 W171 F187 I209 A212 L213 I219 L220 I221L125-I190 HydrophobicContact CB-CG1 4.17Å; L125-I190 HydrophobicContact CD2-CD1 4.34Å; L125-I190 HydrophobicContact CD2-CG1 4.49Å; L125-I190 CarbonylContact O-C 3.55Å; L125-I190 VanDerWaalsContact O-CA 3.27Å; L125-I190 WeakPolarHBondContact O-CA 3.45Å; L127-I190 HydrophobicContact CD1-CG2 3.62Å; L127-I190 HydrophobicContact CG-CG2 3.95Å; W171-I190 HydrophobicContact CZ3-CD1 4.43Å; F187-I190 HydrophobicContact CB-CD1 4.27Å; F187-I190 HydrophobicContact CB-CG1 3.79Å; F187-I190 HydrophobicContact CD2-CD1 4.06Å; F187-I190 HydrophobicContact CD2-CG1 4.3Å; F187-I190 HydrophobicContact CG-CD1 4.48Å; F187-I190 HydrophobicContact CG-CG1 4.24Å; I190-I209 HydrophobicContact CB-CG2 4.13Å; I190-I209 HydrophobicContact CD1-CG2 4.06Å; I190-I209 HydrophobicContact CG2-CG1 4.23Å; I190-I209 HydrophobicContact CG2-CG2 4.06Å; I190-A212 HydrophobicContact CD1-CB 3.75Å; I190-L213 HydrophobicContact CB-CD2 4.02Å; I190-L213 HydrophobicContact CD1-CD2 4Å; I190-L213 HydrophobicContact CD1-CG 3.94Å; I190-L213 HydrophobicContact CG1-CD2 3.61Å; I190-L213 HydrophobicContact CG1-CG 4.11Å; I190-I219 PolarHBondContact N-O 3.43Å; I190-L220 CarbonylContact O-C 3.58Å; I190-L220 VanDerWaalsContact O-CA 3.29Å; I190-L220 WeakPolarHBondContact O-CA 3.03Å; I190-L220 VanDerWaalsContact O-CD1 3.31Å; I190-L220 WeakPolarHBondContact O-CD1 3.3Å; I190-I221 PolarHBondContact O-N 3.47Å
191S98.3Very high89.4Confident0 Ų038.5 Ų38.50%021%0.211CC..EExtended strand (participates in β ladder)trans-100.2136.4170.251.60000110.6L125 D126 L127 M138 I221L125-S191 PolarHBondContact O-N 3.01Å; D126-S191 VanDerWaalsContact CA-OG 3.24Å; D126-S191 WeakPolarHBondContact CA-OG 3.44Å; D126-S191 WeakPolarHBondContact CB-OG 3.46Å; D126-S191 PolarHBondContact OD1-OG 2.91Å; L127-S191 WeakPolarHBondContact CB-O 3.16Å; L127-S191 PolarHBondContact N-O 2.73Å; M138-S191 WeakPolarHBondContact CE-OG 3.3Å; S191-I221 CarbonylContact C-O 3.56Å; S191-I221 WeakPolarHBondContact CA-O 3.47Å
192C97.3Very high90.9Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-134.285176.4-173.70000106.6I209 L220 I221 L222 G223C192-I209 HydrophobicContact CB-CD1 4.16Å; C192-L220 HydrophobicContact CB-CD1 3.85Å; C192-I221 PolarHBondContact N-O 2.93Å; C192-L222 HydrophobicContact CB-CD1 4.18Å; C192-L222 WeakPolarHBondContact O-CA 3.47Å; C192-L222 WeakPolarHBondContact O-CD1 3.37Å; C192-G223 PolarHBondContact O-N 3.34Å
193L95.4Very high91.9Very high18 Ų1826.3 Ų26.39%0.09415%0.145CC..EExtended strand (participates in β ladder)trans-104.6116.6-171.6-55.8177.3000109.3V103 F104 V134 M138 L195 I221V103-L193 HydrophobicContact CG1-CD1 4.43Å; F104-L193 HydrophobicContact CE1-CD1 4.04Å; F104-L193 HydrophobicContact CE1-CD2 4.41Å; F104-L193 HydrophobicContact CZ-CD1 4.11Å; V134-L193 HydrophobicContact CG1-CD1 3.53Å; M138-L193 HydrophobicContact CE-CD1 4.22Å; L193-L195 PolarHBondContact O-N 3.38Å; L193-I221 HydrophobicContact CD2-CG2 4.07Å
194N91.4Very high92.4Very high11 Ų1128.4 Ų28.46%0.05916%0.158CC..SBendtrans53.639.5178-56.6-60.7000113.7G223 Y279 E294N194-G223 PolarHBondContact N-O 3.04Å; N194-Y279 HydrophobicContact CB-CE1 4.05Å; N194-Y279 WeakPolarHBondContact ND2-CE2 3.49Å; N194-E294 PolarHBondContact ND2-OE1 3.26Å; N194-E294 PolarHBondContact OD1-OE1 3.4Å
195L91.7Very high92.8Very high39 Ų3927.7 Ų27.720%0.20415%0.152CC..  trans-115.7-35.2-177.6179.163.4000113.3L127 L193 D197 R198 C199 L205L127-L195 HydrophobicContact CB-CD2 3.7Å; L193-L195 PolarHBondContact O-N 3.38Å; L195-D197 PolarHBondContact O-N 3.37Å; L195-R198 CarbonylContact O-C 3.59Å; L195-R198 WeakPolarHBondContact O-CA 3.37Å; L195-R198 PolarHBondContact O-N 2.84Å; L195-C199 PolarHBondContact O-N 3.45Å; L195-L205 HydrophobicContact CD2-CD2 4.04Å; L195-L205 HydrophobicContact CG-CD2 4.32Å
196L91Very high93.4Very high0 Ų023.4 Ų23.40%012%0.123CC..G310 helixtrans-59.2-36.8-175.6-74.9-170.7000112.6R198 C199 P202 L205 L206 L222 I224 L244L196-R198 PolarHBondContact O-N 3.43Å; L196-C199 PolarHBondContact O-SG 3.44Å; L196-P202 HydrophobicContact CB-CB 4.42Å; L196-P202 HydrophobicContact CD2-CB 4.01Å; L196-L205 HydrophobicContact CD2-CD2 4.07Å; L196-L205 HydrophobicContact CD2-CG 4.48Å; L196-L206 HydrophobicContact CD1-CD1 4.31Å; L196-L206 HydrophobicContact CD1-CD2 4.15Å; L196-L206 HydrophobicContact CD1-CG 4.36Å; L196-L206 HydrophobicContact CD2-CD2 4.29Å; L196-L206 HydrophobicContact CD2-CG 4.11Å; L196-L222 HydrophobicContact CD1-CD1 3.37Å; L196-L222 HydrophobicContact CD1-CD2 3.95Å; L196-L222 HydrophobicContact CD1-CG 4.29Å; L196-L222 HydrophobicContact CG-CD1 3.71Å; L196-I224 HydrophobicContact CB-CD1 4.49Å; L196-L244 HydrophobicContact CB-CD1 4.31Å
197D86Confident93.5Very high13 Ų1325.9 Ų25.97%0.0713%0.132CC..G310 helixtrans-73.8-11.5176.762.3-47.8000113.4L195 L228 Q230 Y231L195-D197 PolarHBondContact O-N 3.37Å; D197-L228 HydrophobicContact CB-CD1 3.79Å; D197-Q230 CarbonylContact O-C 3.57Å; D197-Q230 VanDerWaalsContact O-CA 3.3Å; D197-Q230 WeakPolarHBondContact O-CA 3.3Å; D197-Y231 PolarHBondContact O-N 3.13Å
198R84.3Confident93.4Very high112 Ų11228.9 Ų28.942%0.42314%0.144SC..G310 helixtrans-115.83.4-174.1-61.9-178-178.1-92.3-8.9114.9L195 L196 Y231 E233L195-R198 CarbonylContact O-C 3.59Å; L195-R198 WeakPolarHBondContact O-CA 3.37Å; L195-R198 PolarHBondContact O-N 2.84Å; L196-R198 PolarHBondContact O-N 3.43Å; R198-Y231 WeakPolarHBondContact CA-O 3.38Å; R198-E233 IonicContact NH1-OE1 2.61Å
199C85.1Confident93.4Very high22 Ų2228.3 Ų28.315%0.14914%0.14CC..SBendtrans-107.3153-179.973.30000111.8L195 L196 A201 P202 V232L195-C199 PolarHBondContact O-N 3.45Å; L196-C199 PolarHBondContact O-SG 3.44Å; C199-A201 VanDerWaalsContact C-N 3.35Å; C199-P202 WeakPolarHBondContact SG-CA 3.3Å; C199-V232 WeakPolarHBondContact O-CG2 3.4Å
200T89.2Confident93.3Very high49 Ų4930 Ų3030%0.30115%0.149SC..SBendtrans-68-34-179.548.80000112.6V232 T235 I241 E242T200-V232 HydrophobicContact CG2-CG1 3.7Å; T200-T235 HydrophobicContact CG2-CG2 3.74Å; T200-I241 WeakPolarHBondContact O-CA 3.39Å; T200-I241 WeakPolarHBondContact O-CB 3.42Å; T200-I241 PolarHBondContact O-N 2.62Å; T200-E242 PolarHBondContact O-N 2.98Å
201A93.5Very high93Very high24 Ų2436.8 Ų36.820%0.19818%0.181CC..  trans-134.869.8-17200000111.9C199 I203 T204 L205 E242C199-A201 VanDerWaalsContact C-N 3.35Å; A201-I203 PolarHBondContact O-N 3.12Å; A201-T204 PolarHBondContact O-N 2.94Å; A201-L205 WeakPolarHBondContact O-CB 3.41Å; A201-L205 PolarHBondContact O-N 3.31Å; A201-E242 WeakPolarHBondContact CA-OE2 3.22Å; A201-E242 HydrophobicContact CB-CG 4.14Å; A201-E242 WeakPolarHBondContact CB-OE2 3.23Å
202P94.9Very high92.8Very high0 Ų037.2 Ų37.20%019%0.185CC..Hα-helixtrans-62.5-32.9-177.422.1-35.8000115.2L196 C199 L205 L206 E242 L244L196-P202 HydrophobicContact CB-CB 4.42Å; L196-P202 HydrophobicContact CD2-CB 4.01Å; C199-P202 WeakPolarHBondContact SG-CA 3.3Å; P202-L205 PolarHBondContact O-N 3.27Å; P202-L206 WeakPolarHBondContact O-CG 3.41Å; P202-L206 PolarHBondContact O-N 3.01Å; P202-E242 WeakPolarHBondContact CD-O 3.3Å; P202-E242 HydrophobicContact CG-CB 4.33Å; P202-E242 WeakPolarHBondContact CG-O 3.41Å; P202-L244 HydrophobicContact CB-CD1 4.31Å; P202-L244 HydrophobicContact CB-CD2 3.9Å; P202-L244 HydrophobicContact CB-CG 4.16Å; P202-L244 HydrophobicContact CG-CD1 4.42Å; P202-L244 HydrophobicContact CG-CD2 3.88Å; P202-L244 HydrophobicContact CG-CG 3.88Å
203I96.5Very high92.7Very high42 Ų4237.3 Ų37.322%0.21519%0.185CC..Hα-helixtrans-71.5-43.4178.7-54.5-59.9000109.9A201 L205 L206 K207 E242 L244 I263A201-I203 PolarHBondContact O-N 3.12Å; I203-L205 VanDerWaalsContact C-N 3.31Å; I203-L205 PolarHBondContact O-N 2.67Å; I203-L206 PolarHBondContact O-N 2.75Å; I203-K207 WeakPolarHBondContact O-CG 3.31Å; I203-K207 PolarHBondContact O-N 3.49Å; I203-E242 WeakPolarHBondContact CA-OE2 3.13Å; I203-E242 VanDerWaalsContact CB-OE2 3.28Å; I203-E242 WeakPolarHBondContact CB-OE2 3.48Å; I203-E242 HydrophobicContact CG1-CB 4.22Å; I203-E242 PolarHBondContact N-OE2 3.01Å; I203-L244 HydrophobicContact CD1-CD2 3.6Å; I203-L244 HydrophobicContact CG1-CD2 4.45Å; I203-I263 HydrophobicContact CD1-CD1 4.2Å; I203-I263 HydrophobicContact CD1-CG2 3.75Å
204T95.4Very high92.6Very high59 Ų5939 Ų3936%0.36219%0.192SC..Hα-helixtrans-61.9-40.4172.8-71.20000111A201 K207 R208 E242A201-T204 PolarHBondContact O-N 2.94Å; T204-K207 PolarHBondContact O-N 2.83Å; T204-R208 WeakPolarHBondContact O-CG 3.41Å; T204-R208 PolarHBondContact O-N 3.32Å; T204-E242 WeakPolarHBondContact CB-OE1 3.45Å; T204-E242 PolarHBondContact N-OE2 3.27Å; T204-E242 PolarHBondContact OG1-OE1 3.25Å
205L95.2Very high92.6Very high22 Ų2242.5 Ų42.512%0.11522%0.215CC..Hα-helixtrans-60-48174.7-179.855.5000111.6L127 W171 L195 L196 A201 P202 I203 K207 R208 I209L127-L205 HydrophobicContact CD1-CD1 4.18Å; W171-L205 HydrophobicContact CH2-CD1 4.45Å; W171-L205 HydrophobicContact CZ2-CD1 3.7Å; L195-L205 HydrophobicContact CD2-CD2 4.04Å; L195-L205 HydrophobicContact CG-CD2 4.32Å; L196-L205 HydrophobicContact CD2-CD2 4.07Å; L196-L205 HydrophobicContact CD2-CG 4.48Å; A201-L205 WeakPolarHBondContact O-CB 3.41Å; A201-L205 PolarHBondContact O-N 3.31Å; P202-L205 PolarHBondContact O-N 3.27Å; I203-L205 VanDerWaalsContact C-N 3.31Å; I203-L205 PolarHBondContact O-N 2.67Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.18Å; L205-R208 WeakPolarHBondContact O-CB 3.37Å; L205-R208 PolarHBondContact O-N 3.49Å; L205-R208 VanDerWaalsContact O-N 3.15Å; L205-I209 HydrophobicContact CD1-CD1 4.22Å; L205-I209 HydrophobicContact CD1-CG1 4.29Å; L205-I209 HydrophobicContact CG-CD1 4.01Å; L205-I209 VanDerWaalsContact O-CG1 3.32Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 2.86Å
