AGRG1_MOUSE Loading...

Isoform 2 of Adhesion G-protein coupled receptor G1 AlphaSync

Adhesion G-protein coupled receptor (aGPCR) for phosphatidylserine, which is involved in microglia-mediated synapse pruning during development1. Required to maintain appropriate synaptic numbers in several brain regions in a time- and circuit-dependent fashion: phosphatidylserine-binding acts as a 'eat-me' signal for apoptotic cells, leading to microglial engulfment of phosphatidylserine-positive synapses2.

AlphaFold DB , UniProt , Accession Q8K209-2 (canonical: Q8K209), Species MOUSE (Mus musculus, Mouse), Gene Adgrg1, Length 512 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M76.9Confident83.5Confident116 Ų11679.4 Ų79.457%0.57140%0.395SS*.  0-57.20-72.8178.773.400111.9D3 L4 K5 V44 L51M1-D3 PolarHBondContact O-N 2.86Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-K5 PolarHBondContact O-N 3.41Å; M1-V44 HydrophobicContact CB-CG2 4.47Å; M1-V44 HydrophobicContact CG-CG2 3.44Å; M1-V44 VanDerWaalsContact CG-CG2 3.44Å; M1-L51 HydrophobicContact CE-CD1 4Å; M1-L51 HydrophobicContact CE-CD2 4.4Å
2C80.1Confident83.7Confident108 Ų10873.1 Ų73.173%0.7337%0.365SS*.Hα-helixtrans-57.4-43.5179.9-62.60000113.8L4 K5 K6C2-L4 PolarHBondContact O-N 3.26Å; C2-K5 PolarHBondContact O-N 3.28Å; C2-K6 PolarHBondContact O-N 3.35Å
3D82.3Confident83.8Confident121 Ų12179.6 Ų79.665%0.64738%0.383SS*.Hα-helixtrans-63.4-41.7178.4-59.5-44.2000112.4M1 K6 E7M1-D3 PolarHBondContact O-N 2.86Å; D3-K6 PolarHBondContact O-N 3.49Å; D3-E7 PolarHBondContact O-N 3.15Å
4L84.3Confident83.7Confident7 Ų778.1 Ų78.14%0.03737%0.371CS..Hα-helixtrans-64-43.7177.3178.159.8000111.4M1 C2 K6 E7 L8 L37 K40 L41 V44 F53M1-L4 PolarHBondContact O-N 3.24Å; C2-L4 PolarHBondContact O-N 3.26Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 2.98Å; L4-E7 PolarHBondContact O-N 3.16Å; L4-L8 HydrophobicContact CD1-CD1 4.28Å; L4-L8 HydrophobicContact CD1-CG 4.32Å; L4-L8 HydrophobicContact CG-CD1 4.06Å; L4-L8 WeakPolarHBondContact O-CG 3.42Å; L4-L8 PolarHBondContact O-N 3.44Å; L4-L37 HydrophobicContact CD1-CD1 4.21Å; L4-K40 HydrophobicContact CD1-CB 3.84Å; L4-L41 HydrophobicContact CD1-CG 4.41Å; L4-L41 HydrophobicContact CD2-CD2 3.81Å; L4-L41 HydrophobicContact CD2-CG 4.26Å; L4-V44 HydrophobicContact CD2-CB 4.36Å; L4-V44 HydrophobicContact CD2-CG2 4.37Å; L4-F53 HydrophobicContact CD2-CD2 4.36Å; L4-F53 HydrophobicContact CD2-CE1 4.33Å; L4-F53 HydrophobicContact CD2-CE2 3.63Å; L4-F53 HydrophobicContact CD2-CZ 3.62Å; L4-F53 HydrophobicContact CG-CE2 4.49Å; L4-F53 HydrophobicContact CG-CZ 4.29Å
5K84.4Confident83.5Confident105 Ų10573.1 Ų73.146%0.45735%0.348SS..Hα-helixtrans-59.8-42.9174.8-173.1172.7-176.71710111.3M1 C2 E7 L8 Q9M1-K5 PolarHBondContact O-N 3.41Å; C2-K5 PolarHBondContact O-N 3.28Å; K5-E7 VanDerWaalsContact C-N 3.32Å; K5-E7 PolarHBondContact O-N 2.88Å; K5-L8 PolarHBondContact O-N 2.97Å; K5-Q9 WeakPolarHBondContact O-CB 3.3Å; K5-Q9 VanDerWaalsContact O-CG 3.26Å; K5-Q9 WeakPolarHBondContact O-CG 3.33Å; K5-Q9 PolarHBondContact O-N 3.18Å
6K84.9Confident83.4Confident141 Ų14172.7 Ų72.761%0.61335%0.346SS*.Hα-helixtrans-63.1-37.9177.7-169.9179.7179.3-1770112.4C2 D3 L4 Q10C2-K6 PolarHBondContact O-N 3.35Å; D3-K6 PolarHBondContact O-N 3.49Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 2.98Å; K6-Q10 WeakPolarHBondContact O-CB 3.4Å; K6-Q10 PolarHBondContact O-N 3.14Å
7E83.9Confident82.9Confident67 Ų6774 Ų7431%0.31335%0.351SS..Hα-helixtrans-70.8-43.3175.6-76.1-170.6166.100113D3 L4 K5 Q9 Q10 L11 K40D3-E7 PolarHBondContact O-N 3.15Å; L4-E7 PolarHBondContact O-N 3.16Å; K5-E7 VanDerWaalsContact C-N 3.32Å; K5-E7 PolarHBondContact O-N 2.88Å; E7-Q9 VanDerWaalsContact C-N 3.26Å; E7-Q9 PolarHBondContact O-N 3.34Å; E7-Q10 PolarHBondContact O-N 3.35Å; E7-Q10 VanDerWaalsContact O-N 3.11Å; E7-L11 WeakPolarHBondContact O-CB 3.19Å; E7-L11 PolarHBondContact O-N 3.23Å; E7-K40 IonicContact OE1-NZ 2.83Å; E7-K40 PolarHBondContact OE1-NZ 3.19Å; E7-K40 WeakPolarHBondContact OE2-CD 3.39Å; E7-K40 VanDerWaalsContact OE2-CE 3.29Å; E7-K40 WeakPolarHBondContact OE2-CE 3.5Å; E7-K40 IonicContact OE2-NZ 2.58Å; E7-K40 PolarHBondContact OE2-NZ 3.14Å
8L84.8Confident81.9Confident0 Ų072.9 Ų72.90%035%0.351CS..Hα-helixtrans-58.1-40.9173.1-72.6166.9000111.1L4 K5 L11 S12 L37 F53 E55 V58 A60L4-L8 HydrophobicContact CD1-CD1 4.28Å; L4-L8 HydrophobicContact CD1-CG 4.32Å; L4-L8 HydrophobicContact CG-CD1 4.06Å; L4-L8 WeakPolarHBondContact O-CG 3.42Å; L4-L8 PolarHBondContact O-N 3.44Å; K5-L8 PolarHBondContact O-N 2.97Å; L8-L11 PolarHBondContact O-N 3.4Å; L8-S12 VanDerWaalsContact O-CB 3.3Å; L8-S12 WeakPolarHBondContact O-CB 3.22Å; L8-S12 PolarHBondContact O-N 3.39Å; L8-L37 HydrophobicContact CD2-CD1 3.58Å; L8-L37 HydrophobicContact CG-CD1 4.3Å; L8-F53 HydrophobicContact CD1-CB 3.44Å; L8-F53 VanDerWaalsContact CD1-CB 3.44Å; L8-F53 HydrophobicContact CD1-CD1 3.96Å; L8-F53 HydrophobicContact CD1-CD2 4.18Å; L8-F53 HydrophobicContact CD1-CG 3.61Å; L8-E55 HydrophobicContact CB-CG 4.07Å; L8-V58 HydrophobicContact CB-CG1 4.36Å; L8-V58 HydrophobicContact CD2-CG1 3.35Å; L8-V58 HydrophobicContact CG-CG1 4.46Å; L8-A60 HydrophobicContact CD2-CB 4.35Å
9Q86.2Confident80.6Confident60 Ų6079.2 Ų79.228%0.2838%0.38SS..Hα-helixtrans-63.4-40.2173.6-77.2178.3-8.400113.4K5 E7 R13 E55K5-Q9 WeakPolarHBondContact O-CB 3.3Å; K5-Q9 VanDerWaalsContact O-CG 3.26Å; K5-Q9 WeakPolarHBondContact O-CG 3.33Å; K5-Q9 PolarHBondContact O-N 3.18Å; E7-Q9 VanDerWaalsContact C-N 3.26Å; E7-Q9 PolarHBondContact O-N 3.34Å; Q9-R13 WeakPolarHBondContact O-CG 3.49Å; Q9-R13 PolarHBondContact O-N 2.86Å; Q9-E55 HydrophobicContact CG-CG 4.36Å; Q9-E55 VanDerWaalsContact CG-OE1 3.26Å; Q9-E55 WeakPolarHBondContact CG-OE1 3.39Å; Q9-E55 WeakPolarHBondContact CG-OE2 3.35Å; Q9-E55 PolarHBondContact NE2-OE1 2.99Å
10Q85.4Confident79.3Confident132 Ų13283.8 Ų83.862%0.61740%0.398SS*.Hα-helixtrans-68.9-40.1177.7-174.4172.1-700111.2K6 E7 R13 Y14K6-Q10 WeakPolarHBondContact O-CB 3.4Å; K6-Q10 PolarHBondContact O-N 3.14Å; E7-Q10 PolarHBondContact O-N 3.35Å; E7-Q10 VanDerWaalsContact O-N 3.11Å; Q10-R13 PolarHBondContact O-N 3.49Å; Q10-Y14 PolarHBondContact O-N 3.41Å; Q10-Y14 VanDerWaalsContact O-N 3.07Å
11L84.7Confident78.2Confident16 Ų1681.4 Ų81.48%0.08439%0.392CS..Hα-helixtrans-64.3-47174.7-169.860.8000110.9E7 L8 R13 Y14 L15 L37 V58 F118 L123E7-L11 WeakPolarHBondContact O-CB 3.19Å; E7-L11 PolarHBondContact O-N 3.23Å; L8-L11 PolarHBondContact O-N 3.4Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 3.41Å; L11-Y14 WeakPolarHBondContact O-CB 3.47Å; L11-Y14 PolarHBondContact O-N 3.48Å; L11-Y14 VanDerWaalsContact O-N 3.09Å; L11-L15 HydrophobicContact CG-CD1 4.33Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.44Å; L11-L37 HydrophobicContact CD2-CD2 4.47Å; L11-V58 HydrophobicContact CD2-CG2 4.46Å; L11-F118 HydrophobicContact CD2-CE1 4.15Å; L11-L123 HydrophobicContact CD1-CD1 4.05Å
12S85.9Confident76.6Confident4 Ų481 Ų813%0.02841%0.408CS..Hα-helixtrans-56.5-44.7175.9-177.50000111.8L8 Y14 L15 Q16 R57L8-S12 VanDerWaalsContact O-CB 3.3Å; L8-S12 WeakPolarHBondContact O-CB 3.22Å; L8-S12 PolarHBondContact O-N 3.39Å; S12-Y14 PolarHBondContact O-N 3.43Å; S12-L15 PolarHBondContact O-N 2.85Å; S12-Q16 WeakPolarHBondContact O-CG 3.42Å; S12-Q16 PolarHBondContact O-N 3.43Å; S12-R57 PolarHBondContact OG-N 3.13Å
13R85.1Confident75.5Confident158 Ų15884.5 Ų84.560%0.59641%0.41SS*.Hα-helixtrans-62.4-38.5174.8-79.5-176.2-115.5165.8-5.7113.6Q9 Q10 L11 Q16Q9-R13 WeakPolarHBondContact O-CG 3.49Å; Q9-R13 PolarHBondContact O-N 2.86Å; Q10-R13 PolarHBondContact O-N 3.49Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 3.41Å; R13-Q16 PolarHBondContact O-N 2.97Å
14Y82.2Confident74.4Confident58 Ų5887.1 Ų87.123%0.22741%0.411CS..Hα-helixtrans-63.9-44.9175176.6-96000111Q10 L11 S12 Q16 H17 A21 P25 L123Q10-Y14 PolarHBondContact O-N 3.41Å; Q10-Y14 VanDerWaalsContact O-N 3.07Å; L11-Y14 WeakPolarHBondContact O-CB 3.47Å; L11-Y14 PolarHBondContact O-N 3.48Å; L11-Y14 VanDerWaalsContact O-N 3.09Å; S12-Y14 PolarHBondContact O-N 3.43Å; Y14-Q16 VanDerWaalsContact C-N 3.31Å; Y14-Q16 PolarHBondContact O-N 3.25Å; Y14-H17 CarbonylContact O-C 3.58Å; Y14-H17 PolarHBondContact O-N 2.91Å; Y14-A21 HydrophobicContact CE2-CB 3.78Å; Y14-P25 WeakPolarHBondContact OH-CD 3.33Å; Y14-P25 WeakPolarHBondContact OH-CG 3.28Å; Y14-L123 HydrophobicContact CE1-CD2 4.14Å
15L81.9Confident73.3Confident3 Ų387.8 Ų87.82%0.01642%0.416CS..Hα-helixtrans-64.6-30.9178-66.7175.3000113.1L11 S12 H17 R57 V58 F118 A122 L123L11-L15 HydrophobicContact CG-CD1 4.33Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.44Å; S12-L15 PolarHBondContact O-N 2.85Å; L15-H17 VanDerWaalsContact C-N 3.34Å; L15-R57 HydrophobicContact CB-CB 3.79Å; L15-R57 HydrophobicContact CB-CG 4.18Å; L15-R57 HydrophobicContact CD1-CB 4Å; L15-V58 HydrophobicContact CD1-CB 4.42Å; L15-V58 HydrophobicContact CD1-CG2 4.03Å; L15-F118 HydrophobicContact CD1-CD1 4.01Å; L15-A122 HydrophobicContact CD2-CB 3.91Å; L15-L123 HydrophobicContact CD2-CD1 3.98Å; L15-L123 HydrophobicContact CD2-CG 3.81Å
16Q81.9Confident72.3Confident67 Ų6787 Ų8731%0.31342%0.42SS..Hα-helixtrans-68.2-29.8174.9-75.2179-6.600113.5S12 R13 Y14 D56 R57S12-Q16 WeakPolarHBondContact O-CG 3.42Å; S12-Q16 PolarHBondContact O-N 3.43Å; R13-Q16 PolarHBondContact O-N 2.97Å; Y14-Q16 VanDerWaalsContact C-N 3.31Å; Y14-Q16 PolarHBondContact O-N 3.25Å; Q16-D56 PolarHBondContact NE2-OD2 3.4Å; Q16-R57 HydrophobicContact CG-CG 3.66Å
17H74.5Confident71.3Confident95 Ų9581.2 Ų81.244%0.4440%0.398SS..  trans-134.861.7-173.3-63.189.2000112.5Y14 L15 Q19 K20Y14-H17 CarbonylContact O-C 3.58Å; Y14-H17 PolarHBondContact O-N 2.91Å; L15-H17 VanDerWaalsContact C-N 3.34Å; H17-Q19 PolarHBondContact O-N 3.29Å; H17-Q19 VanDerWaalsContact O-N 3.15Å; H17-K20 HydrophobicContact CB-CB 4.47Å; H17-K20 HydrophobicContact CB-CD 4.16Å; H17-K20 HydrophobicContact CB-CG 4.34Å; H17-K20 PolarHBondContact O-N 2.75Å; H17-K20 VanDerWaalsContact O-N 3.15Å
18P64.3Low70.5Confident54 Ų5481 Ų8135%0.35141%0.409SS..G310 helixtrans-62-29.8-174.924.6-33.5000112.6K20 A21 A122P18-K20 VanDerWaalsContact C-N 3.32Å; P18-K20 PolarHBondContact O-N 2.93Å; P18-A21 WeakPolarHBondContact O-CB 3.19Å; P18-A21 PolarHBondContact O-N 3.49Å; P18-A122 HydrophobicContact CB-CB 3.88Å; P18-A122 HydrophobicContact CG-CB 4.38Å
19Q58.2Low70Confident193 Ų19384.6 Ų84.690%0.90242%0.424SS*.G310 helixtrans-71.9-18.8-179.1-66.7-174.7-12.200114.6H17 A21H17-Q19 PolarHBondContact O-N 3.29Å; H17-Q19 VanDerWaalsContact O-N 3.15Å; Q19-A21 PolarHBondContact O-N 3.32Å
20K54.7Low69.3Low171 Ų17181.9 Ų81.974%0.74341%0.412SS*.G310 helixtrans-76.3-13.6175.8-73.3-176179.71710112.4H17 P18 A22H17-K20 HydrophobicContact CB-CB 4.47Å; H17-K20 HydrophobicContact CB-CD 4.16Å; H17-K20 HydrophobicContact CB-CG 4.34Å; H17-K20 PolarHBondContact O-N 2.75Å; H17-K20 VanDerWaalsContact O-N 3.15Å; P18-K20 VanDerWaalsContact C-N 3.32Å; P18-K20 PolarHBondContact O-N 2.93Å; K20-A22 PolarHBondContact O-N 2.95Å
21A54.7Low68.8Low33 Ų3376.8 Ų76.827%0.27339%0.39SS..SBendtrans-77.6116.5172.700000109.5Y14 P18 Q19 K23Y14-A21 HydrophobicContact CE2-CB 3.78Å; P18-A21 WeakPolarHBondContact O-CB 3.19Å; P18-A21 PolarHBondContact O-N 3.49Å; Q19-A21 PolarHBondContact O-N 3.32Å; A21-K23 PolarHBondContact O-N 3.44Å
22A44.8Very low68.5Low108 Ų10882.1 Ų82.189%0.89342%0.415SS*.SBendtrans-60.4-10.3-174.300000115.1K20K20-A22 PolarHBondContact O-N 2.95Å
23K56.1Low68.3Low181 Ų18185.1 Ų85.179%0.78743%0.428SS*.SBendtrans-145.5143.3177.2-68.9-175.7178.6177.70109.9A21A21-K23 PolarHBondContact O-N 3.44Å
24R59.5Low68.2Low177 Ų17777.7 Ų77.767%0.66840%0.4SS*.PPolyproline II helixtrans-55.2136.1167.3-78.6-178.6177.4175.3-2.7109.2T26R24-T26 PolarHBondContact O-N 2.98Å
25P61.2Low68.2Low21 Ų2180.5 Ų80.514%0.13642%0.416CS..PPolyproline II helixtrans-61.5137.2178.224.5-30.8000110Y14 F29 I30Y14-P25 WeakPolarHBondContact OH-CD 3.33Å; Y14-P25 WeakPolarHBondContact OH-CG 3.28Å; P25-F29 HydrophobicContact CB-CD1 3.67Å; P25-F29 HydrophobicContact CB-CE1 4.3Å; P25-I30 HydrophobicContact CB-CD1 4.3Å; P25-I30 HydrophobicContact CB-CG1 4.1Å; P25-I30 HydrophobicContact CG-CD1 4.24Å; P25-I30 HydrophobicContact CG-CG1 4.35Å
26T64.1Low68.3Low88 Ų8882 Ų8254%0.5443%0.427SS..PPolyproline II helixtrans-74.5154.3173.951.60000109.9R24 A28 F29 I30R24-T26 PolarHBondContact O-N 2.98Å; T26-A28 PolarHBondContact O-N 2.96Å; T26-F29 WeakPolarHBondContact O-CB 3.4Å; T26-F29 PolarHBondContact O-N 3.36Å; T26-F29 PolarHBondContact OG1-N 2.95Å; T26-I30 PolarHBondContact O-N 3.3Å; T26-I30 VanDerWaalsContact O-N 3.12Å
27A63.3Low68.5Low19 Ų1979.2 Ų79.216%0.15741%0.414CS..Hα-helixtrans-52.9-42.1175.200000112.3F29 I30 S31 S182A27-F29 VanDerWaalsContact C-N 3.26Å; A27-F29 PolarHBondContact O-N 2.94Å; A27-I30 PolarHBondContact O-N 3.35Å; A27-I30 VanDerWaalsContact O-N 3.12Å; A27-S31 PolarHBondContact O-N 3.03Å; A27-S31 PolarHBondContact O-OG 3.38Å; A27-S182 WeakPolarHBondContact CB-O 3.27Å
28A67Low69.1Low64 Ų6477.1 Ų77.153%0.52940%0.404SS..Hα-helixtrans-59.2-35.8177.400000112.9T26 S31 Q32T26-A28 PolarHBondContact O-N 2.96Å; A28-S31 WeakPolarHBondContact CA-OG 3.44Å; A28-S31 PolarHBondContact O-OG 3.41Å; A28-S31 VanDerWaalsContact O-OG 3.07Å; A28-Q32 WeakPolarHBondContact O-CB 3.39Å; A28-Q32 PolarHBondContact O-N 2.97Å
29F73.9Confident70.1Confident74 Ų7477.7 Ų77.733%0.32541%0.409SS..Hα-helixtrans-68.8-44.9175.1177.4-95.6000111.1P25 T26 A27 Q32 Q33P25-F29 HydrophobicContact CB-CD1 3.67Å; P25-F29 HydrophobicContact CB-CE1 4.3Å; T26-F29 WeakPolarHBondContact O-CB 3.4Å; T26-F29 PolarHBondContact O-N 3.36Å; T26-F29 PolarHBondContact OG1-N 2.95Å; A27-F29 VanDerWaalsContact C-N 3.26Å; A27-F29 PolarHBondContact O-N 2.94Å; F29-Q32 PolarHBondContact O-N 3.19Å; F29-Q33 HydrophobicContact CD1-CG 4.17Å; F29-Q33 HydrophobicContact CE1-CG 3.78Å; F29-Q33 HydrophobicContact CE2-CG 4.21Å; F29-Q33 HydrophobicContact CZ-CG 3.8Å; F29-Q33 WeakPolarHBondContact O-CB 3.34Å; F29-Q33 VanDerWaalsContact O-CG 3.26Å; F29-Q33 WeakPolarHBondContact O-CG 3.05Å; F29-Q33 PolarHBondContact O-N 3.36Å
30I72.7Confident71.4Confident4 Ų471.5 Ų71.52%0.02138%0.38CS..Hα-helixtrans-62.4-50.8179.1-65.2154.5000110.3P25 T26 A27 Q32 Q33 L34 L123P25-I30 HydrophobicContact CB-CD1 4.3Å; P25-I30 HydrophobicContact CB-CG1 4.1Å; P25-I30 HydrophobicContact CG-CD1 4.24Å; P25-I30 HydrophobicContact CG-CG1 4.35Å; T26-I30 PolarHBondContact O-N 3.3Å; T26-I30 VanDerWaalsContact O-N 3.12Å; A27-I30 PolarHBondContact O-N 3.35Å; A27-I30 VanDerWaalsContact O-N 3.12Å; I30-Q32 VanDerWaalsContact C-N 3.28Å; I30-Q32 PolarHBondContact O-N 3.42Å; I30-Q33 PolarHBondContact O-N 2.94Å; I30-Q33 VanDerWaalsContact O-N 3.11Å; I30-L34 HydrophobicContact CG2-CD1 3.95Å; I30-L34 HydrophobicContact CG2-CG 4.37Å; I30-L34 WeakPolarHBondContact O-CG 3.26Å; I30-L34 PolarHBondContact O-N 2.96Å; I30-L123 WeakPolarHBondContact CD1-O 3.29Å; I30-L123 HydrophobicContact CG1-CD2 4.29Å; I30-L123 WeakPolarHBondContact CG1-O 3.22Å; I30-L123 HydrophobicContact CG2-CB 4.38Å; I30-L123 WeakPolarHBondContact CG2-O 3.2Å
31S74.3Confident72.9Confident24 Ų2463.3 Ų63.317%0.16834%0.344CS..Hα-helixtrans-59.6-40.8179.265.20000111.3A27 A28 L34 Q35 E176A27-S31 PolarHBondContact O-N 3.03Å; A27-S31 PolarHBondContact O-OG 3.38Å; A28-S31 WeakPolarHBondContact CA-OG 3.44Å; A28-S31 PolarHBondContact O-OG 3.41Å; A28-S31 VanDerWaalsContact O-OG 3.07Å; S31-L34 PolarHBondContact O-N 3.44Å; S31-Q35 VanDerWaalsContact O-CB 3.28Å; S31-Q35 WeakPolarHBondContact O-CB 3.46Å; S31-Q35 WeakPolarHBondContact O-CG 3.29Å; S31-Q35 PolarHBondContact O-N 3.44Å; S31-E176 WeakPolarHBondContact CB-OE2 3.4Å
32Q79.2Confident74.3Confident128 Ų12862.8 Ų62.860%0.59834%0.337SS*.Hα-helixtrans-66.2-38.6177-172.5178.45.800112.1A28 F29 I30 S36A28-Q32 WeakPolarHBondContact O-CB 3.39Å; A28-Q32 PolarHBondContact O-N 2.97Å; F29-Q32 PolarHBondContact O-N 3.19Å; I30-Q32 VanDerWaalsContact C-N 3.28Å; I30-Q32 PolarHBondContact O-N 3.42Å; Q32-S36 WeakPolarHBondContact O-CB 3.49Å; Q32-S36 PolarHBondContact O-N 2.78Å
33Q80.4Confident76.1Confident67 Ų6762 Ų6231%0.31333%0.325SS..Hα-helixtrans-65.7-47175.6-72.8-67.4-36.500111.5F29 I30 S36 L37F29-Q33 HydrophobicContact CD1-CG 4.17Å; F29-Q33 HydrophobicContact CE1-CG 3.78Å; F29-Q33 HydrophobicContact CE2-CG 4.21Å; F29-Q33 HydrophobicContact CZ-CG 3.8Å; F29-Q33 WeakPolarHBondContact O-CB 3.34Å; F29-Q33 VanDerWaalsContact O-CG 3.26Å; F29-Q33 WeakPolarHBondContact O-CG 3.05Å; F29-Q33 PolarHBondContact O-N 3.36Å; I30-Q33 PolarHBondContact O-N 2.94Å; I30-Q33 VanDerWaalsContact O-N 3.11Å; Q33-S36 PolarHBondContact O-N 2.92Å; Q33-L37 VanDerWaalsContact O-CB 3.3Å; Q33-L37 WeakPolarHBondContact O-CB 3.33Å; Q33-L37 PolarHBondContact O-N 2.71Å
34L82.7Confident77.5Confident2 Ų253.8 Ų53.81%0.0129%0.29CS..Hα-helixtrans-64-46.8178.8-66.6176.6000111.4I30 S31 S36 L37 E38 F118 F124 Y209I30-L34 HydrophobicContact CG2-CD1 3.95Å; I30-L34 HydrophobicContact CG2-CG 4.37Å; I30-L34 WeakPolarHBondContact O-CG 3.26Å; I30-L34 PolarHBondContact O-N 2.96Å; S31-L34 PolarHBondContact O-N 3.44Å; L34-S36 PolarHBondContact O-N 3.23Å; L34-L37 WeakPolarHBondContact O-CB 3.45Å; L34-L37 PolarHBondContact O-N 2.95Å; L34-E38 WeakPolarHBondContact O-CB 3.49Å; L34-E38 WeakPolarHBondContact O-CG 3.3Å; L34-E38 PolarHBondContact O-N 2.85Å; L34-F118 HydrophobicContact CD2-CE2 4.36Å; L34-F118 HydrophobicContact CD2-CZ 3.77Å; L34-F124 HydrophobicContact CD1-CE1 3.95Å; L34-F124 HydrophobicContact CD1-CZ 4.3Å; L34-F124 HydrophobicContact CD2-CZ 4.24Å; L34-Y209 HydrophobicContact CB-CE2 4.48Å; L34-Y209 HydrophobicContact CD1-CD2 4.28Å; L34-Y209 HydrophobicContact CD1-CE2 3.88Å; L34-Y209 HydrophobicContact CD2-CE1 3.99Å; L34-Y209 HydrophobicContact CD2-CE2 4.44Å; L34-Y209 HydrophobicContact CG-CE2 4.49Å
35Q83.2Confident78.6Confident117 Ų11749.9 Ų49.955%0.54729%0.29SS..Hα-helixtrans-62.9-40.8176.3-72.2174800112.5S31 L37 S39S31-Q35 VanDerWaalsContact O-CB 3.28Å; S31-Q35 WeakPolarHBondContact O-CB 3.46Å; S31-Q35 WeakPolarHBondContact O-CG 3.29Å; S31-Q35 PolarHBondContact O-N 3.44Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-S39 VanDerWaalsContact O-CB 3.29Å; Q35-S39 WeakPolarHBondContact O-CB 3.46Å; Q35-S39 PolarHBondContact O-N 3.34Å; Q35-S39 PolarHBondContact O-OG 3.01Å
36S84.6Confident79.7Confident36 Ų3649.9 Ų49.925%0.25229%0.288SS..Hα-helixtrans-60.6-47.1174.5179.20000110.7Q32 Q33 L34 S39 K40Q32-S36 WeakPolarHBondContact O-CB 3.49Å; Q32-S36 PolarHBondContact O-N 2.78Å; Q33-S36 PolarHBondContact O-N 2.92Å; L34-S36 PolarHBondContact O-N 3.23Å; S36-S39 PolarHBondContact O-N 3.41Å; S36-S39 PolarHBondContact O-OG 3.34Å; S36-K40 WeakPolarHBondContact O-CG 3.47Å; S36-K40 PolarHBondContact O-N 2.82Å
37L85.3Confident80.5Confident8 Ų854.1 Ų54.14%0.04231%0.307CS..Hα-helixtrans-59.8-50.8178.3-178.566000111.5L4 L8 L11 Q33 L34 Q35 S39 K40 L41 V116 F118L4-L37 HydrophobicContact CD1-CD1 4.21Å; L8-L37 HydrophobicContact CD2-CD1 3.58Å; L8-L37 HydrophobicContact CG-CD1 4.3Å; L11-L37 HydrophobicContact CD2-CD2 4.47Å; Q33-L37 VanDerWaalsContact O-CB 3.3Å; Q33-L37 WeakPolarHBondContact O-CB 3.33Å; Q33-L37 PolarHBondContact O-N 2.71Å; L34-L37 WeakPolarHBondContact O-CB 3.45Å; L34-L37 PolarHBondContact O-N 2.95Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; L37-S39 PolarHBondContact O-N 3.34Å; L37-K40 PolarHBondContact O-N 3.29Å; L37-L41 HydrophobicContact CD1-CD1 3.99Å; L37-L41 HydrophobicContact CD1-CG 4.37Å; L37-L41 HydrophobicContact CG-CD1 3.81Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 WeakPolarHBondContact O-CG 3.44Å; L37-L41 PolarHBondContact O-N 3.46Å; L37-V116 HydrophobicContact CD2-CG1 4.07Å; L37-F118 HydrophobicContact CD2-CZ 4.1Å
38E86.5Confident81.5Confident50 Ų5055.3 Ų55.323%0.23432%0.321CS..Hα-helixtrans-56.9-47.1176.5-74.5179.4-171.800111.6L34 K40 L41 T42 V141 Y209L34-E38 WeakPolarHBondContact O-CB 3.49Å; L34-E38 WeakPolarHBondContact O-CG 3.3Å; L34-E38 PolarHBondContact O-N 2.85Å; E38-K40 VanDerWaalsContact C-N 3.31Å; E38-K40 PolarHBondContact O-N 2.95Å; E38-L41 PolarHBondContact O-N 3.33Å; E38-T42 WeakPolarHBondContact O-CB 3.44Å; E38-T42 PolarHBondContact O-N 3.01Å; E38-T42 PolarHBondContact O-OG1 3.45Å; E38-V141 WeakPolarHBondContact OE1-CG2 3.45Å; E38-Y209 PolarHBondContact OE1-OH 3.46Å
39S85.6Confident82.2Confident66 Ų6658 Ų5846%0.46233%0.326SS..Hα-helixtrans-62.3-36.9-178.976.10000112.7Q35 S36 L37 S43Q35-S39 VanDerWaalsContact O-CB 3.29Å; Q35-S39 WeakPolarHBondContact O-CB 3.46Å; Q35-S39 PolarHBondContact O-N 3.34Å; Q35-S39 PolarHBondContact O-OG 3.01Å; S36-S39 PolarHBondContact O-N 3.41Å; S36-S39 PolarHBondContact O-OG 3.34Å; L37-S39 PolarHBondContact O-N 3.34Å; S39-S43 WeakPolarHBondContact O-CB 3.4Å; S39-S43 PolarHBondContact O-N 3.21Å; S39-S43 PolarHBondContact O-OG 3.43Å
40K85.6Confident82.9Confident63 Ų6358.3 Ų58.327%0.27433%0.334SS..Hα-helixtrans-79.8-39.8-179.1-70.8-178.3-177.1-163.30112.8L4 E7 S36 L37 E38 T42 S43 V44L4-K40 HydrophobicContact CD1-CB 3.84Å; E7-K40 IonicContact OE1-NZ 2.83Å; E7-K40 PolarHBondContact OE1-NZ 3.19Å; E7-K40 WeakPolarHBondContact OE2-CD 3.39Å; E7-K40 VanDerWaalsContact OE2-CE 3.29Å; E7-K40 WeakPolarHBondContact OE2-CE 3.5Å; E7-K40 IonicContact OE2-NZ 2.58Å; E7-K40 PolarHBondContact OE2-NZ 3.14Å; S36-K40 WeakPolarHBondContact O-CG 3.47Å; S36-K40 PolarHBondContact O-N 2.82Å; L37-K40 PolarHBondContact O-N 3.29Å; E38-K40 VanDerWaalsContact C-N 3.31Å; E38-K40 PolarHBondContact O-N 2.95Å; K40-T42 PolarHBondContact O-N 2.69Å; K40-S43 PolarHBondContact O-N 3.35Å; K40-S43 PolarHBondContact O-OG 2.97Å; K40-V44 PolarHBondContact O-N 2.8Å; K40-V44 VanDerWaalsContact O-N 3.13Å
41L86Confident83.7Confident0 Ų059.4 Ų59.40%034%0.34CS..Hα-helixtrans-60.9-36.4169.6-75.3165.8000110.7L4 L37 E38 V44 F53 A60 V62 L114 V116L4-L41 HydrophobicContact CD1-CG 4.41Å; L4-L41 HydrophobicContact CD2-CD2 3.81Å; L4-L41 HydrophobicContact CD2-CG 4.26Å; L37-L41 HydrophobicContact CD1-CD1 3.99Å; L37-L41 HydrophobicContact CD1-CG 4.37Å; L37-L41 HydrophobicContact CG-CD1 3.81Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 WeakPolarHBondContact O-CG 3.44Å; L37-L41 PolarHBondContact O-N 3.46Å; E38-L41 PolarHBondContact O-N 3.33Å; L41-V44 VanDerWaalsContact O-CG1 3.23Å; L41-V44 WeakPolarHBondContact O-CG1 3.25Å; L41-F53 HydrophobicContact CD2-CD2 4.07Å; L41-F53 HydrophobicContact CD2-CE2 4.11Å; L41-A60 HydrophobicContact CD1-CB 3.97Å; L41-A60 HydrophobicContact CD2-CB 3.85Å; L41-V62 HydrophobicContact CB-CG2 3.97Å; L41-V62 HydrophobicContact CD2-CG2 3.57Å; L41-V62 HydrophobicContact CG-CG2 4.34Å; L41-L114 HydrophobicContact CB-CD2 3.38Å; L41-L114 HydrophobicContact CB-CG 4.46Å; L41-L114 HydrophobicContact CD1-CD2 4.08Å; L41-L114 HydrophobicContact CG-CD2 4.38Å; L41-V116 HydrophobicContact CD1-CG2 3.89Å
42T83.9Confident84.3Confident21 Ų2161.2 Ų61.213%0.12935%0.353CS..Hα-helixtrans-70.3-31.7177.2-60.50000112.9E38 K40 R112 Q143E38-T42 WeakPolarHBondContact O-CB 3.44Å; E38-T42 PolarHBondContact O-N 3.01Å; E38-T42 PolarHBondContact O-OG1 3.45Å; K40-T42 PolarHBondContact O-N 2.69Å; T42-R112 PolarHBondContact O-NH1 2.83Å; T42-Q143 HydrophobicContact CG2-CB 4.11Å; T42-Q143 HydrophobicContact CG2-CG 3.43Å; T42-Q143 VanDerWaalsContact CG2-CG 3.43Å
43S83.2Confident84.8Confident91 Ų9156 Ų5664%0.63633%0.328SS*.Hα-helixtrans-90.6-10-178.363.40000114.8S39 K40 S45S39-S43 WeakPolarHBondContact O-CB 3.4Å; S39-S43 PolarHBondContact O-N 3.21Å; S39-S43 PolarHBondContact O-OG 3.43Å; K40-S43 PolarHBondContact O-N 3.35Å; K40-S43 PolarHBondContact O-OG 2.97Å; S43-S45 PolarHBondContact O-N 3.19Å
44V85.3Confident85.1Confident9 Ų958.7 Ų58.76%0.05534%0.34CS..  trans-64.8127.5-174.976.30000112.5M1 L4 K40 L41 F46 L51 F53 R112M1-V44 HydrophobicContact CB-CG2 4.47Å; M1-V44 HydrophobicContact CG-CG2 3.44Å; M1-V44 VanDerWaalsContact CG-CG2 3.44Å; L4-V44 HydrophobicContact CD2-CB 4.36Å; L4-V44 HydrophobicContact CD2-CG2 4.37Å; K40-V44 PolarHBondContact O-N 2.8Å; K40-V44 VanDerWaalsContact O-N 3.13Å; L41-V44 VanDerWaalsContact O-CG1 3.23Å; L41-V44 WeakPolarHBondContact O-CG1 3.25Å; V44-F46 HydrophobicContact CG1-CD1 3.91Å; V44-F46 HydrophobicContact CG1-CE1 4.12Å; V44-L51 HydrophobicContact CG1-CD2 3.84Å; V44-L51 HydrophobicContact CG2-CD2 4.03Å; V44-F53 HydrophobicContact CG2-CZ 4.36Å; V44-R112 PolarHBondContact O-NH1 3.46Å; V44-R112 PolarHBondContact O-NH2 3.21Å
45S82Confident85.2Confident96 Ų9660 Ų6067%0.67135%0.347SS*.  trans-88.8133.3171.253.20000110.1S43S43-S45 PolarHBondContact O-N 3.19Å
46F85.7Confident85.2Confident21 Ų2160.2 Ų60.29%0.09235%0.352CS..  trans-149.8155.1176.558.9-84.4000110.7V44 L51 V62 K64V44-F46 HydrophobicContact CG1-CD1 3.91Å; V44-F46 HydrophobicContact CG1-CE1 4.12Å; F46-L51 HydrophobicContact CB-CB 4.26Å; F46-L51 HydrophobicContact CB-CD1 4.28Å; F46-L51 HydrophobicContact CB-CD2 3.88Å; F46-L51 HydrophobicContact CB-CG 4.38Å; F46-L51 HydrophobicContact CD1-CB 3.93Å; F46-L51 HydrophobicContact CD1-CD2 3.78Å; F46-L51 HydrophobicContact CD1-CG 4.49Å; F46-L51 HydrophobicContact CD2-CB 3.7Å; F46-L51 HydrophobicContact CE1-CB 4.08Å; F46-L51 HydrophobicContact CE1-CD2 4.44Å; F46-L51 HydrophobicContact CE2-CB 3.87Å; F46-L51 HydrophobicContact CG-CB 3.72Å; F46-L51 HydrophobicContact CG-CD2 3.91Å; F46-L51 HydrophobicContact CG-CG 4.31Å; F46-L51 HydrophobicContact CZ-CB 4.03Å; F46-V62 HydrophobicContact CE1-CB 4.3Å; F46-V62 HydrophobicContact CE1-CG1 3.98Å; F46-V62 HydrophobicContact CZ-CB 4.37Å; F46-V62 HydrophobicContact CZ-CG1 4.14Å; F46-K64 HydrophobicContact CE1-CG 4.49Å; F46-K64 HydrophobicContact CE2-CD 4.17Å; F46-K64 HydrophobicContact CE2-CG 4.07Å; F46-K64 HydrophobicContact CZ-CD 4.2Å; F46-K64 HydrophobicContact CZ-CG 3.71Å; F46-K64 PolarHBondContact O-NZ 3.26Å
47L80.3Confident85.2Confident177 Ų17762.9 Ų62.993%0.92736%0.356SS*.SBendtrans-88.8142172.6-65.5169.3000108.9
48G83.5Confident85.3Confident44 Ų4462.5 Ų62.545%0.45435%0.354SS..SBendtrans92.7-176.6-174.500000114.3K64G48-K64 WeakPolarHBondContact O-CD 3.23Å; G48-K64 WeakPolarHBondContact O-CE 3.4Å; G48-K64 PolarHBondContact O-NZ 3.16Å
49D83.5Confident85.5Confident121 Ų12162.3 Ų62.365%0.64736%0.355SS*.SBendtrans-92.6-22.6-173.1-61.6-32.3000112.9W63 K64D49-W63 CarbonylContact O-C 3.56Å; D49-W63 WeakPolarHBondContact O-CA 3.21Å; D49-K64 PolarHBondContact O-N 2.96Å
50T86.8Confident85.8Confident80 Ų8059.2 Ų59.249%0.49133%0.333SS..EExtended strand (participates in β ladder)trans-136.2142.6-176.262.60000112.2V62 W63T50-V62 CarbonylContact C-O 3.59Å; T50-V62 WeakPolarHBondContact CA-O 3.47Å; T50-W63 HydrophobicContact CG2-CG 3.96Å
51L89.2Confident86Confident27 Ų2757.7 Ų57.714%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-134.4120.3172.1179.371.2000109.5M1 V44 F46 F53 T61 V62M1-L51 HydrophobicContact CE-CD1 4Å; M1-L51 HydrophobicContact CE-CD2 4.4Å; V44-L51 HydrophobicContact CG1-CD2 3.84Å; V44-L51 HydrophobicContact CG2-CD2 4.03Å; F46-L51 HydrophobicContact CB-CB 4.26Å; F46-L51 HydrophobicContact CB-CD1 4.28Å; F46-L51 HydrophobicContact CB-CD2 3.88Å; F46-L51 HydrophobicContact CB-CG 4.38Å; F46-L51 HydrophobicContact CD1-CB 3.93Å; F46-L51 HydrophobicContact CD1-CD2 3.78Å; F46-L51 HydrophobicContact CD1-CG 4.49Å; F46-L51 HydrophobicContact CD2-CB 3.7Å; F46-L51 HydrophobicContact CE1-CB 4.08Å; F46-L51 HydrophobicContact CE1-CD2 4.44Å; F46-L51 HydrophobicContact CE2-CB 3.87Å; F46-L51 HydrophobicContact CG-CB 3.72Å; F46-L51 HydrophobicContact CG-CD2 3.91Å; F46-L51 HydrophobicContact CG-CG 4.31Å; F46-L51 HydrophobicContact CZ-CB 4.03Å; L51-F53 HydrophobicContact CD2-CE2 3.44Å; L51-F53 VanDerWaalsContact CD2-CE2 3.44Å; L51-F53 HydrophobicContact CD2-CZ 3.48Å; L51-F53 VanDerWaalsContact CD2-CZ 3.48Å; L51-F53 HydrophobicContact CG-CD2 4.48Å; L51-F53 HydrophobicContact CG-CE2 3.81Å; L51-F53 HydrophobicContact CG-CZ 4.07Å; L51-T61 CarbonylContact O-C 3.56Å; L51-T61 WeakPolarHBondContact O-CA 3.33Å; L51-V62 PolarHBondContact N-O 2.99Å; L51-V62 PolarHBondContact O-N 3.46Å
52S88.9Confident86.2Confident62 Ų6257.7 Ų57.743%0.43433%0.329SS..EExtended strand (participates in β ladder)trans-105.5145.9173.156.30000111.6A60S52-A60 CarbonylContact C-O 3.5Å; S52-A60 WeakPolarHBondContact CA-O 3.48Å
53F88.4Confident86.4Confident18 Ų1858.9 Ų58.98%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-121.8117.8167.5-62.1-90000107.3L4 L8 L41 V44 L51 N59 A60L4-F53 HydrophobicContact CD2-CD2 4.36Å; L4-F53 HydrophobicContact CD2-CE1 4.33Å; L4-F53 HydrophobicContact CD2-CE2 3.63Å; L4-F53 HydrophobicContact CD2-CZ 3.62Å; L4-F53 HydrophobicContact CG-CE2 4.49Å; L4-F53 HydrophobicContact CG-CZ 4.29Å; L8-F53 HydrophobicContact CD1-CB 3.44Å; L8-F53 VanDerWaalsContact CD1-CB 3.44Å; L8-F53 HydrophobicContact CD1-CD1 3.96Å; L8-F53 HydrophobicContact CD1-CD2 4.18Å; L8-F53 HydrophobicContact CD1-CG 3.61Å; L41-F53 HydrophobicContact CD2-CD2 4.07Å; L41-F53 HydrophobicContact CD2-CE2 4.11Å; V44-F53 HydrophobicContact CG2-CZ 4.36Å; L51-F53 HydrophobicContact CD2-CE2 3.44Å; L51-F53 VanDerWaalsContact CD2-CE2 3.44Å; L51-F53 HydrophobicContact CD2-CZ 3.48Å; L51-F53 VanDerWaalsContact CD2-CZ 3.48Å; L51-F53 HydrophobicContact CG-CD2 4.48Å; L51-F53 HydrophobicContact CG-CE2 3.81Å; L51-F53 HydrophobicContact CG-CZ 4.07Å; F53-N59 CarbonylContact O-C 3.56Å; F53-N59 VanDerWaalsContact O-CA 3.31Å; F53-N59 WeakPolarHBondContact O-CA 3.4Å; F53-A60 PolarHBondContact N-O 3.49Å; F53-A60 PolarHBondContact O-N 2.81Å
54E86.1Confident86.4Confident123 Ų12357.4 Ų57.458%0.57531%0.313SS*.EExtended strand (participates in β ladder)trans-110.1120.4-178.6-67.9169.9-16700109.1N59E54-N59 VanDerWaalsContact CA-OD1 3.3Å; E54-N59 WeakPolarHBondContact CA-OD1 3.42Å
55E86.3Confident86.1Confident30 Ų3057.8 Ų57.814%0.1432%0.315CS..EExtended strand (participates in β ladder)trans-138.4150.3175.3-60.1-70.1165.100108.4L8 Q9 R57 V58 N59L8-E55 HydrophobicContact CB-CG 4.07Å; Q9-E55 HydrophobicContact CG-CG 4.36Å; Q9-E55 VanDerWaalsContact CG-OE1 3.26Å; Q9-E55 WeakPolarHBondContact CG-OE1 3.39Å; Q9-E55 WeakPolarHBondContact CG-OE2 3.35Å; Q9-E55 PolarHBondContact NE2-OE1 2.99Å; E55-R57 PolarHBondContact O-N 3.03Å; E55-V58 WeakPolarHBondContact CB-O 3.38Å; E55-V58 PolarHBondContact N-O 3.37Å; E55-V58 VanDerWaalsContact N-O 3.13Å; E55-V58 CarbonylContact O-C 3.52Å; E55-V58 PolarHBondContact O-N 3.3Å; E55-V58 VanDerWaalsContact O-O 3.09Å; E55-N59 PolarHBondContact N-OD1 3.11Å; E55-N59 VanDerWaalsContact N-OD1 3.11Å; E55-N59 PolarHBondContact O-OD1 3.23Å; E55-N59 VanDerWaalsContact O-OD1 3.11Å
56D82.7Confident85.6Confident122 Ų12256.6 Ų56.665%0.65231%0.305SS*.THydrogen-bonded Turntrans-46.8-34.6-167.5-59.2-15.8000116.7Q16Q16-D56 PolarHBondContact NE2-OD2 3.4Å
57R84.8Confident84.6Confident92 Ų9260.7 Ų60.735%0.34733%0.334SS..THydrogen-bonded Turntrans-118.3-2.6-177.1-62.1-63.4-178160.6-4113.9S12 L15 Q16 E55 S119S12-R57 PolarHBondContact OG-N 3.13Å; L15-R57 HydrophobicContact CB-CB 3.79Å; L15-R57 HydrophobicContact CB-CG 4.18Å; L15-R57 HydrophobicContact CD1-CB 4Å; Q16-R57 HydrophobicContact CG-CG 3.66Å; E55-R57 PolarHBondContact O-N 3.03Å; R57-S119 WeakPolarHBondContact CD-O 3.31Å; R57-S119 PolarHBondContact NH1-O 3.47Å; R57-S119 PolarHBondContact O-N 2.9Å
58V88.1Confident83.9Confident0 Ų056.3 Ų56.30%032%0.315CS..EExtended strand (participates in β ladder)trans-150.9120.2-176.1119.60000110.5L8 L11 L15 E55 D117 F118L8-V58 HydrophobicContact CB-CG1 4.36Å; L8-V58 HydrophobicContact CD2-CG1 3.35Å; L8-V58 HydrophobicContact CG-CG1 4.46Å; L11-V58 HydrophobicContact CD2-CG2 4.46Å; L15-V58 HydrophobicContact CD1-CB 4.42Å; L15-V58 HydrophobicContact CD1-CG2 4.03Å; E55-V58 WeakPolarHBondContact CB-O 3.38Å; E55-V58 PolarHBondContact N-O 3.37Å; E55-V58 VanDerWaalsContact N-O 3.13Å; E55-V58 CarbonylContact O-C 3.52Å; E55-V58 PolarHBondContact O-N 3.3Å; E55-V58 VanDerWaalsContact O-O 3.09Å; V58-D117 CarbonylContact C-O 3.57Å; V58-D117 VanDerWaalsContact CA-O 3.31Å; V58-D117 WeakPolarHBondContact CA-O 3.34Å; V58-F118 HydrophobicContact CG2-CB 4.42Å; V58-F118 HydrophobicContact CG2-CD1 3.13Å; V58-F118 HydrophobicContact CG2-CE1 3.3Å; V58-F118 HydrophobicContact CG2-CG 3.79Å; V58-F118 HydrophobicContact CG2-CZ 4.09Å
59N90Very high82.9Confident46 Ų4655.2 Ų55.225%0.24630%0.301CS..EExtended strand (participates in β ladder)trans-116.6126.5175.5-68.8-17.8000108.6F53 E54 E55 V116 D117F53-N59 CarbonylContact O-C 3.56Å; F53-N59 VanDerWaalsContact O-CA 3.31Å; F53-N59 WeakPolarHBondContact O-CA 3.4Å; E54-N59 VanDerWaalsContact CA-OD1 3.3Å; E54-N59 WeakPolarHBondContact CA-OD1 3.42Å; E55-N59 PolarHBondContact N-OD1 3.11Å; E55-N59 VanDerWaalsContact N-OD1 3.11Å; E55-N59 PolarHBondContact O-OD1 3.23Å; E55-N59 VanDerWaalsContact O-OD1 3.11Å; N59-V116 CarbonylContact O-C 3.57Å; N59-V116 WeakPolarHBondContact O-CA 3.29Å; N59-D117 HydrophobicContact CB-CB 4.24Å; N59-D117 PolarHBondContact N-O 3.31Å; N59-D117 PolarHBondContact O-N 3.41Å
60A91Very high82Confident0 Ų049.8 Ų49.80%027%0.274CS..EExtended strand (participates in β ladder)trans-127.1123.9-178.700000110.4L8 L41 S52 F53 V116L8-A60 HydrophobicContact CD2-CB 4.35Å; L41-A60 HydrophobicContact CD1-CB 3.97Å; L41-A60 HydrophobicContact CD2-CB 3.85Å; S52-A60 CarbonylContact C-O 3.5Å; S52-A60 WeakPolarHBondContact CA-O 3.48Å; F53-A60 PolarHBondContact N-O 3.49Å; F53-A60 PolarHBondContact O-N 2.81Å; A60-V116 HydrophobicContact CB-CG1 4.36Å; A60-V116 HydrophobicContact CB-CG2 4.27Å
61T90.5Very high80.8Confident32 Ų3251.6 Ų51.620%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-121.8134.4179.3-53.50000110.2L51 W63 V115L51-T61 CarbonylContact O-C 3.56Å; L51-T61 WeakPolarHBondContact O-CA 3.33Å; T61-W63 HydrophobicContact CG2-CD2 4.03Å; T61-W63 HydrophobicContact CG2-CE3 3.87Å; T61-W63 HydrophobicContact CG2-CH2 3.24Å; T61-W63 HydrophobicContact CG2-CZ2 3.39Å; T61-W63 HydrophobicContact CG2-CZ3 3.46Å; T61-W63 VanDerWaalsContact CG2-CZ3 3.46Å; T61-W63 WeakPolarHBondContact O-CZ3 3.49Å; T61-V115 PolarHBondContact N-O 3.3Å; T61-V115 PolarHBondContact O-N 2.94Å
62V90.1Very high80.3Confident0 Ų057.7 Ų57.70%031%0.307CS..EExtended strand (participates in β ladder)trans-118.5122.1-179.3-173.70000108.6L41 F46 T50 L51 R112 L113L41-V62 HydrophobicContact CB-CG2 3.97Å; L41-V62 HydrophobicContact CD2-CG2 3.57Å; L41-V62 HydrophobicContact CG-CG2 4.34Å; F46-V62 HydrophobicContact CE1-CB 4.3Å; F46-V62 HydrophobicContact CE1-CG1 3.98Å; F46-V62 HydrophobicContact CZ-CB 4.37Å; F46-V62 HydrophobicContact CZ-CG1 4.14Å; T50-V62 CarbonylContact C-O 3.59Å; T50-V62 WeakPolarHBondContact CA-O 3.47Å; L51-V62 PolarHBondContact N-O 2.99Å; L51-V62 PolarHBondContact O-N 3.46Å; V62-R112 HydrophobicContact CG1-CB 4.2Å; V62-R112 HydrophobicContact CG1-CG 4.5Å; V62-L113 WeakPolarHBondContact CA-O 3.47Å
63W87.5Confident80Confident45 Ų4558.1 Ų58.117%0.1731%0.305CS..EExtended strand (participates in β ladder)trans-106.1135.8173.8-65.8-106.9000109.9D49 T50 T61 I76 R112 L113 V115D49-W63 CarbonylContact O-C 3.56Å; D49-W63 WeakPolarHBondContact O-CA 3.21Å; T50-W63 HydrophobicContact CG2-CG 3.96Å; T61-W63 HydrophobicContact CG2-CD2 4.03Å; T61-W63 HydrophobicContact CG2-CE3 3.87Å; T61-W63 HydrophobicContact CG2-CH2 3.24Å; T61-W63 HydrophobicContact CG2-CZ2 3.39Å; T61-W63 HydrophobicContact CG2-CZ3 3.46Å; T61-W63 VanDerWaalsContact CG2-CZ3 3.46Å; T61-W63 WeakPolarHBondContact O-CZ3 3.49Å; W63-I76 HydrophobicContact CH2-CD1 3.9Å; W63-I76 HydrophobicContact CH2-CG2 4.32Å; W63-I76 HydrophobicContact CZ2-CD1 3.76Å; W63-I76 HydrophobicContact CZ2-CG1 4.24Å; W63-I76 HydrophobicContact CZ2-CG2 4.05Å; W63-I76 HydrophobicContact CZ3-CD1 4.43Å; W63-R112 CarbonylContact O-C 3.59Å; W63-R112 WeakPolarHBondContact O-CA 3.35Å; W63-L113 HydrophobicContact CB-CB 4.28Å; W63-L113 HydrophobicContact CE3-CD2 4.29Å; W63-L113 HydrophobicContact CE3-CG 4.32Å; W63-L113 PolarHBondContact N-O 2.78Å; W63-L113 PolarHBondContact O-N 3.27Å; W63-V115 HydrophobicContact CE3-CG2 4.17Å; W63-V115 HydrophobicContact CH2-CB 3.73Å; W63-V115 HydrophobicContact CH2-CG2 3.71Å; W63-V115 HydrophobicContact CZ3-CB 3.42Å; W63-V115 VanDerWaalsContact CZ3-CB 3.42Å; W63-V115 HydrophobicContact CZ3-CG2 3.31Å
64K84.7Confident79.8Confident61 Ų6159.7 Ų59.727%0.26531%0.314SS..EExtended strand (participates in β ladder)trans-82.2119.9162.4-65.8178.7-170.51570107.8F46 G48 D49 P66F46-K64 HydrophobicContact CE1-CG 4.49Å; F46-K64 HydrophobicContact CE2-CD 4.17Å; F46-K64 HydrophobicContact CE2-CG 4.07Å; F46-K64 HydrophobicContact CZ-CD 4.2Å; F46-K64 HydrophobicContact CZ-CG 3.71Å; F46-K64 PolarHBondContact O-NZ 3.26Å; G48-K64 WeakPolarHBondContact O-CD 3.23Å; G48-K64 WeakPolarHBondContact O-CE 3.4Å; G48-K64 PolarHBondContact O-NZ 3.16Å; D49-K64 PolarHBondContact O-N 2.96Å; K64-P66 VanDerWaalsContact O-CD 3.27Å; K64-P66 WeakPolarHBondContact O-CD 3.47Å
65L78.2Confident79.9Confident16 Ų1660.6 Ų60.68%0.08432%0.318CS..PPolyproline II helixtrans-82.6116.1178.5-63.7167.1000108.7A69 F99 K111 L113L65-A69 HydrophobicContact CB-CB 4.11Å; L65-A69 HydrophobicContact CD2-CB 4.16Å; L65-F99 HydrophobicContact CD1-CD1 3.75Å; L65-F99 HydrophobicContact CD1-CE1 3.8Å; L65-F99 HydrophobicContact CD2-CD1 3.9Å; L65-F99 HydrophobicContact CD2-CE1 3.39Å; L65-F99 HydrophobicContact CD2-CZ 4.06Å; L65-F99 HydrophobicContact CG-CD1 4.43Å; L65-F99 HydrophobicContact CG-CE1 4.24Å; L65-K111 VanDerWaalsContact CB-O 3.3Å; L65-K111 WeakPolarHBondContact CB-O 3.33Å; L65-K111 HydrophobicContact CD1-CB 4.25Å; L65-K111 PolarHBondContact N-O 3.42Å; L65-L113 HydrophobicContact CD1-CB 4.11Å; L65-L113 HydrophobicContact CD2-CB 4.12Å; L65-L113 HydrophobicContact CG-CB 4.16Å
66P70.7Confident79.9Confident71 Ų7160.3 Ų60.346%0.46132%0.317SS..PPolyproline II helixtrans-64.8158.6172.926.7-33.5000110.4K64 T68 A69K64-P66 VanDerWaalsContact O-CD 3.27Å; K64-P66 WeakPolarHBondContact O-CD 3.47Å; P66-T68 PolarHBondContact O-N 3.39Å; P66-A69 HydrophobicContact CG-CB 4.34Å; P66-A69 WeakPolarHBondContact O-CB 3.34Å; P66-A69 PolarHBondContact O-N 3.36Å
67P64.8Low80.2Confident108 Ų10860.3 Ų60.370%0.70131%0.313SS*.THydrogen-bonded Turntrans-57-23.3179.2-23.332.8000114
68T65.6Low80.2Confident85 Ų8557 Ų5752%0.52130%0.304SS..THydrogen-bonded Turntrans-82.1-8.2177.247.80000114.2P66 G70 L71P66-T68 PolarHBondContact O-N 3.39Å; T68-G70 PolarHBondContact O-N 3.03Å; T68-L71 HydrophobicContact CG2-CD1 4.05Å; T68-L71 WeakPolarHBondContact O-CB 3.5Å; T68-L71 WeakPolarHBondContact O-CG 3.36Å; T68-L71 PolarHBondContact O-N 3.46Å
69A62.9Low79.7Confident20 Ų2064.4 Ų64.417%0.16534%0.338CS..THydrogen-bonded Turntrans-57.6-19-175.900000114.3L65 P66 L71 F99L65-A69 HydrophobicContact CB-CB 4.11Å; L65-A69 HydrophobicContact CD2-CB 4.16Å; P66-A69 HydrophobicContact CG-CB 4.34Å; P66-A69 WeakPolarHBondContact O-CB 3.34Å; P66-A69 PolarHBondContact O-N 3.36Å; A69-L71 VanDerWaalsContact C-N 3.26Å; A69-L71 PolarHBondContact O-N 3.27Å; A69-F99 HydrophobicContact CB-CG 4.32Å; A69-F99 WeakPolarHBondContact O-CD2 3.28Å
70G64.5Low78.9Confident8 Ų869.3 Ų69.38%0.08236%0.357CS..THydrogen-bonded Turntrans-79.1617400000116.2T68T68-G70 PolarHBondContact O-N 3.03Å
71L62Low78Confident117 Ų11771.8 Ų71.861%0.61337%0.369SS*.SBendtrans-93.5-29.9-177.9-69.2167.5000113.5T68 A69T68-L71 HydrophobicContact CG2-CD1 4.05Å; T68-L71 WeakPolarHBondContact O-CB 3.5Å; T68-L71 WeakPolarHBondContact O-CG 3.36Å; T68-L71 PolarHBondContact O-N 3.46Å; A69-L71 VanDerWaalsContact C-N 3.26Å; A69-L71 PolarHBondContact O-N 3.27Å
72E79Confident76.7Confident155 Ų15577.9 Ų77.972%0.72440%0.395SS*.SBendtrans-136.5160.6-173.2-67-177.7173.900111.2
73D82.5Confident75.2Confident72 Ų7285.5 Ų85.539%0.38543%0.431SS..PPolyproline II helixtrans-78.4140175-62-19.2000109.6L93 L94 P95 R96D73-L93 HydrophobicContact CB-CD1 4.01Å; D73-L94 WeakPolarHBondContact CA-O 3.47Å; D73-P95 VanDerWaalsContact OD1-CA 3.31Å; D73-P95 WeakPolarHBondContact OD1-CA 3.47Å; D73-R96 PolarHBondContact OD1-N 2.92Å
74L84.9Confident73.9Confident51 Ų5191.8 Ų91.827%0.26746%0.462SS..EExtended strand (participates in β ladder)trans-97.3118.2180-178.967.3000109.9I76 L94 F99 L113L74-I76 HydrophobicContact CD2-CD1 4.09Å; L74-I76 HydrophobicContact CD2-CG1 4.38Å; L74-I76 HydrophobicContact CG-CD1 4.4Å; L74-I76 HydrophobicContact CG-CG1 4.18Å; L74-L94 HydrophobicContact CB-CB 4.22Å; L74-L94 HydrophobicContact CD2-CD1 4.17Å; L74-L94 PolarHBondContact N-O 3.16Å; L74-L94 PolarHBondContact O-N 3.32Å; L74-F99 HydrophobicContact CB-CE2 3.9Å; L74-F99 HydrophobicContact CB-CZ 3.89Å; L74-F99 HydrophobicContact CD2-CZ 3.94Å; L74-L113 HydrophobicContact CD2-CD2 3.63Å
75H87.4Confident73.1Confident142 Ų14290.2 Ų90.266%0.65746%0.459SS*.EExtended strand (participates in β ladder)trans-100.2124.9175.3-66.6-112.8000110.4L92 L93H75-L92 CarbonylContact C-O 3.47Å; H75-L92 WeakPolarHBondContact CA-O 3.44Å; H75-L93 WeakPolarHBondContact CE1-CD1 3.38Å; H75-L93 WeakPolarHBondContact NE2-CD1 3.28Å
76I86.2Confident73Confident23 Ų2392.2 Ų92.212%0.11847%0.468CS..EExtended strand (participates in β ladder)trans-121.4134.2176-57.1169000108.1W63 L74 S91 L92 L94 L113 V115W63-I76 HydrophobicContact CH2-CD1 3.9Å; W63-I76 HydrophobicContact CH2-CG2 4.32Å; W63-I76 HydrophobicContact CZ2-CD1 3.76Å; W63-I76 HydrophobicContact CZ2-CG1 4.24Å; W63-I76 HydrophobicContact CZ2-CG2 4.05Å; W63-I76 HydrophobicContact CZ3-CD1 4.43Å; L74-I76 HydrophobicContact CD2-CD1 4.09Å; L74-I76 HydrophobicContact CD2-CG1 4.38Å; L74-I76 HydrophobicContact CG-CD1 4.4Å; L74-I76 HydrophobicContact CG-CG1 4.18Å; I76-S91 CarbonylContact O-C 3.49Å; I76-S91 VanDerWaalsContact O-CA 3.29Å; I76-S91 WeakPolarHBondContact O-CA 3.29Å; I76-L92 HydrophobicContact CB-CB 4.21Å; I76-L92 HydrophobicContact CB-CD1 4.48Å; I76-L92 PolarHBondContact N-O 2.91Å; I76-L92 PolarHBondContact O-N 3.46Å; I76-L94 HydrophobicContact CD1-CD1 4.12Å; I76-L113 HydrophobicContact CD1-CD2 4.25Å; I76-V115 HydrophobicContact CD1-CG2 4.08Å
77H88Confident73.5Confident123 Ų12389 Ų8957%0.56945%0.447SS*.EExtended strand (participates in β ladder)trans-123.6134.1175.7-147.180.5000109.1S91H77-S91 VanDerWaalsContact ND1-CB 3.29Å; H77-S91 WeakPolarHBondContact ND1-CB 3.43Å
78S85Confident74.5Confident21 Ų2186.2 Ų86.215%0.14742%0.424CS..PPolyproline II helixtrans-75159.3173.682.40000110.7A89 Y90S78-A89 WeakPolarHBondContact OG-CA 3.4Å; S78-Y90 VanDerWaalsContact CB-CD1 3.43Å; S78-Y90 PolarHBondContact N-O 3.44Å; S78-Y90 PolarHBondContact OG-N 3.38Å; S78-Y90 PolarHBondContact OG-O 3.49Å
79Q78.8Confident75.6Confident157 Ų15782.3 Ų82.373%0.73440%0.401SS*.PPolyproline II helixtrans-66.3153162.5-68.2-174.5-15.300109.6E81Q79-E81 PolarHBondContact O-N 2.86Å
80K73.5Confident76.9Confident148 Ų14882.6 Ų82.664%0.64340%0.398SS*.PPolyproline II helixtrans-74.3122.1176.4-167.6177.2-178-176.60108.7Q88K80-Q88 CarbonylContact C-O 3.58Å; K80-Q88 WeakPolarHBondContact CA-O 3.28Å
81E71.3Confident78.3Confident52 Ų5283.6 Ų83.624%0.24340%0.404CS..PPolyproline II helixtrans-72.4165.7174.1-67.6-170172.800111.4Q79 S85 Q88 K136Q79-E81 PolarHBondContact O-N 2.86Å; E81-S85 WeakPolarHBondContact OE2-CB 3.28Å; E81-S85 PolarHBondContact OE2-OG 2.83Å; E81-Q88 PolarHBondContact N-O 2.95Å; E81-K136 IonicContact OE1-NZ 3.31Å; E81-K136 PolarHBondContact OE1-NZ 3.1Å
82E64.2Low79.7Confident160 Ų16078.2 Ų78.275%0.74838%0.375SS*.PPolyproline II helixtrans-52.8148.1176.9-67.3-176.6168.800111.7Q84 S85E82-Q84 PolarHBondContact O-N 3.08Å; E82-S85 PolarHBondContact O-N 3.45Å
83E57.9Low80.3Confident161 Ų16173.1 Ų73.175%0.75235%0.353SS*.THydrogen-bonded Turntrans-56.6-18.2-175.5-72.1-173.5153.200114.4Q161E83-Q161 PolarHBondContact O-NE2 3.03Å
84Q59.5Low80.7Confident176 Ų17669.7 Ų69.782%0.82234%0.335SS*.THydrogen-bonded Turntrans-83.4-12.7178.8-64.2-176.10.800114.1E82E82-Q84 PolarHBondContact O-N 3.08Å
85S68.6Low80.9Confident29 Ų2967.5 Ų67.520%0.20332%0.324CS..  trans-73.6134.4177.4-162.30000110.6E81 E82 V87E81-S85 WeakPolarHBondContact OE2-CB 3.28Å; E81-S85 PolarHBondContact OE2-OG 2.83Å; E82-S85 PolarHBondContact O-N 3.45Å; S85-V87 VanDerWaalsContact C-N 3.27Å; S85-V87 WeakPolarHBondContact CB-O 3.35Å; S85-V87 PolarHBondContact O-N 3.32Å; S85-V87 PolarHBondContact OG-O 3.48Å; S85-V87 VanDerWaalsContact OG-O 3.05Å
86E76.9Confident80.8Confident58 Ų5866.7 Ų66.727%0.27132%0.315SS..SBendtrans-65.4-35.3179.5-168.7177.6-160.100111.2L133 G134 H160 Q161 Q163E86-L133 HydrophobicContact CG-CD1 4.1Å; E86-G134 WeakPolarHBondContact OE2-CA 3.28Å; E86-G134 PolarHBondContact OE2-N 3.41Å; E86-H160 WeakPolarHBondContact O-CA 3.26Å; E86-H160 VanDerWaalsContact O-CB 3.26Å; E86-H160 WeakPolarHBondContact O-CB 2.9Å; E86-Q161 PolarHBondContact O-N 3.42Å; E86-Q161 VanDerWaalsContact O-N 3.12Å; E86-Q163 PolarHBondContact OE1-NE2 3.39Å
87V81.2Confident80.7Confident2 Ų266 Ų661%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-103112.5168.9177.20000108.1S85 L133 K136 F158 Q159S85-V87 VanDerWaalsContact C-N 3.27Å; S85-V87 WeakPolarHBondContact CB-O 3.35Å; S85-V87 PolarHBondContact O-N 3.32Å; S85-V87 PolarHBondContact OG-O 3.48Å; S85-V87 VanDerWaalsContact OG-O 3.05Å; V87-L133 HydrophobicContact CG2-CD2 4.12Å; V87-L133 HydrophobicContact CG2-CG 3.84Å; V87-K136 HydrophobicContact CB-CB 4.42Å; V87-K136 HydrophobicContact CG1-CG 4.33Å; V87-K136 HydrophobicContact CG2-CB 4.2Å; V87-F158 HydrophobicContact CG1-CB 4.44Å; V87-F158 HydrophobicContact CG1-CD1 4.12Å; V87-Q159 CarbonylContact C-O 3.48Å; V87-Q159 WeakPolarHBondContact CA-O 3.47Å
88Q84.2Confident80.5Confident50 Ų5060.1 Ų60.123%0.23429%0.286CS..EExtended strand (participates in β ladder)trans-84.1-31.8-174.3-64.1179.9-14.200112.9K80 E81 Q159K80-Q88 CarbonylContact C-O 3.58Å; K80-Q88 WeakPolarHBondContact CA-O 3.28Å; E81-Q88 PolarHBondContact N-O 2.95Å; Q88-Q159 PolarHBondContact N-O 3.34Å
89A89.5Confident80.2Confident4 Ų459.6 Ų59.63%0.03328%0.28CS..EExtended strand (participates in β ladder)trans-163.3163.4179.400000110.4S78 Q159S78-A89 WeakPolarHBondContact OG-CA 3.4Å; A89-Q159 HydrophobicContact CB-CB 4.37Å; A89-Q159 PolarHBondContact O-N 3.28Å
90Y90.7Very high80.1Confident25 Ų2556.9 Ų56.910%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-133153.9168.365.6-90.9000112S78 L92 D117 L138 T157S78-Y90 VanDerWaalsContact CB-CD1 3.43Å; S78-Y90 PolarHBondContact N-O 3.44Å; S78-Y90 PolarHBondContact OG-N 3.38Å; S78-Y90 PolarHBondContact OG-O 3.49Å; Y90-L92 HydrophobicContact CD2-CD1 4.39Å; Y90-L92 HydrophobicContact CD2-CD2 4.32Å; Y90-L92 HydrophobicContact CD2-CG 4.11Å; Y90-L92 HydrophobicContact CE2-CD1 4.15Å; Y90-L92 HydrophobicContact CE2-CG 4.35Å; Y90-D117 HydrophobicContact CE1-CB 4.33Å; Y90-D117 WeakPolarHBondContact CE1-OD2 3.5Å; Y90-L138 HydrophobicContact CD2-CD1 4.37Å; Y90-L138 HydrophobicContact CD2-CD2 3.87Å; Y90-L138 HydrophobicContact CE2-CD1 3.84Å; Y90-L138 HydrophobicContact CE2-CD2 4.07Å; Y90-T157 CarbonylContact C-O 3.52Å; Y90-T157 WeakPolarHBondContact CA-O 3.13Å
91S92.3Very high80.1Confident29 Ų2954.1 Ų54.120%0.20326%0.257CS..EExtended strand (participates in β ladder)trans-130.2147.117273.50000111.3I76 H77 L156 T157I76-S91 CarbonylContact O-C 3.49Å; I76-S91 VanDerWaalsContact O-CA 3.29Å; I76-S91 WeakPolarHBondContact O-CA 3.29Å; H77-S91 VanDerWaalsContact ND1-CB 3.29Å; H77-S91 WeakPolarHBondContact ND1-CB 3.43Å; S91-L156 CarbonylContact O-C 3.54Å; S91-L156 WeakPolarHBondContact O-CA 3.49Å; S91-T157 PolarHBondContact N-O 2.92Å; S91-T157 PolarHBondContact O-N 3.23Å; S91-T157 WeakPolarHBondContact OG-CB 3.44Å
92L91.7Very high80Confident4 Ų452 Ų522%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-126.6130.7-179.1-50.6173.2000109.8H75 I76 Y90 V115 L138 I140 V155 L156H75-L92 CarbonylContact C-O 3.47Å; H75-L92 WeakPolarHBondContact CA-O 3.44Å; I76-L92 HydrophobicContact CB-CB 4.21Å; I76-L92 HydrophobicContact CB-CD1 4.48Å; I76-L92 PolarHBondContact N-O 2.91Å; I76-L92 PolarHBondContact O-N 3.46Å; Y90-L92 HydrophobicContact CD2-CD1 4.39Å; Y90-L92 HydrophobicContact CD2-CD2 4.32Å; Y90-L92 HydrophobicContact CD2-CG 4.11Å; Y90-L92 HydrophobicContact CE2-CD1 4.15Å; Y90-L92 HydrophobicContact CE2-CG 4.35Å; L92-V115 HydrophobicContact CD1-CG1 3.76Å; L92-V115 HydrophobicContact CD1-CG2 4.3Å; L92-L138 HydrophobicContact CD1-CD2 3.72Å; L92-L138 HydrophobicContact CD2-CD2 3.2Å; L92-L138 HydrophobicContact CG-CD2 3.93Å; L92-I140 HydrophobicContact CD1-CD1 4.03Å; L92-I140 HydrophobicContact CD1-CG1 4.4Å; L92-I140 HydrophobicContact CD2-CD1 4.1Å; L92-V155 CarbonylContact C-O 3.49Å; L92-V155 WeakPolarHBondContact CA-O 3.38Å; L92-L156 HydrophobicContact CD2-CB 3.84Å; L92-L156 HydrophobicContact CD2-CD2 3.69Å; L92-L156 HydrophobicContact CD2-CG 3.65Å
93L92.2Very high80Confident48 Ų4852.2 Ų52.225%0.25124%0.242SC..EExtended strand (participates in β ladder)trans-113.3107.7168.5-18066.5000107.9D73 H75 P95 V154 V155D73-L93 HydrophobicContact CB-CD1 4.01Å; H75-L93 WeakPolarHBondContact CE1-CD1 3.38Å; H75-L93 WeakPolarHBondContact NE2-CD1 3.28Å; L93-P95 WeakPolarHBondContact O-CD 3.48Å; L93-V154 WeakPolarHBondContact O-CA 3.46Å; L93-V155 HydrophobicContact CB-CB 3.96Å; L93-V155 HydrophobicContact CB-CG2 4.47Å; L93-V155 HydrophobicContact CD2-CB 4.3Å; L93-V155 HydrophobicContact CD2-CG2 4.03Å; L93-V155 PolarHBondContact N-O 3.2Å; L93-V155 PolarHBondContact O-N 3.1Å
94L90.2Very high80Confident0 Ų046.8 Ų46.80%023%0.229CC..EExtended strand (participates in β ladder)trans-98.8108.1175.2-69.7161.6000108.5D73 L74 I76 V98 F99 L113 I140 V154 L207D73-L94 WeakPolarHBondContact CA-O 3.47Å; L74-L94 HydrophobicContact CB-CB 4.22Å; L74-L94 HydrophobicContact CD2-CD1 4.17Å; L74-L94 PolarHBondContact N-O 3.16Å; L74-L94 PolarHBondContact O-N 3.32Å; I76-L94 HydrophobicContact CD1-CD1 4.12Å; L94-V98 HydrophobicContact CD2-CG2 4.45Å; L94-F99 HydrophobicContact CB-CE2 4.48Å; L94-F99 HydrophobicContact CB-CZ 4.25Å; L94-L113 HydrophobicContact CD1-CD1 4.19Å; L94-L113 HydrophobicContact CD1-CD2 3.51Å; L94-L113 HydrophobicContact CD1-CG 4.48Å; L94-I140 HydrophobicContact CD2-CD1 4.47Å; L94-I140 HydrophobicContact CD2-CG2 4.06Å; L94-V154 HydrophobicContact CD2-CG1 3.72Å; L94-V154 HydrophobicContact CD2-CG2 4.1Å; L94-L207 HydrophobicContact CD2-CD2 3.91Å
95P89.1Confident79.7Confident6 Ų651.1 Ų51.14%0.03924%0.238CC..  trans-67.9150.3-178.726.8-32.6000110.6D73 L93 A97 V98 D152 V154D73-P95 VanDerWaalsContact OD1-CA 3.31Å; D73-P95 WeakPolarHBondContact OD1-CA 3.47Å; L93-P95 WeakPolarHBondContact O-CD 3.48Å; P95-A97 PolarHBondContact O-N 3.46Å; P95-V98 HydrophobicContact CG-CG2 4.15Å; P95-V98 WeakPolarHBondContact O-CB 3.49Å; P95-V98 WeakPolarHBondContact O-CG2 3.4Å; P95-V98 PolarHBondContact O-N 2.87Å; P95-D152 HydrophobicContact CB-CB 3.85Å; P95-D152 HydrophobicContact CG-CB 4.11Å; P95-D152 VanDerWaalsContact CG-O 3.28Å; P95-D152 WeakPolarHBondContact CG-O 3.5Å; P95-V154 HydrophobicContact CG-CG2 4.46Å
96R85.5Confident79.1Confident124 Ų12459.2 Ų59.247%0.46826%0.264SS..Hα-helixtrans-49.4-27.8176.263.3-173.3179.4179.3-2.7114.2D73 V98 F99 Q100D73-R96 PolarHBondContact OD1-N 2.92Å; R96-V98 PolarHBondContact O-N 3.09Å; R96-F99 PolarHBondContact O-N 2.89Å; R96-Q100 WeakPolarHBondContact O-CG 3.3Å; R96-Q100 PolarHBondContact O-N 3.34Å
97A83.9Confident78.1Confident9 Ų967.8 Ų67.87%0.07429%0.294CS..Hα-helixtrans-56.3-33.2175.900000113.1P95 F99 Q100 Q101 L150 D152P95-A97 PolarHBondContact O-N 3.46Å; A97-F99 VanDerWaalsContact C-N 3.35Å; A97-F99 PolarHBondContact O-N 3.42Å; A97-Q100 PolarHBondContact O-N 3.44Å; A97-Q101 PolarHBondContact O-N 3.07Å; A97-Q101 VanDerWaalsContact O-N 3.09Å; A97-L150 HydrophobicContact CB-CD2 4.16Å; A97-D152 HydrophobicContact CB-CB 4.5Å