206L96.3Very high92.4Very high0 Ų044.7 Ų44.70%023%0.23CC..Hα-helixtrans-58-42.2176.5-74.9170.8000112.5L196 P202 I203 R208 I209 N210 L220 I263 L264 A267 F269L196-L206 HydrophobicContact CD1-CD1 4.31Å; L196-L206 HydrophobicContact CD1-CD2 4.15Å; L196-L206 HydrophobicContact CD1-CG 4.36Å; L196-L206 HydrophobicContact CD2-CD2 4.29Å; L196-L206 HydrophobicContact CD2-CG 4.11Å; P202-L206 WeakPolarHBondContact O-CG 3.41Å; P202-L206 PolarHBondContact O-N 3.01Å; I203-L206 PolarHBondContact O-N 2.75Å; L206-R208 PolarHBondContact O-N 3.32Å; L206-I209 PolarHBondContact O-N 2.9Å; L206-N210 WeakPolarHBondContact O-CB 3.44Å; L206-N210 PolarHBondContact O-N 2.86Å; L206-L220 HydrophobicContact CD2-CD2 4.05Å; L206-I263 HydrophobicContact CD1-CG2 3.62Å; L206-L264 HydrophobicContact CD1-CD2 4.28Å; L206-L264 HydrophobicContact CD2-CD2 4.35Å; L206-A267 HydrophobicContact CB-CB 4.04Å; L206-A267 HydrophobicContact CD1-CB 4.24Å; L206-F269 HydrophobicContact CB-CE2 4.42Å; L206-F269 HydrophobicContact CD2-CE2 4.21Å
207K94.4Very high92.5Very high116 Ų11649 Ų4950%0.50426%0.256SS..Hα-helixtrans-61.5-42.5175.5-71.8173.3-178.9173.20112.2I203 T204 L205 N210 Q211I203-K207 WeakPolarHBondContact O-CG 3.31Å; I203-K207 PolarHBondContact O-N 3.49Å; T204-K207 PolarHBondContact O-N 2.83Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.18Å; K207-N210 PolarHBondContact O-N 2.86Å; K207-Q211 WeakPolarHBondContact O-CG 3.28Å; K207-Q211 PolarHBondContact O-N 3.29Å; K207-Q211 VanDerWaalsContact O-N 3.13Å
208R94.1Very high93Very high67 Ų6748.3 Ų48.325%0.25325%0.253SS..Hα-helixtrans-65.1-40.7176.4-70.3172.359.4169.64.5111.8D169 W171 T204 L205 L206 Q211 A212D169-R208 PolarHBondContact O-NH2 3.44Å; W171-R208 HydrophobicContact CH2-CB 3.72Å; W171-R208 HydrophobicContact CZ2-CB 3.97Å; W171-R208 VanDerWaalsContact NE1-NH2 3.15Å; T204-R208 WeakPolarHBondContact O-CG 3.41Å; T204-R208 PolarHBondContact O-N 3.32Å; L205-R208 WeakPolarHBondContact O-CB 3.37Å; L205-R208 PolarHBondContact O-N 3.49Å; L205-R208 VanDerWaalsContact O-N 3.15Å; L206-R208 PolarHBondContact O-N 3.32Å; R208-Q211 PolarHBondContact O-N 2.72Å; R208-A212 WeakPolarHBondContact O-CB 3.49Å; R208-A212 PolarHBondContact O-N 2.92Å
209I95.6Very high93.6Very high0 Ų043.8 Ų43.80%024%0.237CC..Hα-helixtrans-60.8-48.7175.4-68.4169.4000109.9L127 W171 I190 C192 L205 L206 Q211 A212 L213 L220 F269L127-I209 HydrophobicContact CD1-CD1 3.65Å; L127-I209 HydrophobicContact CD1-CG1 3.7Å; W171-I209 HydrophobicContact CH2-CG1 3.98Å; I190-I209 HydrophobicContact CB-CG2 4.13Å; I190-I209 HydrophobicContact CD1-CG2 4.06Å; I190-I209 HydrophobicContact CG2-CG1 4.23Å; I190-I209 HydrophobicContact CG2-CG2 4.06Å; C192-I209 HydrophobicContact CB-CD1 4.16Å; L205-I209 HydrophobicContact CD1-CD1 4.22Å; L205-I209 HydrophobicContact CD1-CG1 4.29Å; L205-I209 HydrophobicContact CG-CD1 4.01Å; L205-I209 VanDerWaalsContact O-CG1 3.32Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 2.86Å; L206-I209 PolarHBondContact O-N 2.9Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 3.38Å; I209-A212 PolarHBondContact O-N 2.67Å; I209-A212 VanDerWaalsContact O-N 3.09Å; I209-L213 HydrophobicContact CG2-CD1 4.01Å; I209-L213 HydrophobicContact CG2-CG 4.35Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.21Å; I209-L220 HydrophobicContact CD1-CD1 4.3Å; I209-L220 HydrophobicContact CG2-CB 4.2Å; I209-L220 HydrophobicContact CG2-CD1 3.99Å; I209-L220 HydrophobicContact CG2-CD2 4.02Å; I209-L220 HydrophobicContact CG2-CG 4.29Å; I209-F269 HydrophobicContact CB-CZ 4.5Å; I209-F269 HydrophobicContact CG2-CZ 4.04Å
210N94.4Very high94.3Very high36 Ų3642.7 Ų42.719%0.19323%0.23CC..Hα-helixtrans-54.4-44.8178.5-175.2-76.4000111.8L206 K207 A212 A267 N268 F269 T301L206-N210 WeakPolarHBondContact O-CB 3.44Å; L206-N210 PolarHBondContact O-N 2.86Å; K207-N210 PolarHBondContact O-N 2.86Å; N210-A212 PolarHBondContact O-N 3.39Å; N210-A267 PolarHBondContact ND2-O 2.7Å; N210-N268 PolarHBondContact ND2-O 2.92Å; N210-N268 VanDerWaalsContact ND2-O 3.15Å; N210-F269 HydrophobicContact CB-CE2 3.95Å; N210-F269 HydrophobicContact CB-CZ 3.7Å; N210-T301 HydrophobicContact CB-CG2 4.39Å; N210-T301 WeakPolarHBondContact ND2-CG2 3.31Å
211Q92.5Very high94.7Very high142 Ų14240.4 Ų40.466%0.66422%0.216SC*.Hα-helixtrans-70.1-27.6178.9-69.7172.1-3.400114.3K207 R208 I209K207-Q211 WeakPolarHBondContact O-CG 3.28Å; K207-Q211 PolarHBondContact O-N 3.29Å; K207-Q211 VanDerWaalsContact O-N 3.13Å; R208-Q211 PolarHBondContact O-N 2.72Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 3.38Å
212A93.8Very high94.9Very high9 Ų939.3 Ų39.37%0.07421%0.206CC..Hα-helixtrans-90.3-15.3-177.400000113.2W171 H186 F187 I190 R208 I209 N210W171-A212 HydrophobicContact CE3-CB 4.48Å; W171-A212 HydrophobicContact CZ3-CB 3.73Å; H186-A212 CarbonylContact C-O 3.49Å; H186-A212 WeakPolarHBondContact CA-O 3.35Å; F187-A212 HydrophobicContact CD2-CB 4.26Å; F187-A212 PolarHBondContact N-O 2.96Å; I190-A212 HydrophobicContact CD1-CB 3.75Å; R208-A212 WeakPolarHBondContact O-CB 3.49Å; R208-A212 PolarHBondContact O-N 2.92Å; I209-A212 PolarHBondContact O-N 2.67Å; I209-A212 VanDerWaalsContact O-N 3.09Å; N210-A212 PolarHBondContact O-N 3.39Å
213L95.3Very high95.1Very high2 Ų239.3 Ų39.31%0.0121%0.206CC..BIsolated β-bridgetrans-73.6148.4174.5-77.7170000111.5H186 I190 I209 I219 L220 F269 T301H186-L213 PolarHBondContact CD2-O 2.98Å; H186-L213 VanDerWaalsContact CD2-O 3.29Å; I190-L213 HydrophobicContact CB-CD2 4.02Å; I190-L213 HydrophobicContact CD1-CD2 4Å; I190-L213 HydrophobicContact CD1-CG 3.94Å; I190-L213 HydrophobicContact CG1-CD2 3.61Å; I190-L213 HydrophobicContact CG1-CG 4.11Å; I209-L213 HydrophobicContact CG2-CD1 4.01Å; I209-L213 HydrophobicContact CG2-CG 4.35Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.21Å; L213-I219 WeakPolarHBondContact CD2-O 3.28Å; L213-L220 HydrophobicContact CD1-CB 4.02Å; L213-F269 HydrophobicContact CD1-CE1 3.86Å; L213-F269 HydrophobicContact CD1-CZ 4.37Å; L213-T301 HydrophobicContact CB-CG2 4.16Å; L213-T301 HydrophobicContact CD1-CG2 3.83Å
214K93.9Very high95Very high55 Ų5537.3 Ų37.324%0.23920%0.196CC..PPolyproline II helixtrans-55.8129.6170.3-80.5-177.6-174.8177.80109.5N122 H186 F187 D188 T216 G218N122-K214 PolarHBondContact ND2-NZ 3.26Å; H186-K214 HydrophobicContact CB-CB 4.36Å; H186-K214 HydrophobicContact CB-CG 3.7Å; F187-K214 WeakPolarHBondContact O-CG 3.41Å; F187-K214 PolarHBondContact O-N 3.49Å; D188-K214 VanDerWaalsContact OD1-CD 3.26Å; D188-K214 WeakPolarHBondContact OD1-CD 3.46Å; D188-K214 VanDerWaalsContact OD1-CE 3.29Å; D188-K214 WeakPolarHBondContact OD1-CE 3.39Å; D188-K214 IonicContact OD1-NZ 3.04Å; D188-K214 PolarHBondContact OD1-NZ 3.11Å; D188-K214 IonicContact OD2-NZ 3.34Å; D188-K214 PolarHBondContact OD2-NZ 2.82Å; K214-T216 PolarHBondContact O-N 3.15Å; K214-G218 WeakPolarHBondContact O-CA 3.27Å; K214-G218 PolarHBondContact O-N 3.08Å
215P90.9Very high95Very high84 Ų8435.4 Ų35.455%0.54518%0.184SC..THydrogen-bonded Turntrans-56.5135.9176.8-25.534.2000110.9T217P215-T217 PolarHBondContact O-N 3.2Å
216T88.4Confident94.9Very high84 Ų8434.4 Ų34.452%0.51518%0.179SC..THydrogen-bonded Turntrans67-32.6177-45.90000116.4K214 Q300K214-T216 PolarHBondContact O-N 3.15Å; T216-Q300 VanDerWaalsContact O-CD 3.3Å; T216-Q300 PolarHBondContact O-NE2 3.39Å
217T93.8Very high94.9Very high90 Ų9036.6 Ų36.655%0.55219%0.194SC*.THydrogen-bonded Turntrans-109.6-19.9-176.258.50000114.2P215P215-T217 PolarHBondContact O-N 3.2Å
218G95.7Very high94.7Very high0 Ų032.3 Ų32.30%018%0.176CC..  trans-69.2140.6-179.800000111.8D188 K214D188-G218 VanDerWaalsContact O-CA 3.31Å; D188-G218 WeakPolarHBondContact O-CA 3.44Å; K214-G218 WeakPolarHBondContact O-CA 3.27Å; K214-G218 PolarHBondContact O-N 3.08Å
219I97.5Very high94.4Very high16 Ų1637.2 Ų37.28%0.08220%0.199CC..EExtended strand (participates in β ladder)trans-121.6142.9177.360.2169.6000112L113 D188 V189 I190 L213 L272 V298 L299 Q300L113-I219 HydrophobicContact CD2-CD1 3.66Å; D188-I219 PolarHBondContact O-N 3.02Å; D188-I219 VanDerWaalsContact O-N 3.07Å; V189-I219 WeakPolarHBondContact CA-O 3.49Å; V189-I219 HydrophobicContact CB-CG1 4.36Å; V189-I219 HydrophobicContact CG1-CG1 4.27Å; V189-I219 HydrophobicContact CG2-CD1 3.95Å; V189-I219 HydrophobicContact CG2-CG1 3.62Å; I190-I219 PolarHBondContact N-O 3.43Å; L213-I219 WeakPolarHBondContact CD2-O 3.28Å; I219-L272 HydrophobicContact CG2-CD1 4.02Å; I219-V298 HydrophobicContact CB-CG1 4.24Å; I219-V298 HydrophobicContact CD1-CG1 4.05Å; I219-V298 HydrophobicContact CG2-CG1 4.4Å; I219-L299 CarbonylContact C-O 3.54Å; I219-L299 WeakPolarHBondContact CA-O 3.37Å; I219-Q300 HydrophobicContact CG2-CB 4.44Å
220L98.5Very high93.9Very high0 Ų039.3 Ų39.30%021%0.209CC..EExtended strand (participates in β ladder)trans-97.9128.3167.5162.962.8000108.9I190 C192 L206 I209 L213 L222 F269 L299I190-L220 CarbonylContact O-C 3.58Å; I190-L220 VanDerWaalsContact O-CA 3.29Å; I190-L220 WeakPolarHBondContact O-CA 3.03Å; I190-L220 VanDerWaalsContact O-CD1 3.31Å; I190-L220 WeakPolarHBondContact O-CD1 3.3Å; C192-L220 HydrophobicContact CB-CD1 3.85Å; L206-L220 HydrophobicContact CD2-CD2 4.05Å; I209-L220 HydrophobicContact CD1-CD1 4.3Å; I209-L220 HydrophobicContact CG2-CB 4.2Å; I209-L220 HydrophobicContact CG2-CD1 3.99Å; I209-L220 HydrophobicContact CG2-CD2 4.02Å; I209-L220 HydrophobicContact CG2-CG 4.29Å; L213-L220 HydrophobicContact CD1-CB 4.02Å; L220-L222 HydrophobicContact CD1-CB 4.45Å; L220-L222 HydrophobicContact CD2-CB 4.37Å; L220-L222 HydrophobicContact CG-CB 4.15Å; L220-F269 HydrophobicContact CB-CE1 4Å; L220-F269 HydrophobicContact CB-CZ 4.5Å; L220-F269 HydrophobicContact CD2-CD1 4.45Å; L220-F269 HydrophobicContact CD2-CE1 4Å; L220-F269 HydrophobicContact CD2-CE2 4.19Å; L220-F269 HydrophobicContact CD2-CZ 3.85Å; L220-L299 HydrophobicContact CB-CB 4.11Å; L220-L299 HydrophobicContact CD2-CD1 3.69Å; L220-L299 HydrophobicContact CG-CB 4.42Å; L220-L299 HydrophobicContact CG-CD1 4.1Å; L220-L299 PolarHBondContact N-O 3.41Å; L220-L299 PolarHBondContact O-N 3.4Å
221I98.5Very high93.3Very high1 Ų141.7 Ų41.71%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-99.7104.1168-54179.2000107.4F109 L113 V189 I190 S191 C192 L193 V296 L297F109-I221 HydrophobicContact CD2-CD1 4.38Å; F109-I221 HydrophobicContact CE2-CD1 3.37Å; F109-I221 HydrophobicContact CZ-CD1 3.88Å; L113-I221 HydrophobicContact CD1-CD1 4.13Å; L113-I221 HydrophobicContact CD2-CD1 3.96Å; L113-I221 HydrophobicContact CD2-CG1 4.35Å; L113-I221 HydrophobicContact CG-CD1 4.49Å; V189-I221 HydrophobicContact CG1-CD1 3.66Å; V189-I221 HydrophobicContact CG1-CG1 3.88Å; I190-I221 PolarHBondContact O-N 3.47Å; S191-I221 CarbonylContact C-O 3.56Å; S191-I221 WeakPolarHBondContact CA-O 3.47Å; C192-I221 PolarHBondContact N-O 2.93Å; L193-I221 HydrophobicContact CD2-CG2 4.07Å; I221-V296 HydrophobicContact CG2-CG1 3.82Å; I221-L297 WeakPolarHBondContact CA-O 3.41Å
222L98.4Very high92.7Very high0 Ų035 Ų350%019%0.185CC..EExtended strand (participates in β ladder)trans-104.4117.3-176.8176.767.6000109.9C192 L196 L220 L264 V296 L297 L299C192-L222 HydrophobicContact CB-CD1 4.18Å; C192-L222 WeakPolarHBondContact O-CA 3.47Å; C192-L222 WeakPolarHBondContact O-CD1 3.37Å; L196-L222 HydrophobicContact CD1-CD1 3.37Å; L196-L222 HydrophobicContact CD1-CD2 3.95Å; L196-L222 HydrophobicContact CD1-CG 4.29Å; L196-L222 HydrophobicContact CG-CD1 3.71Å; L220-L222 HydrophobicContact CD1-CB 4.45Å; L220-L222 HydrophobicContact CD2-CB 4.37Å; L220-L222 HydrophobicContact CG-CB 4.15Å; L222-L264 HydrophobicContact CD2-CD1 4.24Å; L222-L264 HydrophobicContact CD2-CD2 3.75Å; L222-V296 CarbonylContact O-C 3.53Å; L222-V296 WeakPolarHBondContact O-CA 3.38Å; L222-L297 HydrophobicContact CB-CB 4.36Å; L222-L297 HydrophobicContact CD2-CD1 4.18Å; L222-L297 PolarHBondContact N-O 2.83Å; L222-L297 PolarHBondContact O-N 3.3Å; L222-L299 HydrophobicContact CB-CD1 3.9Å; L222-L299 HydrophobicContact CD2-CD1 3.87Å
223G97.8Very high91.7Very high0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-103.4128.9170.600000109.7C192 N194 I295C192-G223 PolarHBondContact O-N 3.34Å; N194-G223 PolarHBondContact N-O 3.04Å; G223-I295 WeakPolarHBondContact CA-O 3.3Å
224I95Very high90.7Very high0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-146.8135.1-179.7-164.9167.2000111.4L196 L226 L228 L259 E294 I295L196-I224 HydrophobicContact CB-CD1 4.49Å; I224-L226 HydrophobicContact CG2-CG 4.41Å; I224-L228 HydrophobicContact CD1-CD1 3.73Å; I224-L228 HydrophobicContact CG1-CD1 3.94Å; I224-L259 HydrophobicContact CD1-CD1 4.2Å; I224-L259 HydrophobicContact CD1-CD2 4.15Å; I224-L259 HydrophobicContact CG2-CD2 3.75Å; I224-E294 WeakPolarHBondContact O-CA 3.46Å; I224-I295 HydrophobicContact CG2-CB 4.49Å; I224-I295 PolarHBondContact N-O 2.86Å; I224-I295 PolarHBondContact O-N 2.88Å
225V94.3Very high89.9Confident20 Ų2043.8 Ų43.812%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-80.6129.4173.4172.30000110.1Y279 L292 N293 E294V225-Y279 HydrophobicContact CG2-CD1 3.92Å; V225-L292 HydrophobicContact CG1-CB 3.87Å; V225-L292 HydrophobicContact CG1-CD1 4.23Å; V225-L292 HydrophobicContact CG1-CG 4.49Å; V225-L292 HydrophobicContact CG2-CB 3.83Å; V225-L292 HydrophobicContact CG2-CD1 4.1Å; V225-N293 VanDerWaalsContact CA-O 3.31Å; V225-N293 WeakPolarHBondContact CA-O 3.27Å; V225-E294 HydrophobicContact CG2-CB 4.42Å
226L94.8Very high89.4Confident0 Ų049.3 Ų49.30%025%0.253CS..SBendtrans-124.4138.4173.2-61.4-179.6000110.1I224 L228 I246 W252 Q255 L256 N293 I295I224-L226 HydrophobicContact CG2-CG 4.41Å; L226-L228 HydrophobicContact CD2-CB 4.03Å; L226-I246 HydrophobicContact CD2-CD1 4.49Å; L226-W252 HydrophobicContact CB-CB 3.78Å; L226-Q255 HydrophobicContact CD1-CB 4.3Å; L226-Q255 HydrophobicContact CD2-CB 4.26Å; L226-L256 HydrophobicContact CD1-CB 3.85Å; L226-L256 HydrophobicContact CD1-CD1 4.39Å; L226-N293 PolarHBondContact N-O 3.21Å; L226-N293 WeakPolarHBondContact O-CB 3.4Å; L226-N293 PolarHBondContact O-ND2 3.33Å; L226-I295 HydrophobicContact CD1-CG1 3.87Å; L226-I295 HydrophobicContact CG-CG1 4.35Å
227P94.9Very high89.3Confident47 Ų4749.8 Ų49.831%0.30525%0.252SS..SBendcis-61.7134.90.5-2738000114.3W252P227-W252 HydrophobicContact CG-CB 4.49Å
228L90.9Very high88.8Confident25 Ų2550.1 Ų50.113%0.13125%0.247CC..  trans-68.2136.7-174-173.267.4000111.1D197 I224 L226 Q230 L244 I246D197-L228 HydrophobicContact CB-CD1 3.79Å; I224-L228 HydrophobicContact CD1-CD1 3.73Å; I224-L228 HydrophobicContact CG1-CD1 3.94Å; L226-L228 HydrophobicContact CD2-CB 4.03Å; L228-Q230 HydrophobicContact CD2-CG 4.15Å; L228-Q230 HydrophobicContact CG-CG 4.32Å; L228-L244 HydrophobicContact CD2-CB 3.73Å; L228-L244 HydrophobicContact CD2-CD1 3.82Å; L228-L244 HydrophobicContact CD2-CG 4.39Å; L228-I246 HydrophobicContact CB-CD1 3.38Å; L228-I246 HydrophobicContact CB-CG1 4.46Å; L228-I246 HydrophobicContact CD2-CD1 3.64Å; L228-I246 HydrophobicContact CD2-CG1 4.08Å; L228-I246 HydrophobicContact CG-CD1 4.15Å
229K87Confident88.4Confident171 Ų17158.1 Ų58.174%0.74328%0.277SS*.  trans-136.6100.3168-68.9-176.9179.3178.20109.1Y231K229-Y231 PolarHBondContact O-N 2.89Å
230Q86.4Confident88Confident44 Ų4458.5 Ų58.521%0.20628%0.281CS..  trans-69.8131.3176-66.1-174.6-90.600110.5D197 L228 P240 E242D197-Q230 CarbonylContact O-C 3.57Å; D197-Q230 VanDerWaalsContact O-CA 3.3Å; D197-Q230 WeakPolarHBondContact O-CA 3.3Å; L228-Q230 HydrophobicContact CD2-CG 4.15Å; L228-Q230 HydrophobicContact CG-CG 4.32Å; Q230-P240 HydrophobicContact CB-CG 4.05Å; Q230-E242 PolarHBondContact NE2-O 3.36Å
231Y80.4Confident87.7Confident86 Ų8665.1 Ų65.134%0.33732%0.315SS..  trans-152.3119.9-178171.7-96.1000110.1D197 R198 K229 E233 Q238D197-Y231 PolarHBondContact O-N 3.13Å; R198-Y231 WeakPolarHBondContact CA-O 3.38Å; K229-Y231 PolarHBondContact O-N 2.89Å; Y231-E233 HydrophobicContact CD1-CG 4.2Å; Y231-E233 HydrophobicContact CE1-CB 4.45Å; Y231-E233 HydrophobicContact CE1-CG 3.37Å; Y231-Q238 HydrophobicContact CD2-CB 3.87Å; Y231-Q238 HydrophobicContact CD2-CG 4.49Å; Y231-Q238 HydrophobicContact CE2-CB 3.62Å; Y231-Q238 HydrophobicContact CE2-CG 3.74Å; Y231-Q238 PolarHBondContact OH-NE2 2.86Å
232V80.9Confident87.6Confident2 Ų267.3 Ų67.31%0.01233%0.325CS..  trans-118.1103.5-173.9-172.70000111.3C199 T200 T234 T235 Q238 P240C199-V232 WeakPolarHBondContact O-CG2 3.4Å; T200-V232 HydrophobicContact CG2-CG1 3.7Å; V232-T234 PolarHBondContact O-N 3.04Å; V232-T235 HydrophobicContact CB-CG2 4.21Å; V232-T235 HydrophobicContact CG1-CG2 3.86Å; V232-T235 PolarHBondContact O-N 2.69Å; V232-T235 PolarHBondContact O-OG1 3.35Å; V232-Q238 PolarHBondContact N-O 3.01Å; V232-Q238 WeakPolarHBondContact O-CA 3.36Å; V232-P240 HydrophobicContact CG2-CB 3.99Å
233E72.1Confident87.4Confident113 Ų11371.6 Ų71.653%0.52835%0.351SS..THydrogen-bonded Turntrans-55.6-28.4-175.8-72-178-16500114.8R198 Y231R198-E233 IonicContact NH1-OE1 2.61Å; Y231-E233 HydrophobicContact CD1-CG 4.2Å; Y231-E233 HydrophobicContact CE1-CB 4.45Å; Y231-E233 HydrophobicContact CE1-CG 3.37Å
234T74.3Confident87.2Confident106 Ų10671.9 Ų71.965%0.6535%0.352SS*.THydrogen-bonded Turntrans-88-9.5-173.254.40000114.2I150 V232I150-T234 HydrophobicContact CD1-CG2 4.42Å; V232-T234 PolarHBondContact O-N 3.04Å
235T77.6Confident87.2Confident30 Ų3079.1 Ų79.118%0.18439%0.386CS..SBendtrans-95148.9178.760.10000111.1T200 V232 D237 Q238 R239T200-T235 HydrophobicContact CG2-CG2 3.74Å; V232-T235 HydrophobicContact CB-CG2 4.21Å; V232-T235 HydrophobicContact CG1-CG2 3.86Å; V232-T235 PolarHBondContact O-N 2.69Å; V232-T235 PolarHBondContact O-OG1 3.35Å; T235-D237 VanDerWaalsContact C-N 3.32Å; T235-D237 PolarHBondContact O-N 3.46Å; T235-Q238 PolarHBondContact O-N 3.03Å; T235-Q238 VanDerWaalsContact OG1-C 3.24Å; T235-Q238 WeakPolarHBondContact OG1-CA 3.31Å; T235-Q238 PolarHBondContact OG1-N 3.31Å; T235-Q238 VanDerWaalsContact OG1-N 3.15Å; T235-R239 WeakPolarHBondContact CG2-O 3.36Å; T235-R239 PolarHBondContact OG1-N 3.33Å; T235-R239 PolarHBondContact OG1-O 2.98Å
236H80.6Confident87.2Confident201 Ų20179.6 Ų79.693%0.93139%0.388SS*.THydrogen-bonded Turntrans-62.9-38.1-176.1-178.162.3000112.9
237D86.6Confident87.1Confident93 Ų9384 Ų8450%0.49741%0.41SS..THydrogen-bonded Turntrans-98.46.3179.465.7-17.6000113.3T235 R239T235-D237 VanDerWaalsContact C-N 3.32Å; T235-D237 PolarHBondContact O-N 3.46Å; D237-R239 PolarHBondContact O-N 3.24Å; D237-R239 PolarHBondContact OD1-N 2.96Å; D237-R239 WeakPolarHBondContact OD2-CD 3.48Å
238Q82.9Confident87Confident97 Ų9789.1 Ų89.145%0.45344%0.435SS..SBendtrans62.120.6179.7-59.2167.5-24.200114.2Y231 V232 T235Y231-Q238 HydrophobicContact CD2-CB 3.87Å; Y231-Q238 HydrophobicContact CD2-CG 4.49Å; Y231-Q238 HydrophobicContact CE2-CB 3.62Å; Y231-Q238 HydrophobicContact CE2-CG 3.74Å; Y231-Q238 PolarHBondContact OH-NE2 2.86Å; V232-Q238 PolarHBondContact N-O 3.01Å; V232-Q238 WeakPolarHBondContact O-CA 3.36Å; T235-Q238 PolarHBondContact O-N 3.03Å; T235-Q238 VanDerWaalsContact OG1-C 3.24Å; T235-Q238 WeakPolarHBondContact OG1-CA 3.31Å; T235-Q238 PolarHBondContact OG1-N 3.31Å; T235-Q238 VanDerWaalsContact OG1-N 3.15Å