98V83.4Confident76.8Confident0 Ų074.8 Ų74.80%033%0.331CS..Hα-helixtrans-59.1-47.3174.3173.70000110.6L94 P95 R96 Q100 T102 V142 L150 V154 L207L94-V98 HydrophobicContact CD2-CG2 4.45Å; P95-V98 HydrophobicContact CG-CG2 4.15Å; P95-V98 WeakPolarHBondContact O-CB 3.49Å; P95-V98 WeakPolarHBondContact O-CG2 3.4Å; P95-V98 PolarHBondContact O-N 2.87Å; R96-V98 PolarHBondContact O-N 3.09Å; V98-Q100 VanDerWaalsContact C-N 3.33Å; V98-Q100 PolarHBondContact O-N 3.37Å; V98-T102 WeakPolarHBondContact O-CG2 3.37Å; V98-T102 PolarHBondContact O-N 2.66Å; V98-T102 PolarHBondContact O-OG1 3.07Å; V98-V142 HydrophobicContact CG1-CG2 4.21Å; V98-L150 HydrophobicContact CG2-CD1 3.71Å; V98-L150 HydrophobicContact CG2-CD2 4.17Å; V98-V154 HydrophobicContact CG2-CG2 3.9Å; V98-L207 HydrophobicContact CG1-CD1 3.72Å
99F80.1Confident75.6Confident9 Ų978 Ų784%0.03935%0.35CS..Hα-helixtrans-75.7-23.8-178-53-58000112.3L65 A69 L74 L94 R96 A97 T102L65-F99 HydrophobicContact CD1-CD1 3.75Å; L65-F99 HydrophobicContact CD1-CE1 3.8Å; L65-F99 HydrophobicContact CD2-CD1 3.9Å; L65-F99 HydrophobicContact CD2-CE1 3.39Å; L65-F99 HydrophobicContact CD2-CZ 4.06Å; L65-F99 HydrophobicContact CG-CD1 4.43Å; L65-F99 HydrophobicContact CG-CE1 4.24Å; A69-F99 HydrophobicContact CB-CG 4.32Å; A69-F99 WeakPolarHBondContact O-CD2 3.28Å; L74-F99 HydrophobicContact CB-CE2 3.9Å; L74-F99 HydrophobicContact CB-CZ 3.89Å; L74-F99 HydrophobicContact CD2-CZ 3.94Å; L94-F99 HydrophobicContact CB-CE2 4.48Å; L94-F99 HydrophobicContact CB-CZ 4.25Å; R96-F99 PolarHBondContact O-N 2.89Å; A97-F99 VanDerWaalsContact C-N 3.35Å; A97-F99 PolarHBondContact O-N 3.42Å; F99-T102 WeakPolarHBondContact CA-OG1 3.41Å; F99-T102 PolarHBondContact O-OG1 3.33Å
100Q77.2Confident74.6Confident101 Ų10180.9 Ų80.947%0.47237%0.374SS..Hα-helixtrans-72.4-44.1174-69.4177.45.200112.5R96 A97 V98 T102 R103R96-Q100 WeakPolarHBondContact O-CG 3.3Å; R96-Q100 PolarHBondContact O-N 3.34Å; A97-Q100 PolarHBondContact O-N 3.44Å; V98-Q100 VanDerWaalsContact C-N 3.33Å; V98-Q100 PolarHBondContact O-N 3.37Å; Q100-T102 PolarHBondContact O-N 2.94Å; Q100-R103 PolarHBondContact O-N 3.19Å
101Q73.2Confident74Confident90 Ų9082.1 Ų82.142%0.42138%0.379SS..Hα-helixtrans-62.9-22.7174.7-79-168.8-6.800112.7A97 T148A97-Q101 PolarHBondContact O-N 3.07Å; A97-Q101 VanDerWaalsContact O-N 3.09Å; Q101-T148 PolarHBondContact NE2-O 2.87Å; Q101-T148 VanDerWaalsContact NE2-O 3.07Å; Q101-T148 PolarHBondContact OE1-O 3.49Å
102T68.6Low73.7Confident8 Ų882.9 Ų82.95%0.04938%0.378CS..THydrogen-bonded Turntrans-90.3-2.5-178.964.60000113V98 F99 Q100 G104 K111 V142 T145 V147V98-T102 WeakPolarHBondContact O-CG2 3.37Å; V98-T102 PolarHBondContact O-N 2.66Å; V98-T102 PolarHBondContact O-OG1 3.07Å; F99-T102 WeakPolarHBondContact CA-OG1 3.41Å; F99-T102 PolarHBondContact O-OG1 3.33Å; Q100-T102 PolarHBondContact O-N 2.94Å; T102-G104 PolarHBondContact O-N 3.23Å; T102-K111 VanDerWaalsContact O-CD 3.24Å; T102-K111 WeakPolarHBondContact O-CD 3.33Å; T102-K111 WeakPolarHBondContact O-CE 3.29Å; T102-K111 PolarHBondContact O-NZ 3Å; T102-V142 HydrophobicContact CG2-CB 4.07Å; T102-V142 HydrophobicContact CG2-CG1 3.59Å; T102-V142 HydrophobicContact CG2-CG2 4.26Å; T102-T145 HydrophobicContact CG2-CG2 3.72Å; T102-V147 HydrophobicContact CG2-CG2 3.98Å
103R64.3Low73.5Confident164 Ų16482.7 Ų82.762%0.61938%0.377SS*.  trans-6799.2173-82.5-177.6169.6163.6-0.4111Q100Q100-R103 PolarHBondContact O-N 3.19Å
104G57.8Low73.4Confident46 Ų4680.5 Ų80.547%0.47437%0.366SS..  trans-72.7169.3175.900000113.1T102 R106T102-G104 PolarHBondContact O-N 3.23Å; G104-R106 PolarHBondContact O-N 2.9Å; G104-R106 VanDerWaalsContact O-N 3.09Å
105R53Low73.5Confident268 Ų26880.7 Ų80.7100%1.01137%0.367SS*.SBendtrans-61.8-16.1-176.6-146.6175.6-169.7176.12.4114.2
106R56.3Low73.6Confident198 Ų19880.7 Ų80.775%0.74737%0.366SS*.SBendtrans-107125.4171.5-96.9-178.7175.8175.4-1.3109.4G104 D108G104-R106 PolarHBondContact O-N 2.9Å; G104-R106 VanDerWaalsContact O-N 3.09Å; R106-D108 VanDerWaalsContact C-N 3.25Å; R106-D108 PolarHBondContact O-N 2.94Å
107R54.7Low73.9Confident238 Ų23875 Ų7590%0.89835%0.345SS*.THydrogen-bonded Turntrans-72.9-14.2-172.8-151.6175.9-136.3-1782.6114
108D53.9Low74.2Confident150 Ų15074.5 Ų74.580%0.80234%0.342SS*.THydrogen-bonded Turntrans-110.7-1.1-165.2-67.3-34000115.7R106 A110R106-D108 VanDerWaalsContact C-N 3.25Å; R106-D108 PolarHBondContact O-N 2.94Å; D108-A110 PolarHBondContact O-N 3.46Å
109D60.6Low74.4Confident117 Ų11775.4 Ų75.463%0.62635%0.348SS*.  trans-87102.9178.4-68.4-28.1000110.3K111D109-K111 PolarHBondContact O-N 3.03Å; D109-K111 VanDerWaalsContact O-N 3.11Å
110A66.9Low74.6Confident65 Ų6575.2 Ų75.254%0.53735%0.347SS..  trans-59.6111.9173.300000110.3D108D108-A110 PolarHBondContact O-N 3.46Å
111K78.7Confident75Confident50 Ų5072 Ų7222%0.21733%0.332CS..  trans-78.4157.3176.8-74.5-169169.6-171.20111.4L65 T102 D109 V142 T145L65-K111 VanDerWaalsContact CB-O 3.3Å; L65-K111 WeakPolarHBondContact CB-O 3.33Å; L65-K111 HydrophobicContact CD1-CB 4.25Å; L65-K111 PolarHBondContact N-O 3.42Å; T102-K111 VanDerWaalsContact O-CD 3.24Å; T102-K111 WeakPolarHBondContact O-CD 3.33Å; T102-K111 WeakPolarHBondContact O-CE 3.29Å; T102-K111 PolarHBondContact O-NZ 3Å; D109-K111 PolarHBondContact O-N 3.03Å; D109-K111 VanDerWaalsContact O-N 3.11Å; K111-V142 HydrophobicContact CD-CG1 4.36Å; K111-T145 PolarHBondContact NZ-OG1 3.16Å
112R85.7Confident75.5Confident46 Ų4668 Ų6817%0.17431%0.314CS..EExtended strand (participates in β ladder)trans-111.6134.8177.6-61.6172.6-177.4-158.3-6.8110.8T42 V44 V62 W63 Q143T42-R112 PolarHBondContact O-NH1 2.83Å; V44-R112 PolarHBondContact O-NH1 3.46Å; V44-R112 PolarHBondContact O-NH2 3.21Å; V62-R112 HydrophobicContact CG1-CB 4.2Å; V62-R112 HydrophobicContact CG1-CG 4.5Å; W63-R112 CarbonylContact O-C 3.59Å; W63-R112 WeakPolarHBondContact O-CA 3.35Å; R112-Q143 HydrophobicContact CB-CB 4.2Å; R112-Q143 WeakPolarHBondContact O-CB 3.49Å; R112-Q143 PolarHBondContact O-N 3.49Å
113L88.3Confident76.1Confident0 Ų067.6 Ų67.60%031%0.312CS..EExtended strand (participates in β ladder)trans-96.6131.8167.7173.671.7000107.9V62 W63 L65 L74 I76 L94 V115 I140 V142V62-L113 WeakPolarHBondContact CA-O 3.47Å; W63-L113 HydrophobicContact CB-CB 4.28Å; W63-L113 HydrophobicContact CE3-CD2 4.29Å; W63-L113 HydrophobicContact CE3-CG 4.32Å; W63-L113 PolarHBondContact N-O 2.78Å; W63-L113 PolarHBondContact O-N 3.27Å; L65-L113 HydrophobicContact CD1-CB 4.11Å; L65-L113 HydrophobicContact CD2-CB 4.12Å; L65-L113 HydrophobicContact CG-CB 4.16Å; L74-L113 HydrophobicContact CD2-CD2 3.63Å; I76-L113 HydrophobicContact CD1-CD2 4.25Å; L94-L113 HydrophobicContact CD1-CD1 4.19Å; L94-L113 HydrophobicContact CD1-CD2 3.51Å; L94-L113 HydrophobicContact CD1-CG 4.48Å; L113-V115 HydrophobicContact CD2-CG2 4.48Å; L113-V115 HydrophobicContact CG-CG2 4.39Å; L113-I140 HydrophobicContact CD1-CG2 3.86Å; L113-V142 HydrophobicContact CD1-CG2 3.89Å
114L90.5Very high77Confident2 Ų259.9 Ų59.91%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-113.9125.4176.9-59.486.7000107.7L41 I140 V141L41-L114 HydrophobicContact CB-CD2 3.38Å; L41-L114 HydrophobicContact CB-CG 4.46Å; L41-L114 HydrophobicContact CD1-CD2 4.08Å; L41-L114 HydrophobicContact CG-CD2 4.38Å; L114-I140 WeakPolarHBondContact O-CA 3.26Å; L114-V141 HydrophobicContact CB-CB 4.41Å; L114-V141 WeakPolarHBondContact CD1-O 3.38Å; L114-V141 PolarHBondContact N-O 3.34Å; L114-V141 PolarHBondContact O-N 3.01Å
115V91.8Very high77.9Confident4 Ų460.7 Ų60.72%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-119.1122167.5-176.90000107T61 W63 I76 L92 L113 L138 G139 I140T61-V115 PolarHBondContact N-O 3.3Å; T61-V115 PolarHBondContact O-N 2.94Å; W63-V115 HydrophobicContact CE3-CG2 4.17Å; W63-V115 HydrophobicContact CH2-CB 3.73Å; W63-V115 HydrophobicContact CH2-CG2 3.71Å; W63-V115 HydrophobicContact CZ3-CB 3.42Å; W63-V115 VanDerWaalsContact CZ3-CB 3.42Å; W63-V115 HydrophobicContact CZ3-CG2 3.31Å; I76-V115 HydrophobicContact CD1-CG2 4.08Å; L92-V115 HydrophobicContact CD1-CG1 3.76Å; L92-V115 HydrophobicContact CD1-CG2 4.3Å; L113-V115 HydrophobicContact CD2-CG2 4.48Å; L113-V115 HydrophobicContact CG-CG2 4.39Å; V115-L138 HydrophobicContact CG1-CD1 3.66Å; V115-L138 HydrophobicContact CG1-CG 4.41Å; V115-G139 CarbonylContact C-O 3.55Å; V115-G139 VanDerWaalsContact CA-O 3.31Å; V115-G139 WeakPolarHBondContact CA-O 3.46Å; V115-I140 HydrophobicContact CG2-CG2 4.42Å
116V91.5Very high79Confident5 Ų548.7 Ų48.73%0.0323%0.23CC..EExtended strand (participates in β ladder)trans-122.6124.5-179.3-1720000108.3L37 L41 N59 A60 F118 L138 G139L37-V116 HydrophobicContact CD2-CG1 4.07Å; L41-V116 HydrophobicContact CD1-CG2 3.89Å; N59-V116 CarbonylContact O-C 3.57Å; N59-V116 WeakPolarHBondContact O-CA 3.29Å; A60-V116 HydrophobicContact CB-CG1 4.36Å; A60-V116 HydrophobicContact CB-CG2 4.27Å; V116-F118 HydrophobicContact CB-CE2 4.07Å; V116-F118 HydrophobicContact CG1-CD2 4.05Å; V116-F118 HydrophobicContact CG1-CE2 3.37Å; V116-F118 HydrophobicContact CG1-CZ 3.66Å; V116-L138 CarbonylContact O-C 3.54Å; V116-G139 PolarHBondContact N-O 3.45Å; V116-G139 WeakPolarHBondContact O-CA 3.25Å; V116-G139 PolarHBondContact O-N 2.93Å
117D91.5Very high79.7Confident4 Ų446.7 Ų46.72%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-112.8122.7-178.6169.114.6000109.1V58 N59 Y90 K136 L138V58-D117 CarbonylContact C-O 3.57Å; V58-D117 VanDerWaalsContact CA-O 3.31Å; V58-D117 WeakPolarHBondContact CA-O 3.34Å; N59-D117 HydrophobicContact CB-CB 4.24Å; N59-D117 PolarHBondContact N-O 3.31Å; N59-D117 PolarHBondContact O-N 3.41Å; Y90-D117 HydrophobicContact CE1-CB 4.33Å; Y90-D117 WeakPolarHBondContact CE1-OD2 3.5Å; D117-K136 WeakPolarHBondContact OD1-CD 3.41Å; D117-K136 WeakPolarHBondContact OD1-CE 3.49Å; D117-K136 IonicContact OD1-NZ 3.44Å; D117-K136 PolarHBondContact OD1-NZ 3.4Å; D117-K136 VanDerWaalsContact OD2-CE 3.25Å; D117-K136 WeakPolarHBondContact OD2-CE 3.45Å; D117-K136 IonicContact OD2-NZ 3.33Å; D117-K136 PolarHBondContact OD2-NZ 3.39Å; D117-L138 HydrophobicContact CB-CD1 3.87Å
118F90.1Very high80.3Confident0 Ų041.7 Ų41.70%022%0.218CC..EExtended strand (participates in β ladder)trans-108.3123.2175.8-62.8-98.6000109.7L11 L15 L34 L37 V58 V116 S120 L123 F124 K136 V137 Y209L11-F118 HydrophobicContact CD2-CE1 4.15Å; L15-F118 HydrophobicContact CD1-CD1 4.01Å; L34-F118 HydrophobicContact CD2-CE2 4.36Å; L34-F118 HydrophobicContact CD2-CZ 3.77Å; L37-F118 HydrophobicContact CD2-CZ 4.1Å; V58-F118 HydrophobicContact CG2-CB 4.42Å; V58-F118 HydrophobicContact CG2-CD1 3.13Å; V58-F118 HydrophobicContact CG2-CE1 3.3Å; V58-F118 HydrophobicContact CG2-CG 3.79Å; V58-F118 HydrophobicContact CG2-CZ 4.09Å; V116-F118 HydrophobicContact CB-CE2 4.07Å; V116-F118 HydrophobicContact CG1-CD2 4.05Å; V116-F118 HydrophobicContact CG1-CE2 3.37Å; V116-F118 HydrophobicContact CG1-CZ 3.66Å; F118-S120 PolarHBondContact O-N 3.39Å; F118-L123 HydrophobicContact CD1-CD1 4.17Å; F118-L123 HydrophobicContact CE1-CD1 3.79Å; F118-F124 HydrophobicContact CB-CE2 4.41Å; F118-F124 HydrophobicContact CD1-CE2 4.3Å; F118-F124 AromaticContact CD2-CE2 3.99Å; F118-F124 HydrophobicContact CD2-CE2 3.99Å; F118-F124 HydrophobicContact CD2-CZ 4.2Å; F118-F124 HydrophobicContact CE2-CE2 4.34Å; F118-F124 HydrophobicContact CE2-CZ 4.16Å; F118-F124 AromaticContact CG-CE2 3.99Å; F118-F124 HydrophobicContact CG-CE2 3.99Å; F118-K136 WeakPolarHBondContact O-CA 3.42Å; F118-V137 HydrophobicContact CB-CB 4.25Å; F118-V137 PolarHBondContact N-O 3.32Å; F118-V137 PolarHBondContact O-N 3.28Å; F118-Y209 HydrophobicContact CE2-CD1 4.16Å; F118-Y209 AromaticContact CE2-CE1 3.86Å; F118-Y209 HydrophobicContact CE2-CE1 3.86Å
119S87.7Confident81.2Confident19 Ų1938.1 Ų38.113%0.13321%0.205CC..EExtended strand (participates in β ladder)trans-94.237.6172-53.30000111.6R57 K136R57-S119 WeakPolarHBondContact CD-O 3.31Å; R57-S119 PolarHBondContact NH1-O 3.47Å; R57-S119 PolarHBondContact O-N 2.9Å; S119-K136 PolarHBondContact OG-NZ 2.9Å
120S85.2Confident81.9Confident4 Ų434 Ų343%0.02819%0.186CC..  trans-164.1133.8174.3-178.30000111.1F118 A122 E135F118-S120 PolarHBondContact O-N 3.39Å; S120-A122 VanDerWaalsContact C-N 3.28Å; S120-A122 PolarHBondContact O-N 3.17Å; S120-A122 PolarHBondContact OG-N 3.21Å; S120-E135 CarbonylContact C-O 3.6Å; S120-E135 VanDerWaalsContact C-O 3.26Å; S120-E135 WeakPolarHBondContact CA-O 3.37Å; S120-E135 PolarHBondContact N-O 3.47Å; S120-E135 VanDerWaalsContact N-O 3.13Å
121Q84.5Confident82.7Confident34 Ų3436.5 Ų36.516%0.15919%0.186CC..  trans-85.27.3176.666.1176.36.600113.7L123 F124 V132 E135Q121-L123 PolarHBondContact O-N 3.5Å; Q121-L123 VanDerWaalsContact O-N 3.12Å; Q121-F124 CarbonylContact O-C 3.55Å; Q121-F124 PolarHBondContact O-N 2.88Å; Q121-V132 HydrophobicContact CB-CB 4.28Å; Q121-V132 HydrophobicContact CB-CG2 4.14Å; Q121-V132 VanDerWaalsContact OE1-CB 3.23Å; Q121-V132 VanDerWaalsContact OE1-CG2 3.27Å; Q121-E135 HydrophobicContact CB-CB 4.38Å; Q121-E135 HydrophobicContact CG-CB 4.26Å; Q121-E135 HydrophobicContact CG-CG 4.18Å; Q121-E135 PolarHBondContact N-O 3.42Å
122A83.6Confident83.1Confident5 Ų534.2 Ų34.24%0.04118%0.176CC..THydrogen-bonded Turntrans-59.5-27.5-17300000114.2L15 P18 S120L15-A122 HydrophobicContact CD2-CB 3.91Å; P18-A122 HydrophobicContact CB-CB 3.88Å; P18-A122 HydrophobicContact CG-CB 4.38Å; S120-A122 VanDerWaalsContact C-N 3.28Å; S120-A122 PolarHBondContact O-N 3.17Å; S120-A122 PolarHBondContact OG-N 3.21Å
123L81.3Confident83.1Confident1 Ų132.1 Ų32.11%0.00517%0.168CC..THydrogen-bonded Turntrans-83.9-15.7174.1-66.8170000113.4L11 Y14 L15 I30 F118 Q121L11-L123 HydrophobicContact CD1-CD1 4.05Å; Y14-L123 HydrophobicContact CE1-CD2 4.14Å; L15-L123 HydrophobicContact CD2-CD1 3.98Å; L15-L123 HydrophobicContact CD2-CG 3.81Å; I30-L123 WeakPolarHBondContact CD1-O 3.29Å; I30-L123 HydrophobicContact CG1-CD2 4.29Å; I30-L123 WeakPolarHBondContact CG1-O 3.22Å; I30-L123 HydrophobicContact CG2-CB 4.38Å; I30-L123 WeakPolarHBondContact CG2-O 3.2Å; F118-L123 HydrophobicContact CD1-CD1 4.17Å; F118-L123 HydrophobicContact CE1-CD1 3.79Å; Q121-L123 PolarHBondContact O-N 3.5Å; Q121-L123 VanDerWaalsContact O-N 3.12Å
124F82.7Confident83Confident1 Ų133 Ų330%0.00418%0.178CC..  trans-119.452.7-169.3-54.4-80.9000111.3L34 F118 Q121 V137 W174 W186 Y209L34-F124 HydrophobicContact CD1-CE1 3.95Å; L34-F124 HydrophobicContact CD1-CZ 4.3Å; L34-F124 HydrophobicContact CD2-CZ 4.24Å; F118-F124 HydrophobicContact CB-CE2 4.41Å; F118-F124 HydrophobicContact CD1-CE2 4.3Å; F118-F124 AromaticContact CD2-CE2 3.99Å; F118-F124 HydrophobicContact CD2-CE2 3.99Å; F118-F124 HydrophobicContact CD2-CZ 4.2Å; F118-F124 HydrophobicContact CE2-CE2 4.34Å; F118-F124 HydrophobicContact CE2-CZ 4.16Å; F118-F124 AromaticContact CG-CE2 3.99Å; F118-F124 HydrophobicContact CG-CE2 3.99Å; Q121-F124 CarbonylContact O-C 3.55Å; Q121-F124 PolarHBondContact O-N 2.88Å; F124-V137 HydrophobicContact CD1-CG1 4.42Å; F124-V137 HydrophobicContact CD2-CB 3.94Å; F124-V137 HydrophobicContact CD2-CG1 3.85Å; F124-V137 HydrophobicContact CD2-CG2 3.71Å; F124-V137 HydrophobicContact CE1-CG1 4.25Å; F124-V137 HydrophobicContact CE2-CB 3.88Å; F124-V137 HydrophobicContact CE2-CG1 3.66Å; F124-V137 HydrophobicContact CE2-CG2 4.19Å; F124-V137 HydrophobicContact CG-CG1 4.22Å; F124-V137 HydrophobicContact CG-CG2 4.28Å; F124-V137 HydrophobicContact CZ-CG1 3.88Å; F124-W174 VanDerWaalsContact C-CH2 3.48Å; F124-W174 HydrophobicContact CB-CD2 4.31Å; F124-W174 HydrophobicContact CB-CE3 4.07Å; F124-W174 HydrophobicContact CB-CH2 4.44Å; F124-W174 HydrophobicContact CB-CZ3 4.15Å; F124-W174 HydrophobicContact CD1-CB 4.11Å; F124-W174 AromaticContact CD1-CD1 3.79Å; F124-W174 AromaticContact CD1-CD2 3.71Å; F124-W174 HydrophobicContact CD1-CD2 3.71Å; F124-W174 AromaticContact CD1-CE2 3.93Å; F124-W174 HydrophobicContact CD1-CE3 4.27Å; F124-W174 AromaticContact CD1-CG 3.62Å; F124-W174 HydrophobicContact CD1-CG 3.62Å; F124-W174 AromaticContact CD1-NE1 3.96Å; F124-W174 HydrophobicContact CE1-CB 4.42Å; F124-W174 HydrophobicContact CE1-CG 4.12Å; F124-W186 HydrophobicContact CB-CH2 3.68Å; F124-W186 HydrophobicContact CB-CZ2 3.36Å; F124-W186 HydrophobicContact CD1-CH2 4.31Å; F124-W186 HydrophobicContact CG-CH2 4.1Å; F124-W186 HydrophobicContact CG-CZ2 4.27Å; F124-W186 WeakPolarHBondContact O-CZ2 3.36Å; F124-W186 PolarHBondContact O-NE1 3.45Å; F124-Y209 HydrophobicContact CE1-CD1 4.28Å; F124-Y209 HydrophobicContact CE1-CG 4.09Å; F124-Y209 AromaticContact CZ-CD1 3.98Å; F124-Y209 HydrophobicContact CZ-CD1 3.98Å; F124-Y209 HydrophobicContact CZ-CG 4.26Å
125Q77.5Confident82.8Confident64 Ų6436.8 Ų36.830%0.29920%0.196SC..  trans-97.9111.1-179.8-66.5-169.50.900111.6T183Q125-T183 WeakPolarHBondContact O-CB 3.31Å; Q125-T183 PolarHBondContact O-OG1 2.92Å
126D75.2Confident82.6Confident15 Ų1536.9 Ų36.98%0.0820%0.196CC..  trans-78.7174.3172.273.5-14.8000111.6N128 S129 S130 W174D126-N128 PolarHBondContact O-N 3.14Å; D126-N128 PolarHBondContact OD1-N 3.15Å; D126-S129 PolarHBondContact O-N 3.25Å; D126-S129 WeakPolarHBondContact OD1-CA 3.31Å; D126-S129 PolarHBondContact OD1-N 3.49Å; D126-S130 PolarHBondContact OD1-N 2.98Å; D126-S130 PolarHBondContact OD1-OG 2.8Å; D126-S130 PolarHBondContact OD2-OG 3.21Å; D126-W174 HydrophobicContact CB-CZ3 4.35Å
127K70.9Confident82.6Confident157 Ų15736.6 Ų36.668%0.68319%0.194SC*.THydrogen-bonded Turntrans-63.1-24.5176.8-70.6-178.6177.6174.10113.2
128N68.4Low82.7Confident133 Ų13336.5 Ų36.571%0.71119%0.193SC*.THydrogen-bonded Turntrans-89-4.9-176.1-66.6-8.5000113.2D126 S130D126-N128 PolarHBondContact O-N 3.14Å; D126-N128 PolarHBondContact OD1-N 3.15Å; N128-S130 PolarHBondContact O-N 2.91Å
129S72.8Confident82.8Confident75 Ų7536.5 Ų36.552%0.52419%0.194SC..  trans53.443.4-173.1-520000111.7D126D126-S129 PolarHBondContact O-N 3.25Å; D126-S129 WeakPolarHBondContact OD1-CA 3.31Å; D126-S129 PolarHBondContact OD1-N 3.49Å
130S76.2Confident83Confident31 Ų3135.6 Ų35.622%0.21719%0.188CC..PPolyproline II helixtrans-58.6136.6-179.7-61.30000110.7D126 N128D126-S130 PolarHBondContact OD1-N 2.98Å; D126-S130 PolarHBondContact OD1-OG 2.8Å; D126-S130 PolarHBondContact OD2-OG 3.21Å; N128-S130 PolarHBondContact O-N 2.91Å
131Q83.2Confident83.2Confident116 Ų11636.7 Ų36.754%0.54219%0.194SC..PPolyproline II helixtrans-89.3117.6-176.5-168.2-180-2.500110.9L213 M214Q131-L213 WeakPolarHBondContact O-CA 3.33Å; Q131-L213 WeakPolarHBondContact O-CD2 3.36Å; Q131-M214 HydrophobicContact CG-CE 3.62Å; Q131-M214 PolarHBondContact O-N 3.24Å
132V85.6Confident83.3Confident2 Ų235.2 Ų35.21%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-83.8134173.1177.70000110.3Q121 G134 E135 K136 V137 W186 A211 L213Q121-V132 HydrophobicContact CB-CB 4.28Å; Q121-V132 HydrophobicContact CB-CG2 4.14Å; Q121-V132 VanDerWaalsContact OE1-CB 3.23Å; Q121-V132 VanDerWaalsContact OE1-CG2 3.27Å; V132-G134 PolarHBondContact O-N 3.08Å; V132-E135 PolarHBondContact O-N 2.9Å; V132-K136 VanDerWaalsContact CG1-O 3.25Å; V132-K136 WeakPolarHBondContact CG1-O 3.15Å; V132-V137 HydrophobicContact CG1-CG2 4.33Å; V132-W186 HydrophobicContact CG2-CZ2 3.85Å; V132-A211 HydrophobicContact CG1-CB 3.83Å; V132-A211 HydrophobicContact CG2-CB 4.12Å; V132-L213 HydrophobicContact CG2-CD2 3.78Å
133L87.6Confident83.2Confident2 Ų237 Ų371%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-56.4117.8175-17669.6000110.6E86 V87 E135 K136 H160 Q163 L169 V212 M214E86-L133 HydrophobicContact CG-CD1 4.1Å; V87-L133 HydrophobicContact CG2-CD2 4.12Å; V87-L133 HydrophobicContact CG2-CG 3.84Å; L133-E135 PolarHBondContact O-N 3.45Å; L133-E135 VanDerWaalsContact O-N 3.09Å; L133-K136 PolarHBondContact O-N 3.49Å; L133-K136 VanDerWaalsContact O-N 3.17Å; L133-H160 HydrophobicContact CD2-CB 3.98Å; L133-Q163 HydrophobicContact CD1-CG 4.36Å; L133-Q163 VanDerWaalsContact CD1-NE2 3.32Å; L133-L169 HydrophobicContact CD1-CD2 4.19Å; L133-L169 HydrophobicContact CD2-CD1 4.48Å; L133-L169 HydrophobicContact CD2-CD2 4.37Å; L133-V212 HydrophobicContact CB-CB 4.03Å; L133-V212 HydrophobicContact CB-CG1 4.24Å; L133-V212 VanDerWaalsContact CB-O 3.28Å; L133-V212 WeakPolarHBondContact CB-O 3.47Å; L133-V212 HydrophobicContact CD2-CB 4.07Å; L133-V212 HydrophobicContact CD2-CG1 3.94Å; L133-V212 PolarHBondContact N-O 2.82Å; L133-M214 HydrophobicContact CB-CG 4.13Å; L133-M214 HydrophobicContact CD1-CE 4.46Å; L133-M214 HydrophobicContact CD1-CG 3.85Å; L133-M214 HydrophobicContact CD1-SD 3.59Å; L133-M214 VanDerWaalsContact CD1-SD 3.59Å
134G84.3Confident82.9Confident20 Ų2044.3 Ų44.321%0.20623%0.234CC..EExtended strand (participates in β ladder)trans5817.6-17600000115.4E86 V132 K136E86-G134 WeakPolarHBondContact OE2-CA 3.28Å; E86-G134 PolarHBondContact OE2-N 3.41Å; V132-G134 PolarHBondContact O-N 3.08Å; G134-K136 PolarHBondContact O-N 2.99Å
135E86.3Confident82.8Confident81 Ų8145.8 Ų45.838%0.37924%0.243SC..EExtended strand (participates in β ladder)trans5419.6-171.3-52.2-168160.100114.5S120 Q121 V132 L133S120-E135 CarbonylContact C-O 3.6Å; S120-E135 VanDerWaalsContact C-O 3.26Å; S120-E135 WeakPolarHBondContact CA-O 3.37Å; S120-E135 PolarHBondContact N-O 3.47Å; S120-E135 VanDerWaalsContact N-O 3.13Å; Q121-E135 HydrophobicContact CB-CB 4.38Å; Q121-E135 HydrophobicContact CG-CB 4.26Å; Q121-E135 HydrophobicContact CG-CG 4.18Å; Q121-E135 PolarHBondContact N-O 3.42Å; V132-E135 PolarHBondContact O-N 2.9Å; L133-E135 PolarHBondContact O-N 3.45Å; L133-E135 VanDerWaalsContact O-N 3.09Å
136K89.2Confident83.1Confident5 Ų551.5 Ų51.52%0.02227%0.267CS..EExtended strand (participates in β ladder)trans-86.5120.6-171.3-160.372.5165.7170.70110.9E81 V87 D117 F118 S119 V132 L133 G134 F158E81-K136 IonicContact OE1-NZ 3.31Å; E81-K136 PolarHBondContact OE1-NZ 3.1Å; V87-K136 HydrophobicContact CB-CB 4.42Å; V87-K136 HydrophobicContact CG1-CG 4.33Å; V87-K136 HydrophobicContact CG2-CB 4.2Å; D117-K136 WeakPolarHBondContact OD1-CD 3.41Å; D117-K136 WeakPolarHBondContact OD1-CE 3.49Å; D117-K136 IonicContact OD1-NZ 3.44Å; D117-K136 PolarHBondContact OD1-NZ 3.4Å; D117-K136 VanDerWaalsContact OD2-CE 3.25Å; D117-K136 WeakPolarHBondContact OD2-CE 3.45Å; D117-K136 IonicContact OD2-NZ 3.33Å; D117-K136 PolarHBondContact OD2-NZ 3.39Å; F118-K136 WeakPolarHBondContact O-CA 3.42Å; S119-K136 PolarHBondContact OG-NZ 2.9Å; V132-K136 VanDerWaalsContact CG1-O 3.25Å; V132-K136 WeakPolarHBondContact CG1-O 3.15Å; L133-K136 PolarHBondContact O-N 3.49Å; L133-K136 VanDerWaalsContact O-N 3.17Å; G134-K136 PolarHBondContact O-N 2.99Å; K136-F158 HydrophobicContact CG-CE1 4.36Å
137V91.5Very high83.5Confident0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-125.2128.4176.3-175.30000109.7F118 F124 V132 W186 F210 A211F118-V137 HydrophobicContact CB-CB 4.25Å; F118-V137 PolarHBondContact N-O 3.32Å; F118-V137 PolarHBondContact O-N 3.28Å; F124-V137 HydrophobicContact CD1-CG1 4.42Å; F124-V137 HydrophobicContact CD2-CB 3.94Å; F124-V137 HydrophobicContact CD2-CG1 3.85Å; F124-V137 HydrophobicContact CD2-CG2 3.71Å; F124-V137 HydrophobicContact CE1-CG1 4.25Å; F124-V137 HydrophobicContact CE2-CB 3.88Å; F124-V137 HydrophobicContact CE2-CG1 3.66Å; F124-V137 HydrophobicContact CE2-CG2 4.19Å; F124-V137 HydrophobicContact CG-CG1 4.22Å; F124-V137 HydrophobicContact CG-CG2 4.28Å; F124-V137 HydrophobicContact CZ-CG1 3.88Å; V132-V137 HydrophobicContact CG1-CG2 4.33Å; V137-W186 HydrophobicContact CG1-CH2 4.18Å; V137-W186 HydrophobicContact CG2-CH2 4.14Å; V137-F210 CarbonylContact C-O 3.56Å; V137-F210 WeakPolarHBondContact CA-O 3.32Å; V137-F210 WeakPolarHBondContact CG1-O 3Å; V137-A211 HydrophobicContact CG2-CB 4.23Å
138L92.5Very high84.3Confident1 Ų146.2 Ų46.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-118.2111.3-175.2-172.569.7000111.5Y90 L92 V115 V116 D117 L156 F158 Y209 F210Y90-L138 HydrophobicContact CD2-CD1 4.37Å; Y90-L138 HydrophobicContact CD2-CD2 3.87Å; Y90-L138 HydrophobicContact CE2-CD1 3.84Å; Y90-L138 HydrophobicContact CE2-CD2 4.07Å; L92-L138 HydrophobicContact CD1-CD2 3.72Å; L92-L138 HydrophobicContact CD2-CD2 3.2Å; L92-L138 HydrophobicContact CG-CD2 3.93Å; V115-L138 HydrophobicContact CG1-CD1 3.66Å; V115-L138 HydrophobicContact CG1-CG 4.41Å; V116-L138 CarbonylContact O-C 3.54Å; D117-L138 HydrophobicContact CB-CD1 3.87Å; L138-L156 HydrophobicContact CD2-CD2 3.79Å; L138-F158 HydrophobicContact CB-CZ 4.35Å; L138-Y209 CarbonylContact O-C 3.51Å; L138-Y209 WeakPolarHBondContact O-CA 3.35Å; L138-F210 PolarHBondContact N-O 3.38Å; L138-F210 PolarHBondContact O-N 3.46Å
139G91.8Very high85.2Confident1 Ų146 Ų461%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-87.3129.417200000112.7V115 V116 T208V115-G139 CarbonylContact C-O 3.55Å; V115-G139 VanDerWaalsContact CA-O 3.31Å; V115-G139 WeakPolarHBondContact CA-O 3.46Å; V116-G139 PolarHBondContact N-O 3.45Å; V116-G139 WeakPolarHBondContact O-CA 3.25Å; V116-G139 PolarHBondContact O-N 2.93Å; G139-T208 WeakPolarHBondContact CA-O 3.45Å
140I91.8Very high85.9Confident0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-126121.9170.4-50.5172.3000108.1L92 L94 L113 L114 V115 V154 L156 L207 T208L92-I140 HydrophobicContact CD1-CD1 4.03Å; L92-I140 HydrophobicContact CD1-CG1 4.4Å; L92-I140 HydrophobicContact CD2-CD1 4.1Å; L94-I140 HydrophobicContact CD2-CD1 4.47Å; L94-I140 HydrophobicContact CD2-CG2 4.06Å; L113-I140 HydrophobicContact CD1-CG2 3.86Å; L114-I140 WeakPolarHBondContact O-CA 3.26Å; V115-I140 HydrophobicContact CG2-CG2 4.42Å; I140-V154 HydrophobicContact CD1-CG1 4.35Å; I140-L156 HydrophobicContact CD1-CD2 3.83Å; I140-L156 HydrophobicContact CD1-CG 4.39Å; I140-L207 HydrophobicContact CB-CD2 4.08Å; I140-L207 HydrophobicContact CG2-CD1 4.27Å; I140-L207 HydrophobicContact CG2-CD2 3.79Å; I140-L207 CarbonylContact O-C 3.56Å; I140-L207 WeakPolarHBondContact O-CB 3.49Å; I140-T208 PolarHBondContact N-O 3.23Å; I140-T208 PolarHBondContact O-N 3.4Å
141V89.5Confident86.3Confident27 Ų2746.5 Ų46.516%0.16425%0.249CC..EExtended strand (participates in β ladder)trans-139.1138.9-175.4-176.60000109.8E38 L114E38-V141 WeakPolarHBondContact OE1-CG2 3.45Å; L114-V141 HydrophobicContact CB-CB 4.41Å; L114-V141 WeakPolarHBondContact CD1-O 3.38Å; L114-V141 PolarHBondContact N-O 3.34Å; L114-V141 PolarHBondContact O-N 3.01Å