239R86.8Confident87.1Confident169 Ų16988.8 Ų88.864%0.63844%0.435SS*.  trans-105149.6-177.5-66.7-176.8-178.7173-3.2112.7T235 D237T235-R239 WeakPolarHBondContact CG2-O 3.36Å; T235-R239 PolarHBondContact OG1-N 3.33Å; T235-R239 PolarHBondContact OG1-O 2.98Å; D237-R239 PolarHBondContact O-N 3.24Å; D237-R239 PolarHBondContact OD1-N 2.96Å; D237-R239 WeakPolarHBondContact OD2-CD 3.48Å
240P88.6Confident87.3Confident23 Ų2388.6 Ų88.615%0.14944%0.437CS..  trans-75156.8170.735.8-38.1000111.3Q230 V232 E242 V243Q230-P240 HydrophobicContact CB-CG 4.05Å; V232-P240 HydrophobicContact CG2-CB 3.99Å; P240-E242 WeakPolarHBondContact CB-O 3.45Å; P240-V243 HydrophobicContact CG-CG2 4.35Å
241I93.1Very high87.7Confident140 Ų14088.7 Ų88.772%0.71844%0.438SS*.SBendtrans-75.1-37.9168.2-62.1173000109.9T200T200-I241 WeakPolarHBondContact O-CA 3.39Å; T200-I241 WeakPolarHBondContact O-CB 3.42Å; T200-I241 PolarHBondContact O-N 2.62Å
242E95.4Very high88.4Confident46 Ų4685.4 Ų85.422%0.21543%0.425CS..SBendtrans-110.7121.7174.8-56.6172.4158.400110.3T200 A201 P202 I203 T204 Q230 P240T200-E242 PolarHBondContact O-N 2.98Å; A201-E242 WeakPolarHBondContact CA-OE2 3.22Å; A201-E242 HydrophobicContact CB-CG 4.14Å; A201-E242 WeakPolarHBondContact CB-OE2 3.23Å; P202-E242 WeakPolarHBondContact CD-O 3.3Å; P202-E242 HydrophobicContact CG-CB 4.33Å; P202-E242 WeakPolarHBondContact CG-O 3.41Å; I203-E242 WeakPolarHBondContact CA-OE2 3.13Å; I203-E242 VanDerWaalsContact CB-OE2 3.28Å; I203-E242 WeakPolarHBondContact CB-OE2 3.48Å; I203-E242 HydrophobicContact CG1-CB 4.22Å; I203-E242 PolarHBondContact N-OE2 3.01Å; T204-E242 WeakPolarHBondContact CB-OE1 3.45Å; T204-E242 PolarHBondContact N-OE2 3.27Å; T204-E242 PolarHBondContact OG1-OE1 3.25Å; Q230-E242 PolarHBondContact NE2-O 3.36Å; P240-E242 WeakPolarHBondContact CB-O 3.45Å
243V94.3Very high89.2Confident90 Ų9085.4 Ų85.455%0.54543%0.425SS..  trans-88.1136.3178.2-178.50000109.4P240 E245P240-V243 HydrophobicContact CG-CG2 4.35Å; V243-E245 PolarHBondContact O-N 2.89Å
244L94.8Very high90.4Very high6 Ų682.5 Ų82.53%0.03141%0.413CS..  trans-80.695.8169.2-67179.7000108.2L196 P202 I203 L228 I246 I263L196-L244 HydrophobicContact CB-CD1 4.31Å; P202-L244 HydrophobicContact CB-CD1 4.31Å; P202-L244 HydrophobicContact CB-CD2 3.9Å; P202-L244 HydrophobicContact CB-CG 4.16Å; P202-L244 HydrophobicContact CG-CD1 4.42Å; P202-L244 HydrophobicContact CG-CD2 3.88Å; P202-L244 HydrophobicContact CG-CG 3.88Å; I203-L244 HydrophobicContact CD1-CD2 3.6Å; I203-L244 HydrophobicContact CG1-CD2 4.45Å; L228-L244 HydrophobicContact CD2-CB 3.73Å; L228-L244 HydrophobicContact CD2-CD1 3.82Å; L228-L244 HydrophobicContact CD2-CG 4.39Å; L244-I246 PolarHBondContact O-N 3.39Å; L244-I263 HydrophobicContact CB-CD1 4.42Å; L244-I263 HydrophobicContact CD2-CD1 4.12Å; L244-I263 HydrophobicContact CD2-CG1 4.26Å; L244-I263 HydrophobicContact CD2-CG2 3.7Å
245E94.2Very high91.4Very high153 Ų15377.8 Ų77.872%0.71538%0.383SS*.  trans-70.872.4-178.9-63-173.2160.700112.5V243 N262V243-E245 PolarHBondContact O-N 2.89Å; E245-N262 PolarHBondContact O-ND2 2.94Å
246I94.1Very high92.4Very high30 Ų3076.4 Ų76.415%0.15438%0.375CS..  trans-98.1154.7171.768.8166.9000111.1L226 L228 L244 D248 Q255 S258 L259 I263L226-I246 HydrophobicContact CD2-CD1 4.49Å; L228-I246 HydrophobicContact CB-CD1 3.38Å; L228-I246 HydrophobicContact CB-CG1 4.46Å; L228-I246 HydrophobicContact CD2-CD1 3.64Å; L228-I246 HydrophobicContact CD2-CG1 4.08Å; L228-I246 HydrophobicContact CG-CD1 4.15Å; L244-I246 PolarHBondContact O-N 3.39Å; I246-D248 PolarHBondContact O-N 3.21Å; I246-Q255 HydrophobicContact CD1-CB 4.1Å; I246-Q255 HydrophobicContact CD1-CG 4.14Å; I246-S258 VanDerWaalsContact CA-OG 3.29Å; I246-S258 WeakPolarHBondContact CA-OG 3.23Å; I246-L259 HydrophobicContact CG2-CB 4.19Å; I246-L259 HydrophobicContact CG2-CD1 4.38Å; I246-I263 HydrophobicContact CG2-CG1 4.08Å
247I93.6Very high93.2Very high91 Ų9167.6 Ų67.647%0.46734%0.336SS..  trans-59.2128.2176.3-67.8169.1000109.9S249 I254 S258I247-S249 PolarHBondContact O-N 3.41Å; I247-S249 VanDerWaalsContact O-N 3.1Å; I247-I254 HydrophobicContact CB-CG2 4.48Å; I247-I254 HydrophobicContact CD1-CG2 4.44Å; I247-I254 HydrophobicContact CG2-CG2 4.09Å; I247-S258 WeakPolarHBondContact CG1-OG 3.47Å; I247-S258 PolarHBondContact N-OG 3.28Å
248D91.9Very high93.6Very high155 Ų15563.3 Ų63.383%0.82931%0.313SS*.  trans-73.2100.1173.1-170.816.9000110I246I246-D248 PolarHBondContact O-N 3.21Å
249S93.2Very high94.3Very high19 Ų1958.7 Ų58.713%0.13329%0.292CS..  trans-146.7135.5-176.7166.50000110.3I247 L251 Q255I247-S249 PolarHBondContact O-N 3.41Å; I247-S249 VanDerWaalsContact O-N 3.1Å; S249-L251 PolarHBondContact O-N 3.15Å; S249-L251 WeakPolarHBondContact OG-CB 3.13Å; S249-L251 PolarHBondContact OG-N 3.21Å; S249-L251 PolarHBondContact OG-O 2.95Å; S249-Q255 PolarHBondContact O-NE2 3.14Å
250E90.6Very high94.9Very high167 Ų16751.5 Ų51.578%0.7827%0.266SS*.SBendtrans-67.7-20.4170.9-66.4-65153.600112.3W252E250-W252 PolarHBondContact O-N 3.07Å
251L95.1Very high95.2Very high45 Ų4554.3 Ų54.324%0.23628%0.279CS..  trans-81.6106.5175-52.9176.5000109.1R35 Y38 S249 E253 I254 Q255R35-L251 VanDerWaalsContact CZ-CD2 3.5Å; Y38-L251 HydrophobicContact CD1-CD1 4.25Å; Y38-L251 HydrophobicContact CE1-CD1 3.94Å; Y38-L251 HydrophobicContact CE2-CD1 4.32Å; S249-L251 PolarHBondContact O-N 3.15Å; S249-L251 WeakPolarHBondContact OG-CB 3.13Å; S249-L251 PolarHBondContact OG-N 3.21Å; S249-L251 PolarHBondContact OG-O 2.95Å; L251-E253 PolarHBondContact O-N 2.86Å; L251-I254 HydrophobicContact CB-CB 4.36Å; L251-I254 HydrophobicContact CB-CD1 4.01Å; L251-I254 HydrophobicContact CB-CG1 3.99Å; L251-I254 HydrophobicContact CD1-CD1 3.6Å; L251-I254 HydrophobicContact CD1-CG1 4.33Å; L251-I254 HydrophobicContact CG-CD1 4.34Å; L251-I254 WeakPolarHBondContact O-CB 3.43Å; L251-I254 PolarHBondContact O-N 3.46Å; L251-I254 VanDerWaalsContact O-N 3.13Å; L251-Q255 PolarHBondContact O-N 3.39Å
252W95.8Very high95.4Very high18 Ų1851.5 Ų51.57%0.06827%0.266CS..Hα-helixtrans-63-27.2-17967.1-98.4000112.8Y34 L226 P227 E250 I254 Q255 L256 W274 R276 I295Y34-W252 VanDerWaalsContact CB-CH2 3.46Å; L226-W252 HydrophobicContact CB-CB 3.78Å; P227-W252 HydrophobicContact CG-CB 4.49Å; E250-W252 PolarHBondContact O-N 3.07Å; W252-I254 VanDerWaalsContact C-N 3.33Å; W252-Q255 CarbonylContact O-C 3.59Å; W252-Q255 WeakPolarHBondContact O-CB 3.24Å; W252-Q255 PolarHBondContact O-N 2.95Å; W252-L256 HydrophobicContact CZ3-CD2 4.16Å; W252-L256 WeakPolarHBondContact O-CB 3.4Å; W252-L256 PolarHBondContact O-N 3.29Å; W252-W274 HydrophobicContact CH2-CH2 4.49Å; W252-W274 HydrophobicContact CH2-CZ3 4.32Å; W252-W274 HydrophobicContact CZ3-CZ3 4.25Å; W252-R276 HydrophobicContact CH2-CG 4.45Å; W252-I295 HydrophobicContact CE3-CD1 3.67Å; W252-I295 HydrophobicContact CE3-CG1 4.23Å; W252-I295 HydrophobicContact CH2-CD1 4.03Å; W252-I295 HydrophobicContact CZ3-CD1 3.37Å; W252-I295 HydrophobicContact CZ3-CG1 4.25Å
253E97.5Very high95.5Very high1 Ų149.7 Ų49.71%0.00526%0.258CS..Hα-helixtrans-63.4-40.1175.1-65.787.5158.600111.3R35 V39 L251 L256 S257R35-E253 VanDerWaalsContact CB-OE1 3.31Å; R35-E253 WeakPolarHBondContact CB-OE1 3.16Å; R35-E253 IonicContact CZ-OE1 3.41Å; R35-E253 IonicContact CZ-OE2 2.69Å; R35-E253 PolarHBondContact N-OE1 3.07Å; R35-E253 VanDerWaalsContact N-OE1 3.17Å; R35-E253 IonicContact NE-OE1 3.38Å; R35-E253 PolarHBondContact NE-OE1 3.07Å; R35-E253 IonicContact NE-OE2 3.56Å; R35-E253 PolarHBondContact NE-OE2 3.09Å; R35-E253 IonicContact NH2-OE1 2.66Å; R35-E253 IonicContact NH2-OE2 3.62Å; R35-E253 PolarHBondContact NH2-OE2 3.28Å; V39-E253 HydrophobicContact CG2-CB 3.84Å; V39-E253 HydrophobicContact CG2-CG 3.82Å; L251-E253 PolarHBondContact O-N 2.86Å; E253-L256 WeakPolarHBondContact O-CB 3.5Å; E253-L256 PolarHBondContact O-N 3.32Å; E253-S257 PolarHBondContact O-N 2.6Å; E253-S257 VanDerWaalsContact O-N 3.12Å
254I96.5Very high95.7Very high53 Ų5345.4 Ų45.427%0.27223%0.232SC..Hα-helixtrans-66.8-41.2174.8-62.1-176.4000110.1I247 L251 W252 L256 S257 S258I247-I254 HydrophobicContact CB-CG2 4.48Å; I247-I254 HydrophobicContact CD1-CG2 4.44Å; I247-I254 HydrophobicContact CG2-CG2 4.09Å; L251-I254 HydrophobicContact CB-CB 4.36Å; L251-I254 HydrophobicContact CB-CD1 4.01Å; L251-I254 HydrophobicContact CB-CG1 3.99Å; L251-I254 HydrophobicContact CD1-CD1 3.6Å; L251-I254 HydrophobicContact CD1-CG1 4.33Å; L251-I254 HydrophobicContact CG-CD1 4.34Å; L251-I254 WeakPolarHBondContact O-CB 3.43Å; L251-I254 PolarHBondContact O-N 3.46Å; L251-I254 VanDerWaalsContact O-N 3.13Å; W252-I254 VanDerWaalsContact C-N 3.33Å; I254-L256 VanDerWaalsContact C-N 3.29Å; I254-L256 PolarHBondContact O-N 2.79Å; I254-S257 PolarHBondContact O-N 3.39Å; I254-S258 WeakPolarHBondContact O-CB 3.47Å; I254-S258 PolarHBondContact O-N 3.44Å
255Q97Very high95.8Very high7 Ų749.4 Ų49.43%0.03325%0.252CS..Hα-helixtrans-63.3-35.5174.5-68-1543.400112.4L226 I246 S249 L251 W252 S258 L259L226-Q255 HydrophobicContact CD1-CB 4.3Å; L226-Q255 HydrophobicContact CD2-CB 4.26Å; I246-Q255 HydrophobicContact CD1-CB 4.1Å; I246-Q255 HydrophobicContact CD1-CG 4.14Å; S249-Q255 PolarHBondContact O-NE2 3.14Å; L251-Q255 PolarHBondContact O-N 3.39Å; W252-Q255 CarbonylContact O-C 3.59Å; W252-Q255 WeakPolarHBondContact O-CB 3.24Å; W252-Q255 PolarHBondContact O-N 2.95Å; Q255-S258 PolarHBondContact O-N 2.94Å; Q255-L259 VanDerWaalsContact O-CB 3.31Å; Q255-L259 WeakPolarHBondContact O-CB 3.35Å; Q255-L259 PolarHBondContact O-N 2.98Å
256L97.6Very high95.9Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-63.2-49.5176.6175.358000111.1L43 L226 W252 E253 I254 S258 L259 I260 W274 I295 L297L43-L256 HydrophobicContact CD2-CD2 3.95Å; L43-L256 HydrophobicContact CD2-CG 3.98Å; L226-L256 HydrophobicContact CD1-CB 3.85Å; L226-L256 HydrophobicContact CD1-CD1 4.39Å; W252-L256 HydrophobicContact CZ3-CD2 4.16Å; W252-L256 WeakPolarHBondContact O-CB 3.4Å; W252-L256 PolarHBondContact O-N 3.29Å; E253-L256 WeakPolarHBondContact O-CB 3.5Å; E253-L256 PolarHBondContact O-N 3.32Å; I254-L256 VanDerWaalsContact C-N 3.29Å; I254-L256 PolarHBondContact O-N 2.79Å; L256-S258 VanDerWaalsContact C-N 3.27Å; L256-S258 PolarHBondContact O-N 3.11Å; L256-L259 PolarHBondContact O-N 2.83Å; L256-I260 HydrophobicContact CD1-CD1 3.87Å; L256-I260 HydrophobicContact CD1-CG1 4.33Å; L256-I260 HydrophobicContact CG-CD1 4.07Å; L256-I260 WeakPolarHBondContact O-CG1 3.44Å; L256-I260 PolarHBondContact O-N 2.95Å; L256-W274 HydrophobicContact CD2-CD2 4.27Å; L256-W274 HydrophobicContact CD2-CE3 3.95Å; L256-W274 HydrophobicContact CD2-CH2 4.07Å; L256-W274 HydrophobicContact CD2-CZ2 4.39Å; L256-W274 HydrophobicContact CD2-CZ3 3.84Å; L256-I295 HydrophobicContact CD1-CG2 3.88Å; L256-I295 HydrophobicContact CD2-CG2 4.24Å; L256-L297 HydrophobicContact CD1-CD1 4.3Å; L256-L297 HydrophobicContact CD1-CD2 4.27Å
257S96.7Very high96Very high17 Ų1745 Ų4512%0.11924%0.24CC..Hα-helixtrans-58.9-41.4174.4-70.20000111.4E253 I254 I260 N261E253-S257 PolarHBondContact O-N 2.6Å; E253-S257 VanDerWaalsContact O-N 3.12Å; I254-S257 PolarHBondContact O-N 3.39Å; S257-I260 PolarHBondContact O-N 3.4Å; S257-N261 WeakPolarHBondContact O-CB 3.43Å; S257-N261 VanDerWaalsContact O-CG 3.31Å; S257-N261 PolarHBondContact O-N 2.68Å; S257-N261 PolarHBondContact O-ND2 2.76Å; S257-N261 VanDerWaalsContact O-ND2 3.09Å
258S96.9Very high96.1Very high3 Ų343.9 Ų43.92%0.02123%0.234CC..Hα-helixtrans-66.3-40.9177.4-172.40000113.2I246 I247 I254 Q255 L256 I260 N261 N262I246-S258 VanDerWaalsContact CA-OG 3.29Å; I246-S258 WeakPolarHBondContact CA-OG 3.23Å; I247-S258 WeakPolarHBondContact CG1-OG 3.47Å; I247-S258 PolarHBondContact N-OG 3.28Å; I254-S258 WeakPolarHBondContact O-CB 3.47Å; I254-S258 PolarHBondContact O-N 3.44Å; Q255-S258 PolarHBondContact O-N 2.94Å; L256-S258 VanDerWaalsContact C-N 3.27Å; L256-S258 PolarHBondContact O-N 3.11Å; S258-I260 VanDerWaalsContact C-N 3.32Å; S258-I260 PolarHBondContact O-N 3.4Å; S258-N261 PolarHBondContact O-N 3.27Å; S258-N262 WeakPolarHBondContact O-CB 3.42Å; S258-N262 PolarHBondContact O-N 3.41Å; S258-N262 PolarHBondContact OG-ND2 3.16Å
259L97.6Very high96.4Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-58.4-46.4174.5174.469.7000110.4I224 I246 Q255 L256 I263 L264 L297I224-L259 HydrophobicContact CD1-CD1 4.2Å; I224-L259 HydrophobicContact CD1-CD2 4.15Å; I224-L259 HydrophobicContact CG2-CD2 3.75Å; I246-L259 HydrophobicContact CG2-CB 4.19Å; I246-L259 HydrophobicContact CG2-CD1 4.38Å; Q255-L259 VanDerWaalsContact O-CB 3.31Å; Q255-L259 WeakPolarHBondContact O-CB 3.35Å; Q255-L259 PolarHBondContact O-N 2.98Å; L256-L259 PolarHBondContact O-N 2.83Å; L259-I263 HydrophobicContact CD1-CB 4.15Å; L259-I263 HydrophobicContact CD1-CG1 4.16Å; L259-I263 HydrophobicContact CD1-CG2 4.46Å; L259-I263 WeakPolarHBondContact O-CA 3.39Å; L259-I263 VanDerWaalsContact O-CB 3.23Å; L259-I263 WeakPolarHBondContact O-CB 3.29Å; L259-I263 PolarHBondContact O-N 3.05Å; L259-I263 VanDerWaalsContact O-N 3.1Å; L259-L264 HydrophobicContact CD2-CD1 4.47Å; L259-L264 HydrophobicContact CG-CD1 4.2Å; L259-L264 HydrophobicContact CG-CG 4.3Å; L259-L264 PolarHBondContact O-N 3.37Å; L259-L297 HydrophobicContact CD2-CD1 4.15Å
260I97.6Very high96.5Very high17 Ų1738.6 Ų38.69%0.08720%0.203CC..Iπ-helixtrans-63.9-52.2-180-67.8162.1000110.5L43 L256 S257 S258 L264 I265 V271 L297L43-I260 HydrophobicContact CD1-CD1 3.74Å; L43-I260 HydrophobicContact CD2-CD1 3.46Å; L43-I260 VanDerWaalsContact CD2-CD1 3.46Å; L43-I260 HydrophobicContact CG-CD1 4.29Å; L256-I260 HydrophobicContact CD1-CD1 3.87Å; L256-I260 HydrophobicContact CD1-CG1 4.33Å; L256-I260 HydrophobicContact CG-CD1 4.07Å; L256-I260 WeakPolarHBondContact O-CG1 3.44Å; L256-I260 PolarHBondContact O-N 2.95Å; S257-I260 PolarHBondContact O-N 3.4Å; S258-I260 VanDerWaalsContact C-N 3.32Å; S258-I260 PolarHBondContact O-N 3.4Å; I260-L264 HydrophobicContact CG1-CD1 4.07Å; I260-L264 PolarHBondContact O-N 3.02Å; I260-I265 HydrophobicContact CG2-CD1 4.08Å; I260-I265 HydrophobicContact CG2-CG1 4.22Å; I260-I265 WeakPolarHBondContact O-CG1 3.31Å; I260-I265 PolarHBondContact O-N 2.88Å; I260-V271 HydrophobicContact CD1-CG2 3.88Å; I260-V271 HydrophobicContact CG1-CG2 3.87Å; I260-V271 HydrophobicContact CG2-CG2 4.12Å; I260-L297 HydrophobicContact CD1-CD2 4.4Å
261N96.7Very high96.8Very high82 Ų8231 Ų3144%0.43917%0.168SC..Iπ-helixtrans-73.5-38.8-172.1-68.2-34.6000113.6S257 S258 P266S257-N261 WeakPolarHBondContact O-CB 3.43Å; S257-N261 VanDerWaalsContact O-CG 3.31Å; S257-N261 PolarHBondContact O-N 2.68Å; S257-N261 PolarHBondContact O-ND2 2.76Å; S257-N261 VanDerWaalsContact O-ND2 3.09Å; S258-N261 PolarHBondContact O-N 3.27Å; N261-P266 VanDerWaalsContact O-CD 3.27Å; N261-P266 WeakPolarHBondContact O-CD 3.5Å
262N97.1Very high97Very high81 Ų8131.9 Ų31.943%0.43317%0.172SC..Iπ-helixtrans-93.5-23.7-173.1-59.1-2.6000112.8E245 S258 P266E245-N262 PolarHBondContact O-ND2 2.94Å; S258-N262 WeakPolarHBondContact O-CB 3.42Å; S258-N262 PolarHBondContact O-N 3.41Å; S258-N262 PolarHBondContact OG-ND2 3.16Å; N262-P266 WeakPolarHBondContact O-CG 3.36Å
263I97.5Very high97.1Very high9 Ų934.2 Ų34.25%0.04618%0.181CC..Iπ-helixtrans-118.1-57.4-172.5-48.2-60.2000111.3I203 L206 L244 I246 L259 A267I203-I263 HydrophobicContact CD1-CD1 4.2Å; I203-I263 HydrophobicContact CD1-CG2 3.75Å; L206-I263 HydrophobicContact CD1-CG2 3.62Å; L244-I263 HydrophobicContact CB-CD1 4.42Å; L244-I263 HydrophobicContact CD2-CD1 4.12Å; L244-I263 HydrophobicContact CD2-CG1 4.26Å; L244-I263 HydrophobicContact CD2-CG2 3.7Å; I246-I263 HydrophobicContact CG2-CG1 4.08Å; L259-I263 HydrophobicContact CD1-CB 4.15Å; L259-I263 HydrophobicContact CD1-CG1 4.16Å; L259-I263 HydrophobicContact CD1-CG2 4.46Å; L259-I263 WeakPolarHBondContact O-CA 3.39Å; L259-I263 VanDerWaalsContact O-CB 3.23Å; L259-I263 WeakPolarHBondContact O-CB 3.29Å; L259-I263 PolarHBondContact O-N 3.05Å; L259-I263 VanDerWaalsContact O-N 3.1Å; I263-A267 VanDerWaalsContact O-CB 3.22Å; I263-A267 WeakPolarHBondContact O-CB 3.11Å; I263-A267 PolarHBondContact O-N 3.45Å
264L97.8Very high97.1Very high0 Ų034.2 Ų34.20%018%0.181CC..Iπ-helixtrans-74.1-45.4-169.3-58.4178.7000112.7L206 L222 L259 I260 A267 N268 F269 L297 L299L206-L264 HydrophobicContact CD1-CD2 4.28Å; L206-L264 HydrophobicContact CD2-CD2 4.35Å; L222-L264 HydrophobicContact CD2-CD1 4.24Å; L222-L264 HydrophobicContact CD2-CD2 3.75Å; L259-L264 HydrophobicContact CD2-CD1 4.47Å; L259-L264 HydrophobicContact CG-CD1 4.2Å; L259-L264 HydrophobicContact CG-CG 4.3Å; L259-L264 PolarHBondContact O-N 3.37Å; I260-L264 HydrophobicContact CG1-CD1 4.07Å; I260-L264 PolarHBondContact O-N 3.02Å; L264-A267 CarbonylContact O-C 3.59Å; L264-A267 WeakPolarHBondContact O-CA 3.34Å; L264-A267 PolarHBondContact O-N 2.95Å; L264-A267 VanDerWaalsContact O-N 3.14Å; L264-N268 PolarHBondContact O-N 2.91Å; L264-F269 HydrophobicContact CB-CB 4.37Å; L264-F269 WeakPolarHBondContact O-CB 3.38Å; L264-F269 PolarHBondContact O-N 3.45Å; L264-L297 HydrophobicContact CD1-CD1 4.11Å; L264-L299 HydrophobicContact CD1-CD1 3.96Å; L264-L299 HydrophobicContact CD1-CD2 4Å; L264-L299 HydrophobicContact CD2-CD1 3.95Å; L264-L299 HydrophobicContact CG-CD1 4.49Å
265I96.7Very high97.2Very high89 Ų8931.9 Ų31.946%0.45617%0.169SC..THydrogen-bonded Turntrans-61.1-49.2175.9-69.3174.5000110.7I260 A267 N268 F269I260-I265 HydrophobicContact CG2-CD1 4.08Å; I260-I265 HydrophobicContact CG2-CG1 4.22Å; I260-I265 WeakPolarHBondContact O-CG1 3.31Å; I260-I265 PolarHBondContact O-N 2.88Å; I265-A267 PolarHBondContact O-N 3.06Å; I265-N268 WeakPolarHBondContact O-CA 3.36Å; I265-N268 PolarHBondContact O-N 3.1Å; I265-F269 WeakPolarHBondContact CA-O 3.36Å
266P96.2Very high97.3Very high85 Ų8533.3 Ų33.355%0.55217%0.174SC*.THydrogen-bonded Turntrans-61.4-24.9173.8-29.740000114.7N261 N262 N268N261-P266 VanDerWaalsContact O-CD 3.27Å; N261-P266 WeakPolarHBondContact O-CD 3.5Å; N262-P266 WeakPolarHBondContact O-CG 3.36Å; P266-N268 PolarHBondContact O-N 3.29Å
267A95.9Very high97.3Very high7 Ų733.4 Ų33.46%0.05818%0.175CC..THydrogen-bonded Turntrans-83.113.5171.700000113.7L206 N210 I263 L264 I265 F269L206-A267 HydrophobicContact CB-CB 4.04Å; L206-A267 HydrophobicContact CD1-CB 4.24Å; N210-A267 PolarHBondContact ND2-O 2.7Å; I263-A267 VanDerWaalsContact O-CB 3.22Å; I263-A267 WeakPolarHBondContact O-CB 3.11Å; I263-A267 PolarHBondContact O-N 3.45Å; L264-A267 CarbonylContact O-C 3.59Å; L264-A267 WeakPolarHBondContact O-CA 3.34Å; L264-A267 PolarHBondContact O-N 2.95Å; L264-A267 VanDerWaalsContact O-N 3.14Å; I265-A267 PolarHBondContact O-N 3.06Å; A267-F269 VanDerWaalsContact C-N 3.34Å; A267-F269 HydrophobicContact CB-CD2 3.95Å; A267-F269 HydrophobicContact CB-CE2 4.37Å; A267-F269 WeakPolarHBondContact O-CD2 3.46Å; A267-F269 PolarHBondContact O-N 3.39Å