142V86.8Confident86.6Confident2 Ų244.5 Ų44.51%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-106.2132.7170.7-177.30000108.9V98 T102 K111 L113 N144 T145 V147 L207V98-V142 HydrophobicContact CG1-CG2 4.21Å; T102-V142 HydrophobicContact CG2-CB 4.07Å; T102-V142 HydrophobicContact CG2-CG1 3.59Å; T102-V142 HydrophobicContact CG2-CG2 4.26Å; K111-V142 HydrophobicContact CD-CG1 4.36Å; L113-V142 HydrophobicContact CD1-CG2 3.89Å; V142-N144 PolarHBondContact O-N 2.93Å; V142-N144 VanDerWaalsContact O-N 3.15Å; V142-T145 PolarHBondContact O-N 2.93Å; V142-V147 HydrophobicContact CG2-CG2 4.5Å; V142-L207 HydrophobicContact CG2-CD1 3.76Å
143Q82.7Confident86.9Confident44 Ų4446.8 Ų46.821%0.20626%0.257CS..THydrogen-bonded Turntrans-43.5121.1-178.9173172.32100112.4T42 R112 T145T42-Q143 HydrophobicContact CG2-CB 4.11Å; T42-Q143 HydrophobicContact CG2-CG 3.43Å; T42-Q143 VanDerWaalsContact CG2-CG 3.43Å; R112-Q143 HydrophobicContact CB-CB 4.2Å; R112-Q143 WeakPolarHBondContact O-CB 3.49Å; R112-Q143 PolarHBondContact O-N 3.49Å; Q143-T145 PolarHBondContact O-N 3.05Å; Q143-T145 PolarHBondContact O-OG1 3.32Å
144N75.2Confident87.2Confident154 Ų15446.7 Ų46.782%0.82426%0.257SS*.THydrogen-bonded Turntrans50.928.7175.6-61.6-18.1000114.5V142V142-N144 PolarHBondContact O-N 2.93Å; V142-N144 VanDerWaalsContact O-N 3.15Å
145T80.6Confident87.7Confident31 Ų3147.1 Ų47.119%0.1926%0.256CS..BIsolated β-bridgetrans-137.3118.8-177.6-41.80000111.4T102 K111 V142 Q143 V147T102-T145 HydrophobicContact CG2-CG2 3.72Å; K111-T145 PolarHBondContact NZ-OG1 3.16Å; V142-T145 PolarHBondContact O-N 2.93Å; Q143-T145 PolarHBondContact O-N 3.05Å; Q143-T145 PolarHBondContact O-OG1 3.32Å; T145-V147 HydrophobicContact CG2-CG2 4.28Å; T145-V147 PolarHBondContact O-N 3.24Å
146K83.3Confident88Confident184 Ų18443.3 Ų43.380%0.824%0.238SC*.  trans-84.4106.3171-171.5172.9-176.5175.50109.3T148K146-T148 HydrophobicContact CG-CG2 4.08Å
147V84.5Confident88.3Confident2 Ų244 Ų441%0.01224%0.242CC..  trans-91.1117.1-179.8177.80000109T102 V142 T145 L150 H206 L207T102-V147 HydrophobicContact CG2-CG2 3.98Å; V142-V147 HydrophobicContact CG2-CG2 4.5Å; T145-V147 HydrophobicContact CG2-CG2 4.28Å; T145-V147 PolarHBondContact O-N 3.24Å; V147-L150 HydrophobicContact CG1-CD1 3.76Å; V147-L150 HydrophobicContact CG1-CD2 3.69Å; V147-L150 HydrophobicContact CG1-CG 3.79Å; V147-H206 WeakPolarHBondContact O-CA 3.02Å; V147-H206 WeakPolarHBondContact O-CB 3.37Å; V147-L207 HydrophobicContact CB-CB 4.13Å; V147-L207 HydrophobicContact CB-CD1 3.87Å; V147-L207 HydrophobicContact CB-CG 3.91Å; V147-L207 HydrophobicContact CG1-CD1 4.1Å; V147-L207 HydrophobicContact CG1-CG 3.98Å; V147-L207 HydrophobicContact CG2-CD1 3.9Å; V147-L207 HydrophobicContact CG2-CG 4.5Å; V147-L207 PolarHBondContact O-N 3.43Å; V147-L207 VanDerWaalsContact O-N 3.14Å
148T86.5Confident88.3Confident59 Ų5944.1 Ų44.136%0.36224%0.243SC..  trans-145.3158.4-177.853.50000110.6Q101 K146 L150 N205 H206Q101-T148 PolarHBondContact NE2-O 2.87Å; Q101-T148 VanDerWaalsContact NE2-O 3.07Å; Q101-T148 PolarHBondContact OE1-O 3.49Å; K146-T148 HydrophobicContact CG-CG2 4.08Å; T148-L150 VanDerWaalsContact C-N 3.32Å; T148-L150 PolarHBondContact O-N 2.63Å; T148-N205 CarbonylContact C-O 3.56Å; T148-H206 HydrophobicContact CG2-CB 4.19Å
149N87Confident88.3Confident129 Ų12947.3 Ų47.369%0.6926%0.258SS*.SBendtrans52.545.3178.9-63.8-20.4000113.5N205N149-N205 PolarHBondContact N-O 3.5Å
150L87.3Confident88.2Confident11 Ų1147.5 Ų47.56%0.05826%0.258CS..  trans-64134.8172.2-67.1168.2000110.1A97 V98 V147 T148 D152 V154 N205A97-L150 HydrophobicContact CB-CD2 4.16Å; V98-L150 HydrophobicContact CG2-CD1 3.71Å; V98-L150 HydrophobicContact CG2-CD2 4.17Å; V147-L150 HydrophobicContact CG1-CD1 3.76Å; V147-L150 HydrophobicContact CG1-CD2 3.69Å; V147-L150 HydrophobicContact CG1-CG 3.79Å; T148-L150 VanDerWaalsContact C-N 3.32Å; T148-L150 PolarHBondContact O-N 2.63Å; L150-D152 WeakPolarHBondContact CB-O 3.37Å; L150-V154 HydrophobicContact CD1-CG2 3.66Å; L150-N205 PolarHBondContact N-O 2.88Å
151S86Confident87.8Confident105 Ų10551.4 Ų51.473%0.73428%0.277SS*.SBendtrans-68.8-40.517349.10000111.7
152D89.4Confident87.6Confident74 Ų7454.8 Ų54.840%0.39630%0.299SS..SBendtrans-102.4122.7173.9-61.6-31000108.5P95 A97 L150P95-D152 HydrophobicContact CB-CB 3.85Å; P95-D152 HydrophobicContact CG-CB 4.11Å; P95-D152 VanDerWaalsContact CG-O 3.28Å; P95-D152 WeakPolarHBondContact CG-O 3.5Å; A97-D152 HydrophobicContact CB-CB 4.5Å; L150-D152 WeakPolarHBondContact CB-O 3.37Å
153P91.6Very high87.2Confident50 Ų5056.7 Ų56.733%0.32531%0.308SS..PPolyproline II helixtrans-74.3148.6-174.629.8-34.5000112L203 C204P153-L203 HydrophobicContact CB-CB 4.04Å; P153-L203 HydrophobicContact CG-CB 4.23Å; P153-L203 HydrophobicContact CG-CD2 4.13Å; P153-C204 CarbonylContact C-O 3.48Å; P153-C204 WeakPolarHBondContact CA-O 3.44Å
154V92.9Very high86.8Confident0 Ų058.3 Ų58.30%032%0.322CS..EExtended strand (participates in β ladder)trans-73.5129.3166178.90000107.7L93 L94 P95 V98 I140 L150 L156 L203 C204 L207L93-V154 WeakPolarHBondContact O-CA 3.46Å; L94-V154 HydrophobicContact CD2-CG1 3.72Å; L94-V154 HydrophobicContact CD2-CG2 4.1Å; P95-V154 HydrophobicContact CG-CG2 4.46Å; V98-V154 HydrophobicContact CG2-CG2 3.9Å; I140-V154 HydrophobicContact CD1-CG1 4.35Å; L150-V154 HydrophobicContact CD1-CG2 3.66Å; V154-L156 HydrophobicContact CG1-CD1 4.07Å; V154-L156 HydrophobicContact CG1-CG 4.46Å; V154-L203 WeakPolarHBondContact O-CA 3.29Å; V154-C204 PolarHBondContact N-O 2.9Å; V154-C204 PolarHBondContact O-N 3.21Å; V154-L207 HydrophobicContact CB-CD2 4.45Å; V154-L207 HydrophobicContact CG1-CD2 4.29Å; V154-L207 HydrophobicContact CG2-CD2 3.68Å
155V94.7Very high86.6Confident30 Ų3061 Ų6118%0.18233%0.326CS..EExtended strand (participates in β ladder)trans-107.8115.1-179-169.20000109.7L92 L93 C202 L203L92-V155 CarbonylContact C-O 3.49Å; L92-V155 WeakPolarHBondContact CA-O 3.38Å; L93-V155 HydrophobicContact CB-CB 3.96Å; L93-V155 HydrophobicContact CB-CG2 4.47Å; L93-V155 HydrophobicContact CD2-CB 4.3Å; L93-V155 HydrophobicContact CD2-CG2 4.03Å; L93-V155 PolarHBondContact N-O 3.2Å; L93-V155 PolarHBondContact O-N 3.1Å; V155-C202 WeakPolarHBondContact CA-O 3.29Å; V155-L203 HydrophobicContact CG1-CG 4.42Å; V155-L203 HydrophobicContact CG2-CG 4.21Å
156L94.5Very high85.9Confident0 Ų064.1 Ų64.10%034%0.342CS..EExtended strand (participates in β ladder)trans-106.3121173.8-50.590.3000108.5S91 L92 L138 I140 V154 F158 S201 C202 F210S91-L156 CarbonylContact O-C 3.54Å; S91-L156 WeakPolarHBondContact O-CA 3.49Å; L92-L156 HydrophobicContact CD2-CB 3.84Å; L92-L156 HydrophobicContact CD2-CD2 3.69Å; L92-L156 HydrophobicContact CD2-CG 3.65Å; L138-L156 HydrophobicContact CD2-CD2 3.79Å; I140-L156 HydrophobicContact CD1-CD2 3.83Å; I140-L156 HydrophobicContact CD1-CG 4.39Å; V154-L156 HydrophobicContact CG1-CD1 4.07Å; V154-L156 HydrophobicContact CG1-CG 4.46Å; L156-F158 HydrophobicContact CB-CE2 4Å; L156-S201 CarbonylContact O-C 3.54Å; L156-S201 VanDerWaalsContact O-CA 3.28Å; L156-S201 WeakPolarHBondContact O-CA 3.25Å; L156-C202 HydrophobicContact CB-CB 4.26Å; L156-C202 HydrophobicContact CD1-CB 4.23Å; L156-C202 PolarHBondContact N-O 3.3Å; L156-C202 PolarHBondContact O-N 3.38Å; L156-F210 HydrophobicContact CD1-CD2 4.22Å; L156-F210 HydrophobicContact CD1-CE2 4.43Å; L156-F210 HydrophobicContact CD1-CG 4.36Å; L156-F210 HydrophobicContact CD2-CB 3.95Å; L156-F210 HydrophobicContact CD2-CD2 3.62Å; L156-F210 HydrophobicContact CD2-CE2 4.41Å; L156-F210 HydrophobicContact CD2-CG 3.96Å
157T94.3Very high85.4Confident20 Ų2057.2 Ų57.212%0.12332%0.316CS..EExtended strand (participates in β ladder)trans-114.8121.2177.5-56.30000110.2Y90 S91 Q199 T200 S201Y90-T157 CarbonylContact C-O 3.52Å; Y90-T157 WeakPolarHBondContact CA-O 3.13Å; S91-T157 PolarHBondContact N-O 2.92Å; S91-T157 PolarHBondContact O-N 3.23Å; S91-T157 WeakPolarHBondContact OG-CB 3.44Å; T157-Q199 HydrophobicContact CG2-CB 4.23Å; T157-T200 CarbonylContact C-O 3.48Å; T157-T200 WeakPolarHBondContact CA-O 3.43Å; T157-S201 WeakPolarHBondContact CG2-OG 3.49Å; T157-S201 PolarHBondContact OG1-OG 2.9Å
158F92.3Very high85.3Confident3 Ų360.7 Ų60.71%0.01334%0.337CS..EExtended strand (participates in β ladder)trans-100121.6175.3-62.7-93.8000108.9V87 K136 L138 L156 H160 Q199 T200 V212V87-F158 HydrophobicContact CG1-CB 4.44Å; V87-F158 HydrophobicContact CG1-CD1 4.12Å; K136-F158 HydrophobicContact CG-CE1 4.36Å; L138-F158 HydrophobicContact CB-CZ 4.35Å; L156-F158 HydrophobicContact CB-CE2 4Å; F158-H160 PolarHBondContact O-CD2 3.27Å; F158-Q199 CarbonylContact O-C 3.56Å; F158-Q199 VanDerWaalsContact O-CA 3.27Å; F158-Q199 WeakPolarHBondContact O-CA 3.29Å; F158-T200 PolarHBondContact N-O 3.24Å; F158-T200 PolarHBondContact O-N 2.91Å; F158-V212 HydrophobicContact CD2-CG2 3.51Å; F158-V212 HydrophobicContact CE2-CG2 3.83Å; F158-V212 HydrophobicContact CG-CG2 4.06Å
159Q92.1Very high85.3Confident68 Ų6858.8 Ų58.832%0.31832%0.324SS..EExtended strand (participates in β ladder)trans-87.8124.9171-64.7-176.7-0.100108.5V87 Q88 A89V87-Q159 CarbonylContact C-O 3.48Å; V87-Q159 WeakPolarHBondContact CA-O 3.47Å; Q88-Q159 PolarHBondContact N-O 3.34Å; A89-Q159 HydrophobicContact CB-CB 4.37Å; A89-Q159 PolarHBondContact O-N 3.28Å
160H88.9Confident85.5Confident4 Ų456.4 Ų56.42%0.01931%0.309CS..EExtended strand (participates in β ladder)trans-140.9163.4-17457.976.2000111.4E86 L133 F158 L169 T198 Q199 T200E86-H160 WeakPolarHBondContact O-CA 3.26Å; E86-H160 VanDerWaalsContact O-CB 3.26Å; E86-H160 WeakPolarHBondContact O-CB 2.9Å; L133-H160 HydrophobicContact CD2-CB 3.98Å; F158-H160 PolarHBondContact O-CD2 3.27Å; H160-L169 VanDerWaalsContact CE1-CD1 3.5Å; H160-L169 WeakPolarHBondContact CE1-CD1 3.38Å; H160-L169 WeakPolarHBondContact NE2-CD1 3.39Å; H160-T198 PolarHBondContact N-O 2.82Å; H160-T198 CarbonylContact O-C 3.55Å; H160-T198 WeakPolarHBondContact O-CA 3.18Å; H160-T198 VanDerWaalsContact O-O 3.1Å; H160-Q199 VanDerWaalsContact NE2-C 3.26Å; H160-T200 PolarHBondContact NE2-N 3.23Å; H160-T200 PolarHBondContact NE2-OG1 2.96Å
161Q84.8Confident85.7Confident82 Ų8255.9 Ų55.938%0.38331%0.306SS..PPolyproline II helixtrans-64.1153.5171.6-62.2-172.37.800111E83 E86 Q163E83-Q161 PolarHBondContact O-NE2 3.03Å; E86-Q161 PolarHBondContact O-N 3.42Å; E86-Q161 VanDerWaalsContact O-N 3.12Å; Q161-Q163 PolarHBondContact O-N 3.14Å
162P84.6Confident86Confident98 Ų9851.1 Ų51.164%0.63627%0.273SS*.PPolyproline II helixtrans-54.7125.1176.3-24.532.5000112.4D197 T198P162-D197 WeakPolarHBondContact CA-O 3.4Å; P162-T198 HydrophobicContact CG-CG2 4.02Å
163Q79.2Confident86.2Confident43 Ų4349 Ų4920%0.20126%0.26CS..PPolyproline II helixtrans-88.6149-178.9-68.5-64.6-29.600111.5E86 L133 Q161 L169E86-Q163 PolarHBondContact OE1-NE2 3.39Å; L133-Q163 HydrophobicContact CD1-CG 4.36Å; L133-Q163 VanDerWaalsContact CD1-NE2 3.32Å; Q161-Q163 PolarHBondContact O-N 3.14Å; Q163-L169 HydrophobicContact CG-CD1 4.12Å; Q163-L169 HydrophobicContact CG-CD2 4.25Å
164P74.2Confident86.1Confident78 Ų7847 Ų4751%0.50625%0.246SC..PPolyproline II helixtrans-57.6145.5176.1-21.331.8000111.2N166 V167P164-N166 PolarHBondContact O-N 2.98Å; P164-V167 HydrophobicContact CB-CG2 4.31Å; P164-V167 HydrophobicContact CG-CG2 4.3Å; P164-V167 PolarHBondContact O-N 3.4Å
165K70.5Confident85.7Confident209 Ų20949.2 Ų49.291%0.90926%0.26SS*.THydrogen-bonded Turntrans-56-18.3178.7-67.6-172.1177.6-175.50114.6V167K165-V167 VanDerWaalsContact C-N 3.32Å
166N65.5Low84.9Confident98 Ų9851 Ų5152%0.52427%0.266SS..THydrogen-bonded Turntrans-92.110-179.7-56.9-5.8000112.5P164 S216 S217P164-N166 PolarHBondContact O-N 2.98Å; N166-S216 CarbonylContact O-C 3.12Å; N166-S216 WeakPolarHBondContact O-CA 3.07Å; N166-S217 VanDerWaalsContact C-OG 3.32Å; N166-S217 VanDerWaalsContact CA-OG 3.22Å; N166-S217 WeakPolarHBondContact CA-OG 3.36Å; N166-S217 PolarHBondContact O-N 3.18Å; N166-S217 PolarHBondContact O-OG 3.35Å; N166-S217 VanDerWaalsContact O-OG 3.05Å
167V73.4Confident83.5Confident39 Ų3953.9 Ų53.924%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-120120177.9179.50000108.1P164 K165 L169 M214P164-V167 HydrophobicContact CB-CG2 4.31Å; P164-V167 HydrophobicContact CG-CG2 4.3Å; P164-V167 PolarHBondContact O-N 3.4Å; K165-V167 VanDerWaalsContact C-N 3.32Å; V167-L169 HydrophobicContact CG1-CD2 4.21Å; V167-M214 HydrophobicContact CG1-CB 3.8Å; V167-M214 HydrophobicContact CG1-CG 4.08Å
168T81.3Confident81.8Confident75 Ų7558.9 Ų58.946%0.4631%0.314SS..EExtended strand (participates in β ladder)trans-95.9128.8169.252.20000109.1V215T168-V215 PolarHBondContact N-O 3.32Å; T168-V215 WeakPolarHBondContact O-CA 3.42Å; T168-V215 WeakPolarHBondContact O-CB 3.34Å; T168-V215 PolarHBondContact O-N 3.38Å; T168-V215 VanDerWaalsContact O-O 3.09Å; T168-V215 PolarHBondContact OG1-O 2.92Å
169L87.8Confident80.2Confident18 Ų1863.3 Ų63.39%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-88.7134.8177.5-61.8177000109.3L133 H160 Q163 V167 T193 T200 V212 L213 M214L133-L169 HydrophobicContact CD1-CD2 4.19Å; L133-L169 HydrophobicContact CD2-CD1 4.48Å; L133-L169 HydrophobicContact CD2-CD2 4.37Å; H160-L169 VanDerWaalsContact CE1-CD1 3.5Å; H160-L169 WeakPolarHBondContact CE1-CD1 3.38Å; H160-L169 WeakPolarHBondContact NE2-CD1 3.39Å; Q163-L169 HydrophobicContact CG-CD1 4.12Å; Q163-L169 HydrophobicContact CG-CD2 4.25Å; V167-L169 HydrophobicContact CG1-CD2 4.21Å; L169-T193 WeakPolarHBondContact O-CG2 3.34Å; L169-T200 HydrophobicContact CB-CG2 4.31Å; L169-T200 WeakPolarHBondContact CD1-OG1 3.34Å; L169-V212 HydrophobicContact CB-CG1 3.83Å; L169-V212 HydrophobicContact CD2-CG1 4.1Å; L169-V212 HydrophobicContact CG-CG1 4.41Å; L169-L213 WeakPolarHBondContact CA-O 3.23Å; L169-M214 HydrophobicContact CD2-CG 3.76Å
170Q89.6Confident78.4Confident79 Ų7962.1 Ų62.137%0.36935%0.35SS..EExtended strand (participates in β ladder)trans-134.1122.1-179.3-172.3170.822.700111.2V172 V212 L213 V215Q170-V172 HydrophobicContact CG-CG1 4.35Å; Q170-V212 CarbonylContact O-C 3.5Å; Q170-L213 PolarHBondContact N-O 3.05Å; Q170-L213 PolarHBondContact O-N 3.32Å; Q170-V215 HydrophobicContact CB-CG2 3.96Å
171C92.5Very high76.9Confident0 Ų068.4 Ų68.40%040%0.395CS..EExtended strand (participates in β ladder)trans-72130.8173.1-62.30000110.8T193 C202C171-T193 HydrophobicContact CB-CG2 4.41Å; C171-T193 VanDerWaalsContact CB-OG1 3.27Å; C171-T193 WeakPolarHBondContact CB-OG1 3.46Å; C171-T193 PolarHBondContact N-OG1 2.72Å; C171-C202 HydrophobicContact CB-CB 3.55Å; C171-C202 WeakPolarHBondContact CB-SG 3.34Å; C171-C202 WeakPolarHBondContact SG-CA 3.28Å; C171-C202 WeakPolarHBondContact SG-CB 3.48Å; C171-C202 CovalentContact SG-SG 2.02Å; C171-C202 PolarHBondContact SG-SG 2.9Å
172V92.8Very high75.8Confident5 Ų565.1 Ų65.13%0.0338%0.381CS..EExtended strand (participates in β ladder)trans-139.9165.4179.6-63.80000110.9Q170 W186 S187 F210 A211 L213Q170-V172 HydrophobicContact CG-CG1 4.35Å; V172-W186 HydrophobicContact CB-CB 4.14Å; V172-W186 HydrophobicContact CB-CE3 4.2Å; V172-W186 HydrophobicContact CG1-CB 4.45Å; V172-W186 HydrophobicContact CG2-CB 4.06Å; V172-W186 HydrophobicContact CG2-CD2 3.81Å; V172-W186 HydrophobicContact CG2-CE3 3.46Å; V172-W186 VanDerWaalsContact CG2-CE3 3.46Å; V172-W186 HydrophobicContact CG2-CG 4.1Å; V172-W186 HydrophobicContact CG2-CZ3 4.18Å; V172-S187 CarbonylContact C-O 3.53Å; V172-S187 VanDerWaalsContact CA-O 3.23Å; V172-S187 WeakPolarHBondContact CA-O 3.46Å; V172-S187 WeakPolarHBondContact CB-O 3.46Å; V172-F210 WeakPolarHBondContact O-CA 3.35Å; V172-A211 HydrophobicContact CG2-CB 4.2Å; V172-A211 WeakPolarHBondContact CG2-O 3.48Å; V172-A211 PolarHBondContact N-O 2.87Å; V172-A211 PolarHBondContact O-N 3.19Å; V172-L213 HydrophobicContact CB-CD1 4.33Å; V172-L213 HydrophobicContact CG1-CD1 3.75Å; V172-L213 HydrophobicContact CG1-CG 4.21Å; V172-L213 HydrophobicContact CG2-CD1 3.77Å; V172-L213 HydrophobicContact CG2-CD2 4.39Å; V172-L213 HydrophobicContact CG2-CG 3.57Å
173F92Very high75Confident30 Ų3062.2 Ų62.213%0.13236%0.361CS..EExtended strand (participates in β ladder)trans-128.6156.7171.174.7-83.6000112.1V175 W186 S187 A189 H206 T208 Y209 F210F173-V175 HydrophobicContact CD2-CG2 4.01Å; F173-V175 HydrophobicContact CE2-CG2 3.36Å; F173-V175 HydrophobicContact CZ-CG2 3.74Å; F173-W186 VanDerWaalsContact C-CE3 3.49Å; F173-W186 WeakPolarHBondContact O-CA 3.39Å; F173-S187 WeakPolarHBondContact CD1-O 3.13Å; F173-S187 VanDerWaalsContact CE1-CB 3.49Å; F173-S187 WeakPolarHBondContact CE1-O 3.16Å; F173-S187 WeakPolarHBondContact CE1-OG 3.3Å; F173-S187 PolarHBondContact N-O 3.48Å; F173-S187 PolarHBondContact O-N 3.13Å; F173-A189 HydrophobicContact CE1-CB 4.15Å; F173-A189 WeakPolarHBondContact CE1-O 3.43Å; F173-H206 AromaticContact CD1-CE1 3.81Å; F173-H206 AromaticContact CD1-NE2 3.39Å; F173-H206 WeakPolarHBondContact CD1-NE2 3.48Å; F173-H206 AromaticContact CD2-NE2 3.65Å; F173-H206 AromaticContact CE1-CE1 3.99Å; F173-H206 AromaticContact CE1-NE2 3.72Å; F173-H206 AromaticContact CE2-NE2 3.9Å; F173-H206 AromaticContact CG-NE2 3.37Å; F173-H206 WeakPolarHBondContact CG-NE2 3.48Å; F173-H206 AromaticContact CZ-NE2 3.94Å; F173-T208 HydrophobicContact CB-CG2 3.46Å; F173-T208 VanDerWaalsContact CB-CG2 3.46Å; F173-T208 HydrophobicContact CD2-CG2 3.79Å; F173-T208 HydrophobicContact CG-CG2 3.9Å; F173-Y209 CarbonylContact C-O 3.46Å; F173-Y209 WeakPolarHBondContact CA-O 3.42Å; F173-F210 HydrophobicContact CB-CD1 3.74Å; F173-F210 HydrophobicContact CB-CE1 3.81Å
174W89.6Confident74.8Confident8 Ų860.3 Ų60.33%0.0335%0.353CS..EExtended strand (participates in β ladder)trans-81.8122.8-178.9-169.4-115.3000111.4F124 D126 T183 W186 Y209F124-W174 VanDerWaalsContact C-CH2 3.48Å; F124-W174 HydrophobicContact CB-CD2 4.31Å; F124-W174 HydrophobicContact CB-CE3 4.07Å; F124-W174 HydrophobicContact CB-CH2 4.44Å; F124-W174 HydrophobicContact CB-CZ3 4.15Å; F124-W174 HydrophobicContact CD1-CB 4.11Å; F124-W174 AromaticContact CD1-CD1 3.79Å; F124-W174 AromaticContact CD1-CD2 3.71Å; F124-W174 HydrophobicContact CD1-CD2 3.71Å; F124-W174 AromaticContact CD1-CE2 3.93Å; F124-W174 HydrophobicContact CD1-CE3 4.27Å; F124-W174 AromaticContact CD1-CG 3.62Å; F124-W174 HydrophobicContact CD1-CG 3.62Å; F124-W174 AromaticContact CD1-NE1 3.96Å; F124-W174 HydrophobicContact CE1-CB 4.42Å; F124-W174 HydrophobicContact CE1-CG 4.12Å; D126-W174 HydrophobicContact CB-CZ3 4.35Å; W174-T183 VanDerWaalsContact CZ2-O 3.23Å; W174-T183 WeakPolarHBondContact CZ2-O 3.41Å; W174-W186 HydrophobicContact CB-CE3 4.26Å; W174-W186 HydrophobicContact CB-CH2 4.36Å; W174-W186 HydrophobicContact CB-CZ3 3.8Å; W174-W186 AromaticContact CE3-CD2 3.62Å; W174-W186 HydrophobicContact CE3-CD2 3.62Å; W174-W186 AromaticContact CE3-CE2 3.59Å; W174-W186 AromaticContact CE3-CE3 3.8Å; W174-W186 HydrophobicContact CE3-CE3 3.8Å; W174-W186 HydrophobicContact CE3-CG 4.23Å; W174-W186 AromaticContact CE3-CH2 3.95Å; W174-W186 HydrophobicContact CE3-CH2 3.95Å; W174-W186 AromaticContact CE3-CZ2 3.8Å; W174-W186 HydrophobicContact CE3-CZ2 3.8Å; W174-W186 AromaticContact CE3-CZ3 3.95Å; W174-W186 HydrophobicContact CE3-CZ3 3.95Å; W174-W186 HydrophobicContact CZ3-CD2 4.03Å; W174-W186 AromaticContact CZ3-CE2 3.72Å; W174-W186 HydrophobicContact CZ3-CG 4.29Å; W174-W186 HydrophobicContact CZ3-CZ2 4.12Å; W174-W186 AromaticContact CZ3-NE1 3.76Å; W174-Y209 PolarHBondContact N-O 3.45Å
175V86.3Confident75.3Confident47 Ų4759.2 Ų59.229%0.28535%0.348SS..EExtended strand (participates in β ladder)trans-103.4114.1171.7-176.90000108.7F173 G184 S185F173-V175 HydrophobicContact CD2-CG2 4.01Å; F173-V175 HydrophobicContact CE2-CG2 3.36Å; F173-V175 HydrophobicContact CZ-CG2 3.74Å; V175-G184 WeakPolarHBondContact O-CA 3.36Å; V175-S185 WeakPolarHBondContact CB-O 3.3Å; V175-S185 PolarHBondContact N-O 3.26Å; V175-S185 PolarHBondContact O-N 3.04Å
176E76.6Confident76.1Confident68 Ų6850.6 Ų50.632%0.31831%0.309SS..  trans-79.1124.5166.4-63.5177.8-16200109S31 P178S31-E176 WeakPolarHBondContact CB-OE2 3.4Å; E176-P178 VanDerWaalsContact O-CD 3.29Å; E176-P178 WeakPolarHBondContact O-CD 3.35Å
177D65.5Low77.2Confident60 Ų6047.5 Ų47.532%0.32130%0.296SS..  trans-109.393.4170.6-174.15000109.4A179 S180D177-A179 PolarHBondContact O-N 3.32Å; D177-A179 PolarHBondContact OD1-N 2.88Å; D177-A179 VanDerWaalsContact OD1-N 3.16Å; D177-S180 VanDerWaalsContact OD2-CB 3.31Å; D177-S180 WeakPolarHBondContact OD2-CB 3.32Å; D177-S180 PolarHBondContact OD2-OG 3.21Å
178P58.3Low78Confident124 Ų12448.2 Ų48.281%0.80530%0.302SS*.THydrogen-bonded Turntrans-70.8-14.6-179.426.9-32.5000113E176E176-P178 VanDerWaalsContact O-CD 3.29Å; E176-P178 WeakPolarHBondContact O-CD 3.35Å
179A58.2Low78.4Confident96 Ų9647.5 Ų47.579%0.79330%0.304SS*.THydrogen-bonded Turntrans-89.2-18.7-174.900000113.3D177D177-A179 PolarHBondContact O-N 3.32Å; D177-A179 PolarHBondContact OD1-N 2.88Å; D177-A179 VanDerWaalsContact OD1-N 3.16Å
180S54.4Low78.3Confident44 Ų4448.4 Ų48.431%0.30832%0.318SS..SBendtrans-111.4150178.870.60000111.3D177 S182D177-S180 VanDerWaalsContact OD2-CB 3.31Å; D177-S180 WeakPolarHBondContact OD2-CB 3.32Å; D177-S180 PolarHBondContact OD2-OG 3.21Å; S180-S182 PolarHBondContact O-N 3.24Å; S180-S182 WeakPolarHBondContact OG-CB 3.34Å; S180-S182 PolarHBondContact OG-OG 3.38Å
181S57.6Low78.4Confident135 Ų13545.5 Ų45.594%0.94431%0.306SS*.SBendtrans-66.213.2170.856.30000113.6
182S62Low78.4Confident14 Ų1451.7 Ų51.710%0.09834%0.335CS..SBendtrans-76.2155.7177.877.10000110.6A27 S180 G184A27-S182 WeakPolarHBondContact CB-O 3.27Å; S180-S182 PolarHBondContact O-N 3.24Å; S180-S182 WeakPolarHBondContact OG-CB 3.34Å; S180-S182 PolarHBondContact OG-OG 3.38Å; S182-G184 PolarHBondContact O-N 3.46Å
183T67.1Low78.4Confident37 Ų3753.6 Ų53.623%0.22735%0.346CS..  trans-78.9-0.7-179.644.40000113.8Q125 W174Q125-T183 WeakPolarHBondContact O-CB 3.31Å; Q125-T183 PolarHBondContact O-OG1 2.92Å; W174-T183 VanDerWaalsContact CZ2-O 3.23Å; W174-T183 WeakPolarHBondContact CZ2-O 3.41Å
184G76Confident78.4Confident3 Ų355 Ų553%0.03136%0.357CS..  trans104.8173-166.100000111.9V175 S182V175-G184 WeakPolarHBondContact O-CA 3.36Å; S182-G184 PolarHBondContact O-N 3.46Å
185S84.8Confident78.3Confident55 Ų5558.1 Ų58.139%0.38538%0.38SS..EExtended strand (participates in β ladder)trans-150.9151.1179.862.40000112.9V175V175-S185 WeakPolarHBondContact CB-O 3.3Å; V175-S185 PolarHBondContact N-O 3.26Å; V175-S185 PolarHBondContact O-N 3.04Å
186W87.1Confident78.3Confident27 Ų2763.6 Ų63.610%0.10240%0.396CS..EExtended strand (participates in β ladder)trans-81.8134.8170.7-65.1113.2000111.1F124 V132 V137 V172 F173 W174 A211 L213F124-W186 HydrophobicContact CB-CH2 3.68Å; F124-W186 HydrophobicContact CB-CZ2 3.36Å; F124-W186 HydrophobicContact CD1-CH2 4.31Å; F124-W186 HydrophobicContact CG-CH2 4.1Å; F124-W186 HydrophobicContact CG-CZ2 4.27Å; F124-W186 WeakPolarHBondContact O-CZ2 3.36Å; F124-W186 PolarHBondContact O-NE1 3.45Å; V132-W186 HydrophobicContact CG2-CZ2 3.85Å; V137-W186 HydrophobicContact CG1-CH2 4.18Å; V137-W186 HydrophobicContact CG2-CH2 4.14Å; V172-W186 HydrophobicContact CB-CB 4.14Å; V172-W186 HydrophobicContact CB-CE3 4.2Å; V172-W186 HydrophobicContact CG1-CB 4.45Å; V172-W186 HydrophobicContact CG2-CB 4.06Å; V172-W186 HydrophobicContact CG2-CD2 3.81Å; V172-W186 HydrophobicContact CG2-CE3 3.46Å; V172-W186 VanDerWaalsContact CG2-CE3 3.46Å; V172-W186 HydrophobicContact CG2-CG 4.1Å; V172-W186 HydrophobicContact CG2-CZ3 4.18Å; F173-W186 VanDerWaalsContact C-CE3 3.49Å; F173-W186 WeakPolarHBondContact O-CA 3.39Å; W174-W186 HydrophobicContact CB-CE3 4.26Å; W174-W186 HydrophobicContact CB-CH2 4.36Å; W174-W186 HydrophobicContact CB-CZ3 3.8Å; W174-W186 AromaticContact CE3-CD2 3.62Å; W174-W186 HydrophobicContact CE3-CD2 3.62Å; W174-W186 AromaticContact CE3-CE2 3.59Å; W174-W186 AromaticContact CE3-CE3 3.8Å; W174-W186 HydrophobicContact CE3-CE3 3.8Å; W174-W186 HydrophobicContact CE3-CG 4.23Å; W174-W186 AromaticContact CE3-CH2 3.95Å; W174-W186 HydrophobicContact CE3-CH2 3.95Å; W174-W186 AromaticContact CE3-CZ2 3.8Å; W174-W186 HydrophobicContact CE3-CZ2 3.8Å; W174-W186 AromaticContact CE3-CZ3 3.95Å; W174-W186 HydrophobicContact CE3-CZ3 3.95Å; W174-W186 HydrophobicContact CZ3-CD2 4.03Å; W174-W186 AromaticContact CZ3-CE2 3.72Å; W174-W186 HydrophobicContact CZ3-CG 4.29Å; W174-W186 HydrophobicContact CZ3-CZ2 4.12Å; W174-W186 AromaticContact CZ3-NE1 3.76Å; W186-A211 HydrophobicContact CE3-CB 4.44Å; W186-A211 HydrophobicContact CH2-CB 3.62Å; W186-A211 HydrophobicContact CZ2-CB 4.24Å; W186-A211 HydrophobicContact CZ3-CB 3.74Å; W186-L213 HydrophobicContact CB-CD1 4.03Å; W186-L213 HydrophobicContact CG-CD1 4.11Å
187S88.5Confident78.7Confident34 Ų3467.1 Ų67.124%0.23842%0.417CS..EExtended strand (participates in β ladder)trans-128.7144.5175.3179.90000110.7V172 F173 A189V172-S187 CarbonylContact C-O 3.53Å; V172-S187 VanDerWaalsContact CA-O 3.23Å; V172-S187 WeakPolarHBondContact CA-O 3.46Å; V172-S187 WeakPolarHBondContact CB-O 3.46Å; F173-S187 WeakPolarHBondContact CD1-O 3.13Å; F173-S187 VanDerWaalsContact CE1-CB 3.49Å; F173-S187 WeakPolarHBondContact CE1-O 3.16Å; F173-S187 WeakPolarHBondContact CE1-OG 3.3Å; F173-S187 PolarHBondContact N-O 3.48Å; F173-S187 PolarHBondContact O-N 3.13Å; S187-A189 WeakPolarHBondContact OG-CB 3.37Å; S187-A189 PolarHBondContact OG-N 2.65Å
188S89.4Confident79.8Confident54 Ų5468 Ų6838%0.37842%0.424SS..  trans-98.22.1173.155.60000112.9G190 C191S188-G190 PolarHBondContact O-N 3.34Å; S188-C191 PolarHBondContact O-N 3.15Å; S188-C191 VanDerWaalsContact O-N 3.13Å
189A89.4Confident81.4Confident59 Ų5964.7 Ų64.749%0.48840%0.398SS..THydrogen-bonded Turntrans-61.9122.9-17500000112.1F173 S187 C191 H206F173-A189 HydrophobicContact CE1-CB 4.15Å; F173-A189 WeakPolarHBondContact CE1-O 3.43Å; S187-A189 WeakPolarHBondContact OG-CB 3.37Å; S187-A189 PolarHBondContact OG-N 2.65Å; A189-C191 VanDerWaalsContact C-N 3.31Å; A189-H206 PolarHBondContact O-CE1 3.46Å