268N96.4Very high97.2Very high67 Ų6732.8 Ų32.836%0.35817%0.17SC..THydrogen-bonded Turntrans59.338.7-178.7-60.9-44.6000113.7N210 L264 I265 P266 T301 V302N210-N268 PolarHBondContact ND2-O 2.92Å; N210-N268 VanDerWaalsContact ND2-O 3.15Å; L264-N268 PolarHBondContact O-N 2.91Å; I265-N268 WeakPolarHBondContact O-CA 3.36Å; I265-N268 PolarHBondContact O-N 3.1Å; P266-N268 PolarHBondContact O-N 3.29Å; N268-T301 WeakPolarHBondContact O-CA 3.42Å; N268-V302 PolarHBondContact O-N 3.39Å
269F97.2Very high97Very high2 Ų234 Ų341%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-113.1144.9169.9-70.6-75.7000111L206 I209 N210 L213 L220 L264 I265 A267 L299 Q300 T301L206-F269 HydrophobicContact CB-CE2 4.42Å; L206-F269 HydrophobicContact CD2-CE2 4.21Å; I209-F269 HydrophobicContact CB-CZ 4.5Å; I209-F269 HydrophobicContact CG2-CZ 4.04Å; N210-F269 HydrophobicContact CB-CE2 3.95Å; N210-F269 HydrophobicContact CB-CZ 3.7Å; L213-F269 HydrophobicContact CD1-CE1 3.86Å; L213-F269 HydrophobicContact CD1-CZ 4.37Å; L220-F269 HydrophobicContact CB-CE1 4Å; L220-F269 HydrophobicContact CB-CZ 4.5Å; L220-F269 HydrophobicContact CD2-CD1 4.45Å; L220-F269 HydrophobicContact CD2-CE1 4Å; L220-F269 HydrophobicContact CD2-CE2 4.19Å; L220-F269 HydrophobicContact CD2-CZ 3.85Å; L264-F269 HydrophobicContact CB-CB 4.37Å; L264-F269 WeakPolarHBondContact O-CB 3.38Å; L264-F269 PolarHBondContact O-N 3.45Å; I265-F269 WeakPolarHBondContact CA-O 3.36Å; A267-F269 VanDerWaalsContact C-N 3.34Å; A267-F269 HydrophobicContact CB-CD2 3.95Å; A267-F269 HydrophobicContact CB-CE2 4.37Å; A267-F269 WeakPolarHBondContact O-CD2 3.46Å; A267-F269 PolarHBondContact O-N 3.39Å; F269-L299 HydrophobicContact CB-CB 4.23Å; F269-L299 HydrophobicContact CB-CD1 4.43Å; F269-L299 HydrophobicContact CD1-CB 3.87Å; F269-L299 HydrophobicContact CG-CB 4.3Å; F269-L299 HydrophobicContact CG-CD1 4.48Å; F269-Q300 WeakPolarHBondContact CA-O 3.42Å; F269-T301 HydrophobicContact CD1-CG2 4.31Å; F269-T301 HydrophobicContact CE1-CG2 3.76Å; F269-T301 HydrophobicContact CZ-CG2 4.43Å
270H96.1Very high96.6Very high61 Ų6134 Ų3428%0.28218%0.175SC..EExtended strand (participates in β ladder)trans-120.5148164.869.3-83000109.9L272 L299 Q300 V302H270-L272 VanDerWaalsContact NE2-CD2 3.3Å; H270-L272 WeakPolarHBondContact NE2-CD2 3.41Å; H270-L299 WeakPolarHBondContact O-CA 3.45Å; H270-Q300 VanDerWaalsContact CE1-CB 3.49Å; H270-Q300 WeakPolarHBondContact CE1-CB 3.16Å; H270-Q300 PolarHBondContact CE1-OE1 2.86Å; H270-Q300 PolarHBondContact N-O 2.77Å; H270-Q300 PolarHBondContact ND1-O 2.85Å; H270-Q300 VanDerWaalsContact ND1-O 3.08Å; H270-Q300 PolarHBondContact O-N 3.04Å; H270-V302 HydrophobicContact CB-CG2 3.98Å; H270-V302 WeakPolarHBondContact ND1-CG2 3.25Å
271V97.9Very high95.9Very high8 Ų835.1 Ų35.15%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-76.9124.5177.3-175.80000109.3L43 K46 I260 W274 L297 L299L43-V271 HydrophobicContact CD1-CG1 4.18Å; K46-V271 HydrophobicContact CD-CB 4.34Å; K46-V271 HydrophobicContact CD-CG1 4.26Å; K46-V271 VanDerWaalsContact CD-O 3.32Å; K46-V271 WeakPolarHBondContact CD-O 3.31Å; K46-V271 WeakPolarHBondContact CE-O 3.4Å; K46-V271 PolarHBondContact NZ-O 3.38Å; I260-V271 HydrophobicContact CD1-CG2 3.88Å; I260-V271 HydrophobicContact CG1-CG2 3.87Å; I260-V271 HydrophobicContact CG2-CG2 4.12Å; V271-W274 HydrophobicContact CG1-CB 4.46Å; V271-L297 HydrophobicContact CG1-CD2 3.87Å; V271-L297 HydrophobicContact CG2-CD2 3.88Å; V271-L299 HydrophobicContact CB-CD2 4.25Å; V271-L299 HydrophobicContact CG2-CD2 3.69Å
272L97.7Very high95.1Very high62 Ų6232.4 Ų32.433%0.32517%0.168SC..EExtended strand (participates in β ladder)trans-88.2-52.4169-68.4-178.4000110.6I219 H270 V298 Q300I219-L272 HydrophobicContact CG2-CD1 4.02Å; H270-L272 VanDerWaalsContact NE2-CD2 3.3Å; H270-L272 WeakPolarHBondContact NE2-CD2 3.41Å; L272-V298 HydrophobicContact CB-CB 4.47Å; L272-V298 HydrophobicContact CB-CG1 4.33Å; L272-V298 WeakPolarHBondContact CB-O 3.22Å; L272-V298 HydrophobicContact CD1-CG1 4.24Å; L272-V298 PolarHBondContact N-O 2.92Å; L272-Q300 HydrophobicContact CD1-CB 3.7Å; L272-Q300 HydrophobicContact CD2-CB 4.31Å; L272-Q300 HydrophobicContact CG-CB 3.91Å
273R98.3Very high94.2Very high68 Ų6829.4 Ų29.426%0.25716%0.157SC..EExtended strand (participates in β ladder)trans-148.8156.6-177.1-65.3-177.2179.3-148.54.1109.6K46 I48 L112 D114 V298K46-R273 WeakPolarHBondContact O-CA 3.4Å; I48-R273 HydrophobicContact CD1-CG 4.47Å; I48-R273 HydrophobicContact CG1-CB 4.09Å; I48-R273 HydrophobicContact CG1-CG 4.25Å; L112-R273 HydrophobicContact CD1-CB 4.15Å; L112-R273 WeakPolarHBondContact O-CD 3.48Å; D114-R273 VanDerWaalsContact CB-CZ 3.42Å; D114-R273 VanDerWaalsContact CG-CZ 3.41Å; D114-R273 IonicContact OD1-CZ 3.73Å; D114-R273 IonicContact OD1-NH1 3Å; D114-R273 PolarHBondContact OD1-NH1 3.02Å; D114-R273 IonicContact OD1-NH2 3.65Å; D114-R273 IonicContact OD2-CZ 3.47Å; D114-R273 IonicContact OD2-NH1 3.54Å; D114-R273 IonicContact OD2-NH2 2.71Å; D114-R273 PolarHBondContact OD2-NH2 3.13Å; R273-V298 HydrophobicContact CB-CB 4.32Å; R273-V298 HydrophobicContact CB-CG2 4.38Å; R273-V298 PolarHBondContact N-O 3.48Å; R273-V298 PolarHBondContact O-N 2.89Å
274W98.5Very high93Very high0 Ų031.7 Ų31.70%017%0.169CC..EExtended strand (participates in β ladder)trans-149.2159.317169-76.1000111.4Y34 V39 L43 K46 F47 I48 W252 L256 V271 I295 V296 L297Y34-W274 HydrophobicContact CD1-CH2 4.1Å; Y34-W274 HydrophobicContact CD2-CH2 4.24Å; Y34-W274 AromaticContact CG-CH2 3.93Å; Y34-W274 HydrophobicContact CG-CH2 3.93Å; V39-W274 HydrophobicContact CG1-CZ2 4.2Å; L43-W274 VanDerWaalsContact CD1-CD1 3.44Å; L43-W274 HydrophobicContact CD1-CG 4.21Å; L43-W274 HydrophobicContact CG-CZ2 4.3Å; L43-W274 PolarHBondContact O-NE1 3.24Å; K46-W274 PolarHBondContact O-N 3.15Å; F47-W274 WeakPolarHBondContact CA-O 2.94Å; F47-W274 HydrophobicContact CB-CD2 4.47Å; F47-W274 HydrophobicContact CB-CH2 4.48Å; F47-W274 HydrophobicContact CB-CZ2 3.71Å; F47-W274 AromaticContact CD2-CD2 3.68Å; F47-W274 HydrophobicContact CD2-CD2 3.68Å; F47-W274 AromaticContact CD2-CE2 3.57Å; F47-W274 AromaticContact CD2-CE3 3.6Å; F47-W274 HydrophobicContact CD2-CE3 3.6Å; F47-W274 AromaticContact CD2-CH2 3.4Å; F47-W274 HydrophobicContact CD2-CH2 3.4Å; F47-W274 VanDerWaalsContact CD2-CH2 3.4Å; F47-W274 AromaticContact CD2-CZ2 3.45Å; F47-W274 HydrophobicContact CD2-CZ2 3.45Å; F47-W274 VanDerWaalsContact CD2-CZ2 3.45Å; F47-W274 AromaticContact CD2-CZ3 3.47Å; F47-W274 HydrophobicContact CD2-CZ3 3.47Å; F47-W274 VanDerWaalsContact CD2-CZ3 3.47Å; F47-W274 HydrophobicContact CE2-CD2 4.49Å; F47-W274 AromaticContact CE2-CE3 3.98Å; F47-W274 HydrophobicContact CE2-CE3 3.98Å; F47-W274 AromaticContact CE2-CH2 3.82Å; F47-W274 HydrophobicContact CE2-CH2 3.82Å; F47-W274 HydrophobicContact CE2-CZ2 4.33Å; F47-W274 AromaticContact CE2-CZ3 3.62Å; F47-W274 HydrophobicContact CE2-CZ3 3.62Å; F47-W274 HydrophobicContact CG-CH2 4.14Å; F47-W274 AromaticContact CG-CZ2 3.86Å; F47-W274 HydrophobicContact CG-CZ2 3.86Å; I48-W274 PolarHBondContact N-O 2.81Å; W252-W274 HydrophobicContact CH2-CH2 4.49Å; W252-W274 HydrophobicContact CH2-CZ3 4.32Å; W252-W274 HydrophobicContact CZ3-CZ3 4.25Å; L256-W274 HydrophobicContact CD2-CD2 4.27Å; L256-W274 HydrophobicContact CD2-CE3 3.95Å; L256-W274 HydrophobicContact CD2-CH2 4.07Å; L256-W274 HydrophobicContact CD2-CZ2 4.39Å; L256-W274 HydrophobicContact CD2-CZ3 3.84Å; V271-W274 HydrophobicContact CG1-CB 4.46Å; W274-I295 HydrophobicContact CE3-CG2 3.92Å; W274-I295 HydrophobicContact CZ3-CD1 4.41Å; W274-V296 CarbonylContact C-O 3.45Å; W274-V296 VanDerWaalsContact CA-O 3.23Å; W274-V296 WeakPolarHBondContact CA-O 3.3Å; W274-L297 HydrophobicContact CB-CD2 3.73Å; W274-L297 HydrophobicContact CB-CG 4.25Å; W274-L297 HydrophobicContact CG-CD2 4.48Å
275T98.6Very high91.7Very high4 Ų435 Ų353%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-143.3164174-1660000110.1I48 L112 L277 V296I48-T275 VanDerWaalsContact O-CB 3.27Å; I48-T275 WeakPolarHBondContact O-CB 3.45Å; I48-T275 PolarHBondContact O-OG1 3.44Å; L112-T275 HydrophobicContact CD1-CG2 3.93Å; L112-T275 HydrophobicContact CD2-CG2 3.97Å; L112-T275 HydrophobicContact CG-CG2 4.43Å; T275-L277 HydrophobicContact CG2-CD1 3.81Å; T275-L277 HydrophobicContact CG2-CD2 4.48Å; T275-L277 HydrophobicContact CG2-CG 3.87Å; T275-V296 HydrophobicContact CG2-CB 4.09Å; T275-V296 PolarHBondContact N-O 2.91Å; T275-V296 PolarHBondContact O-N 3.25Å
276R98.2Very high90.6Very high37 Ų3731.8 Ų31.814%0.1417%0.169CC..EExtended strand (participates in β ladder)trans-110.7127.3174.3-173.3-170.2-178-156.5-9.8108H30 W31 D33 F47 W252 N293 E294 I295H30-R276 PolarHBondContact O-NH1 3.44Å; W31-R276 WeakPolarHBondContact O-CD 3.36Å; W31-R276 WeakPolarHBondContact O-CG 3.47Å; D33-R276 WeakPolarHBondContact O-CD 3.36Å; D33-R276 PolarHBondContact O-NH1 2.9Å; F47-R276 HydrophobicContact CE2-CB 4.26Å; W252-R276 HydrophobicContact CH2-CG 4.45Å; R276-N293 PolarHBondContact NE-OD1 3.49Å; R276-N293 PolarHBondContact NH2-OD1 2.95Å; R276-E294 WeakPolarHBondContact CA-O 3.13Å; R276-I295 HydrophobicContact CB-CD1 4.18Å; R276-I295 HydrophobicContact CG-CD1 3.95Å
277L97.4Very high89.8Confident3 Ų332 Ų322%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-133.7151.6-177.6-65.8169.5000110.1Y32 S50 F104 T275 Y279 E294 V296Y32-L277 HydrophobicContact CD1-CD2 4.06Å; Y32-L277 HydrophobicContact CE1-CD2 3.84Å; S50-L277 VanDerWaalsContact OG-CD2 3.31Å; S50-L277 WeakPolarHBondContact OG-CD2 3.47Å; F104-L277 HydrophobicContact CB-CD1 3.79Å; F104-L277 HydrophobicContact CD1-CD1 4.39Å; T275-L277 HydrophobicContact CG2-CD1 3.81Å; T275-L277 HydrophobicContact CG2-CD2 4.48Å; T275-L277 HydrophobicContact CG2-CG 3.87Å; L277-Y279 PolarHBondContact O-N 3.44Å; L277-E294 PolarHBondContact N-O 3Å; L277-E294 WeakPolarHBondContact O-CB 3.32Å; L277-E294 PolarHBondContact O-N 3.39Å; L277-E294 VanDerWaalsContact O-O 3.1Å; L277-V296 HydrophobicContact CD1-CB 4.38Å; L277-V296 HydrophobicContact CD1-CG2 3.8Å
278P94.6Very high89.3Confident4 Ų431.7 Ų31.73%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-76.311616833.9-35.1000108.6W31 Y32 L280W31-P278 HydrophobicContact CB-CB 4.36Å; W31-P278 HydrophobicContact CB-CG 4.44Å; W31-P278 HydrophobicContact CD2-CB 3.75Å; W31-P278 HydrophobicContact CD2-CG 4.09Å; W31-P278 HydrophobicContact CE3-CB 3.58Å; W31-P278 HydrophobicContact CE3-CG 3.48Å; W31-P278 VanDerWaalsContact CE3-CG 3.48Å; W31-P278 HydrophobicContact CG-CB 4.16Å; W31-P278 HydrophobicContact CZ3-CB 4.09Å; W31-P278 HydrophobicContact CZ3-CG 4.02Å; Y32-P278 HydrophobicContact CE1-CG 4.36Å; P278-L280 HydrophobicContact CB-CD1 4.41Å; P278-L280 HydrophobicContact CB-CD2 4.2Å; P278-L280 HydrophobicContact CB-CG 3.96Å; P278-L280 HydrophobicContact CG-CD1 4.01Å; P278-L280 HydrophobicContact CG-CG 4.1Å; P278-L280 PolarHBondContact O-N 3.34Å
279Y92.1Very high88.8Confident29 Ų2928.5 Ų28.511%0.11414%0.141CC..EExtended strand (participates in β ladder)trans-74.5100.1167.8180-146.6000108.7M101 V103 N194 V225 L277 Y291 L292 E294M101-Y279 HydrophobicContact CB-CE2 3.87Å; M101-Y279 HydrophobicContact CG-CE2 4.47Å; M101-Y279 PolarHBondContact SD-OH 3.24Å; V103-Y279 HydrophobicContact CG2-CD2 3.88Å; V103-Y279 HydrophobicContact CG2-CE2 3.83Å; N194-Y279 HydrophobicContact CB-CE1 4.05Å; N194-Y279 WeakPolarHBondContact ND2-CE2 3.49Å; V225-Y279 HydrophobicContact CG2-CD1 3.92Å; L277-Y279 PolarHBondContact O-N 3.44Å; Y279-Y291 CarbonylContact O-C 3.41Å; Y279-Y291 VanDerWaalsContact O-CA 3.23Å; Y279-Y291 WeakPolarHBondContact O-CA 3.41Å; Y279-L292 HydrophobicContact CD1-CB 4.49Å; Y279-L292 HydrophobicContact CD1-CD1 4.31Å; Y279-L292 PolarHBondContact N-O 3.18Å; Y279-L292 PolarHBondContact O-N 3.24Å; Y279-E294 WeakPolarHBondContact CB-OE2 3.38Å
280L90.3Very high88.2Confident0 Ų032.1 Ų32.10%016%0.155CC..EExtended strand (participates in β ladder)trans-95.4142-170.9-69.8164.9000110.7W31 T56 F59 L60 M101 F102 P278 F289 Y290W31-L280 HydrophobicContact CH2-CD2 4.16Å; W31-L280 HydrophobicContact CZ3-CD2 4.3Å; T56-L280 HydrophobicContact CG2-CD1 4.03Å; F59-L280 HydrophobicContact CD1-CB 4.14Å; F59-L280 HydrophobicContact CD1-CD1 4.16Å; F59-L280 HydrophobicContact CE1-CB 3.69Å; L60-L280 HydrophobicContact CD2-CD1 4.03Å; L60-L280 HydrophobicContact CD2-CD2 3.93Å; M101-L280 CarbonylContact C-O 3.55Å; M101-L280 WeakPolarHBondContact CA-O 3.14Å; F102-L280 HydrophobicContact CB-CB 4.09Å; F102-L280 HydrophobicContact CD1-CD1 4Å; F102-L280 PolarHBondContact N-O 3.01Å; F102-L280 PolarHBondContact O-N 3.38Å; P278-L280 HydrophobicContact CB-CD1 4.41Å; P278-L280 HydrophobicContact CB-CD2 4.2Å; P278-L280 HydrophobicContact CB-CG 3.96Å; P278-L280 HydrophobicContact CG-CD1 4.01Å; P278-L280 HydrophobicContact CG-CG 4.1Å; P278-L280 PolarHBondContact O-N 3.34Å; L280-F289 HydrophobicContact CD2-CD2 3.6Å; L280-F289 HydrophobicContact CD2-CE2 3.91Å; L280-Y290 WeakPolarHBondContact CA-O 3.33Å
281C82.1Confident87.9Confident39 Ų3933.9 Ų33.926%0.26416%0.16SC..EExtended strand (participates in β ladder)trans-138.4153.116572.40000111.5S100 M101 G283 F289 Y290S100-C281 WeakPolarHBondContact O-CA 2.86Å; M101-C281 HydrophobicContact CG-CB 4.43Å; C281-G283 PolarHBondContact O-N 2.96Å; C281-F289 VanDerWaalsContact O-CA 3.3Å; C281-F289 WeakPolarHBondContact O-CA 3.09Å; C281-F289 WeakPolarHBondContact O-CB 3.49Å; C281-Y290 PolarHBondContact N-O 2.79Å; C281-Y290 PolarHBondContact O-N 3.03Å
282E81.6Confident87.6Confident25 Ų2537.8 Ų37.812%0.11718%0.181CC..EExtended strand (participates in β ladder)trans-56.4134.9173.4-65177.7161.600110.9F59 K66 G99 S100F59-E282 HydrophobicContact CZ-CG 4.3Å; K66-E282 WeakPolarHBondContact CD-OE1 3.48Å; K66-E282 WeakPolarHBondContact CE-OE1 3.36Å; K66-E282 IonicContact NZ-OE1 3.87Å; K66-E282 PolarHBondContact NZ-OE1 3.41Å; K66-E282 IonicContact NZ-OE2 3.86Å; G99-E282 PolarHBondContact N-OE2 3.2Å; S100-E282 PolarHBondContact N-OE2 3.23Å; S100-E282 PolarHBondContact O-N 2.85Å
283G78Confident87.4Confident19 Ų1936.1 Ų36.120%0.19617%0.172CC..  trans-85.6-161.1-176.400000114C281 K287 S288C281-G283 PolarHBondContact O-N 2.96Å; G283-K287 CarbonylContact C-O 3.6Å; G283-K287 VanDerWaalsContact CA-O 3.23Å; G283-K287 WeakPolarHBondContact CA-O 3.33Å; G283-S288 WeakPolarHBondContact CA-O 3.25Å; G283-S288 PolarHBondContact N-O 3.39Å
284D72.1Confident87.2Confident57 Ų5732.9 Ų32.931%0.30516%0.16SC..  trans-128.5-156.9-177.662.537.2000111.2S286 K287 Y290D284-S286 PolarHBondContact O-N 3.35Å; D284-S286 WeakPolarHBondContact OD1-CB 3.32Å; D284-S286 PolarHBondContact OD1-N 3.34Å; D284-S286 PolarHBondContact OD1-OG 3.49Å; D284-K287 PolarHBondContact N-O 2.76Å; D284-K287 PolarHBondContact OD1-N 3.22Å; D284-Y290 VanDerWaalsContact CG-OH 3.26Å; D284-Y290 PolarHBondContact OD1-OH 2.78Å; D284-Y290 PolarHBondContact OD2-OH 3.43Å
285F70.3Confident87.2Confident69 Ų6932.9 Ų32.930%0.30316%0.16SC..SBendtrans-63.9-26-179.6-65.3-83.4000114.1H73H73-F285 HydrophobicContact CB-CD1 3.92Å; H73-F285 HydrophobicContact CB-CE1 3.17Å; H73-F285 HydrophobicContact CB-CE2 3.95Å; H73-F285 HydrophobicContact CB-CZ 3.22Å
286S72.1Confident87.2Confident21 Ų2132.7 Ų32.715%0.14716%0.159CC..SBendtrans-96.1-30.8-174.168.40000113E15 K16 D284E15-S286 CarbonylContact C-O 3.59Å; K16-S286 WeakPolarHBondContact CA-O 3.49Å; K16-S286 PolarHBondContact N-O 2.85Å; D284-S286 PolarHBondContact O-N 3.35Å; D284-S286 WeakPolarHBondContact OD1-CB 3.32Å; D284-S286 PolarHBondContact OD1-N 3.34Å; D284-S286 PolarHBondContact OD1-OG 3.49Å
287K80.2Confident87.2Confident89 Ų8931 Ų3139%0.38715%0.152SC..  trans-137.2137.3-179.1-64-175-174175.50109.8G283 D284 F289 Y290G283-K287 CarbonylContact C-O 3.6Å; G283-K287 VanDerWaalsContact CA-O 3.23Å; G283-K287 WeakPolarHBondContact CA-O 3.33Å; D284-K287 PolarHBondContact N-O 2.76Å; D284-K287 PolarHBondContact OD1-N 3.22Å; K287-F289 VanDerWaalsContact C-N 3.3Å; K287-F289 PolarHBondContact O-N 3.16Å; K287-Y290 HydrophobicContact CB-CE1 4.49Å; K287-Y290 HydrophobicContact CB-CE2 4.42Å; K287-Y290 HydrophobicContact CD-CD1 3.99Å; K287-Y290 HydrophobicContact CD-CE1 3.57Å; K287-Y290 HydrophobicContact CG-CE1 4.45Å
288S85Confident87.3Confident1 Ų131.1 Ų31.11%0.00715%0.153CC..SBendtrans-68-31.6179.5-63.40000113.1Q20 C63 Y64 S67 G283Q20-S288 WeakPolarHBondContact CG-OG 3.48Å; Q20-S288 PolarHBondContact NE2-OG 3.38Å; C63-S288 WeakPolarHBondContact CB-O 3.15Å; Y64-S288 VanDerWaalsContact CD1-CB 3.44Å; S67-S288 PolarHBondContact OG-OG 3.39Å; G283-S288 WeakPolarHBondContact CA-O 3.25Å; G283-S288 PolarHBondContact N-O 3.39Å
289F86.8Confident87.5Confident0 Ų030.9 Ų30.90%015%0.152CC..EExtended strand (participates in β ladder)trans-150161.317463.8-88.1000109.6H19 H23 W31 L60 C63 Y64 L280 C281 K287 Y291H19-F289 AromaticContact CE1-CD1 3.77Å; H19-F289 AromaticContact CE1-CE1 3.66Å; H19-F289 PolarHBondContact CE1-O 3.01Å; H19-F289 PolarHBondContact NE2-O 3.43Å; H23-F289 HydrophobicContact CB-CE1 3.94Å; H23-F289 HydrophobicContact CB-CZ 3.85Å; H23-F289 AromaticContact CD2-CZ 3.9Å; H23-F289 AromaticContact CG-CZ 3.55Å; H23-F289 AromaticContact ND1-CZ 3.64Å; W31-F289 AromaticContact CH2-CE2 3.62Å; W31-F289 HydrophobicContact CH2-CE2 3.62Å; W31-F289 AromaticContact CH2-CZ 3.89Å; W31-F289 HydrophobicContact CH2-CZ 3.89Å; W31-F289 AromaticContact CZ2-CE2 3.97Å; W31-F289 HydrophobicContact CZ2-CE2 3.97Å; W31-F289 HydrophobicContact CZ2-CZ 4.33Å; L60-F289 HydrophobicContact CD2-CD1 3.91Å; L60-F289 HydrophobicContact CD2-CD2 4.03Å; L60-F289 HydrophobicContact CD2-CE1 3.87Å; L60-F289 HydrophobicContact CD2-CE2 3.99Å; L60-F289 HydrophobicContact CD2-CG 4Å; L60-F289 HydrophobicContact CD2-CZ 3.91Å; C63-F289 HydrophobicContact CB-CB 3.97Å; Y64-F289 HydrophobicContact CE1-CD1 4.13Å; Y64-F289 AromaticContact CE1-CE1 3.87Å; Y64-F289 HydrophobicContact CE1-CE1 3.87Å; Y64-F289 AromaticContact CZ-CE1 3.87Å; Y64-F289 WeakPolarHBondContact OH-CE1 3.35Å; L280-F289 HydrophobicContact CD2-CD2 3.6Å; L280-F289 HydrophobicContact CD2-CE2 3.91Å; C281-F289 VanDerWaalsContact O-CA 3.3Å; C281-F289 WeakPolarHBondContact O-CA 3.09Å; C281-F289 WeakPolarHBondContact O-CB 3.49Å; K287-F289 VanDerWaalsContact C-N 3.3Å; K287-F289 PolarHBondContact O-N 3.16Å; F289-Y291 HydrophobicContact CE2-CD1 4Å
290Y85.1Confident87.7Confident78 Ų7831.7 Ų31.731%0.30616%0.156SC..EExtended strand (participates in β ladder)trans-112.4155.2165.3-64.6-94.2000108.9L280 C281 D284 K287L280-Y290 WeakPolarHBondContact CA-O 3.33Å; C281-Y290 PolarHBondContact N-O 2.79Å; C281-Y290 PolarHBondContact O-N 3.03Å; D284-Y290 VanDerWaalsContact CG-OH 3.26Å; D284-Y290 PolarHBondContact OD1-OH 2.78Å; D284-Y290 PolarHBondContact OD2-OH 3.43Å; K287-Y290 HydrophobicContact CB-CE1 4.49Å; K287-Y290 HydrophobicContact CB-CE2 4.42Å; K287-Y290 HydrophobicContact CD-CD1 3.99Å; K287-Y290 HydrophobicContact CD-CE1 3.57Å; K287-Y290 HydrophobicContact CG-CE1 4.45Å