190G86.5Confident83.1Confident38 Ų3860.1 Ų60.139%0.39236%0.36SS..THydrogen-bonded Turntrans78.211.4-179.800000114.8S188 C204 N205S188-G190 PolarHBondContact O-N 3.34Å; G190-C204 WeakPolarHBondContact O-CA 3.27Å; G190-N205 PolarHBondContact O-N 2.94Å; G190-N205 PolarHBondContact O-OD1 3.34Å
191C91.8Very high85Confident17 Ų1758.8 Ų58.812%0.11535%0.351CS..EExtended strand (participates in β ladder)trans-123.1128.4172.2-71.60000111.2S188 A189 L203 C204S188-C191 PolarHBondContact O-N 3.15Å; S188-C191 VanDerWaalsContact O-N 3.13Å; A189-C191 VanDerWaalsContact C-N 3.31Å; C191-L203 CarbonylContact C-O 3.6Å; C191-L203 WeakPolarHBondContact CA-O 3.32Å; C191-C204 HydrophobicContact CB-CB 4.23Å; C191-C204 WeakPolarHBondContact CB-SG 3.2Å; C191-C204 WeakPolarHBondContact SG-CB 3.49Å; C191-C204 CovalentContact SG-SG 2.05Å; C191-C204 PolarHBondContact SG-SG 3.31Å
192E93.3Very high86.7Confident131 Ų13152.4 Ų52.461%0.61231%0.306SS*.EExtended strand (participates in β ladder)trans-102138.7172-172176.3-179.600110.1C202 L203E192-C202 WeakPolarHBondContact O-CA 3.48Å; E192-L203 HydrophobicContact CB-CB 4.34Å; E192-L203 PolarHBondContact N-O 3.14Å; E192-L203 PolarHBondContact O-N 2.63Å
193T91.7Very high88.2Confident44 Ų4454 Ų5427%0.2731%0.314SS..EExtended strand (participates in β ladder)trans-106.1125.9-178.6-51.40000110.7L169 C171 T200L169-T193 WeakPolarHBondContact O-CG2 3.34Å; C171-T193 HydrophobicContact CB-CG2 4.41Å; C171-T193 VanDerWaalsContact CB-OG1 3.27Å; C171-T193 WeakPolarHBondContact CB-OG1 3.46Å; C171-T193 PolarHBondContact N-OG1 2.72Å; T193-T200 HydrophobicContact CG2-CG2 3.88Å
194V92.3Very high89.5Confident60 Ų6052.2 Ų52.236%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-118.394.6173.5-179.20000108.1S201 L203V194-S201 PolarHBondContact N-O 3.47Å; V194-S201 PolarHBondContact O-N 3.15Å; V194-L203 HydrophobicContact CB-CD1 4.36Å; V194-L203 HydrophobicContact CG2-CD1 3.64Å
195S87.1Confident90.3Very high73 Ų7354.4 Ų54.451%0.5131%0.314SS..EExtended strand (participates in β ladder)trans-90.1134.5179.658.70000111.8
196R87.6Confident90.6Very high163 Ų16352.7 Ų52.762%0.61530%0.299SS*.  trans-124.1175.5166.4-58.5-174.7177.6179.4-4.3109.1T198 Q199R196-T198 VanDerWaalsContact C-N 3.34Å; R196-T198 PolarHBondContact O-N 3.49Å; R196-Q199 CarbonylContact C-O 3.49Å; R196-Q199 WeakPolarHBondContact CA-O 3.27Å; R196-Q199 HydrophobicContact CB-CG 3.79Å; R196-Q199 WeakPolarHBondContact CB-O 3.37Å; R196-Q199 HydrophobicContact CG-CG 4.17Å; R196-Q199 PolarHBondContact N-O 2.91Å
197D84.2Confident90.8Very high141 Ų14152.4 Ų52.475%0.75430%0.3SS*.SBendtrans-57.1-42-174.8-63.7-31.3000113.7P162P162-D197 WeakPolarHBondContact CA-O 3.4Å
198T89.2Confident90.9Very high78 Ų7852 Ų5248%0.47930%0.296SS..SBendtrans-121.97.4-175.257.30000113.9H160 P162 R196H160-T198 PolarHBondContact N-O 2.82Å; H160-T198 CarbonylContact O-C 3.55Å; H160-T198 WeakPolarHBondContact O-CA 3.18Å; H160-T198 VanDerWaalsContact O-O 3.1Å; P162-T198 HydrophobicContact CG-CG2 4.02Å; R196-T198 VanDerWaalsContact C-N 3.34Å; R196-T198 PolarHBondContact O-N 3.49Å
199Q92.1Very high90.9Very high55 Ų5549.8 Ų49.826%0.25728%0.28SS..EExtended strand (participates in β ladder)trans-151.7145.1178.762.617368.600111.3T157 F158 H160 R196T157-Q199 HydrophobicContact CG2-CB 4.23Å; F158-Q199 CarbonylContact O-C 3.56Å; F158-Q199 VanDerWaalsContact O-CA 3.27Å; F158-Q199 WeakPolarHBondContact O-CA 3.29Å; H160-Q199 VanDerWaalsContact NE2-C 3.26Å; R196-Q199 CarbonylContact C-O 3.49Å; R196-Q199 WeakPolarHBondContact CA-O 3.27Å; R196-Q199 HydrophobicContact CB-CG 3.79Å; R196-Q199 WeakPolarHBondContact CB-O 3.37Å; R196-Q199 HydrophobicContact CG-CG 4.17Å; R196-Q199 PolarHBondContact N-O 2.91Å
200T92.2Very high91.2Very high0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-127.6125172.7-66.10000109.7T157 F158 H160 L169 T193 V212T157-T200 CarbonylContact C-O 3.48Å; T157-T200 WeakPolarHBondContact CA-O 3.43Å; F158-T200 PolarHBondContact N-O 3.24Å; F158-T200 PolarHBondContact O-N 2.91Å; H160-T200 PolarHBondContact NE2-N 3.23Å; H160-T200 PolarHBondContact NE2-OG1 2.96Å; L169-T200 HydrophobicContact CB-CG2 4.31Å; L169-T200 WeakPolarHBondContact CD1-OG1 3.34Å; T193-T200 HydrophobicContact CG2-CG2 3.88Å; T200-V212 HydrophobicContact CG2-CG1 4.09Å; T200-V212 HydrophobicContact CG2-CG2 4.18Å
201S94.4Very high91.4Very high16 Ų1645.3 Ų45.311%0.11224%0.238CC..EExtended strand (participates in β ladder)trans-106.4128.9178.3-61.40000110.7L156 T157 V194L156-S201 CarbonylContact O-C 3.54Å; L156-S201 VanDerWaalsContact O-CA 3.28Å; L156-S201 WeakPolarHBondContact O-CA 3.25Å; T157-S201 WeakPolarHBondContact CG2-OG 3.49Å; T157-S201 PolarHBondContact OG1-OG 2.9Å; V194-S201 PolarHBondContact N-O 3.47Å; V194-S201 PolarHBondContact O-N 3.15Å
202C94Very high91.4Very high1 Ų144.6 Ų44.61%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-107119.4177-54.90000109.4V155 L156 C171 E192V155-C202 WeakPolarHBondContact CA-O 3.29Å; L156-C202 HydrophobicContact CB-CB 4.26Å; L156-C202 HydrophobicContact CD1-CB 4.23Å; L156-C202 PolarHBondContact N-O 3.3Å; L156-C202 PolarHBondContact O-N 3.38Å; C171-C202 HydrophobicContact CB-CB 3.55Å; C171-C202 WeakPolarHBondContact CB-SG 3.34Å; C171-C202 WeakPolarHBondContact SG-CA 3.28Å; C171-C202 WeakPolarHBondContact SG-CB 3.48Å; C171-C202 CovalentContact SG-SG 2.02Å; C171-C202 PolarHBondContact SG-SG 2.9Å; E192-C202 WeakPolarHBondContact O-CA 3.48Å
203L94.4Very high91.2Very high48 Ų4839 Ų3925%0.25121%0.207SC..EExtended strand (participates in β ladder)trans-105.1102.5177.5-66.284.4000108.5P153 V154 V155 C191 E192 V194P153-L203 HydrophobicContact CB-CB 4.04Å; P153-L203 HydrophobicContact CG-CB 4.23Å; P153-L203 HydrophobicContact CG-CD2 4.13Å; V154-L203 WeakPolarHBondContact O-CA 3.29Å; V155-L203 HydrophobicContact CG1-CG 4.42Å; V155-L203 HydrophobicContact CG2-CG 4.21Å; C191-L203 CarbonylContact C-O 3.6Å; C191-L203 WeakPolarHBondContact CA-O 3.32Å; E192-L203 HydrophobicContact CB-CB 4.34Å; E192-L203 PolarHBondContact N-O 3.14Å; E192-L203 PolarHBondContact O-N 2.63Å; V194-L203 HydrophobicContact CB-CD1 4.36Å; V194-L203 HydrophobicContact CG2-CD1 3.64Å
204C93.3Very high90.8Very high0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-116.4139.7-172.8-63.80000112P153 V154 G190 C191 H206 F210P153-C204 CarbonylContact C-O 3.48Å; P153-C204 WeakPolarHBondContact CA-O 3.44Å; V154-C204 PolarHBondContact N-O 2.9Å; V154-C204 PolarHBondContact O-N 3.21Å; G190-C204 WeakPolarHBondContact O-CA 3.27Å; C191-C204 HydrophobicContact CB-CB 4.23Å; C191-C204 WeakPolarHBondContact CB-SG 3.2Å; C191-C204 WeakPolarHBondContact SG-CB 3.49Å; C191-C204 CovalentContact SG-SG 2.05Å; C191-C204 PolarHBondContact SG-SG 3.31Å; C204-H206 VanDerWaalsContact C-N 3.33Å; C204-H206 PolarHBondContact O-N 3.42Å; C204-F210 HydrophobicContact CB-CD1 4.43Å; C204-F210 HydrophobicContact CB-CE1 3.62Å; C204-F210 HydrophobicContact CB-CZ 3.85Å; C204-F210 WeakPolarHBondContact SG-CE1 3.44Å
205N93Very high89.9Confident48 Ų4837.5 Ų37.526%0.25720%0.197SC..SBendtrans-92.114.9-177.470.8-5.1000114.4T148 N149 L150 G190T148-N205 CarbonylContact C-O 3.56Å; N149-N205 PolarHBondContact N-O 3.5Å; L150-N205 PolarHBondContact N-O 2.88Å; G190-N205 PolarHBondContact O-N 2.94Å; G190-N205 PolarHBondContact O-OD1 3.34Å
206H91.4Very high88.6Confident19 Ų1937.3 Ų37.39%0.08820%0.196CC..SBendtrans-150.9172.1-175.858-72.8000109.8V147 T148 F173 A189 C204 T208 F210V147-H206 WeakPolarHBondContact O-CA 3.02Å; V147-H206 WeakPolarHBondContact O-CB 3.37Å; T148-H206 HydrophobicContact CG2-CB 4.19Å; F173-H206 AromaticContact CD1-CE1 3.81Å; F173-H206 AromaticContact CD1-NE2 3.39Å; F173-H206 WeakPolarHBondContact CD1-NE2 3.48Å; F173-H206 AromaticContact CD2-NE2 3.65Å; F173-H206 AromaticContact CE1-CE1 3.99Å; F173-H206 AromaticContact CE1-NE2 3.72Å; F173-H206 AromaticContact CE2-NE2 3.9Å; F173-H206 AromaticContact CG-NE2 3.37Å; F173-H206 WeakPolarHBondContact CG-NE2 3.48Å; F173-H206 AromaticContact CZ-NE2 3.94Å; A189-H206 PolarHBondContact O-CE1 3.46Å; C204-H206 VanDerWaalsContact C-N 3.33Å; C204-H206 PolarHBondContact O-N 3.42Å; H206-T208 VanDerWaalsContact CD2-CG2 3.49Å; H206-T208 WeakPolarHBondContact CD2-CG2 3.5Å; H206-F210 AromaticContact NE2-CE1 3.91Å; H206-F210 VanDerWaalsContact O-CZ 3.31Å; H206-F210 WeakPolarHBondContact O-CZ 3.29Å
207L90.9Very high86.9Confident22 Ų2231.1 Ų31.112%0.11518%0.177CC..  trans-117132.7175.3-66-176.4000110.4L94 V98 I140 V142 V147 V154L94-L207 HydrophobicContact CD2-CD2 3.91Å; V98-L207 HydrophobicContact CG1-CD1 3.72Å; I140-L207 HydrophobicContact CB-CD2 4.08Å; I140-L207 HydrophobicContact CG2-CD1 4.27Å; I140-L207 HydrophobicContact CG2-CD2 3.79Å; I140-L207 CarbonylContact O-C 3.56Å; I140-L207 WeakPolarHBondContact O-CB 3.49Å; V142-L207 HydrophobicContact CG2-CD1 3.76Å; V147-L207 HydrophobicContact CB-CB 4.13Å; V147-L207 HydrophobicContact CB-CD1 3.87Å; V147-L207 HydrophobicContact CB-CG 3.91Å; V147-L207 HydrophobicContact CG1-CD1 4.1Å; V147-L207 HydrophobicContact CG1-CG 3.98Å; V147-L207 HydrophobicContact CG2-CD1 3.9Å; V147-L207 HydrophobicContact CG2-CG 4.5Å; V147-L207 PolarHBondContact O-N 3.43Å; V147-L207 VanDerWaalsContact O-N 3.14Å; V154-L207 HydrophobicContact CB-CD2 4.45Å; V154-L207 HydrophobicContact CG1-CD2 4.29Å; V154-L207 HydrophobicContact CG2-CD2 3.68Å
208T90.1Very high85.3Confident25 Ų2527.1 Ų27.115%0.15316%0.158CC..SBendtrans-172.9-159.8-177.9-1760000109.4G139 I140 F173 H206 F210G139-T208 WeakPolarHBondContact CA-O 3.45Å; I140-T208 PolarHBondContact N-O 3.23Å; I140-T208 PolarHBondContact O-N 3.4Å; F173-T208 HydrophobicContact CB-CG2 3.46Å; F173-T208 VanDerWaalsContact CB-CG2 3.46Å; F173-T208 HydrophobicContact CD2-CG2 3.79Å; F173-T208 HydrophobicContact CG-CG2 3.9Å; H206-T208 VanDerWaalsContact CD2-CG2 3.49Å; H206-T208 WeakPolarHBondContact CD2-CG2 3.5Å; T208-F210 HydrophobicContact CG2-CD1 4.2Å; T208-F210 HydrophobicContact CG2-CD2 4.49Å; T208-F210 HydrophobicContact CG2-CE1 3.58Å; T208-F210 HydrophobicContact CG2-CE2 3.95Å; T208-F210 HydrophobicContact CG2-CZ 3.45Å; T208-F210 VanDerWaalsContact CG2-CZ 3.45Å; T208-F210 WeakPolarHBondContact O-CD2 3.26Å; T208-F210 WeakPolarHBondContact O-CE2 3.02Å
209Y90.9Very high83.3Confident8 Ų830.4 Ų30.43%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-90.1115.1171.3-60.3-85.8000111L34 E38 F118 F124 L138 F173 W174L34-Y209 HydrophobicContact CB-CE2 4.48Å; L34-Y209 HydrophobicContact CD1-CD2 4.28Å; L34-Y209 HydrophobicContact CD1-CE2 3.88Å; L34-Y209 HydrophobicContact CD2-CE1 3.99Å; L34-Y209 HydrophobicContact CD2-CE2 4.44Å; L34-Y209 HydrophobicContact CG-CE2 4.49Å; E38-Y209 PolarHBondContact OE1-OH 3.46Å; F118-Y209 HydrophobicContact CE2-CD1 4.16Å; F118-Y209 AromaticContact CE2-CE1 3.86Å; F118-Y209 HydrophobicContact CE2-CE1 3.86Å; F124-Y209 HydrophobicContact CE1-CD1 4.28Å; F124-Y209 HydrophobicContact CE1-CG 4.09Å; F124-Y209 AromaticContact CZ-CD1 3.98Å; F124-Y209 HydrophobicContact CZ-CD1 3.98Å; F124-Y209 HydrophobicContact CZ-CG 4.26Å; L138-Y209 CarbonylContact O-C 3.51Å; L138-Y209 WeakPolarHBondContact O-CA 3.35Å; F173-Y209 CarbonylContact C-O 3.46Å; F173-Y209 WeakPolarHBondContact CA-O 3.42Å; W174-Y209 PolarHBondContact N-O 3.45Å
210F93.8Very high81.4Confident2 Ų231.2 Ų31.21%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-107.8150.2-176.6-61.2-75.5000112.3V137 L138 L156 V172 F173 C204 H206 T208V137-F210 CarbonylContact C-O 3.56Å; V137-F210 WeakPolarHBondContact CA-O 3.32Å; V137-F210 WeakPolarHBondContact CG1-O 3Å; L138-F210 PolarHBondContact N-O 3.38Å; L138-F210 PolarHBondContact O-N 3.46Å; L156-F210 HydrophobicContact CD1-CD2 4.22Å; L156-F210 HydrophobicContact CD1-CE2 4.43Å; L156-F210 HydrophobicContact CD1-CG 4.36Å; L156-F210 HydrophobicContact CD2-CB 3.95Å; L156-F210 HydrophobicContact CD2-CD2 3.62Å; L156-F210 HydrophobicContact CD2-CE2 4.41Å; L156-F210 HydrophobicContact CD2-CG 3.96Å; V172-F210 WeakPolarHBondContact O-CA 3.35Å; F173-F210 HydrophobicContact CB-CD1 3.74Å; F173-F210 HydrophobicContact CB-CE1 3.81Å; C204-F210 HydrophobicContact CB-CD1 4.43Å; C204-F210 HydrophobicContact CB-CE1 3.62Å; C204-F210 HydrophobicContact CB-CZ 3.85Å; C204-F210 WeakPolarHBondContact SG-CE1 3.44Å; H206-F210 AromaticContact NE2-CE1 3.91Å; H206-F210 VanDerWaalsContact O-CZ 3.31Å; H206-F210 WeakPolarHBondContact O-CZ 3.29Å; T208-F210 HydrophobicContact CG2-CD1 4.2Å; T208-F210 HydrophobicContact CG2-CD2 4.49Å; T208-F210 HydrophobicContact CG2-CE1 3.58Å; T208-F210 HydrophobicContact CG2-CE2 3.95Å; T208-F210 HydrophobicContact CG2-CZ 3.45Å; T208-F210 VanDerWaalsContact CG2-CZ 3.45Å; T208-F210 WeakPolarHBondContact O-CD2 3.26Å; T208-F210 WeakPolarHBondContact O-CE2 3.02Å
211A92.3Very high79.8Confident0 Ų037.8 Ų37.80%021%0.207CC..EExtended strand (participates in β ladder)trans-148159.9174.400000110.2V132 V137 V172 W186V132-A211 HydrophobicContact CG1-CB 3.83Å; V132-A211 HydrophobicContact CG2-CB 4.12Å; V137-A211 HydrophobicContact CG2-CB 4.23Å; V172-A211 HydrophobicContact CG2-CB 4.2Å; V172-A211 WeakPolarHBondContact CG2-O 3.48Å; V172-A211 PolarHBondContact N-O 2.87Å; V172-A211 PolarHBondContact O-N 3.19Å; W186-A211 HydrophobicContact CE3-CB 4.44Å; W186-A211 HydrophobicContact CH2-CB 3.62Å; W186-A211 HydrophobicContact CZ2-CB 4.24Å; W186-A211 HydrophobicContact CZ3-CB 3.74Å
212V91.9Very high78.3Confident2 Ų237.3 Ų37.31%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-104117.2167.2-179.20000107.4L133 F158 L169 Q170 T200L133-V212 HydrophobicContact CB-CB 4.03Å; L133-V212 HydrophobicContact CB-CG1 4.24Å; L133-V212 VanDerWaalsContact CB-O 3.28Å; L133-V212 WeakPolarHBondContact CB-O 3.47Å; L133-V212 HydrophobicContact CD2-CB 4.07Å; L133-V212 HydrophobicContact CD2-CG1 3.94Å; L133-V212 PolarHBondContact N-O 2.82Å; F158-V212 HydrophobicContact CD2-CG2 3.51Å; F158-V212 HydrophobicContact CE2-CG2 3.83Å; F158-V212 HydrophobicContact CG-CG2 4.06Å; L169-V212 HydrophobicContact CB-CG1 3.83Å; L169-V212 HydrophobicContact CD2-CG1 4.1Å; L169-V212 HydrophobicContact CG-CG1 4.41Å; Q170-V212 CarbonylContact O-C 3.5Å; T200-V212 HydrophobicContact CG2-CG1 4.09Å; T200-V212 HydrophobicContact CG2-CG2 4.18Å
213L88.6Confident77.2Confident13 Ų1339.6 Ų39.67%0.06822%0.218CC..EExtended strand (participates in β ladder)trans-83.4138.9172.9-69.2178.4000110.6Q131 V132 L169 Q170 V172 W186 V215Q131-L213 WeakPolarHBondContact O-CA 3.33Å; Q131-L213 WeakPolarHBondContact O-CD2 3.36Å; V132-L213 HydrophobicContact CG2-CD2 3.78Å; L169-L213 WeakPolarHBondContact CA-O 3.23Å; Q170-L213 PolarHBondContact N-O 3.05Å; Q170-L213 PolarHBondContact O-N 3.32Å; V172-L213 HydrophobicContact CB-CD1 4.33Å; V172-L213 HydrophobicContact CG1-CD1 3.75Å; V172-L213 HydrophobicContact CG1-CG 4.21Å; V172-L213 HydrophobicContact CG2-CD1 3.77Å; V172-L213 HydrophobicContact CG2-CD2 4.39Å; V172-L213 HydrophobicContact CG2-CG 3.57Å; W186-L213 HydrophobicContact CB-CD1 4.03Å; W186-L213 HydrophobicContact CG-CD1 4.11Å; L213-V215 HydrophobicContact CB-CG2 4.19Å; L213-V215 PolarHBondContact O-N 2.95Å
214M83.1Confident76.2Confident22 Ų2239.8 Ų39.811%0.10822%0.218CC..EExtended strand (participates in β ladder)trans-86.5101.3165.5-68.4-169.6-72.900108.5Q131 L133 V167 L169Q131-M214 HydrophobicContact CG-CE 3.62Å; Q131-M214 PolarHBondContact O-N 3.24Å; L133-M214 HydrophobicContact CB-CG 4.13Å; L133-M214 HydrophobicContact CD1-CE 4.46Å; L133-M214 HydrophobicContact CD1-CG 3.85Å; L133-M214 HydrophobicContact CD1-SD 3.59Å; L133-M214 VanDerWaalsContact CD1-SD 3.59Å; V167-M214 HydrophobicContact CG1-CB 3.8Å; V167-M214 HydrophobicContact CG1-CG 4.08Å; L169-M214 HydrophobicContact CD2-CG 3.76Å
215V72.5Confident75.1Confident51 Ų5142.7 Ų42.731%0.30923%0.231SC..EExtended strand (participates in β ladder)trans-96.6106.5176.8-1740000106.9T168 Q170 L213 S217T168-V215 PolarHBondContact N-O 3.32Å; T168-V215 WeakPolarHBondContact O-CA 3.42Å; T168-V215 WeakPolarHBondContact O-CB 3.34Å; T168-V215 PolarHBondContact O-N 3.38Å; T168-V215 VanDerWaalsContact O-O 3.09Å; T168-V215 PolarHBondContact OG1-O 2.92Å; Q170-V215 HydrophobicContact CB-CG2 3.96Å; L213-V215 HydrophobicContact CB-CG2 4.19Å; L213-V215 PolarHBondContact O-N 2.95Å; V215-S217 PolarHBondContact O-N 3.2Å
216S59.6Low74.3Confident69 Ų6945.3 Ų45.348%0.48324%0.241SC..EExtended strand (participates in β ladder)trans-57.1132.1171.540.60000109.3N166 T218N166-S216 CarbonylContact O-C 3.12Å; N166-S216 WeakPolarHBondContact O-CA 3.07Å; S216-T218 PolarHBondContact O-N 3.12Å
217S52.2Low74Confident33 Ų3350.6 Ų50.623%0.23126%0.261CS..  trans-67.582.7174.665.40000108.1N166 V215 E219 V220N166-S217 VanDerWaalsContact C-OG 3.32Å; N166-S217 VanDerWaalsContact CA-OG 3.22Å; N166-S217 WeakPolarHBondContact CA-OG 3.36Å; N166-S217 PolarHBondContact O-N 3.18Å; N166-S217 PolarHBondContact O-OG 3.35Å; N166-S217 VanDerWaalsContact O-OG 3.05Å; V215-S217 PolarHBondContact O-N 3.2Å; S217-E219 PolarHBondContact O-N 2.83Å; S217-V220 PolarHBondContact O-N 2.9Å
218T51.1Low73.6Confident58 Ų5850.7 Ų50.736%0.35626%0.262SS..Hα-helixtrans-59.4-7-17844.40000113.5S216 V220 E221 A222S216-T218 PolarHBondContact O-N 3.12Å; T218-V220 PolarHBondContact O-N 3.18Å; T218-E221 PolarHBondContact O-N 3.38Å; T218-A222 WeakPolarHBondContact O-CB 3.3Å; T218-A222 PolarHBondContact O-N 3.49Å
219E48.3Very low73.2Confident146 Ų14652.4 Ų52.468%0.68227%0.272SS*.Hα-helixtrans-62-38.7177.8-66.5-166.7153.300113.1S217 T223S217-E219 PolarHBondContact O-N 2.83Å; E219-T223 WeakPolarHBondContact O-CB 3.35Å; E219-T223 PolarHBondContact O-N 3.19Å; E219-T223 PolarHBondContact O-OG1 3.49Å
220V51Low73Confident72 Ų7256.6 Ų56.644%0.43629%0.294SS..Hα-helixtrans-71-45.9-179.5179.50000110.4S217 T218 T223 H224S217-V220 PolarHBondContact O-N 2.9Å; T218-V220 PolarHBondContact O-N 3.18Å; V220-T223 PolarHBondContact O-N 2.89Å; V220-H224 PolarHBondContact O-CD2 3.39Å; V220-H224 PolarHBondContact O-N 2.96Å
221E59.2Low72.8Confident138 Ų13858.8 Ų58.865%0.64531%0.306SS*.Hα-helixtrans-66.8-40.6178-165176.5173.200111.8T218 T223 K225T218-E221 PolarHBondContact O-N 3.38Å; E221-T223 VanDerWaalsContact C-N 3.3Å; E221-T223 PolarHBondContact O-N 3.38Å; E221-K225 WeakPolarHBondContact O-CB 3.44Å; E221-K225 PolarHBondContact O-N 3.48Å
222A63Low72.6Confident6 Ų659.6 Ų59.65%0.0531%0.312CS..Hα-helixtrans-63.1-33.7174.400000113.4T218 H226 V368 R370T218-A222 WeakPolarHBondContact O-CB 3.3Å; T218-A222 PolarHBondContact O-N 3.49Å; A222-H226 WeakPolarHBondContact O-CB 3.36Å; A222-H226 PolarHBondContact O-N 2.93Å; A222-H226 VanDerWaalsContact O-N 3.16Å; A222-V368 HydrophobicContact CB-CG1 3.68Å; A222-R370 PolarHBondContact O-NH1 2.79Å; A222-R370 PolarHBondContact O-NH2 2.87Å
223T70Confident72.5Confident49 Ų4964.9 Ų64.930%0.30133%0.332SS..Hα-helixtrans-74.1-50.6179.6-63.10000111E219 V220 E221 K225 H226 Y227 R370E219-T223 WeakPolarHBondContact O-CB 3.35Å; E219-T223 PolarHBondContact O-N 3.19Å; E219-T223 PolarHBondContact O-OG1 3.49Å; V220-T223 PolarHBondContact O-N 2.89Å; E221-T223 VanDerWaalsContact C-N 3.3Å; E221-T223 PolarHBondContact O-N 3.38Å; T223-K225 VanDerWaalsContact C-N 3.31Å; T223-K225 PolarHBondContact O-N 3.24Å; T223-H226 PolarHBondContact O-N 3.46Å; T223-Y227 HydrophobicContact CG2-CD2 3.84Å; T223-Y227 HydrophobicContact CG2-CE2 3.36Å; T223-Y227 WeakPolarHBondContact O-CD2 3.21Å; T223-Y227 PolarHBondContact O-N 2.84Å; T223-Y227 VanDerWaalsContact O-N 3.14Å; T223-R370 PolarHBondContact OG1-NH2 3.38Å
224H74.4Confident72.7Confident53 Ų5367.4 Ų67.425%0.24535%0.348CS..Hα-helixtrans-61.6-40.2175.4-71-59.7000112.4V220 H226 Y227 L228 L456 Y460V220-H224 PolarHBondContact O-CD2 3.39Å; V220-H224 PolarHBondContact O-N 2.96Å; H224-H226 PolarHBondContact O-N 3.29Å; H224-Y227 PolarHBondContact O-N 3.48Å; H224-L228 WeakPolarHBondContact O-CB 3.38Å; H224-L228 VanDerWaalsContact O-CG 3.26Å; H224-L228 WeakPolarHBondContact O-CG 3.47Å; H224-L228 PolarHBondContact O-N 3.33Å; H224-L456 HydrophobicContact CB-CD1 3.79Å; H224-Y460 HydrophobicContact CB-CE2 4.48Å; H224-Y460 AromaticContact ND1-CE2 3.67Å; H224-Y460 AromaticContact ND1-CZ 3.77Å; H224-Y460 PolarHBondContact ND1-OH 2.89Å
225K69.4Low73.2Confident61 Ų6166.3 Ų66.327%0.26534%0.343SS..Hα-helixtrans-60-43175.7-171.8170.6-174.3166.40112.5E221 T223 L228 T229 V368E221-K225 WeakPolarHBondContact O-CB 3.44Å; E221-K225 PolarHBondContact O-N 3.48Å; T223-K225 VanDerWaalsContact C-N 3.31Å; T223-K225 PolarHBondContact O-N 3.24Å; K225-L228 PolarHBondContact O-N 2.98Å; K225-T229 WeakPolarHBondContact O-CB 3.43Å; K225-T229 PolarHBondContact O-N 3.3Å; K225-T229 PolarHBondContact O-OG1 3.49Å; K225-V368 HydrophobicContact CD-CG2 3.89Å
226H76.9Confident74.2Confident102 Ų10264.3 Ų64.347%0.47233%0.331SS..Hα-helixtrans-62.6-45.6177.1-177.563000112.2A222 T223 H224 T229 L230A222-H226 WeakPolarHBondContact O-CB 3.36Å; A222-H226 PolarHBondContact O-N 2.93Å; A222-H226 VanDerWaalsContact O-N 3.16Å; T223-H226 PolarHBondContact O-N 3.46Å; H224-H226 PolarHBondContact O-N 3.29Å; H226-T229 PolarHBondContact O-N 3.1Å; H226-L230 PolarHBondContact O-N 3.3Å
227Y84Confident75.9Confident130 Ų13063.4 Ų63.451%0.5132%0.322SS..Hα-helixtrans-65-40.3177-69.9-58.5000112.7T223 H224 L230 L231T223-Y227 HydrophobicContact CG2-CD2 3.84Å; T223-Y227 HydrophobicContact CG2-CE2 3.36Å; T223-Y227 WeakPolarHBondContact O-CD2 3.21Å; T223-Y227 PolarHBondContact O-N 2.84Å; T223-Y227 VanDerWaalsContact O-N 3.14Å; H224-Y227 PolarHBondContact O-N 3.48Å; Y227-L230 PolarHBondContact O-N 3.38Å; Y227-L231 VanDerWaalsContact O-CB 3.27Å; Y227-L231 WeakPolarHBondContact O-CB 3.44Å; Y227-L231 PolarHBondContact O-N 2.93Å
228L83.1Confident78Confident25 Ų2564.8 Ų64.813%0.13133%0.326CS..Hα-helixtrans-63.7-43.2175.8-74.1166.4000111.5H224 K225 L231 S232 Y460H224-L228 WeakPolarHBondContact O-CB 3.38Å; H224-L228 VanDerWaalsContact O-CG 3.26Å; H224-L228 WeakPolarHBondContact O-CG 3.47Å; H224-L228 PolarHBondContact O-N 3.33Å; K225-L228 PolarHBondContact O-N 2.98Å; L228-L231 PolarHBondContact O-N 3.09Å; L228-S232 WeakPolarHBondContact O-CB 3.28Å; L228-S232 PolarHBondContact O-N 2.99Å; L228-S232 PolarHBondContact O-OG 3.4Å; L228-Y460 HydrophobicContact CD2-CD1 3.57Å; L228-Y460 HydrophobicContact CD2-CD2 4.08Å; L228-Y460 HydrophobicContact CD2-CE1 3.79Å; L228-Y460 HydrophobicContact CD2-CE2 4.27Å; L228-Y460 HydrophobicContact CD2-CG 3.73Å; L228-Y460 HydrophobicContact CG-CD1 4.34Å; L228-Y460 HydrophobicContact CG-CE1 4.06Å; L228-Y460 HydrophobicContact CG-CE2 4.31Å
229T82.3Confident80.1Confident60 Ų6062 Ų6237%0.36831%0.309SS..Hα-helixtrans-60.8-46.5175.1-61.80000111.4K225 H226 L231 S232 Y233K225-T229 WeakPolarHBondContact O-CB 3.43Å; K225-T229 PolarHBondContact O-N 3.3Å; K225-T229 PolarHBondContact O-OG1 3.49Å; H226-T229 PolarHBondContact O-N 3.1Å; T229-L231 VanDerWaalsContact C-N 3.33Å; T229-L231 PolarHBondContact O-N 2.85Å; T229-S232 PolarHBondContact O-N 2.89Å; T229-Y233 WeakPolarHBondContact O-CB 3.4Å; T229-Y233 PolarHBondContact O-N 2.97Å
230L85.9Confident82.4Confident96 Ų9655.6 Ų55.650%0.50328%0.281SS..Hα-helixtrans-60.3-44.2177.3-177.866.3000111.5H226 Y227 Y233 V234H226-L230 PolarHBondContact O-N 3.3Å; Y227-L230 PolarHBondContact O-N 3.38Å; L230-Y233 PolarHBondContact O-N 3.45Å; L230-V234 WeakPolarHBondContact O-CG2 3.24Å; L230-V234 PolarHBondContact O-N 3.31Å
231L89.7Confident84.5Confident49 Ų4957.8 Ų57.826%0.25729%0.29SS..Hα-helixtrans-62.7-47.2178.6-176.561.4000111.8Y227 L228 T229 Y233 V234 G235 Y460 I464Y227-L231 VanDerWaalsContact O-CB 3.27Å; Y227-L231 WeakPolarHBondContact O-CB 3.44Å; Y227-L231 PolarHBondContact O-N 2.93Å; L228-L231 PolarHBondContact O-N 3.09Å; T229-L231 VanDerWaalsContact C-N 3.33Å; T229-L231 PolarHBondContact O-N 2.85Å; L231-Y233 VanDerWaalsContact C-N 3.34Å; L231-Y233 PolarHBondContact O-N 2.7Å; L231-V234 PolarHBondContact O-N 3.44Å; L231-G235 PolarHBondContact O-N 2.93Å; L231-Y460 HydrophobicContact CD2-CD1 4.21Å; L231-I464 HydrophobicContact CD1-CG1 4.29Å; L231-I464 HydrophobicContact CD2-CD1 4.09Å; L231-I464 HydrophobicContact CD2-CG1 3.44Å; L231-I464 VanDerWaalsContact CD2-CG1 3.44Å; L231-I464 HydrophobicContact CG-CG1 4.12Å
232S88.6Confident86.2Confident17 Ų1751.6 Ų51.612%0.11926%0.262CS..Hα-helixtrans-62.8-40.3175.7-69.40000111.9L228 T229 G235 C236L228-S232 WeakPolarHBondContact O-CB 3.28Å; L228-S232 PolarHBondContact O-N 2.99Å; L228-S232 PolarHBondContact O-OG 3.4Å; T229-S232 PolarHBondContact O-N 2.89Å; S232-G235 PolarHBondContact O-N 3.44Å; S232-C236 VanDerWaalsContact O-CB 3.31Å; S232-C236 WeakPolarHBondContact O-CB 3.49Å; S232-C236 PolarHBondContact O-N 3.42Å; S232-C236 PolarHBondContact O-SG 3.5Å
233Y89.4Confident87.7Confident112 Ų11251.3 Ų51.344%0.43926%0.26SS..Hα-helixtrans-61.9-51.5177.6-169.9-85.8000111.6T229 L230 L231 G235 C236 V237 L280T229-Y233 WeakPolarHBondContact O-CB 3.4Å; T229-Y233 PolarHBondContact O-N 2.97Å; L230-Y233 PolarHBondContact O-N 3.45Å; L231-Y233 VanDerWaalsContact C-N 3.34Å; L231-Y233 PolarHBondContact O-N 2.7Å; Y233-G235 VanDerWaalsContact C-N 3.35Å; Y233-G235 PolarHBondContact O-N 3.33Å; Y233-C236 PolarHBondContact O-N 3.01Å; Y233-V237 HydrophobicContact CD1-CG2 4.26Å; Y233-V237 HydrophobicContact CE1-CG2 4.02Å; Y233-V237 WeakPolarHBondContact O-CG2 3.43Å; Y233-V237 PolarHBondContact O-N 2.62Å; Y233-L280 HydrophobicContact CD1-CD2 4.41Å; Y233-L280 HydrophobicContact CD2-CD2 3.47Å; Y233-L280 VanDerWaalsContact CD2-CD2 3.47Å; Y233-L280 HydrophobicContact CE1-CD2 4.45Å; Y233-L280 HydrophobicContact CE2-CD2 3.52Å; Y233-L280 HydrophobicContact CG-CD2 3.95Å