291Y89.8Confident87.9Confident98 Ų9832.2 Ų32.238%0.38416%0.16SC..EExtended strand (participates in β ladder)trans-137.8147.8171.871.9-84.7000110.6H23 W31 Y279 F289H23-Y291 AromaticContact CE1-CE1 3.99Å; W31-Y291 AromaticContact CZ2-CD1 3.85Å; W31-Y291 HydrophobicContact CZ2-CD1 3.85Å; W31-Y291 HydrophobicContact CZ2-CD2 4.3Å; W31-Y291 HydrophobicContact CZ2-CE1 4.06Å; W31-Y291 HydrophobicContact CZ2-CE2 4.49Å; W31-Y291 AromaticContact CZ2-CG 3.98Å; W31-Y291 HydrophobicContact CZ2-CG 3.98Å; W31-Y291 AromaticContact NE1-CD2 3.77Å; W31-Y291 AromaticContact NE1-CE2 3.41Å; W31-Y291 AromaticContact NE1-CZ 3.67Å; Y279-Y291 CarbonylContact O-C 3.41Å; Y279-Y291 VanDerWaalsContact O-CA 3.23Å; Y279-Y291 WeakPolarHBondContact O-CA 3.41Å; F289-Y291 HydrophobicContact CE2-CD1 4Å
292L90.5Very high88.1Confident91 Ų9133.5 Ų33.548%0.47617%0.166SC..EExtended strand (participates in β ladder)trans-122.9158.9169-65.1172.6000109.7V225 Y279 E294V225-L292 HydrophobicContact CG1-CB 3.87Å; V225-L292 HydrophobicContact CG1-CD1 4.23Å; V225-L292 HydrophobicContact CG1-CG 4.49Å; V225-L292 HydrophobicContact CG2-CB 3.83Å; V225-L292 HydrophobicContact CG2-CD1 4.1Å; Y279-L292 HydrophobicContact CD1-CB 4.49Å; Y279-L292 HydrophobicContact CD1-CD1 4.31Å; Y279-L292 PolarHBondContact N-O 3.18Å; Y279-L292 PolarHBondContact O-N 3.24Å; L292-E294 PolarHBondContact O-N 2.93Å
293N93.4Very high87.7Confident27 Ų2736.5 Ų36.514%0.14419%0.186CC..EExtended strand (participates in β ladder)trans-80.2102.6177.4177.965.4000110.1V225 L226 R276V225-N293 VanDerWaalsContact CA-O 3.31Å; V225-N293 WeakPolarHBondContact CA-O 3.27Å; L226-N293 PolarHBondContact N-O 3.21Å; L226-N293 WeakPolarHBondContact O-CB 3.4Å; L226-N293 PolarHBondContact O-ND2 3.33Å; R276-N293 PolarHBondContact NE-OD1 3.49Å; R276-N293 PolarHBondContact NH2-OD1 2.95Å
294E95.3Very high86.6Confident0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-107.7136.5-178.6176.5177.7-14900111.5V103 N194 I224 V225 R276 L277 Y279 L292 V296V103-E294 WeakPolarHBondContact CG1-OE2 3.32Å; N194-E294 PolarHBondContact ND2-OE1 3.26Å; N194-E294 PolarHBondContact OD1-OE1 3.4Å; I224-E294 WeakPolarHBondContact O-CA 3.46Å; V225-E294 HydrophobicContact CG2-CB 4.42Å; R276-E294 WeakPolarHBondContact CA-O 3.13Å; L277-E294 PolarHBondContact N-O 3Å; L277-E294 WeakPolarHBondContact O-CB 3.32Å; L277-E294 PolarHBondContact O-N 3.39Å; L277-E294 VanDerWaalsContact O-O 3.1Å; Y279-E294 WeakPolarHBondContact CB-OE2 3.38Å; L292-E294 PolarHBondContact O-N 2.93Å; E294-V296 HydrophobicContact CG-CG2 3.99Å
295I98Very high85Confident0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-104.3127.2168.4-51.2-53.4000107.8G223 I224 L226 W252 L256 W274 R276 L297G223-I295 WeakPolarHBondContact CA-O 3.3Å; I224-I295 HydrophobicContact CG2-CB 4.49Å; I224-I295 PolarHBondContact N-O 2.86Å; I224-I295 PolarHBondContact O-N 2.88Å; L226-I295 HydrophobicContact CD1-CG1 3.87Å; L226-I295 HydrophobicContact CG-CG1 4.35Å; W252-I295 HydrophobicContact CE3-CD1 3.67Å; W252-I295 HydrophobicContact CE3-CG1 4.23Å; W252-I295 HydrophobicContact CH2-CD1 4.03Å; W252-I295 HydrophobicContact CZ3-CD1 3.37Å; W252-I295 HydrophobicContact CZ3-CG1 4.25Å; L256-I295 HydrophobicContact CD1-CG2 3.88Å; L256-I295 HydrophobicContact CD2-CG2 4.24Å; W274-I295 HydrophobicContact CE3-CG2 3.92Å; W274-I295 HydrophobicContact CZ3-CD1 4.41Å; R276-I295 HydrophobicContact CB-CD1 4.18Å; R276-I295 HydrophobicContact CG-CD1 3.95Å; I295-L297 HydrophobicContact CG2-CD1 4.27Å; I295-L297 HydrophobicContact CG2-CG 4.04Å
296V98.5Very high83.3Confident0 Ų050 Ų500%027%0.269CS..EExtended strand (participates in β ladder)trans-110116.9172.7-173.20000108.7V103 L112 I221 L222 W274 T275 L277 E294V103-V296 HydrophobicContact CG1-CG2 4.06Å; L112-V296 HydrophobicContact CD2-CB 4.17Å; L112-V296 HydrophobicContact CD2-CG1 3.61Å; I221-V296 HydrophobicContact CG2-CG1 3.82Å; L222-V296 CarbonylContact O-C 3.53Å; L222-V296 WeakPolarHBondContact O-CA 3.38Å; W274-V296 CarbonylContact C-O 3.45Å; W274-V296 VanDerWaalsContact CA-O 3.23Å; W274-V296 WeakPolarHBondContact CA-O 3.3Å; T275-V296 HydrophobicContact CG2-CB 4.09Å; T275-V296 PolarHBondContact N-O 2.91Å; T275-V296 PolarHBondContact O-N 3.25Å; L277-V296 HydrophobicContact CD1-CB 4.38Å; L277-V296 HydrophobicContact CD1-CG2 3.8Å; E294-V296 HydrophobicContact CG-CG2 3.99Å
297L98.7Very high83.8Confident0 Ų051.4 Ų51.40%028%0.276CS..EExtended strand (participates in β ladder)trans-107135.3-177.5-68.2141.7000109.7I221 L222 L256 L259 I260 L264 V271 W274 I295 L299I221-L297 WeakPolarHBondContact CA-O 3.41Å; L222-L297 HydrophobicContact CB-CB 4.36Å; L222-L297 HydrophobicContact CD2-CD1 4.18Å; L222-L297 PolarHBondContact N-O 2.83Å; L222-L297 PolarHBondContact O-N 3.3Å; L256-L297 HydrophobicContact CD1-CD1 4.3Å; L256-L297 HydrophobicContact CD1-CD2 4.27Å; L259-L297 HydrophobicContact CD2-CD1 4.15Å; I260-L297 HydrophobicContact CD1-CD2 4.4Å; L264-L297 HydrophobicContact CD1-CD1 4.11Å; V271-L297 HydrophobicContact CG1-CD2 3.87Å; V271-L297 HydrophobicContact CG2-CD2 3.88Å; W274-L297 HydrophobicContact CB-CD2 3.73Å; W274-L297 HydrophobicContact CB-CG 4.25Å; W274-L297 HydrophobicContact CG-CD2 4.48Å; I295-L297 HydrophobicContact CG2-CD1 4.27Å; I295-L297 HydrophobicContact CG2-CG 4.04Å; L297-L299 HydrophobicContact CB-CD1 4.48Å; L297-L299 HydrophobicContact CB-CD2 3.98Å; L297-L299 HydrophobicContact CB-CG 4.05Å; L297-L299 HydrophobicContact CD2-CD2 4.49Å
298V98.6Very high84Confident6 Ų649.4 Ų49.44%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-98.9116.4164.2-174.30000107.3L112 L113 I219 L272 R273L112-V298 HydrophobicContact CD1-CG2 3.96Å; L112-V298 HydrophobicContact CD2-CG2 3.89Å; L112-V298 HydrophobicContact CG-CG2 3.57Å; L113-V298 HydrophobicContact CD2-CG1 4.11Å; L113-V298 HydrophobicContact CD2-CG2 3.79Å; I219-V298 HydrophobicContact CB-CG1 4.24Å; I219-V298 HydrophobicContact CD1-CG1 4.05Å; I219-V298 HydrophobicContact CG2-CG1 4.4Å; L272-V298 HydrophobicContact CB-CB 4.47Å; L272-V298 HydrophobicContact CB-CG1 4.33Å; L272-V298 WeakPolarHBondContact CB-O 3.22Å; L272-V298 HydrophobicContact CD1-CG1 4.24Å; L272-V298 PolarHBondContact N-O 2.92Å; R273-V298 HydrophobicContact CB-CB 4.32Å; R273-V298 HydrophobicContact CB-CG2 4.38Å; R273-V298 PolarHBondContact N-O 3.48Å; R273-V298 PolarHBondContact O-N 2.89Å
299L98.3Very high84Confident0 Ų052.1 Ų52.10%028%0.284CS..EExtended strand (participates in β ladder)trans-117.1144.3-173.7-56.7173.8000109.5I219 L220 L222 L264 F269 H270 V271 L297I219-L299 CarbonylContact C-O 3.54Å; I219-L299 WeakPolarHBondContact CA-O 3.37Å; L220-L299 HydrophobicContact CB-CB 4.11Å; L220-L299 HydrophobicContact CD2-CD1 3.69Å; L220-L299 HydrophobicContact CG-CB 4.42Å; L220-L299 HydrophobicContact CG-CD1 4.1Å; L220-L299 PolarHBondContact N-O 3.41Å; L220-L299 PolarHBondContact O-N 3.4Å; L222-L299 HydrophobicContact CB-CD1 3.9Å; L222-L299 HydrophobicContact CD2-CD1 3.87Å; L264-L299 HydrophobicContact CD1-CD1 3.96Å; L264-L299 HydrophobicContact CD1-CD2 4Å; L264-L299 HydrophobicContact CD2-CD1 3.95Å; L264-L299 HydrophobicContact CG-CD1 4.49Å; F269-L299 HydrophobicContact CB-CB 4.23Å; F269-L299 HydrophobicContact CB-CD1 4.43Å; F269-L299 HydrophobicContact CD1-CB 3.87Å; F269-L299 HydrophobicContact CG-CB 4.3Å; F269-L299 HydrophobicContact CG-CD1 4.48Å; H270-L299 WeakPolarHBondContact O-CA 3.45Å; V271-L299 HydrophobicContact CB-CD2 4.25Å; V271-L299 HydrophobicContact CG2-CD2 3.69Å; L297-L299 HydrophobicContact CB-CD1 4.48Å; L297-L299 HydrophobicContact CB-CD2 3.98Å; L297-L299 HydrophobicContact CB-CG 4.05Å; L297-L299 HydrophobicContact CD2-CD2 4.49Å
300Q97Very high83.8Confident45 Ų4555.2 Ų55.221%0.2130%0.301CS..EExtended strand (participates in β ladder)trans-124.7147.7172.3177.4175.477.100110T216 I219 F269 H270 L272T216-Q300 VanDerWaalsContact O-CD 3.3Å; T216-Q300 PolarHBondContact O-NE2 3.39Å; I219-Q300 HydrophobicContact CG2-CB 4.44Å; F269-Q300 WeakPolarHBondContact CA-O 3.42Å; H270-Q300 VanDerWaalsContact CE1-CB 3.49Å; H270-Q300 WeakPolarHBondContact CE1-CB 3.16Å; H270-Q300 PolarHBondContact CE1-OE1 2.86Å; H270-Q300 PolarHBondContact N-O 2.77Å; H270-Q300 PolarHBondContact ND1-O 2.85Å; H270-Q300 VanDerWaalsContact ND1-O 3.08Å; H270-Q300 PolarHBondContact O-N 3.04Å; L272-Q300 HydrophobicContact CD1-CB 3.7Å; L272-Q300 HydrophobicContact CD2-CB 4.31Å; L272-Q300 HydrophobicContact CG-CB 3.91Å
301T93.8Very high83.7Confident11 Ų1153.8 Ų53.87%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-68.213617957.20000110.2N210 L213 N268 F269N210-T301 HydrophobicContact CB-CG2 4.39Å; N210-T301 WeakPolarHBondContact ND2-CG2 3.31Å; L213-T301 HydrophobicContact CB-CG2 4.16Å; L213-T301 HydrophobicContact CD1-CG2 3.83Å; N268-T301 WeakPolarHBondContact O-CA 3.42Å; F269-T301 HydrophobicContact CD1-CG2 4.31Å; F269-T301 HydrophobicContact CE1-CG2 3.76Å; F269-T301 HydrophobicContact CZ-CG2 4.43Å
302V88Confident83.3Confident66 Ų6650.8 Ų50.840%0.430%0.295SS..  trans-89.1113.3168.5-1760000106.6N268 H270 S304N268-V302 PolarHBondContact O-N 3.39Å; H270-V302 HydrophobicContact CB-CG2 3.98Å; H270-V302 WeakPolarHBondContact ND1-CG2 3.25Å; V302-S304 PolarHBondContact O-N 2.94Å
303T71.6Confident82.8Confident88 Ų8847.9 Ų47.954%0.5428%0.282SS..  trans-64.6108.3169.4-43.30000106.9S305T303-S305 PolarHBondContact O-N 3.17Å
304S56.2Low82Confident73 Ų7349.5 Ų49.551%0.5129%0.293SS..  trans-57.2110164.7-540000106.1V302 I306V302-S304 PolarHBondContact O-N 2.94Å; S304-I306 PolarHBondContact O-N 3.39Å
305S37.9Very low80.9Confident119 Ų11953.7 Ų53.783%0.83232%0.317SS*.  trans-59.1106.7167.8-43.70000105.5T303T303-S305 PolarHBondContact O-N 3.17Å
306I34Very low79.3Confident236 Ų23658.5 Ų58.5100%1.2135%0.346SS*.  trans-70.70159.5-57.7173.4000106.4S304S304-I306 PolarHBondContact O-N 3.39Å

Retrieved 306 of 306 residues in 64.3 ms (Link to these results)

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