234V93.2Very high88.9Confident66 Ų6652.3 Ų52.340%0.427%0.266SS..Hα-helixtrans-61.9-43.6177.9173.60000111L230 L231 V237 I238L230-V234 WeakPolarHBondContact O-CG2 3.24Å; L230-V234 PolarHBondContact O-N 3.31Å; L231-V234 PolarHBondContact O-N 3.44Å; V234-V237 PolarHBondContact O-N 3.12Å; V234-I238 HydrophobicContact CG1-CD1 3.84Å; V234-I238 WeakPolarHBondContact O-CG1 3.34Å; V234-I238 PolarHBondContact O-N 3.42Å; V234-I238 VanDerWaalsContact O-N 3.11Å
235G93.4Very high89.8Confident0 Ų054.9 Ų54.90%028%0.277CS..Hα-helixtrans-59.4-50.917700000112.6L231 S232 Y233 V237 I238 S239 S467 F468L231-G235 PolarHBondContact O-N 2.93Å; S232-G235 PolarHBondContact O-N 3.44Å; Y233-G235 VanDerWaalsContact C-N 3.35Å; Y233-G235 PolarHBondContact O-N 3.33Å; G235-V237 VanDerWaalsContact C-N 3.35Å; G235-V237 PolarHBondContact O-N 3.35Å; G235-I238 PolarHBondContact O-N 2.99Å; G235-S239 VanDerWaalsContact O-CB 3.28Å; G235-S239 WeakPolarHBondContact O-CB 3.46Å; G235-S239 PolarHBondContact O-N 3.37Å; G235-S467 CarbonylContact C-O 3.6Å; G235-S467 VanDerWaalsContact O-O 3.07Å; G235-F468 VanDerWaalsContact CA-CE2 3.43Å
236C94Very high90.9Very high8 Ų852 Ų525%0.05426%0.264CS..Hα-helixtrans-62.3-37.4179.1-74.80000112.7S232 Y233 S239 A240 D276 L280 S467S232-C236 VanDerWaalsContact O-CB 3.31Å; S232-C236 WeakPolarHBondContact O-CB 3.49Å; S232-C236 PolarHBondContact O-N 3.42Å; S232-C236 PolarHBondContact O-SG 3.5Å; Y233-C236 PolarHBondContact O-N 3.01Å; C236-S239 PolarHBondContact O-N 3.21Å; C236-A240 WeakPolarHBondContact O-CB 3.31Å; C236-A240 PolarHBondContact O-N 3.38Å; C236-D276 HydrophobicContact CB-CB 4.21Å; C236-D276 PolarHBondContact SG-OD1 3.32Å; C236-L280 HydrophobicContact CB-CD1 4.29Å; C236-L280 HydrophobicContact CB-CD2 4.1Å; C236-L280 HydrophobicContact CB-CG 4.09Å; C236-S467 PolarHBondContact N-O 2.87Å
237V95.3Very high91.5Very high50 Ų5048.8 Ų48.830%0.30325%0.25SC..Hα-helixtrans-63.3-47.7175170.90000111Y233 V234 G235 A240 L241 L280Y233-V237 HydrophobicContact CD1-CG2 4.26Å; Y233-V237 HydrophobicContact CE1-CG2 4.02Å; Y233-V237 WeakPolarHBondContact O-CG2 3.43Å; Y233-V237 PolarHBondContact O-N 2.62Å; V234-V237 PolarHBondContact O-N 3.12Å; G235-V237 VanDerWaalsContact C-N 3.35Å; G235-V237 PolarHBondContact O-N 3.35Å; V237-A240 PolarHBondContact O-N 3.48Å; V237-L241 HydrophobicContact CG1-CD1 4.23Å; V237-L241 WeakPolarHBondContact O-CG 3.24Å; V237-L241 PolarHBondContact O-N 3.05Å; V237-L241 VanDerWaalsContact O-N 3.08Å; V237-L280 HydrophobicContact CG2-CD1 3.89Å; V237-L280 HydrophobicContact CG2-CD2 3.95Å
238I95.8Very high91.9Very high62 Ų6244.6 Ų44.632%0.31824%0.243SC..Hα-helixtrans-63.6-44178.5-66.8169000110.5V234 G235 L241 A242 F468 F471V234-I238 HydrophobicContact CG1-CD1 3.84Å; V234-I238 WeakPolarHBondContact O-CG1 3.34Å; V234-I238 PolarHBondContact O-N 3.42Å; V234-I238 VanDerWaalsContact O-N 3.11Å; G235-I238 PolarHBondContact O-N 2.99Å; I238-L241 PolarHBondContact O-N 3.35Å; I238-A242 WeakPolarHBondContact O-CB 3.38Å; I238-A242 PolarHBondContact O-N 2.87Å; I238-F468 HydrophobicContact CB-CE1 4.29Å; I238-F468 HydrophobicContact CD1-CE1 3.77Å; I238-F468 HydrophobicContact CD1-CZ 4.14Å; I238-F468 HydrophobicContact CG2-CD1 4.46Å; I238-F468 HydrophobicContact CG2-CE1 4.23Å; I238-F471 HydrophobicContact CG2-CB 4.17Å; I238-F471 HydrophobicContact CG2-CD2 3.84Å; I238-F471 HydrophobicContact CG2-CE2 4.4Å; I238-F471 HydrophobicContact CG2-CG 3.97Å
239S96.2Very high92.2Very high0 Ų044.5 Ų44.50%025%0.245CC..Hα-helixtrans-60.2-49.1176.8178.10000111.7G235 C236 L241 A242 C243 D276 S467 G470G235-S239 VanDerWaalsContact O-CB 3.28Å; G235-S239 WeakPolarHBondContact O-CB 3.46Å; G235-S239 PolarHBondContact O-N 3.37Å; C236-S239 PolarHBondContact O-N 3.21Å; S239-L241 PolarHBondContact O-N 3.43Å; S239-A242 PolarHBondContact O-N 3.22Å; S239-C243 WeakPolarHBondContact O-CB 3.29Å; S239-C243 PolarHBondContact O-N 3.44Å; S239-C243 PolarHBondContact O-SG 2.88Å; S239-D276 WeakPolarHBondContact CB-OD2 3.4Å; S239-D276 PolarHBondContact OG-OD2 3.39Å; S239-S467 VanDerWaalsContact CB-O 3.22Å; S239-S467 WeakPolarHBondContact CB-O 3.29Å; S239-G470 VanDerWaalsContact OG-CA 3.23Å; S239-G470 WeakPolarHBondContact OG-CA 3.43Å; S239-G470 PolarHBondContact OG-N 3.39Å; S239-G470 VanDerWaalsContact OG-N 3.1Å
240A95.1Very high92.4Very high11 Ų1143.3 Ų43.39%0.09123%0.234CC..Hα-helixtrans-59.9-44.6178.700000112.2C236 V237 C243 V244 F273 D276C236-A240 WeakPolarHBondContact O-CB 3.31Å; C236-A240 PolarHBondContact O-N 3.38Å; V237-A240 PolarHBondContact O-N 3.48Å; A240-C243 PolarHBondContact O-N 2.93Å; A240-V244 WeakPolarHBondContact O-CG2 3.44Å; A240-V244 PolarHBondContact O-N 3.3Å; A240-F273 HydrophobicContact CB-CD2 4.14Å; A240-F273 HydrophobicContact CB-CE2 4.37Å; A240-D276 HydrophobicContact CB-CB 4.09Å
241L96.1Very high92.5Very high118 Ų11844.4 Ų44.462%0.61824%0.24SC*.Hα-helixtrans-62.6-42.6176.1-70.4174000112V237 I238 S239 V244 F245V237-L241 HydrophobicContact CG1-CD1 4.23Å; V237-L241 WeakPolarHBondContact O-CG 3.24Å; V237-L241 PolarHBondContact O-N 3.05Å; V237-L241 VanDerWaalsContact O-N 3.08Å; I238-L241 PolarHBondContact O-N 3.35Å; S239-L241 PolarHBondContact O-N 3.43Å; L241-V244 PolarHBondContact O-N 3.42Å; L241-F245 WeakPolarHBondContact O-CB 3.38Å; L241-F245 PolarHBondContact O-N 2.87Å
242A95.2Very high92.5Very high8 Ų847.1 Ų47.17%0.06626%0.262CS..Hα-helixtrans-64.4-41.5176.900000112.1I238 S239 F245 T246 F471 F474I238-A242 WeakPolarHBondContact O-CB 3.38Å; I238-A242 PolarHBondContact O-N 2.87Å; S239-A242 PolarHBondContact O-N 3.22Å; A242-F245 PolarHBondContact O-N 2.69Å; A242-T246 WeakPolarHBondContact O-CB 3.23Å; A242-T246 PolarHBondContact O-N 3.44Å; A242-T246 PolarHBondContact O-OG1 3.02Å; A242-F471 HydrophobicContact CB-CB 4.25Å; A242-F471 HydrophobicContact CB-CD2 4.07Å; A242-F474 HydrophobicContact CB-CB 4Å; A242-F474 HydrophobicContact CB-CD1 4.09Å; A242-F474 HydrophobicContact CB-CG 4.14Å
243C94.7Very high92.2Very high0 Ų047.9 Ų47.90%027%0.267CS..Hα-helixtrans-60-49.4174-72.80000111.3S239 A240 F245 T246 I247 F273S239-C243 WeakPolarHBondContact O-CB 3.29Å; S239-C243 PolarHBondContact O-N 3.44Å; S239-C243 PolarHBondContact O-SG 2.88Å; A240-C243 PolarHBondContact O-N 2.93Å; C243-F245 PolarHBondContact O-N 2.92Å; C243-T246 PolarHBondContact O-N 3.37Å; C243-I247 WeakPolarHBondContact O-CB 3.31Å; C243-I247 VanDerWaalsContact O-CG1 3.26Å; C243-I247 WeakPolarHBondContact O-CG1 3.34Å; C243-I247 PolarHBondContact O-N 3.28Å; C243-F273 HydrophobicContact CB-CB 3.95Å; C243-F273 HydrophobicContact CB-CD2 4.48Å
244V94.6Very high91.1Very high70 Ų7054.6 Ų54.642%0.42429%0.291SS..Hα-helixtrans-58.6-47.3177.9170.30000111.1A240 L241 T246 I247 A248 F273A240-V244 WeakPolarHBondContact O-CG2 3.44Å; A240-V244 PolarHBondContact O-N 3.3Å; L241-V244 PolarHBondContact O-N 3.42Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-T246 PolarHBondContact O-N 3.03Å; V244-I247 PolarHBondContact O-N 3.34Å; V244-A248 WeakPolarHBondContact O-CB 3.26Å; V244-A248 PolarHBondContact O-N 2.98Å; V244-F273 HydrophobicContact CG2-CD2 3.79Å; V244-F273 HydrophobicContact CG2-CE2 3.41Å; V244-F273 VanDerWaalsContact CG2-CE2 3.41Å; V244-F273 HydrophobicContact CG2-CZ 4.09Å
245F93.5Very high89.9Confident107 Ų10762.1 Ų62.147%0.46931%0.313SS..Hα-helixtrans-60.3-44178-179.8-97.6000112L241 A242 C243 A248 A249 F474 W478L241-F245 WeakPolarHBondContact O-CB 3.38Å; L241-F245 PolarHBondContact O-N 2.87Å; A242-F245 PolarHBondContact O-N 2.69Å; C243-F245 PolarHBondContact O-N 2.92Å; F245-A248 PolarHBondContact O-N 3.05Å; F245-A249 WeakPolarHBondContact O-CB 3.4Å; F245-A249 PolarHBondContact O-N 3.49Å; F245-F474 HydrophobicContact CD1-CD2 4.35Å; F245-F474 AromaticContact CD1-CE2 3.49Å; F245-F474 HydrophobicContact CD1-CE2 3.49Å; F245-F474 VanDerWaalsContact CD1-CE2 3.49Å; F245-F474 AromaticContact CD1-CZ 3.83Å; F245-F474 HydrophobicContact CD1-CZ 3.83Å; F245-F474 AromaticContact CE1-CE2 3.72Å; F245-F474 HydrophobicContact CE1-CE2 3.72Å; F245-F474 AromaticContact CE1-CZ 3.93Å; F245-F474 HydrophobicContact CE1-CZ 3.93Å; F245-W478 HydrophobicContact CE1-CE3 4.47Å; F245-W478 HydrophobicContact CE1-CH2 4.06Å; F245-W478 AromaticContact CE1-CZ3 3.95Å; F245-W478 HydrophobicContact CE1-CZ3 3.95Å; F245-W478 HydrophobicContact CZ-CH2 4.36Å
246T91.1Very high88.6Confident0 Ų069.9 Ų69.90%035%0.346CS..Hα-helixtrans-63.9-47.5179.5-51.20000111.7A242 C243 V244 A249 Y250 M266 L269 F474 Y477A242-T246 WeakPolarHBondContact O-CB 3.23Å; A242-T246 PolarHBondContact O-N 3.44Å; A242-T246 PolarHBondContact O-OG1 3.02Å; C243-T246 PolarHBondContact O-N 3.37Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-T246 PolarHBondContact O-N 3.03Å; T246-A249 PolarHBondContact O-N 3.08Å; T246-Y250 WeakPolarHBondContact O-CB 3.41Å; T246-Y250 PolarHBondContact O-N 2.89Å; T246-M266 HydrophobicContact CG2-CE 4.34Å; T246-L269 HydrophobicContact CG2-CD1 3.55Å; T246-F474 WeakPolarHBondContact OG1-CD2 3.23Å; T246-Y477 HydrophobicContact CG2-CD1 4Å; T246-Y477 HydrophobicContact CG2-CE1 4.34Å
247I90.9Very high87.1Confident35 Ų3570.8 Ų70.818%0.17935%0.353CS..Hα-helixtrans-64.3-45.4179.2-66.1166.6000109.9C243 V244 A249 Y250 L251 L269C243-I247 WeakPolarHBondContact O-CB 3.31Å; C243-I247 VanDerWaalsContact O-CG1 3.26Å; C243-I247 WeakPolarHBondContact O-CG1 3.34Å; C243-I247 PolarHBondContact O-N 3.28Å; V244-I247 PolarHBondContact O-N 3.34Å; I247-A249 PolarHBondContact O-N 3.46Å; I247-Y250 PolarHBondContact O-N 3.26Å; I247-L251 HydrophobicContact CG2-CD1 3.97Å; I247-L251 HydrophobicContact CG2-CG 4.38Å; I247-L251 WeakPolarHBondContact O-CG 3.17Å; I247-L251 PolarHBondContact O-N 2.87Å; I247-L269 HydrophobicContact CD1-CB 4.3Å; I247-L269 HydrophobicContact CG1-CB 4.34Å
248A91.9Very high85.7Confident43 Ų4379 Ų7936%0.35538%0.378SS..Hα-helixtrans-62.1-44.3177.500000111.9V244 F245 Y250 L251 C252V244-A248 WeakPolarHBondContact O-CB 3.26Å; V244-A248 PolarHBondContact O-N 2.98Å; F245-A248 PolarHBondContact O-N 3.05Å; A248-Y250 VanDerWaalsContact C-N 3.3Å; A248-Y250 PolarHBondContact O-N 2.89Å; A248-L251 PolarHBondContact O-N 3.32Å; A248-C252 WeakPolarHBondContact O-CB 3.38Å; A248-C252 PolarHBondContact O-N 3.26Å; A248-C252 PolarHBondContact O-SG 3.47Å
249A89.4Confident84.9Confident22 Ų2280.5 Ų80.518%0.18239%0.387CS..Hα-helixtrans-62.2-37.3176.400000112.2F245 T246 I247 S253 W478F245-A249 WeakPolarHBondContact O-CB 3.4Å; F245-A249 PolarHBondContact O-N 3.49Å; T246-A249 PolarHBondContact O-N 3.08Å; I247-A249 PolarHBondContact O-N 3.46Å; A249-S253 WeakPolarHBondContact O-CB 3.46Å; A249-S253 PolarHBondContact O-N 3.35Å; A249-W478 HydrophobicContact CB-CH2 4.44Å; A249-W478 HydrophobicContact CB-CZ3 4.08Å
250Y87.3Confident84.3Confident36 Ų3684.2 Ų84.214%0.14140%0.402CS..Hα-helixtrans-66.9-46174.1172.9-101.9000112.1T246 I247 A248 S253 I262 K263 M266T246-Y250 WeakPolarHBondContact O-CB 3.41Å; T246-Y250 PolarHBondContact O-N 2.89Å; I247-Y250 PolarHBondContact O-N 3.26Å; A248-Y250 VanDerWaalsContact C-N 3.3Å; A248-Y250 PolarHBondContact O-N 2.89Å; Y250-S253 PolarHBondContact O-N 3.11Å; Y250-I262 HydrophobicContact CD2-CG2 3.98Å; Y250-I262 HydrophobicContact CE2-CG2 3.62Å; Y250-K263 WeakPolarHBondContact OH-CG 3.24Å; Y250-M266 HydrophobicContact CD1-CG 3.65Å; Y250-M266 HydrophobicContact CD1-SD 3.97Å; Y250-M266 HydrophobicContact CD2-CG 4.16Å; Y250-M266 HydrophobicContact CD2-SD 4.21Å; Y250-M266 HydrophobicContact CE1-CG 3.83Å; Y250-M266 HydrophobicContact CE2-CG 4.34Å; Y250-M266 HydrophobicContact CG-CG 3.82Å; Y250-M266 HydrophobicContact CG-SD 3.68Å
251L87.8Confident84Confident118 Ų11885.6 Ų85.662%0.61841%0.409SS*.Hα-helixtrans-67-37179.7-68.7175.6000112.9I247 A248 S253I247-L251 HydrophobicContact CG2-CD1 3.97Å; I247-L251 HydrophobicContact CG2-CG 4.38Å; I247-L251 WeakPolarHBondContact O-CG 3.17Å; I247-L251 PolarHBondContact O-N 2.87Å; A248-L251 PolarHBondContact O-N 3.32Å; L251-S253 VanDerWaalsContact C-N 3.33Å
252C88.8Confident83.6Confident107 Ų10781.7 Ų81.772%0.72339%0.388SS*.Hα-helixtrans-77.9-16.8178.5-63.50000113.2A248 R254A248-C252 WeakPolarHBondContact O-CB 3.38Å; A248-C252 PolarHBondContact O-N 3.26Å; A248-C252 PolarHBondContact O-SG 3.47Å; C252-R254 PolarHBondContact O-N 2.97Å
253S82.6Confident83.3Confident32 Ų3283.9 Ų83.922%0.22440%0.397CS..  trans-68.9117178178.90000110.7A249 Y250 L251 R255A249-S253 WeakPolarHBondContact O-CB 3.46Å; A249-S253 PolarHBondContact O-N 3.35Å; Y250-S253 PolarHBondContact O-N 3.11Å; L251-S253 VanDerWaalsContact C-N 3.33Å; S253-R255 PolarHBondContact O-N 3.38Å; S253-R255 VanDerWaalsContact O-N 3.15Å; S253-R255 PolarHBondContact OG-N 2.86Å; S253-R255 PolarHBondContact OG-O 3.27Å
254R66.7Low83.2Confident253 Ų25383.9 Ų83.996%0.95540%0.397SS*.SBendtrans-59.4-24.8175.4-67.7-173.1-179.7179.90.5113C252 K256C252-R254 PolarHBondContact O-N 2.97Å; R254-K256 PolarHBondContact O-N 3.13Å
255R67.3Low83.1Confident224 Ų22481.3 Ų81.385%0.84538%0.38SS*.SBendtrans-8685169.7-95-179.9177.6146.3-0.7109S253 S257S253-R255 PolarHBondContact O-N 3.38Å; S253-R255 VanDerWaalsContact O-N 3.15Å; S253-R255 PolarHBondContact OG-N 2.86Å; S253-R255 PolarHBondContact OG-O 3.27Å; R255-S257 PolarHBondContact O-N 2.89Å; R255-S257 VanDerWaalsContact O-N 3.14Å
256K65.9Low83Confident163 Ų16376.8 Ų76.871%0.70936%0.36SS*.  trans-66.2108.9164.6-74.2179.5-179.9176.10107.8R254 R258R254-K256 PolarHBondContact O-N 3.13Å; K256-R258 PolarHBondContact O-N 3.41Å
257S62.5Low83.2Confident27 Ų2778.5 Ų78.519%0.18937%0.369CS..  trans-62.3135.2176.3174.40000109.9R255 D259 K263R255-S257 PolarHBondContact O-N 2.89Å; R255-S257 VanDerWaalsContact O-N 3.14Å; S257-D259 PolarHBondContact O-N 2.82Å; S257-D259 WeakPolarHBondContact OG-CB 3.21Å; S257-D259 PolarHBondContact OG-N 3.29Å; S257-D259 PolarHBondContact OG-OD2 3.46Å; S257-K263 VanDerWaalsContact O-CE 3.28Å; S257-K263 WeakPolarHBondContact O-CE 3.2Å
258R66.4Low83.4Confident222 Ų22276.9 Ų76.984%0.83836%0.361SS*.  trans-75.9-9.8170.3-73.8176.268.2145.3-2111.6K256 Y260K256-R258 PolarHBondContact O-N 3.41Å; R258-Y260 PolarHBondContact O-N 2.85Å
259D79.7Confident83.5Confident95 Ų9574.9 Ų74.951%0.50834%0.344SS..  trans-66.2120.7-175.1-54.6-32.8000110.6S257 T261 I262S257-D259 PolarHBondContact O-N 2.82Å; S257-D259 WeakPolarHBondContact OG-CB 3.21Å; S257-D259 PolarHBondContact OG-N 3.29Å; S257-D259 PolarHBondContact OG-OD2 3.46Å; D259-T261 VanDerWaalsContact C-N 3.29Å; D259-T261 PolarHBondContact O-N 3.23Å; D259-I262 HydrophobicContact CB-CD1 4.17Å; D259-I262 HydrophobicContact CB-CG1 4.18Å; D259-I262 PolarHBondContact O-N 3.18Å
260Y83.6Confident83.8Confident78 Ų7875.5 Ų75.531%0.30635%0.347SS..Hα-helixtrans-60.7-41.1178.7-67.4-63.9000111.4R258 I262 K263 V264 Y334 L335R258-Y260 PolarHBondContact O-N 2.85Å; Y260-I262 VanDerWaalsContact C-N 3.34Å; Y260-I262 PolarHBondContact O-N 2.98Å; Y260-K263 WeakPolarHBondContact O-CA 3.48Å; Y260-K263 WeakPolarHBondContact O-CB 3.29Å; Y260-K263 PolarHBondContact O-N 3.42Å; Y260-V264 WeakPolarHBondContact O-CG2 3.39Å; Y260-V264 PolarHBondContact O-N 3.46Å; Y260-Y334 AromaticContact CD1-CD1 3.94Å; Y260-Y334 HydrophobicContact CD1-CD1 3.94Å; Y260-Y334 HydrophobicContact CD2-CD1 4.47Å; Y260-Y334 HydrophobicContact CE1-CD1 4.4Å; Y260-Y334 AromaticContact CG-CD1 3.98Å; Y260-Y334 HydrophobicContact CG-CD1 3.98Å; Y260-Y334 HydrophobicContact CG-CE1 4.41Å; Y260-L335 HydrophobicContact CD1-CD1 3.78Å; Y260-L335 HydrophobicContact CD1-CD2 3.91Å; Y260-L335 HydrophobicContact CD1-CG 3.61Å; Y260-L335 HydrophobicContact CE1-CD1 3.98Å; Y260-L335 HydrophobicContact CE1-CG 3.99Å
261T87.7Confident84.2Confident39 Ų3973.8 Ų73.824%0.23934%0.341CS..Hα-helixtrans-55.4-44.4179.1-50.60000112.9D259 K263 V264 H265 N318D259-T261 VanDerWaalsContact C-N 3.29Å; D259-T261 PolarHBondContact O-N 3.23Å; T261-K263 VanDerWaalsContact C-N 3.27Å; T261-K263 PolarHBondContact O-N 3.33Å; T261-V264 PolarHBondContact O-N 3.47Å; T261-H265 WeakPolarHBondContact CG2-NE2 3.49Å; T261-H265 PolarHBondContact O-CD2 3.37Å; T261-H265 PolarHBondContact O-N 3.37Å; T261-N318 PolarHBondContact OG1-ND2 3.3Å; T261-N318 VanDerWaalsContact OG1-ND2 3.07Å
262I87.9Confident84.6Confident36 Ų3668.3 Ų68.319%0.18531%0.312CS..Hα-helixtrans-62.3-39.4177.9-65.1177.9000110.4Y250 D259 Y260 H265 M266Y250-I262 HydrophobicContact CD2-CG2 3.98Å; Y250-I262 HydrophobicContact CE2-CG2 3.62Å; D259-I262 HydrophobicContact CB-CD1 4.17Å; D259-I262 HydrophobicContact CB-CG1 4.18Å; D259-I262 PolarHBondContact O-N 3.18Å; Y260-I262 VanDerWaalsContact C-N 3.34Å; Y260-I262 PolarHBondContact O-N 2.98Å; I262-H265 WeakPolarHBondContact O-CB 3.49Å; I262-H265 PolarHBondContact O-N 3.35Å; I262-M266 HydrophobicContact CG2-CE 4.22Å; I262-M266 VanDerWaalsContact O-CG 3.29Å; I262-M266 WeakPolarHBondContact O-CG 3.25Å; I262-M266 PolarHBondContact O-N 3.04Å
263K90.1Very high84.9Confident55 Ų5566.2 Ų66.224%0.23929%0.291CS..Hα-helixtrans-70.2-33.4178.6-65.9170.4-174.3164.30112.5Y250 S257 Y260 T261 M266 N267 L335Y250-K263 WeakPolarHBondContact OH-CG 3.24Å; S257-K263 VanDerWaalsContact O-CE 3.28Å; S257-K263 WeakPolarHBondContact O-CE 3.2Å; Y260-K263 WeakPolarHBondContact O-CA 3.48Å; Y260-K263 WeakPolarHBondContact O-CB 3.29Å; Y260-K263 PolarHBondContact O-N 3.42Å; T261-K263 VanDerWaalsContact C-N 3.27Å; T261-K263 PolarHBondContact O-N 3.33Å; K263-M266 PolarHBondContact O-N 3.39Å; K263-N267 PolarHBondContact O-N 3.02Å; K263-N267 PolarHBondContact O-ND2 3.34Å; K263-L335 HydrophobicContact CB-CD1 4.29Å; K263-L335 HydrophobicContact CB-CD2 3.85Å; K263-L335 HydrophobicContact CD-CD1 3.28Å; K263-L335 HydrophobicContact CD-CD2 4.34Å; K263-L335 HydrophobicContact CD-CG 4.42Å; K263-L335 HydrophobicContact CG-CD1 4.42Å
264V92.2Very high85.6Confident0 Ų066.8 Ų66.80%029%0.291CS..Hα-helixtrans-64.9-46.2171.7-175.10000109.5Y260 T261 M266 N267 L268 W311 E315 L338Y260-V264 WeakPolarHBondContact O-CG2 3.39Å; Y260-V264 PolarHBondContact O-N 3.46Å; T261-V264 PolarHBondContact O-N 3.47Å; V264-M266 VanDerWaalsContact C-N 3.31Å; V264-M266 PolarHBondContact O-N 3.4Å; V264-N267 WeakPolarHBondContact O-CB 3.4Å; V264-N267 PolarHBondContact O-N 2.91Å; V264-L268 PolarHBondContact O-N 3.4Å; V264-W311 HydrophobicContact CG1-CE3 3.93Å; V264-W311 HydrophobicContact CG1-CZ3 3.97Å; V264-E315 VanDerWaalsContact C-OE1 3.26Å; V264-E315 HydrophobicContact CG1-CG 3.83Å; V264-E315 VanDerWaalsContact CG1-OE1 3.28Å; V264-E315 WeakPolarHBondContact CG1-OE1 3.5Å; V264-L338 HydrophobicContact CG2-CD1 3.91Å
265H91.5Very high87Confident15 Ų1556 Ų567%0.06925%0.252CS..Hα-helixtrans-57.5-40.8175-67.2-32.7000112.8T261 I262 N267 L268 L269 E315 W476T261-H265 WeakPolarHBondContact CG2-NE2 3.49Å; T261-H265 PolarHBondContact O-CD2 3.37Å; T261-H265 PolarHBondContact O-N 3.37Å; I262-H265 WeakPolarHBondContact O-CB 3.49Å; I262-H265 PolarHBondContact O-N 3.35Å; H265-N267 VanDerWaalsContact C-N 3.32Å; H265-N267 PolarHBondContact O-N 2.87Å; H265-L268 PolarHBondContact O-N 3Å; H265-L269 WeakPolarHBondContact O-CB 3.3Å; H265-L269 WeakPolarHBondContact O-CG 3.39Å; H265-L269 PolarHBondContact O-N 2.97Å; H265-E315 VanDerWaalsContact CA-OE1 3.28Å; H265-E315 WeakPolarHBondContact CA-OE1 3.45Å; H265-E315 IonicContact CE1-OE1 3.67Å; H265-E315 PolarHBondContact CE1-OE1 3Å; H265-E315 IonicContact CE1-OE2 3.42Å; H265-E315 PolarHBondContact CE1-OE2 2.03Å; H265-E315 IonicContact CG-OE1 2.7Å; H265-E315 PolarHBondContact N-OE1 3.26Å; H265-E315 VanDerWaalsContact ND1-CD 3.29Å; H265-E315 IonicContact ND1-OE1 3.9Å; H265-E315 PolarHBondContact ND1-OE1 3.2Å; H265-E315 IonicContact ND1-OE2 2.66Å; H265-E315 PolarHBondContact ND1-OE2 3.45Å; H265-W476 AromaticContact CE1-CH2 3.98Å; H265-W476 AromaticContact NE2-CH2 3.58Å; H265-W476 AromaticContact NE2-CZ3 3.85Å
266M91.9Very high88.3Confident12 Ų1245.6 Ų45.66%0.05921%0.214CC..Hα-helixtrans-65.3-34.7177.2-66.4-52.1109.700112.5T246 Y250 I262 K263 V264 L269 S270 Y477T246-M266 HydrophobicContact CG2-CE 4.34Å; Y250-M266 HydrophobicContact CD1-CG 3.65Å; Y250-M266 HydrophobicContact CD1-SD 3.97Å; Y250-M266 HydrophobicContact CD2-CG 4.16Å; Y250-M266 HydrophobicContact CD2-SD 4.21Å; Y250-M266 HydrophobicContact CE1-CG 3.83Å; Y250-M266 HydrophobicContact CE2-CG 4.34Å; Y250-M266 HydrophobicContact CG-CG 3.82Å; Y250-M266 HydrophobicContact CG-SD 3.68Å; I262-M266 HydrophobicContact CG2-CE 4.22Å; I262-M266 VanDerWaalsContact O-CG 3.29Å; I262-M266 WeakPolarHBondContact O-CG 3.25Å; I262-M266 PolarHBondContact O-N 3.04Å; K263-M266 PolarHBondContact O-N 3.39Å; V264-M266 VanDerWaalsContact C-N 3.31Å; V264-M266 PolarHBondContact O-N 3.4Å; M266-L269 HydrophobicContact CE-CD1 3.99Å; M266-L269 HydrophobicContact SD-CD1 4.32Å; M266-S270 WeakPolarHBondContact O-CB 3.07Å; M266-S270 PolarHBondContact O-N 3.34Å; M266-S270 PolarHBondContact O-OG 3.31Å; M266-Y477 HydrophobicContact CE-CD2 4.49Å; M266-Y477 HydrophobicContact CE-CE2 4.16Å
267N94.6Very high89.7Confident36 Ų3639.9 Ų39.919%0.19319%0.192CC..Hα-helixtrans-71.9-39.9174.7-79.5-81.3000111.8K263 V264 H265 S270 A271 W311 W343K263-N267 PolarHBondContact O-N 3.02Å; K263-N267 PolarHBondContact O-ND2 3.34Å; V264-N267 WeakPolarHBondContact O-CB 3.4Å; V264-N267 PolarHBondContact O-N 2.91Å; H265-N267 VanDerWaalsContact C-N 3.32Å; H265-N267 PolarHBondContact O-N 2.87Å; N267-S270 WeakPolarHBondContact O-CB 3.02Å; N267-S270 PolarHBondContact O-N 3Å; N267-S270 VanDerWaalsContact O-N 3.16Å; N267-A271 PolarHBondContact O-N 2.95Å; N267-W311 HydrophobicContact CB-CD2 3.65Å; N267-W311 HydrophobicContact CB-CE3 3.64Å; N267-W311 HydrophobicContact CB-CH2 3.41Å; N267-W311 VanDerWaalsContact CB-CH2 3.41Å; N267-W311 HydrophobicContact CB-CZ2 3.42Å; N267-W311 VanDerWaalsContact CB-CZ2 3.42Å; N267-W311 HydrophobicContact CB-CZ3 3.52Å; N267-W311 VanDerWaalsContact CG-CH2 3.42Å; N267-W343 PolarHBondContact OD1-NE1 3.49Å
268L94.6Very high91.2Very high1 Ų138.6 Ų38.61%0.00518%0.183CC..Hα-helixtrans-59.1-47.1172.1178.265.9000111.1V264 H265 S270 A271 V272 W311 M312 E315 V437 I473V264-L268 PolarHBondContact O-N 3.4Å; H265-L268 PolarHBondContact O-N 3Å; L268-S270 PolarHBondContact O-N 2.72Å; L268-A271 WeakPolarHBondContact O-CB 3.2Å; L268-A271 PolarHBondContact O-N 2.98Å; L268-A271 VanDerWaalsContact O-N 3.09Å; L268-V272 HydrophobicContact CD1-CG2 4.44Å; L268-V272 HydrophobicContact CG-CG2 4.49Å; L268-V272 WeakPolarHBondContact O-CG2 3.12Å; L268-V272 PolarHBondContact O-N 2.86Å; L268-W311 HydrophobicContact CB-CB 4.18Å; L268-W311 HydrophobicContact CD1-CB 3.75Å; L268-M312 HydrophobicContact CD1-CG 3.93Å; L268-E315 HydrophobicContact CD2-CG 4.24Å; L268-V437 HydrophobicContact CD2-CB 4.48Å; L268-V437 HydrophobicContact CD2-CG1 3.78Å; L268-V437 WeakPolarHBondContact CD2-O 3.45Å; L268-I473 HydrophobicContact CD2-CD1 4.18Å
269L94.8Very high92.4Very high1 Ų131.3 Ų31.31%0.00516%0.158CC..Hα-helixtrans-60.1-35.5175.4-77171.4000112.3T246 I247 H265 M266 F273 I473T246-L269 HydrophobicContact CG2-CD1 3.55Å; I247-L269 HydrophobicContact CD1-CB 4.3Å; I247-L269 HydrophobicContact CG1-CB 4.34Å; H265-L269 WeakPolarHBondContact O-CB 3.3Å; H265-L269 WeakPolarHBondContact O-CG 3.39Å; H265-L269 PolarHBondContact O-N 2.97Å; M266-L269 HydrophobicContact CE-CD1 3.99Å; M266-L269 HydrophobicContact SD-CD1 4.32Å; L269-F273 WeakPolarHBondContact O-CB 3.26Å; L269-F273 PolarHBondContact O-N 3.27Å; L269-I473 HydrophobicContact CD1-CG2 4.49Å; L269-I473 HydrophobicContact CD2-CB 4.11Å; L269-I473 HydrophobicContact CD2-CG2 3.72Å; L269-I473 HydrophobicContact CG-CG2 4.18Å
270S95Very high92.9Very high35 Ų3528.3 Ų28.325%0.24514%0.141CC..Hα-helixtrans-67.1-40.7174.6-57.50000111.3M266 N267 L268 F273 L274M266-S270 WeakPolarHBondContact O-CB 3.07Å; M266-S270 PolarHBondContact O-N 3.34Å; M266-S270 PolarHBondContact O-OG 3.31Å; N267-S270 WeakPolarHBondContact O-CB 3.02Å; N267-S270 PolarHBondContact O-N 3Å; N267-S270 VanDerWaalsContact O-N 3.16Å; L268-S270 PolarHBondContact O-N 2.72Å; S270-F273 PolarHBondContact O-N 3.43Å; S270-L274 VanDerWaalsContact O-CG 3.28Å; S270-L274 WeakPolarHBondContact O-CG 3.13Å; S270-L274 PolarHBondContact O-N 3.3Å
271A96.5Very high93.3Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-64.8-43.7174.700000111.9N267 L268 F273 L274 L275 A307 C308 W343N267-A271 PolarHBondContact O-N 2.95Å; L268-A271 WeakPolarHBondContact O-CB 3.2Å; L268-A271 PolarHBondContact O-N 2.98Å; L268-A271 VanDerWaalsContact O-N 3.09Å; A271-F273 PolarHBondContact O-N 3.35Å; A271-L274 PolarHBondContact O-N 2.91Å; A271-L275 WeakPolarHBondContact O-CB 3.28Å; A271-L275 PolarHBondContact O-N 2.88Å; A271-A307 HydrophobicContact CB-CB 4.27Å; A271-C308 PolarHBondContact O-SG 3.39Å; A271-W343 HydrophobicContact CB-CH2 3.97Å; A271-W343 HydrophobicContact CB-CZ3 4.44Å
272V95.5Very high93.2Very high4 Ų426.9 Ų26.92%0.02414%0.137CC..Hα-helixtrans-61.6-44.1176174.60000110.8L268 L274 L275 D276L268-V272 HydrophobicContact CD1-CG2 4.44Å; L268-V272 HydrophobicContact CG-CG2 4.49Å; L268-V272 WeakPolarHBondContact O-CG2 3.12Å; L268-V272 PolarHBondContact O-N 2.86Å; V272-L274 PolarHBondContact O-N 3.01Å; V272-L275 WeakPolarHBondContact O-CB 3.15Å; V272-L275 PolarHBondContact O-N 2.99Å; V272-D276 PolarHBondContact O-N 3.4Å
273F96.6Very high93Very high63 Ų6328.8 Ų28.828%0.27615%0.146SC..Hα-helixtrans-58.7-45.6174.2170.6-102.6000112.4A240 C243 V244 L269 S270 A271 L275 D276 V277A240-F273 HydrophobicContact CB-CD2 4.14Å; A240-F273 HydrophobicContact CB-CE2 4.37Å; C243-F273 HydrophobicContact CB-CB 3.95Å; C243-F273 HydrophobicContact CB-CD2 4.48Å; V244-F273 HydrophobicContact CG2-CD2 3.79Å; V244-F273 HydrophobicContact CG2-CE2 3.41Å; V244-F273 VanDerWaalsContact CG2-CE2 3.41Å; V244-F273 HydrophobicContact CG2-CZ 4.09Å; L269-F273 WeakPolarHBondContact O-CB 3.26Å; L269-F273 PolarHBondContact O-N 3.27Å; S270-F273 PolarHBondContact O-N 3.43Å; A271-F273 PolarHBondContact O-N 3.35Å; F273-L275 VanDerWaalsContact C-N 3.29Å; F273-L275 PolarHBondContact O-N 3.02Å; F273-D276 PolarHBondContact O-N 3.45Å; F273-V277 HydrophobicContact CD2-CG2 4.04Å; F273-V277 HydrophobicContact CE1-CG2 4.12Å; F273-V277 HydrophobicContact CE2-CG2 3.57Å; F273-V277 HydrophobicContact CZ-CG2 3.62Å; F273-V277 WeakPolarHBondContact O-CB 3.35Å; F273-V277 WeakPolarHBondContact O-CG2 3.34Å; F273-V277 PolarHBondContact O-N 2.96Å
274L96.3Very high92.9Very high44 Ų4429.3 Ų29.323%0.2315%0.154CC..Hα-helixtrans-62.8-38.7176.9-69.4174.4000111.5S270 A271 V272 S278 F300 F303 S304 W343S270-L274 VanDerWaalsContact O-CG 3.28Å; S270-L274 WeakPolarHBondContact O-CG 3.13Å; S270-L274 PolarHBondContact O-N 3.3Å; A271-L274 PolarHBondContact O-N 2.91Å; V272-L274 PolarHBondContact O-N 3.01Å; L274-S278 VanDerWaalsContact O-CB 3.23Å; L274-S278 WeakPolarHBondContact O-CB 3.32Å; L274-S278 PolarHBondContact O-N 2.91Å; L274-S278 PolarHBondContact O-OG 2.87Å; L274-F300 HydrophobicContact CD2-CZ 4Å; L274-F303 HydrophobicContact CD1-CE1 4.4Å; L274-S304 PolarHBondContact O-OG 3.31Å; L274-W343 HydrophobicContact CD1-CH2 3.71Å; L274-W343 HydrophobicContact CD1-CZ3 3.66Å
275L96Very high92.7Very high26 Ų2630.8 Ų30.814%0.13616%0.163CC..Hα-helixtrans-63.6-49.2175.9177.862.7000111.4A271 V272 F273 V277 S278 F279 L301 L305 C308 W442A271-L275 WeakPolarHBondContact O-CB 3.28Å; A271-L275 PolarHBondContact O-N 2.88Å; V272-L275 WeakPolarHBondContact O-CB 3.15Å; V272-L275 PolarHBondContact O-N 2.99Å; F273-L275 VanDerWaalsContact C-N 3.29Å; F273-L275 PolarHBondContact O-N 3.02Å; L275-V277 PolarHBondContact O-N 3.4Å; L275-S278 PolarHBondContact O-N 3.28Å; L275-F279 WeakPolarHBondContact O-CB 3.25Å; L275-F279 PolarHBondContact O-N 3.14Å; L275-L301 HydrophobicContact CD1-CD1 3.91Å; L275-L305 HydrophobicContact CD1-CB 4.08Å; L275-L305 HydrophobicContact CD2-CD1 4.44Å; L275-C308 HydrophobicContact CD2-CB 4.41Å; L275-W442 HydrophobicContact CD2-CH2 4Å
276D95.2Very high92.2Very high6 Ų630.7 Ų30.73%0.03217%0.165CC..Hα-helixtrans-59.2-48178.5-72.4-33000111.2C236 S239 A240 V272 F273 F279 L280C236-D276 HydrophobicContact CB-CB 4.21Å; C236-D276 PolarHBondContact SG-OD1 3.32Å; S239-D276 WeakPolarHBondContact CB-OD2 3.4Å; S239-D276 PolarHBondContact OG-OD2 3.39Å; A240-D276 HydrophobicContact CB-CB 4.09Å; V272-D276 PolarHBondContact O-N 3.4Å; F273-D276 PolarHBondContact O-N 3.45Å; D276-F279 PolarHBondContact O-N 3.43Å; D276-L280 WeakPolarHBondContact O-CB 3.43Å; D276-L280 VanDerWaalsContact O-CG 3.25Å; D276-L280 WeakPolarHBondContact O-CG 3.43Å; D276-L280 PolarHBondContact O-N 3.02Å
277V94.9Very high91.7Very high42 Ų4235.2 Ų35.226%0.25519%0.189SC..Hα-helixtrans-64-43.8178.3171.70000111.4F273 L275 F279 L280 L281F273-V277 HydrophobicContact CD2-CG2 4.04Å; F273-V277 HydrophobicContact CE1-CG2 4.12Å; F273-V277 HydrophobicContact CE2-CG2 3.57Å; F273-V277 HydrophobicContact CZ-CG2 3.62Å; F273-V277 WeakPolarHBondContact O-CB 3.35Å; F273-V277 WeakPolarHBondContact O-CG2 3.34Å; F273-V277 PolarHBondContact O-N 2.96Å; L275-V277 PolarHBondContact O-N 3.4Å; V277-F279 VanDerWaalsContact C-N 3.28Å; V277-F279 PolarHBondContact O-N 3.23Å; V277-L280 PolarHBondContact O-N 3.23Å; V277-L281 HydrophobicContact CG1-CD1 3.79Å; V277-L281 HydrophobicContact CG1-CG 4.39Å; V277-L281 WeakPolarHBondContact O-CB 3.28Å; V277-L281 VanDerWaalsContact O-CG 3.26Å; V277-L281 WeakPolarHBondContact O-CG 3.31Å; V277-L281 PolarHBondContact O-N 2.97Å
278S93.8Very high91.2Very high1 Ų137.9 Ų37.91%0.00721%0.207CC..Hα-helixtrans-60.2-41177.4-59.90000111.7L274 L275 L281 S282 F300 L301 S304L274-S278 VanDerWaalsContact O-CB 3.23Å; L274-S278 WeakPolarHBondContact O-CB 3.32Å; L274-S278 PolarHBondContact O-N 2.91Å; L274-S278 PolarHBondContact O-OG 2.87Å; L275-S278 PolarHBondContact O-N 3.28Å; S278-L281 PolarHBondContact O-N 3.44Å; S278-S282 PolarHBondContact O-N 3.42Å; S278-S282 VanDerWaalsContact O-N 3.15Å; S278-S282 PolarHBondContact O-OG 3.4Å; S278-F300 WeakPolarHBondContact OG-CD1 3.4Å; S278-F300 WeakPolarHBondContact OG-CE1 3.47Å; S278-L301 VanDerWaalsContact CB-CD1 3.49Å; S278-S304 PolarHBondContact OG-OG 3.31Å
279F91.4Very high90.5Very high69 Ų6941 Ų4130%0.30324%0.239SC..Hα-helixtrans-67.7-46.6-179.6-179.6-101.2000110.8L275 D276 V277 L281 S282 L301L275-F279 WeakPolarHBondContact O-CB 3.25Å; L275-F279 PolarHBondContact O-N 3.14Å; D276-F279 PolarHBondContact O-N 3.43Å; V277-F279 VanDerWaalsContact C-N 3.28Å; V277-F279 PolarHBondContact O-N 3.23Å; F279-L281 PolarHBondContact O-N 3.39Å; F279-S282 WeakPolarHBondContact O-CB 3.49Å; F279-S282 PolarHBondContact O-N 3.16Å; F279-S282 VanDerWaalsContact O-N 3.14Å; F279-L301 HydrophobicContact CB-CD1 3.92Å
280L91.9Very high90.1Very high31 Ų3143.6 Ų43.616%0.16226%0.257CS..Hα-helixtrans-61.4-30.2176.7-69.3171.6000113.2Y233 C236 V237 D276 V277 P284Y233-L280 HydrophobicContact CD1-CD2 4.41Å; Y233-L280 HydrophobicContact CD2-CD2 3.47Å; Y233-L280 VanDerWaalsContact CD2-CD2 3.47Å; Y233-L280 HydrophobicContact CE1-CD2 4.45Å; Y233-L280 HydrophobicContact CE2-CD2 3.52Å; Y233-L280 HydrophobicContact CG-CD2 3.95Å; C236-L280 HydrophobicContact CB-CD1 4.29Å; C236-L280 HydrophobicContact CB-CD2 4.1Å; C236-L280 HydrophobicContact CB-CG 4.09Å; V237-L280 HydrophobicContact CG2-CD1 3.89Å; V237-L280 HydrophobicContact CG2-CD2 3.95Å; D276-L280 WeakPolarHBondContact O-CB 3.43Å; D276-L280 VanDerWaalsContact O-CG 3.25Å; D276-L280 WeakPolarHBondContact O-CG 3.43Å; D276-L280 PolarHBondContact O-N 3.02Å; V277-L280 PolarHBondContact O-N 3.23Å; L280-P284 WeakPolarHBondContact O-CD 3.44Å; L280-P284 WeakPolarHBondContact O-CG 3.22Å
281L90.9Very high89.6Confident85 Ų8547.8 Ų47.845%0.44527%0.273SS..Hα-helixtrans-82.9-20.4177.9-70.4173.4000113.7V277 S278 F279 E283 P284 V285V277-L281 HydrophobicContact CG1-CD1 3.79Å; V277-L281 HydrophobicContact CG1-CG 4.39Å; V277-L281 WeakPolarHBondContact O-CB 3.28Å; V277-L281 VanDerWaalsContact O-CG 3.26Å; V277-L281 WeakPolarHBondContact O-CG 3.31Å; V277-L281 PolarHBondContact O-N 2.97Å; S278-L281 PolarHBondContact O-N 3.44Å; F279-L281 PolarHBondContact O-N 3.39Å; L281-E283 PolarHBondContact O-N 2.88Å; L281-P284 WeakPolarHBondContact O-CD 3.3Å; L281-V285 HydrophobicContact CB-CG2 4.45Å; L281-V285 VanDerWaalsContact O-CB 3.26Å; L281-V285 WeakPolarHBondContact O-CB 3.29Å; L281-V285 WeakPolarHBondContact O-CG2 3.41Å; L281-V285 PolarHBondContact O-N 3.03Å
282S86.6Confident89.3Confident2 Ų250.7 Ų50.71%0.01430%0.297CS..Hα-helixtrans-64-39.3-170.6-67.30000113.4S278 F279 A286 L301S278-S282 PolarHBondContact O-N 3.42Å; S278-S282 VanDerWaalsContact O-N 3.15Å; S278-S282 PolarHBondContact O-OG 3.4Å; F279-S282 WeakPolarHBondContact O-CB 3.49Å; F279-S282 PolarHBondContact O-N 3.16Å; F279-S282 VanDerWaalsContact O-N 3.14Å; S282-A286 WeakPolarHBondContact O-CB 3.37Å; S282-A286 PolarHBondContact O-N 3.25Å; S282-L301 WeakPolarHBondContact OG-CD2 3.33Å
283E83.6Confident89.1Confident77 Ų7752.2 Ų52.236%0.3631%0.31SS..Hα-helixtrans-75.8-49.7177.3176176.3-165.500112.6L281 V285 A286 L287L281-E283 PolarHBondContact O-N 2.88Å; E283-V285 VanDerWaalsContact C-N 3.27Å; E283-V285 PolarHBondContact O-N 3.44Å; E283-A286 WeakPolarHBondContact O-CB 3.49Å; E283-A286 PolarHBondContact O-N 2.84Å; E283-A286 VanDerWaalsContact O-N 3.11Å; E283-L287 PolarHBondContact O-N 3.33Å; E283-L287 VanDerWaalsContact O-N 3.13Å
284P87Confident88.7Confident65 Ų6549.4 Ų49.442%0.42230%0.298SS..Hα-helixtrans-55.1-40.4173.2-2733.7000113.6L280 L281 L287 T288L280-P284 WeakPolarHBondContact O-CD 3.44Å; L280-P284 WeakPolarHBondContact O-CG 3.22Å; L281-P284 WeakPolarHBondContact O-CD 3.3Å; P284-L287 PolarHBondContact O-N 3.21Å; P284-T288 PolarHBondContact O-N 3.39Å
285V87.5Confident88.5Confident31 Ų3150.5 Ų50.519%0.18830%0.299CS..Hα-helixtrans-67.9-39.1178.4172.40000111.1L281 E283 L287 T288 A293L281-V285 HydrophobicContact CB-CG2 4.45Å; L281-V285 VanDerWaalsContact O-CB 3.26Å; L281-V285 WeakPolarHBondContact O-CB 3.29Å; L281-V285 WeakPolarHBondContact O-CG2 3.41Å; L281-V285 PolarHBondContact O-N 3.03Å; E283-V285 VanDerWaalsContact C-N 3.27Å; E283-V285 PolarHBondContact O-N 3.44Å; V285-L287 PolarHBondContact O-N 3.11Å; V285-T288 WeakPolarHBondContact O-CB 3.27Å; V285-T288 PolarHBondContact O-N 2.93Å; V285-T288 VanDerWaalsContact O-N 3.13Å; V285-T288 PolarHBondContact O-OG1 3.08Å; V285-A293 VanDerWaalsContact CG1-C 3.5Å; V285-A293 HydrophobicContact CG1-CB 3.76Å; V285-A293 WeakPolarHBondContact CG1-O 3.43Å
286A81.9Confident88.3Confident13 Ų1353.7 Ų53.711%0.10732%0.32CS..Hα-helixtrans-63.3-31.7176.700000112.8S282 E283 T288 G289 S379 C381S282-A286 WeakPolarHBondContact O-CB 3.37Å; S282-A286 PolarHBondContact O-N 3.25Å; E283-A286 WeakPolarHBondContact O-CB 3.49Å; E283-A286 PolarHBondContact O-N 2.84Å; E283-A286 VanDerWaalsContact O-N 3.11Å; A286-T288 VanDerWaalsContact C-N 3.29Å; A286-T288 PolarHBondContact O-N 2.91Å; A286-G289 PolarHBondContact O-N 3.44Å; A286-S379 WeakPolarHBondContact CB-O 3.41Å; A286-S379 VanDerWaalsContact CB-OG 3.29Å; A286-S379 WeakPolarHBondContact CB-OG 3.48Å; A286-C381 VanDerWaalsContact CB-SG 3.59Å
287L81.9Confident88.2Confident108 Ų10854.1 Ų54.157%0.56532%0.323SS*.Hα-helixtrans-70.5-20.7175.8-69.3170.7000113.6E283 P284 V285 G289E283-L287 PolarHBondContact O-N 3.33Å; E283-L287 VanDerWaalsContact O-N 3.13Å; P284-L287 PolarHBondContact O-N 3.21Å; V285-L287 PolarHBondContact O-N 3.11Å; L287-G289 PolarHBondContact O-N 2.95Å
288T84Confident88Confident91 Ų9152.1 Ų52.156%0.55831%0.311SS*.THydrogen-bonded Turntrans-68.2-15.3177.767.80000113.4P284 V285 A286 S290P284-T288 PolarHBondContact O-N 3.39Å; V285-T288 WeakPolarHBondContact O-CB 3.27Å; V285-T288 PolarHBondContact O-N 2.93Å; V285-T288 VanDerWaalsContact O-N 3.13Å; V285-T288 PolarHBondContact O-OG1 3.08Å; A286-T288 VanDerWaalsContact C-N 3.29Å; A286-T288 PolarHBondContact O-N 2.91Å; T288-S290 PolarHBondContact O-N 3.41Å
289G78.4Confident88Confident67 Ų6754.4 Ų54.469%0.69132%0.322SS*.  trans71.41.4-178.700000114.9A286 L287 E291A286-G289 PolarHBondContact O-N 3.44Å; L287-G289 PolarHBondContact O-N 2.95Å; G289-E291 PolarHBondContact O-N 3.31Å
290S86.4Confident88.1Confident55 Ų5555.1 Ų55.139%0.38533%0.326SS..  trans-82.7113.5177.7178.40000111.2T288 A292 A293 C294T288-S290 PolarHBondContact O-N 3.41Å; S290-A292 VanDerWaalsContact C-N 3.28Å; S290-A292 PolarHBondContact O-N 3.43Å; S290-A293 PolarHBondContact O-N 2.82Å; S290-A293 PolarHBondContact OG-N 3.42Å; S290-C294 PolarHBondContact O-N 2.98Å
291E86.1Confident88.2Confident123 Ų12353.9 Ų53.958%0.57532%0.319SS*.Hα-helixtrans-56.9-42.2176.4-69.3-169.3-174.700112.3G289 C294 R295G289-E291 PolarHBondContact O-N 3.31Å; E291-C294 PolarHBondContact O-N 3.13Å; E291-R295 WeakPolarHBondContact O-CG 3.39Å; E291-R295 PolarHBondContact O-N 3.38Å; E291-R295 IonicContact OE2-CZ 2.66Å; E291-R295 IonicContact OE2-NH1 2.75Å; E291-R295 IonicContact OE2-NH2 2.78Å; E291-R295 PolarHBondContact OE2-NH2 2.92Å
292A89.3Confident88.4Confident61 Ų6149.8 Ų49.850%0.50430%0.298SS..Hα-helixtrans-65-45.7-179.200000111.3S290 C294 R295 T296S290-A292 VanDerWaalsContact C-N 3.28Å; S290-A292 PolarHBondContact O-N 3.43Å; A292-C294 VanDerWaalsContact C-N 3.3Å; A292-C294 PolarHBondContact O-N 3.46Å; A292-R295 PolarHBondContact O-N 3.28Å; A292-T296 PolarHBondContact O-N 3.04Å; A292-T296 PolarHBondContact O-OG1 3.39Å; A292-T296 VanDerWaalsContact O-OG1 3.1Å
293A90.8Very high88.9Confident36 Ų3651.4 Ų51.430%0.29831%0.305SS..Hα-helixtrans-61.8-41177.900000111.4V285 S290 T296 S297V285-A293 VanDerWaalsContact CG1-C 3.5Å; V285-A293 HydrophobicContact CG1-CB 3.76Å; V285-A293 WeakPolarHBondContact CG1-O 3.43Å; S290-A293 PolarHBondContact O-N 2.82Å; S290-A293 PolarHBondContact OG-N 3.42Å; A293-T296 PolarHBondContact O-N 3.5Å; A293-S297 WeakPolarHBondContact O-CB 3.34Å; A293-S297 PolarHBondContact O-N 2.87Å
294C89.4Confident89.5Confident4 Ų447.7 Ų47.73%0.02729%0.287CS..Hα-helixtrans-65.8-42.9177.8-168.90000112.4S290 E291 A292 T296 S297 A298 C381S290-C294 PolarHBondContact O-N 2.98Å; E291-C294 PolarHBondContact O-N 3.13Å; A292-C294 VanDerWaalsContact C-N 3.3Å; A292-C294 PolarHBondContact O-N 3.46Å; C294-T296 PolarHBondContact O-N 2.81Å; C294-S297 PolarHBondContact O-N 3.41Å; C294-A298 WeakPolarHBondContact O-CB 3.31Å; C294-A298 PolarHBondContact O-N 3.03Å; C294-C381 WeakPolarHBondContact CA-SG 3.38Å; C294-C381 HydrophobicContact CB-CB 4.15Å; C294-C381 WeakPolarHBondContact CB-SG 3.34Å; C294-C381 WeakPolarHBondContact O-CB 3.31Å; C294-C381 WeakPolarHBondContact SG-CA 3.49Å; C294-C381 WeakPolarHBondContact SG-CB 3.44Å; C294-C381 CovalentContact SG-SG 2.03Å; C294-C381 PolarHBondContact SG-SG 3.23Å
295R91.3Very high89.9Confident67 Ų6745.8 Ų45.825%0.25327%0.273SS..Hα-helixtrans-59.3-47.5173.8-73.6-178.9-170.5134.515.8111.5E291 A292 S297 A298 M299 Y361E291-R295 WeakPolarHBondContact O-CG 3.39Å; E291-R295 PolarHBondContact O-N 3.38Å; E291-R295 IonicContact OE2-CZ 2.66Å; E291-R295 IonicContact OE2-NH1 2.75Å; E291-R295 IonicContact OE2-NH2 2.78Å; E291-R295 PolarHBondContact OE2-NH2 2.92Å; A292-R295 PolarHBondContact O-N 3.28Å; R295-S297 PolarHBondContact O-N 2.78Å; R295-A298 PolarHBondContact O-N 2.85Å; R295-M299 VanDerWaalsContact O-CG 3.3Å; R295-M299 WeakPolarHBondContact O-CG 3.04Å; R295-M299 PolarHBondContact O-N 3.41Å; R295-Y361 WeakPolarHBondContact CG-O 3.49Å
296T92.2Very high90.3Very high94 Ų9444.3 Ų44.358%0.57726%0.264SS*.Hα-helixtrans-62.9-42.7178.7-57.40000112A292 A293 C294 M299 F300A292-T296 PolarHBondContact O-N 3.04Å; A292-T296 PolarHBondContact O-OG1 3.39Å; A292-T296 VanDerWaalsContact O-OG1 3.1Å; A293-T296 PolarHBondContact O-N 3.5Å; C294-T296 PolarHBondContact O-N 2.81Å; T296-M299 PolarHBondContact O-N 3.45Å; T296-F300 WeakPolarHBondContact O-CB 3.22Å; T296-F300 PolarHBondContact O-N 3.48Å
297S92.2Very high91Very high14 Ų1443.7 Ų43.710%0.09826%0.259CS..Hα-helixtrans-62.8-43.5176.5-179.60000111.9A293 C294 R295 M299 F300 L301A293-S297 WeakPolarHBondContact O-CB 3.34Å; A293-S297 PolarHBondContact O-N 2.87Å; C294-S297 PolarHBondContact O-N 3.41Å; R295-S297 PolarHBondContact O-N 2.78Å; S297-M299 PolarHBondContact O-N 3.32Å; S297-F300 PolarHBondContact O-N 3.13Å; S297-L301 WeakPolarHBondContact O-CB 3.41Å; S297-L301 PolarHBondContact O-N 2.96Å
298A91.6Very high91.6Very high0 Ų038.6 Ų38.60%023%0.233CC..Hα-helixtrans-62.7-42.2176.200000112.4C294 R295 F300 L301 H302 Y361 C381C294-A298 WeakPolarHBondContact O-CB 3.31Å; C294-A298 PolarHBondContact O-N 3.03Å; R295-A298 PolarHBondContact O-N 2.85Å; A298-F300 VanDerWaalsContact C-N 3.34Å; A298-L301 PolarHBondContact O-N 2.98Å; A298-H302 WeakPolarHBondContact O-CB 3.44Å; A298-H302 PolarHBondContact O-N 3.25Å; A298-Y361 HydrophobicContact CB-CD1 3.98Å; A298-Y361 HydrophobicContact CB-CG 4.48Å; A298-C381 HydrophobicContact CB-CB 4.14Å
299M93.4Very high92.2Very high49 Ų4934.4 Ų34.424%0.24121%0.207CC..Hα-helixtrans-62.4-42.2174.5-70.2177.5-169.700111.6R295 T296 S297 H302 F303 V350 A354 V358 Y361R295-M299 VanDerWaalsContact O-CG 3.3Å; R295-M299 WeakPolarHBondContact O-CG 3.04Å; R295-M299 PolarHBondContact O-N 3.41Å; T296-M299 PolarHBondContact O-N 3.45Å; S297-M299 PolarHBondContact O-N 3.32Å; M299-H302 PolarHBondContact O-N 3.13Å; M299-F303 WeakPolarHBondContact O-CB 3.46Å; M299-F303 PolarHBondContact O-N 2.98Å; M299-V350 HydrophobicContact CB-CG1 4.06Å; M299-V350 HydrophobicContact CG-CG1 4.35Å; M299-A354 HydrophobicContact CE-CB 3.94Å; M299-A354 HydrophobicContact SD-CB 4.49Å; M299-V358 HydrophobicContact CE-CG1 4.49Å; M299-Y361 HydrophobicContact CE-CD2 3.81Å; M299-Y361 HydrophobicContact CE-CE2 4.37Å; M299-Y361 HydrophobicContact CE-CG 4.41Å; M299-Y361 HydrophobicContact CG-CD1 4.15Å; M299-Y361 HydrophobicContact CG-CD2 3.78Å; M299-Y361 HydrophobicContact CG-CE1 4.3Å; M299-Y361 HydrophobicContact CG-CE2 3.94Å; M299-Y361 HydrophobicContact CG-CG 3.87Å
300F94.9Very high93Very high84 Ų8431.9 Ų31.937%0.36818%0.179SC..Hα-helixtrans-68.4-38.7-179.9-168.9-117000112.4L274 S278 T296 S297 A298 F303 S304L274-F300 HydrophobicContact CD2-CZ 4Å; S278-F300 WeakPolarHBondContact OG-CD1 3.4Å; S278-F300 WeakPolarHBondContact OG-CE1 3.47Å; T296-F300 WeakPolarHBondContact O-CB 3.22Å; T296-F300 PolarHBondContact O-N 3.48Å; S297-F300 PolarHBondContact O-N 3.13Å; A298-F300 VanDerWaalsContact C-N 3.34Å; F300-F303 HydrophobicContact CD2-CD1 4.14Å; F300-F303 HydrophobicContact CE2-CD1 4.23Å; F300-F303 HydrophobicContact CE2-CE1 4.42Å; F300-F303 PolarHBondContact O-N 3Å; F300-S304 WeakPolarHBondContact O-CB 3.44Å; F300-S304 PolarHBondContact O-N 2.83Å; F300-S304 PolarHBondContact O-OG 3.09Å
301L93.9Very high93.5Very high5 Ų529.3 Ų29.33%0.02616%0.161CC..Hα-helixtrans-64.5-44.7173.1-173.564000111.2L275 S278 F279 S282 S297 A298 S304 L305 M380 W382L275-L301 HydrophobicContact CD1-CD1 3.91Å; S278-L301 VanDerWaalsContact CB-CD1 3.49Å; F279-L301 HydrophobicContact CB-CD1 3.92Å; S282-L301 WeakPolarHBondContact OG-CD2 3.33Å; S297-L301 WeakPolarHBondContact O-CB 3.41Å; S297-L301 PolarHBondContact O-N 2.96Å; A298-L301 PolarHBondContact O-N 2.98Å; L301-S304 PolarHBondContact O-N 3.14Å; L301-L305 WeakPolarHBondContact O-CB 3.47Å; L301-L305 PolarHBondContact O-N 2.89Å; L301-M380 HydrophobicContact CD2-CE 3.87Å; L301-W382 HydrophobicContact CB-CE3 4.22Å; L301-W382 HydrophobicContact CB-CZ3 3.81Å; L301-W382 HydrophobicContact CD2-CD2 4.43Å; L301-W382 HydrophobicContact CD2-CE3 3.36Å; L301-W382 HydrophobicContact CD2-CH2 4.44Å; L301-W382 HydrophobicContact CD2-CZ3 3.4Å; L301-W382 VanDerWaalsContact CD2-CZ3 3.4Å; L301-W382 HydrophobicContact CG-CE3 3.85Å; L301-W382 HydrophobicContact CG-CH2 4.31Å; L301-W382 HydrophobicContact CG-CZ3 3.36Å
302H94.7Very high94Very high0 Ų023.5 Ų23.50%013%0.133CC..Hα-helixtrans-63.4-44.1176.8-172.2-166.2000111.4A298 M299 S304 L305 L306 V350 Y361 W382 T392 N393A298-H302 WeakPolarHBondContact O-CB 3.44Å; A298-H302 PolarHBondContact O-N 3.25Å; M299-H302 PolarHBondContact O-N 3.13Å; H302-S304 PolarHBondContact O-N 3.27Å; H302-L305 PolarHBondContact O-N 2.83Å; H302-L306 WeakPolarHBondContact O-CG 3.42Å; H302-L306 PolarHBondContact O-N 3.46Å; H302-V350 HydrophobicContact CB-CG2 4.31Å; H302-Y361 HydrophobicContact CB-CE1 4.02Å; H302-Y361 AromaticContact ND1-CE1 3.49Å; H302-Y361 WeakPolarHBondContact ND1-CE1 3.46Å; H302-Y361 AromaticContact ND1-CZ 3.58Å; H302-Y361 PolarHBondContact ND1-OH 2.92Å; H302-W382 HydrophobicContact CB-CZ3 4.33Å; H302-T392 PolarHBondContact CE1-OG1 2.84Å; H302-T392 PolarHBondContact NE2-OG1 2.89Å; H302-T392 VanDerWaalsContact NE2-OG1 3.13Å; H302-N393 PolarHBondContact CD2-OD1 3.47Å; H302-N393 PolarHBondContact NE2-OD1 2.91Å
303F96.5Very high94.3Very high35 Ų3521.2 Ų21.215%0.15412%0.115CC..Hα-helixtrans-56.6-49.2173.8160.9-106000111.7L274 M299 F300 L305 L306 A307 W343 P346 V347 V350L274-F303 HydrophobicContact CD1-CE1 4.4Å; M299-F303 WeakPolarHBondContact O-CB 3.46Å; M299-F303 PolarHBondContact O-N 2.98Å; F300-F303 HydrophobicContact CD2-CD1 4.14Å; F300-F303 HydrophobicContact CE2-CD1 4.23Å; F300-F303 HydrophobicContact CE2-CE1 4.42Å; F300-F303 PolarHBondContact O-N 3Å; F303-L305 VanDerWaalsContact C-N 3.32Å; F303-L305 PolarHBondContact O-N 3.23Å; F303-L306 PolarHBondContact O-N 2.81Å; F303-A307 HydrophobicContact CE2-CB 4.49Å; F303-A307 WeakPolarHBondContact O-CB 3.48Å; F303-A307 PolarHBondContact O-N 3.02Å; F303-W343 HydrophobicContact CE1-CZ3 4.41Å; F303-W343 HydrophobicContact CE2-CE3 4.28Å; F303-W343 AromaticContact CZ-CE3 3.68Å; F303-W343 HydrophobicContact CZ-CE3 3.68Å; F303-W343 AromaticContact CZ-CZ3 3.94Å; F303-W343 HydrophobicContact CZ-CZ3 3.94Å; F303-P346 HydrophobicContact CD2-CB 3.68Å; F303-P346 HydrophobicContact CE2-CB 3.89Å; F303-V347 HydrophobicContact CD2-CG2 3.94Å; F303-V347 HydrophobicContact CE2-CG2 3.58Å; F303-V347 HydrophobicContact CZ-CG2 4.46Å; F303-V350 HydrophobicContact CB-CG2 4Å
304S96.3Very high94.5Very high0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-64.4-37.4-177.6-59.20000112.1L274 S278 F300 L301 H302 A307 C308L274-S304 PolarHBondContact O-OG 3.31Å; S278-S304 PolarHBondContact OG-OG 3.31Å; F300-S304 WeakPolarHBondContact O-CB 3.44Å; F300-S304 PolarHBondContact O-N 2.83Å; F300-S304 PolarHBondContact O-OG 3.09Å; L301-S304 PolarHBondContact O-N 3.14Å; H302-S304 PolarHBondContact O-N 3.27Å; S304-A307 PolarHBondContact O-N 3.35Å; S304-C308 PolarHBondContact O-N 3.41Å; S304-C308 PolarHBondContact O-SG 2.96Å
305L94.8Very high94.7Very high24 Ų2420.6 Ų20.613%0.12611%0.106CC..Hα-helixtrans-63.2-51.1173.6178.264.3000111.4L275 L301 H302 F303 A307 C308 L309 W382 N393 W442L275-L305 HydrophobicContact CD1-CB 4.08Å; L275-L305 HydrophobicContact CD2-CD1 4.44Å; L301-L305 WeakPolarHBondContact O-CB 3.47Å; L301-L305 PolarHBondContact O-N 2.89Å; H302-L305 PolarHBondContact O-N 2.83Å; F303-L305 VanDerWaalsContact C-N 3.32Å; F303-L305 PolarHBondContact O-N 3.23Å; L305-A307 VanDerWaalsContact C-N 3.27Å; L305-A307 PolarHBondContact O-N 3.27Å; L305-C308 WeakPolarHBondContact O-CB 3.37Å; L305-C308 PolarHBondContact O-N 3.1Å; L305-C308 VanDerWaalsContact O-N 3.15Å; L305-L309 WeakPolarHBondContact O-CG 3.44Å; L305-L309 PolarHBondContact O-N 3.2Å; L305-W382 HydrophobicContact CD2-CH2 3.85Å; L305-W382 HydrophobicContact CD2-CZ2 4.23Å; L305-N393 HydrophobicContact CD2-CB 4.29Å; L305-W442 HydrophobicContact CD1-CH2 4.01Å; L305-W442 HydrophobicContact CD1-CZ3 3.74Å
306L95.9Very high94.8Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-63.3-34.8178.7-65.6179.9000111.9H302 F303 L309 S310 P346 L349 V350 L396H302-L306 WeakPolarHBondContact O-CG 3.42Å; H302-L306 PolarHBondContact O-N 3.46Å; F303-L306 PolarHBondContact O-N 2.81Å; L306-L309 PolarHBondContact O-N 2.98Å; L306-S310 VanDerWaalsContact O-CB 3.3Å; L306-S310 WeakPolarHBondContact O-CB 2.97Å; L306-S310 PolarHBondContact O-N 3.29Å; L306-S310 PolarHBondContact O-OG 3.28Å; L306-P346 HydrophobicContact CB-CB 3.84Å; L306-P346 HydrophobicContact CB-CG 4.2Å; L306-L349 HydrophobicContact CD1-CB 3.83Å; L306-L349 HydrophobicContact CD1-CD1 4.02Å; L306-V350 HydrophobicContact CD1-CG2 3.94Å; L306-L396 HydrophobicContact CD2-CD2 3.6Å
307A97Very high94.8Very high0 Ų017 Ų170%08%0.083CC..Hα-helixtrans-64.5-43.4173.300000111.5A271 F303 S304 L305 L309 S310 W311 W343 P346A271-A307 HydrophobicContact CB-CB 4.27Å; F303-A307 HydrophobicContact CE2-CB 4.49Å; F303-A307 WeakPolarHBondContact O-CB 3.48Å; F303-A307 PolarHBondContact O-N 3.02Å; S304-A307 PolarHBondContact O-N 3.35Å; L305-A307 VanDerWaalsContact C-N 3.27Å; L305-A307 PolarHBondContact O-N 3.27Å; A307-L309 PolarHBondContact O-N 3.4Å; A307-S310 PolarHBondContact O-N 3.23Å; A307-W311 PolarHBondContact O-N 2.94Å; A307-W343 HydrophobicContact CB-CE3 3.99Å; A307-W343 HydrophobicContact CB-CZ3 3.79Å; A307-P346 HydrophobicContact CB-CB 4.31Å; A307-P346 HydrophobicContact CB-CG 4Å
308C95.8Very high94.8Very high1 Ų116.8 Ų16.81%0.0078%0.081CC..Hα-helixtrans-57.7-50173.5-71.60000111.5A271 L275 S304 L305 S310 W311 M312A271-C308 PolarHBondContact O-SG 3.39Å; L275-C308 HydrophobicContact CD2-CB 4.41Å; S304-C308 PolarHBondContact O-N 3.41Å; S304-C308 PolarHBondContact O-SG 2.96Å; L305-C308 WeakPolarHBondContact O-CB 3.37Å; L305-C308 PolarHBondContact O-N 3.1Å; L305-C308 VanDerWaalsContact O-N 3.15Å; C308-S310 VanDerWaalsContact C-N 3.33Å; C308-S310 PolarHBondContact O-N 2.68Å; C308-W311 PolarHBondContact O-N 3.05Å; C308-M312 VanDerWaalsContact O-CG 3.29Å; C308-M312 WeakPolarHBondContact O-CG 3.37Å; C308-M312 PolarHBondContact O-N 3.03Å
309L95.5Very high94.7Very high4 Ų417.4 Ų17.42%0.0218%0.084CC..Hα-helixtrans-60.1-42.9177.9-65.8-179000111.9L305 L306 A307 M312 G313 L396 F397L305-L309 WeakPolarHBondContact O-CG 3.44Å; L305-L309 PolarHBondContact O-N 3.2Å; L306-L309 PolarHBondContact O-N 2.98Å; A307-L309 PolarHBondContact O-N 3.4Å; L309-M312 HydrophobicContact CD2-SD 4.31Å; L309-M312 PolarHBondContact O-N 3.39Å; L309-G313 PolarHBondContact O-N 2.99Å; L309-L396 HydrophobicContact CB-CD2 4.2Å; L309-L396 HydrophobicContact CD1-CD2 4.23Å; L309-L396 HydrophobicContact CD1-CG 4.39Å; L309-F397 HydrophobicContact CD1-CB 4.05Å; L309-F397 HydrophobicContact CD2-CB 4.17Å; L309-F397 HydrophobicContact CD2-CD2 3.65Å; L309-F397 HydrophobicContact CD2-CG 4.35Å
310S96.3Very high94.5Very high13 Ų1318.6 Ų18.69%0.0919%0.086CC..Hα-helixtrans-62.6-46.3178.3-59.50000111L306 A307 C308 G313 L314L306-S310 VanDerWaalsContact O-CB 3.3Å; L306-S310 WeakPolarHBondContact O-CB 2.97Å; L306-S310 PolarHBondContact O-N 3.29Å; L306-S310 PolarHBondContact O-OG 3.28Å; A307-S310 PolarHBondContact O-N 3.23Å; C308-S310 VanDerWaalsContact C-N 3.33Å; C308-S310 PolarHBondContact O-N 2.68Å; S310-G313 PolarHBondContact O-N 3.4Å; S310-L314 WeakPolarHBondContact O-CG 3.46Å; S310-L314 PolarHBondContact O-N 3.4Å
311W96.7Very high94.2Very high2 Ų215.2 Ų15.21%0.0087%0.071CC..Hα-helixtrans-67.1-36.2177.4-79.8108000113V264 N267 L268 A307 C308 G313 L314 E315 W343V264-W311 HydrophobicContact CG1-CE3 3.93Å; V264-W311 HydrophobicContact CG1-CZ3 3.97Å; N267-W311 HydrophobicContact CB-CD2 3.65Å; N267-W311 HydrophobicContact CB-CE3 3.64Å; N267-W311 HydrophobicContact CB-CH2 3.41Å; N267-W311 VanDerWaalsContact CB-CH2 3.41Å; N267-W311 HydrophobicContact CB-CZ2 3.42Å; N267-W311 VanDerWaalsContact CB-CZ2 3.42Å; N267-W311 HydrophobicContact CB-CZ3 3.52Å; N267-W311 VanDerWaalsContact CG-CH2 3.42Å; L268-W311 HydrophobicContact CB-CB 4.18Å; L268-W311 HydrophobicContact CD1-CB 3.75Å; A307-W311 PolarHBondContact O-N 2.94Å; C308-W311 PolarHBondContact O-N 3.05Å; W311-G313 VanDerWaalsContact C-N 3.32Å; W311-G313 PolarHBondContact O-N 3.32Å; W311-L314 HydrophobicContact CD2-CD1 4.28Å; W311-L314 HydrophobicContact CE3-CB 4.25Å; W311-L314 HydrophobicContact CE3-CD1 3.92Å; W311-L314 HydrophobicContact CH2-CD1 4.32Å; W311-L314 HydrophobicContact CZ3-CD1 3.95Å; W311-L314 PolarHBondContact O-N 3.04Å; W311-E315 WeakPolarHBondContact O-CG 3.41Å; W311-E315 PolarHBondContact O-N 3.15Å; W311-W343 AromaticContact CE2-CE2 3.99Å; W311-W343 AromaticContact CE2-NE1 3.71Å; W311-W343 AromaticContact CZ2-CD1 3.67Å; W311-W343 AromaticContact CZ2-NE1 3.36Å; W311-W343 AromaticContact NE1-CD1 3.98Å; W311-W343 AromaticContact NE1-CD2 3.71Å; W311-W343 AromaticContact NE1-CE2 3.32Å; W311-W343 VanDerWaalsContact NE1-CE2 3.32Å; W311-W343 AromaticContact NE1-CZ2 3.6Å; W311-W343 AromaticContact NE1-NE1 3.51Å
312M95.2Very high93.8Very high1 Ų119.9 Ų19.91%0.00510%0.095CC..Hα-helixtrans-60.2-41.3170.6-71.4170179.700111.7L268 C308 L309 E315 G316 V400 N404 W442L268-M312 HydrophobicContact CD1-CG 3.93Å; C308-M312 VanDerWaalsContact O-CG 3.29Å; C308-M312 WeakPolarHBondContact O-CG 3.37Å; C308-M312 PolarHBondContact O-N 3.03Å; L309-M312 HydrophobicContact CD2-SD 4.31Å; L309-M312 PolarHBondContact O-N 3.39Å; M312-E315 WeakPolarHBondContact O-CB 3.07Å; M312-E315 PolarHBondContact O-N 3.2Å; M312-G316 PolarHBondContact O-N 3.12Å; M312-V400 HydrophobicContact CB-CG1 4.23Å; M312-N404 PolarHBondContact O-ND2 3.39Å; M312-N404 PolarHBondContact O-OD1 3.13Å; M312-W442 HydrophobicContact CE-CZ2 4.12Å
313G95.5Very high93.2Very high12 Ų1221.6 Ų21.612%0.12411%0.106CC..Hα-helixtrans-66.3-39.4174.400000112.8L309 S310 W311 E315 G316 Y317L309-G313 PolarHBondContact O-N 2.99Å; S310-G313 PolarHBondContact O-N 3.4Å; W311-G313 VanDerWaalsContact C-N 3.32Å; W311-G313 PolarHBondContact O-N 3.32Å; G313-E315 VanDerWaalsContact C-N 3.31Å; G313-E315 PolarHBondContact O-N 2.92Å; G313-G316 PolarHBondContact O-N 3.04Å; G313-Y317 PolarHBondContact O-N 3.26Å
314L95.4Very high92.6Very high19 Ų1923.2 Ų23.210%0.09912%0.118CC..Hα-helixtrans-67.3-30175.5-68-176000112.8S310 W311 Y317 N318 L338 V341S310-L314 WeakPolarHBondContact O-CG 3.46Å; S310-L314 PolarHBondContact O-N 3.4Å; W311-L314 HydrophobicContact CD2-CD1 4.28Å; W311-L314 HydrophobicContact CE3-CB 4.25Å; W311-L314 HydrophobicContact CE3-CD1 3.92Å; W311-L314 HydrophobicContact CH2-CD1 4.32Å; W311-L314 HydrophobicContact CZ3-CD1 3.95Å; W311-L314 PolarHBondContact O-N 3.04Å; L314-Y317 PolarHBondContact O-N 3.05Å; L314-N318 WeakPolarHBondContact O-CB 3.33Å; L314-N318 PolarHBondContact O-N 3.21Å; L314-L338 HydrophobicContact CD1-CB 4.26Å; L314-L338 HydrophobicContact CD1-CD2 4.39Å; L314-L338 VanDerWaalsContact CD1-O 3.29Å; L314-L338 WeakPolarHBondContact CD1-O 3.36Å; L314-L338 HydrophobicContact CD2-CD2 3.86Å; L314-V341 HydrophobicContact CD2-CG1 4.29Å
315E93.7Very high91.9Very high8 Ų826.1 Ų26.14%0.03713%0.132CC..Hα-helixtrans-63.4-44.9168.7-73.6-73.2-176.900111.4V264 H265 L268 W311 M312 G313 Y317 N318 L319 V437 L438V264-E315 VanDerWaalsContact C-OE1 3.26Å; V264-E315 HydrophobicContact CG1-CG 3.83Å; V264-E315 VanDerWaalsContact CG1-OE1 3.28Å; V264-E315 WeakPolarHBondContact CG1-OE1 3.5Å; H265-E315 VanDerWaalsContact CA-OE1 3.28Å; H265-E315 WeakPolarHBondContact CA-OE1 3.45Å; H265-E315 IonicContact CE1-OE1 3.67Å; H265-E315 PolarHBondContact CE1-OE1 3Å; H265-E315 IonicContact CE1-OE2 3.42Å; H265-E315 PolarHBondContact CE1-OE2 2.03Å; H265-E315 IonicContact CG-OE1 2.7Å; H265-E315 PolarHBondContact N-OE1 3.26Å; H265-E315 VanDerWaalsContact ND1-CD 3.29Å; H265-E315 IonicContact ND1-OE1 3.9Å; H265-E315 PolarHBondContact ND1-OE1 3.2Å; H265-E315 IonicContact ND1-OE2 2.66Å; H265-E315 PolarHBondContact ND1-OE2 3.45Å; L268-E315 HydrophobicContact CD2-CG 4.24Å; W311-E315 WeakPolarHBondContact O-CG 3.41Å; W311-E315 PolarHBondContact O-N 3.15Å; M312-E315 WeakPolarHBondContact O-CB 3.07Å; M312-E315 PolarHBondContact O-N 3.2Å; G313-E315 VanDerWaalsContact C-N 3.31Å; G313-E315 PolarHBondContact O-N 2.92Å; E315-Y317 VanDerWaalsContact C-N 3.28Å; E315-Y317 PolarHBondContact O-N 3.38Å; E315-N318 PolarHBondContact O-N 3.33Å; E315-L319 WeakPolarHBondContact O-CB 3.27Å; E315-L319 PolarHBondContact O-N 3.1Å; E315-V437 HydrophobicContact CB-CG1 4.2Å; E315-V437 HydrophobicContact CG-CG1 3.77Å; E315-L438 HydrophobicContact CB-CD2 4.08Å
316G93.8Very high91Very high0 Ų029.8 Ų29.80%016%0.155CC..Hα-helixtrans-59.1-39.9173.200000112.5M312 G313 L319 Y320 N404M312-G316 PolarHBondContact O-N 3.12Å; G313-G316 PolarHBondContact O-N 3.04Å; G316-L319 WeakPolarHBondContact O-CB 2.99Å; G316-L319 PolarHBondContact O-N 3.47Å; G316-Y320 PolarHBondContact O-N 3.16Å; G316-N404 WeakPolarHBondContact CA-OD1 3.47Å
317Y92.6Very high89.8Confident87 Ų8738.7 Ų38.734%0.34119%0.194SC..Hα-helixtrans-69.9-38.9176.4179.1-108.4000112.1G313 L314 E315 L319 Y320 R321 Y334 L338 F403G313-Y317 PolarHBondContact O-N 3.26Å; L314-Y317 PolarHBondContact O-N 3.05Å; E315-Y317 VanDerWaalsContact C-N 3.28Å; E315-Y317 PolarHBondContact O-N 3.38Å; Y317-L319 VanDerWaalsContact C-N 3.3Å; Y317-L319 PolarHBondContact O-N 2.68Å; Y317-Y320 HydrophobicContact CD2-CD1 4.23Å; Y317-Y320 HydrophobicContact CE2-CD1 4.12Å; Y317-Y320 WeakPolarHBondContact O-CB 3.33Å; Y317-Y320 PolarHBondContact O-N 3Å; Y317-R321 HydrophobicContact CE1-CG 4.2Å; Y317-R321 HydrophobicContact CE2-CG 4.31Å; Y317-R321 WeakPolarHBondContact O-CG 3.06Å; Y317-R321 PolarHBondContact O-N 2.89Å; Y317-Y334 HydrophobicContact CE1-CE2 4.18Å; Y317-L338 HydrophobicContact CD1-CD2 4.18Å; Y317-L338 HydrophobicContact CE1-CD2 4.39Å; Y317-F403 HydrophobicContact CD2-CZ 4.5Å
318N91.3Very high88.4Confident8 Ų841.7 Ų41.74%0.04323%0.225CC..Hα-helixtrans-62.9-40.1174-174.263.6000111.1T261 L314 E315 R321 L322 Y334T261-N318 PolarHBondContact OG1-ND2 3.3Å; T261-N318 VanDerWaalsContact OG1-ND2 3.07Å; L314-N318 WeakPolarHBondContact O-CB 3.33Å; L314-N318 PolarHBondContact O-N 3.21Å; E315-N318 PolarHBondContact O-N 3.33Å; N318-R321 PolarHBondContact O-N 2.77Å; N318-L322 WeakPolarHBondContact O-CG 3.39Å; N318-L322 PolarHBondContact O-N 3.43Å; N318-L322 VanDerWaalsContact O-N 3.12Å; N318-Y334 PolarHBondContact OD1-OH 3.29Å
319L89.3Confident87.2Confident13 Ų1345.3 Ų45.37%0.06825%0.247CC..Hα-helixtrans-63.7-41.1173.6-174.1165.3000111.6E315 G316 Y317 R321 L322 V323 M407 M411 L438E315-L319 WeakPolarHBondContact O-CB 3.27Å; E315-L319 PolarHBondContact O-N 3.1Å; G316-L319 WeakPolarHBondContact O-CB 2.99Å; G316-L319 PolarHBondContact O-N 3.47Å; Y317-L319 VanDerWaalsContact C-N 3.3Å; Y317-L319 PolarHBondContact O-N 2.68Å; L319-R321 PolarHBondContact O-N 2.89Å; L319-L322 PolarHBondContact O-N 3.34Å; L319-V323 HydrophobicContact CD2-CG2 4.11Å; L319-V323 WeakPolarHBondContact O-CG2 3.1Å; L319-V323 PolarHBondContact O-N 3.42Å; L319-M407 HydrophobicContact CD2-CB 4.19Å; L319-M407 HydrophobicContact CD2-CE 4Å; L319-M407 WeakPolarHBondContact CD2-O 3.46Å; L319-M411 HydrophobicContact CD1-SD 3.57Å; L319-M411 VanDerWaalsContact CD1-SD 3.57Å; L319-M411 HydrophobicContact CD2-CB 3.78Å; L319-M411 HydrophobicContact CD2-CG 4.43Å; L319-M411 HydrophobicContact CD2-SD 4.04Å; L319-M411 HydrophobicContact CG-SD 3.75Å; L319-L438 HydrophobicContact CD1-CD1 4.04Å
320Y89Confident86.2Confident75 Ų7553.1 Ų53.129%0.29428%0.278SS..Hα-helixtrans-54.9-50.6172.5169.4-99.1000112.6G316 Y317 L322 V323 V324 E325 M407G316-Y320 PolarHBondContact O-N 3.16Å; Y317-Y320 HydrophobicContact CD2-CD1 4.23Å; Y317-Y320 HydrophobicContact CE2-CD1 4.12Å; Y317-Y320 WeakPolarHBondContact O-CB 3.33Å; Y317-Y320 PolarHBondContact O-N 3Å; Y320-L322 VanDerWaalsContact C-N 3.28Å; Y320-L322 PolarHBondContact O-N 3.28Å; Y320-V323 PolarHBondContact O-N 3.41Å; Y320-V324 HydrophobicContact CD2-CB 3.9Å; Y320-V324 HydrophobicContact CD2-CG1 4.42Å; Y320-V324 HydrophobicContact CD2-CG2 3.76Å; Y320-V324 HydrophobicContact CE2-CB 3.69Å; Y320-V324 HydrophobicContact CE2-CG1 3.73Å; Y320-V324 HydrophobicContact CE2-CG2 3.89Å; Y320-V324 WeakPolarHBondContact O-CB 3.37Å; Y320-V324 PolarHBondContact O-N 3.27Å; Y320-E325 HydrophobicContact CE1-CG 3.91Å; Y320-E325 WeakPolarHBondContact CE1-OE1 3.45Å; Y320-M407 HydrophobicContact CD2-CE 3.65Å; Y320-M407 HydrophobicContact CD2-SD 3.72Å; Y320-M407 HydrophobicContact CG-CE 3.94Å; Y320-M407 HydrophobicContact CG-SD 4.13Å
321R88.2Confident85.4Confident13 Ų1354.5 Ų54.55%0.04929%0.285CS..Hα-helixtrans-64.1-34.4-179.8-65.6-169.869.9-137-3.2112.6Y317 N318 L319 E325 T329 Y334Y317-R321 HydrophobicContact CE1-CG 4.2Å; Y317-R321 HydrophobicContact CE2-CG 4.31Å; Y317-R321 WeakPolarHBondContact O-CG 3.06Å; Y317-R321 PolarHBondContact O-N 2.89Å; N318-R321 PolarHBondContact O-N 2.77Å; L319-R321 PolarHBondContact O-N 2.89Å; R321-E325 IonicContact NE-OE2 3.55Å; R321-E325 PolarHBondContact NE-OE2 3.4Å; R321-E325 CarbonylContact O-C 3.59Å; R321-E325 PolarHBondContact O-N 2.9Å; R321-T329 VanDerWaalsContact NH2-C 3.32Å; R321-T329 PolarHBondContact NH2-O 3.46Å; R321-Y334 VanDerWaalsContact NH1-CD2 3.31Å
322L85.2Confident84.7Confident103 Ų10358.5 Ų58.554%0.53931%0.311SS..Hα-helixtrans-70.8-34.2177.8-73.2169.3000113.4N318 L319 Y320N318-L322 WeakPolarHBondContact O-CG 3.39Å; N318-L322 PolarHBondContact O-N 3.43Å; N318-L322 VanDerWaalsContact O-N 3.12Å; L319-L322 PolarHBondContact O-N 3.34Å; Y320-L322 VanDerWaalsContact C-N 3.28Å; Y320-L322 PolarHBondContact O-N 3.28Å
323V83.7Confident84.2Confident35 Ų3560.6 Ų60.621%0.21233%0.334CS..Hα-helixtrans-98-40.5-172175.10000112.6L319 Y320 M411 Q414L319-V323 HydrophobicContact CD2-CG2 4.11Å; L319-V323 WeakPolarHBondContact O-CG2 3.1Å; L319-V323 PolarHBondContact O-N 3.42Å; Y320-V323 PolarHBondContact O-N 3.41Å; V323-M411 HydrophobicContact CG2-CB 4.17Å; V323-M411 HydrophobicContact CG2-CG 4.12Å; V323-Q414 HydrophobicContact CG1-CB 4.05Å; V323-Q414 HydrophobicContact CG1-CG 3.68Å
324V82.5Confident83.8Confident69 Ų6960.5 Ų60.542%0.41833%0.33SS..THydrogen-bonded Turntrans-98.4-43.6-172.3-176.40000111.4Y320 V326Y320-V324 HydrophobicContact CD2-CB 3.9Å; Y320-V324 HydrophobicContact CD2-CG1 4.42Å; Y320-V324 HydrophobicContact CD2-CG2 3.76Å; Y320-V324 HydrophobicContact CE2-CB 3.69Å; Y320-V324 HydrophobicContact CE2-CG1 3.73Å; Y320-V324 HydrophobicContact CE2-CG2 3.89Å; Y320-V324 WeakPolarHBondContact O-CB 3.37Å; Y320-V324 PolarHBondContact O-N 3.27Å; V324-V326 PolarHBondContact O-N 3.32Å
325E81.7Confident83.4Confident62 Ų6261.5 Ų61.529%0.2934%0.335SS..  trans-90.667-179.6-63.9-176.4170.200112Y320 R321 F327Y320-E325 HydrophobicContact CE1-CG 3.91Å; Y320-E325 WeakPolarHBondContact CE1-OE1 3.45Å; R321-E325 IonicContact NE-OE2 3.55Å; R321-E325 PolarHBondContact NE-OE2 3.4Å; R321-E325 CarbonylContact O-C 3.59Å; R321-E325 PolarHBondContact O-N 2.9Å; E325-F327 PolarHBondContact O-N 3.31Å; E325-F327 VanDerWaalsContact O-N 3.16Å
326V75.7Confident83.3Confident100 Ų10066.6 Ų66.661%0.60636%0.362SS*.  trans-64.8-18.6-178.5-64.30000114V324V324-V326 PolarHBondContact O-N 3.32Å
327F71.7Confident83.2Confident188 Ų18872.4 Ų72.483%0.82539%0.387SS*.SBendtrans-114.4136.4176.4-61.3-70.1000110.8E325E325-F327 PolarHBondContact O-N 3.31Å; E325-F327 VanDerWaalsContact O-N 3.16Å
328G68.2Low83.3Confident63 Ų6368.7 Ų68.765%0.64937%0.373SS*.  trans85.932.2173.800000115.9Y330G328-Y330 PolarHBondContact O-N 2.88Å
329T70.5Confident83.4Confident76 Ų7669.8 Ų69.847%0.46638%0.381SS..  trans-67.1-18-176.256.90000114.6R321 V331R321-T329 VanDerWaalsContact NH2-C 3.32Å; R321-T329 PolarHBondContact NH2-O 3.46Å; T329-V331 PolarHBondContact O-N 3.33Å
330Y74.7Confident83.6Confident169 Ų16974.4 Ų74.466%0.66341%0.405SS*.  trans-82.4110179.8-174.4-99.8000112.2G328 P332G328-Y330 PolarHBondContact O-N 2.88Å; Y330-P332 HydrophobicContact CE1-CB 4.47Å
331V78.8Confident83.9Confident42 Ų4274.6 Ų74.626%0.25541%0.414SS..  trans-113.5124167.6176.20000108T329 G333 Y334 K337T329-V331 PolarHBondContact O-N 3.33Å; V331-G333 PolarHBondContact O-N 2.96Å; V331-Y334 HydrophobicContact CB-CD2 4.4Å; V331-Y334 WeakPolarHBondContact O-CB 3Å; V331-Y334 PolarHBondContact O-N 3.12Å; V331-Y334 VanDerWaalsContact O-N 3.13Å; V331-K337 HydrophobicContact CG1-CD 4.4Å
332P81.3Confident84.2Confident85 Ų8574 Ų7455%0.55241%0.411SS*.THydrogen-bonded Turntrans-60.5130.2176.724.5-32.7000110Y330 Y334Y330-P332 HydrophobicContact CE1-CB 4.47Å; P332-Y334 VanDerWaalsContact C-N 3.3Å; P332-Y334 PolarHBondContact O-N 3.38Å
333G84.5Confident84.8Confident46 Ų4671.9 Ų71.947%0.47440%0.396SS..THydrogen-bonded Turntrans68.122.7-178.400000114.9V331 L335 L336 K337V331-G333 PolarHBondContact O-N 2.96Å; G333-L335 VanDerWaalsContact C-N 3.32Å; G333-L335 PolarHBondContact O-N 3.49Å; G333-L336 WeakPolarHBondContact O-CB 3.23Å; G333-L336 PolarHBondContact O-N 3.24Å; G333-K337 PolarHBondContact O-N 2.94Å
334Y87.6Confident85.3Confident10 Ų1071.8 Ų71.84%0.03940%0.402CS..Hα-helixtrans-46-50.7-177.4179.5-121.8000113.8Y260 Y317 N318 R321 V331 P332 L336 K337 L338Y260-Y334 AromaticContact CD1-CD1 3.94Å; Y260-Y334 HydrophobicContact CD1-CD1 3.94Å; Y260-Y334 HydrophobicContact CD2-CD1 4.47Å; Y260-Y334 HydrophobicContact CE1-CD1 4.4Å; Y260-Y334 AromaticContact CG-CD1 3.98Å; Y260-Y334 HydrophobicContact CG-CD1 3.98Å; Y260-Y334 HydrophobicContact CG-CE1 4.41Å; Y317-Y334 HydrophobicContact CE1-CE2 4.18Å; N318-Y334 PolarHBondContact OD1-OH 3.29Å; R321-Y334 VanDerWaalsContact NH1-CD2 3.31Å; V331-Y334 HydrophobicContact CB-CD2 4.4Å; V331-Y334 WeakPolarHBondContact O-CB 3Å; V331-Y334 PolarHBondContact O-N 3.12Å; V331-Y334 VanDerWaalsContact O-N 3.13Å; P332-Y334 VanDerWaalsContact C-N 3.3Å; P332-Y334 PolarHBondContact O-N 3.38Å; Y334-L336 VanDerWaalsContact C-N 3.34Å; Y334-L336 PolarHBondContact O-N 3.33Å; Y334-K337 PolarHBondContact O-N 2.85Å; Y334-L338 HydrophobicContact CD1-CD1 4.18Å; Y334-L338 HydrophobicContact CD2-CG 4.33Å; Y334-L338 HydrophobicContact CE1-CD1 3.58Å; Y334-L338 HydrophobicContact CE1-CG 4.34Å; Y334-L338 HydrophobicContact CE2-CD1 4Å; Y334-L338 HydrophobicContact CE2-CD2 4.08Å; Y334-L338 HydrophobicContact CE2-CG 3.95Å; Y334-L338 VanDerWaalsContact CZ-CD1 3.48Å; Y334-L338 WeakPolarHBondContact O-CG 3.46Å; Y334-L338 PolarHBondContact O-N 3.44Å
335L87.3Confident85.9Confident39 Ų3972.4 Ų72.420%0.20440%0.4CS..Hα-helixtrans-65.1-35.7-180-68167000113.6Y260 K263 G333 L338 S339Y260-L335 HydrophobicContact CD1-CD1 3.78Å; Y260-L335 HydrophobicContact CD1-CD2 3.91Å; Y260-L335 HydrophobicContact CD1-CG 3.61Å; Y260-L335 HydrophobicContact CE1-CD1 3.98Å; Y260-L335 HydrophobicContact CE1-CG 3.99Å; K263-L335 HydrophobicContact CB-CD1 4.29Å; K263-L335 HydrophobicContact CB-CD2 3.85Å; K263-L335 HydrophobicContact CD-CD1 3.28Å; K263-L335 HydrophobicContact CD-CD2 4.34Å; K263-L335 HydrophobicContact CD-CG 4.42Å; K263-L335 HydrophobicContact CG-CD1 4.42Å; G333-L335 VanDerWaalsContact C-N 3.32Å; G333-L335 PolarHBondContact O-N 3.49Å; L335-L338 PolarHBondContact O-N 2.96Å; L335-S339 VanDerWaalsContact O-CB 3.3Å; L335-S339 WeakPolarHBondContact O-CB 3.4Å; L335-S339 PolarHBondContact O-N 3.5Å; L335-S339 PolarHBondContact O-OG 3.31Å
336L91.1Very high86.6Confident116 Ų11669.5 Ų69.561%0.60739%0.386SS*.Hα-helixtrans-67.3-43.7178.2-178.264.2000109.7G333 Y334 L338 S339 I340G333-L336 WeakPolarHBondContact O-CB 3.23Å; G333-L336 PolarHBondContact O-N 3.24Å; Y334-L336 VanDerWaalsContact C-N 3.34Å; Y334-L336 PolarHBondContact O-N 3.33Å; L336-L338 PolarHBondContact O-N 3.29Å; L336-S339 PolarHBondContact O-N 3.28Å; L336-I340 HydrophobicContact CG-CD1 4.14Å; L336-I340 VanDerWaalsContact O-CG1 3.28Å; L336-I340 WeakPolarHBondContact O-CG1 3.43Å; L336-I340 PolarHBondContact O-N 2.84Å
337K93Very high87.6Confident121 Ų12168.2 Ų68.253%0.52638%0.378SS..Hα-helixtrans-59.7-46.6174.3-64.7-178.6-177.5-1770111.4V331 G333 Y334 S339 I340 V341V331-K337 HydrophobicContact CG1-CD 4.4Å; G333-K337 PolarHBondContact O-N 2.94Å; Y334-K337 PolarHBondContact O-N 2.85Å; K337-S339 VanDerWaalsContact C-N 3.34Å; K337-S339 PolarHBondContact O-N 3.16Å; K337-I340 PolarHBondContact O-N 2.97Å; K337-V341 WeakPolarHBondContact O-CG2 3.47Å; K337-V341 PolarHBondContact O-N 2.72Å; K337-V341 VanDerWaalsContact O-N 3.17Å
338L93.2Very high88.8Confident10 Ų1065.4 Ų65.45%0.05237%0.366CS..Hα-helixtrans-60.4-42.3174.8-71.6-170.6000112.3V264 L314 Y317 Y334 L335 L336 V341 G342V264-L338 HydrophobicContact CG2-CD1 3.91Å; L314-L338 HydrophobicContact CD1-CB 4.26Å; L314-L338 HydrophobicContact CD1-CD2 4.39Å; L314-L338 VanDerWaalsContact CD1-O 3.29Å; L314-L338 WeakPolarHBondContact CD1-O 3.36Å; L314-L338 HydrophobicContact CD2-CD2 3.86Å; Y317-L338 HydrophobicContact CD1-CD2 4.18Å; Y317-L338 HydrophobicContact CE1-CD2 4.39Å; Y334-L338 HydrophobicContact CD1-CD1 4.18Å; Y334-L338 HydrophobicContact CD2-CG 4.33Å; Y334-L338 HydrophobicContact CE1-CD1 3.58Å; Y334-L338 HydrophobicContact CE1-CG 4.34Å; Y334-L338 HydrophobicContact CE2-CD1 4Å; Y334-L338 HydrophobicContact CE2-CD2 4.08Å; Y334-L338 HydrophobicContact CE2-CG 3.95Å; Y334-L338 VanDerWaalsContact CZ-CD1 3.48Å; Y334-L338 WeakPolarHBondContact O-CG 3.46Å; Y334-L338 PolarHBondContact O-N 3.44Å; L335-L338 PolarHBondContact O-N 2.96Å; L336-L338 PolarHBondContact O-N 3.29Å; L338-V341 PolarHBondContact O-N 3.2Å; L338-G342 PolarHBondContact O-N 3.17Å
339S93Very high90Very high31 Ų3163.9 Ų63.922%0.21734%0.343CS..Hα-helixtrans-67.1-38.5-179.4-570000112L335 L336 K337 V341 W343L335-S339 VanDerWaalsContact O-CB 3.3Å; L335-S339 WeakPolarHBondContact O-CB 3.4Å; L335-S339 PolarHBondContact O-N 3.5Å; L335-S339 PolarHBondContact O-OG 3.31Å; L336-S339 PolarHBondContact O-N 3.28Å; K337-S339 VanDerWaalsContact C-N 3.34Å; K337-S339 PolarHBondContact O-N 3.16Å; S339-V341 VanDerWaalsContact C-N 3.31Å; S339-V341 PolarHBondContact O-N 3.24Å; S339-W343 WeakPolarHBondContact O-CB 3.29Å; S339-W343 PolarHBondContact O-N 3.05Å
340I94.5Very high91.2Very high110 Ų11060.9 Ų60.956%0.56432%0.324SS*.Hα-helixtrans-60.5-43.1174.3-70164.5000110.4L336 K337 G344L336-I340 HydrophobicContact CG-CD1 4.14Å; L336-I340 VanDerWaalsContact O-CG1 3.28Å; L336-I340 WeakPolarHBondContact O-CG1 3.43Å; L336-I340 PolarHBondContact O-N 2.84Å; K337-I340 PolarHBondContact O-N 2.97Å; I340-G344 WeakPolarHBondContact O-CA 3.23Å; I340-G344 PolarHBondContact O-N 3.32Å
341V95.2Very high92.1Very high79 Ų7956.1 Ų56.148%0.47931%0.313SS..Hα-helixtrans-69.8-52.7177.3176.40000110.7L314 K337 L338 S339 W343 F345L314-V341 HydrophobicContact CD2-CG1 4.29Å; K337-V341 WeakPolarHBondContact O-CG2 3.47Å; K337-V341 PolarHBondContact O-N 2.72Å; K337-V341 VanDerWaalsContact O-N 3.17Å; L338-V341 PolarHBondContact O-N 3.2Å; S339-V341 VanDerWaalsContact C-N 3.31Å; S339-V341 PolarHBondContact O-N 3.24Å; V341-W343 VanDerWaalsContact C-N 3.33Å; V341-W343 PolarHBondContact O-N 2.77Å; V341-F345 WeakPolarHBondContact O-CB 3.22Å; V341-F345 PolarHBondContact O-N 3.29Å; V341-F345 VanDerWaalsContact O-N 3.09Å
342G95Very high92.8Very high0 Ų058.1 Ų58.10%032%0.322CS..Hα-helixtrans-65.1-31-172.900000114.6L338 P346L338-G342 PolarHBondContact O-N 3.17Å; G342-P346 WeakPolarHBondContact O-CD 3.48Å; G342-P346 VanDerWaalsContact O-CG 3.27Å; G342-P346 WeakPolarHBondContact O-CG 3.47Å
343W96.9Very high93.3Very high59 Ų5954.8 Ų54.822%0.22330%0.3CS..Hα-helixtrans-103-37.2177.1-63.9111.7000113N267 A271 L274 F303 A307 W311 S339 V341 P346 V347N267-W343 PolarHBondContact OD1-NE1 3.49Å; A271-W343 HydrophobicContact CB-CH2 3.97Å; A271-W343 HydrophobicContact CB-CZ3 4.44Å; L274-W343 HydrophobicContact CD1-CH2 3.71Å; L274-W343 HydrophobicContact CD1-CZ3 3.66Å; F303-W343 HydrophobicContact CE1-CZ3 4.41Å; F303-W343 HydrophobicContact CE2-CE3 4.28Å; F303-W343 AromaticContact CZ-CE3 3.68Å; F303-W343 HydrophobicContact CZ-CE3 3.68Å; F303-W343 AromaticContact CZ-CZ3 3.94Å; F303-W343 HydrophobicContact CZ-CZ3 3.94Å; A307-W343 HydrophobicContact CB-CE3 3.99Å; A307-W343 HydrophobicContact CB-CZ3 3.79Å; W311-W343 AromaticContact CE2-CE2 3.99Å; W311-W343 AromaticContact CE2-NE1 3.71Å; W311-W343 AromaticContact CZ2-CD1 3.67Å; W311-W343 AromaticContact CZ2-NE1 3.36Å; W311-W343 AromaticContact NE1-CD1 3.98Å; W311-W343 AromaticContact NE1-CD2 3.71Å; W311-W343 AromaticContact NE1-CE2 3.32Å; W311-W343 VanDerWaalsContact NE1-CE2 3.32Å; W311-W343 AromaticContact NE1-CZ2 3.6Å; W311-W343 AromaticContact NE1-NE1 3.51Å; S339-W343 WeakPolarHBondContact O-CB 3.29Å; S339-W343 PolarHBondContact O-N 3.05Å; V341-W343 VanDerWaalsContact C-N 3.33Å; V341-W343 PolarHBondContact O-N 2.77Å; W343-P346 WeakPolarHBondContact O-CD 3.42Å; W343-V347 WeakPolarHBondContact O-CG2 3.48Å; W343-V347 PolarHBondContact O-N 2.6Å
344G95.7Very high93.6Very high33 Ų3353.3 Ų53.334%0.3428%0.283SS..Hα-helixtrans-73.5-38-176.500000113.6I340 V347 F348I340-G344 WeakPolarHBondContact O-CA 3.23Å; I340-G344 PolarHBondContact O-N 3.32Å; G344-V347 PolarHBondContact O-N 2.75Å; G344-F348 WeakPolarHBondContact O-CB 3.1Å; G344-F348 PolarHBondContact O-N 3.26Å
345F95.2Very high93.8Very high82 Ų8259.5 Ų59.536%0.3632%0.316SS..Hα-helixtrans-62.3-46.6177.4175.4-103.1000112.7V341 V347 F348 L349 L396V341-F345 WeakPolarHBondContact O-CB 3.22Å; V341-F345 PolarHBondContact O-N 3.29Å; V341-F345 VanDerWaalsContact O-N 3.09Å; F345-V347 PolarHBondContact O-N 2.87Å; F345-F348 PolarHBondContact O-N 3.24Å; F345-L349 HydrophobicContact CD1-CD1 4.15Å; F345-L349 HydrophobicContact CE1-CD1 3.47Å; F345-L349 VanDerWaalsContact CE1-CD1 3.47Å; F345-L349 HydrophobicContact CE1-CG 4.29Å; F345-L349 HydrophobicContact CE2-CD1 4.12Å; F345-L349 HydrophobicContact CE2-CD2 4.44Å; F345-L349 HydrophobicContact CE2-CG 4.17Å; F345-L349 HydrophobicContact CZ-CD1 3.47Å; F345-L349 VanDerWaalsContact CZ-CD1 3.47Å; F345-L349 HydrophobicContact CZ-CD2 4.42Å; F345-L349 HydrophobicContact CZ-CG 4.03Å; F345-L349 PolarHBondContact O-N 2.81Å; F345-L396 HydrophobicContact CE1-CD1 3.79Å; F345-L396 HydrophobicContact CE1-CD2 3.92Å; F345-L396 HydrophobicContact CZ-CD1 4.22Å
346P96.2Very high94Very high0 Ų063 Ų630%034%0.339CS..Hα-helixtrans-55.6-45.6170.2-2934.8000114.3F303 L306 A307 G342 W343 F348 L349 V350F303-P346 HydrophobicContact CD2-CB 3.68Å; F303-P346 HydrophobicContact CE2-CB 3.89Å; L306-P346 HydrophobicContact CB-CB 3.84Å; L306-P346 HydrophobicContact CB-CG 4.2Å; A307-P346 HydrophobicContact CB-CB 4.31Å; A307-P346 HydrophobicContact CB-CG 4Å; G342-P346 WeakPolarHBondContact O-CD 3.48Å; G342-P346 VanDerWaalsContact O-CG 3.27Å; G342-P346 WeakPolarHBondContact O-CG 3.47Å; W343-P346 WeakPolarHBondContact O-CD 3.42Å; P346-F348 VanDerWaalsContact C-N 3.33Å; P346-F348 PolarHBondContact O-N 3.39Å; P346-L349 PolarHBondContact O-N 2.76Å; P346-V350 WeakPolarHBondContact O-CG2 3.38Å; P346-V350 PolarHBondContact O-N 3.24Å
347V96.4Very high93.8Very high74 Ų7460.8 Ų60.845%0.44833%0.328SS..Hα-helixtrans-60.4-45.1178.4170.60000110.7F303 W343 G344 F345 T351F303-V347 HydrophobicContact CD2-CG2 3.94Å; F303-V347 HydrophobicContact CE2-CG2 3.58Å; F303-V347 HydrophobicContact CZ-CG2 4.46Å; W343-V347 WeakPolarHBondContact O-CG2 3.48Å; W343-V347 PolarHBondContact O-N 2.6Å; G344-V347 PolarHBondContact O-N 2.75Å; F345-V347 PolarHBondContact O-N 2.87Å; V347-T351 VanDerWaalsContact O-CB 3.3Å; V347-T351 WeakPolarHBondContact O-CB 3.41Å; V347-T351 PolarHBondContact O-N 2.89Å; V347-T351 PolarHBondContact O-OG1 2.87Å
348F96Very high93.4Very high128 Ų12858.3 Ų58.356%0.56132%0.322SS*.Hα-helixtrans-59.8-48.3178.1173.7-101.5000111.8G344 F345 P346 T351 L352G344-F348 WeakPolarHBondContact O-CB 3.1Å; G344-F348 PolarHBondContact O-N 3.26Å; F345-F348 PolarHBondContact O-N 3.24Å; P346-F348 VanDerWaalsContact C-N 3.33Å; P346-F348 PolarHBondContact O-N 3.39Å; F348-T351 PolarHBondContact O-N 2.69Å; F348-L352 WeakPolarHBondContact O-CB 3.48Å; F348-L352 PolarHBondContact O-N 3.32Å
349L94.7Very high93Very high31 Ų3161.5 Ų61.516%0.16234%0.34CS..Hα-helixtrans-62.6-47.4179.4-75.3-177000112.8L306 F345 P346 T351 L352 V353L306-L349 HydrophobicContact CD1-CB 3.83Å; L306-L349 HydrophobicContact CD1-CD1 4.02Å; F345-L349 HydrophobicContact CD1-CD1 4.15Å; F345-L349 HydrophobicContact CE1-CD1 3.47Å; F345-L349 VanDerWaalsContact CE1-CD1 3.47Å; F345-L349 HydrophobicContact CE1-CG 4.29Å; F345-L349 HydrophobicContact CE2-CD1 4.12Å; F345-L349 HydrophobicContact CE2-CD2 4.44Å; F345-L349 HydrophobicContact CE2-CG 4.17Å; F345-L349 HydrophobicContact CZ-CD1 3.47Å; F345-L349 VanDerWaalsContact CZ-CD1 3.47Å; F345-L349 HydrophobicContact CZ-CD2 4.42Å; F345-L349 HydrophobicContact CZ-CG 4.03Å; F345-L349 PolarHBondContact O-N 2.81Å; P346-L349 PolarHBondContact O-N 2.76Å; L349-T351 VanDerWaalsContact C-N 3.31Å; L349-T351 PolarHBondContact O-N 2.9Å; L349-L352 PolarHBondContact O-N 2.82Å; L349-V353 WeakPolarHBondContact O-CG2 3.44Å; L349-V353 PolarHBondContact O-N 3.45Å
350V94.6Very high92.6Very high13 Ų1360.9 Ų60.98%0.07933%0.334CS..Hα-helixtrans-62.8-41.3179.2172.80000111.1M299 H302 F303 L306 P346 V353 A354M299-V350 HydrophobicContact CB-CG1 4.06Å; M299-V350 HydrophobicContact CG-CG1 4.35Å; H302-V350 HydrophobicContact CB-CG2 4.31Å; F303-V350 HydrophobicContact CB-CG2 4Å; L306-V350 HydrophobicContact CD1-CG2 3.94Å; P346-V350 WeakPolarHBondContact O-CG2 3.38Å; P346-V350 PolarHBondContact O-N 3.24Å; V350-V353 PolarHBondContact O-N 2.93Å; V350-A354 WeakPolarHBondContact O-CB 3.28Å; V350-A354 PolarHBondContact O-N 2.84Å
351T93.8Very high92.2Very high69 Ų6955.7 Ų55.742%0.42331%0.307SS..Hα-helixtrans-62.8-44.1176.8-55.10000111V347 F348 L349 A354 L355V347-T351 VanDerWaalsContact O-CB 3.3Å; V347-T351 WeakPolarHBondContact O-CB 3.41Å; V347-T351 PolarHBondContact O-N 2.89Å; V347-T351 PolarHBondContact O-OG1 2.87Å; F348-T351 PolarHBondContact O-N 2.69Å; L349-T351 VanDerWaalsContact C-N 3.31Å; L349-T351 PolarHBondContact O-N 2.9Å; T351-A354 PolarHBondContact O-N 3.38Å; T351-L355 HydrophobicContact CG2-CD1 4Å; T351-L355 HydrophobicContact CG2-CG 4.3Å; T351-L355 WeakPolarHBondContact O-CB 3.44Å; T351-L355 VanDerWaalsContact O-CG 3.28Å; T351-L355 WeakPolarHBondContact O-CG 3.4Å; T351-L355 PolarHBondContact O-N 2.89Å
352L94Very high91.5Very high85 Ų8552 Ų5245%0.44529%0.285SS..Hα-helixtrans-59.8-47.9176.8-178.166.7000111.5F348 L349 A354 L355 V356F348-L352 WeakPolarHBondContact O-CB 3.48Å; F348-L352 PolarHBondContact O-N 3.32Å; L349-L352 PolarHBondContact O-N 2.82Å; L352-A354 VanDerWaalsContact C-N 3.3Å; L352-A354 PolarHBondContact O-N 2.94Å; L352-L355 PolarHBondContact O-N 3.16Å; L352-V356 WeakPolarHBondContact O-CG2 3.4Å; L352-V356 PolarHBondContact O-N 3.01Å; L352-V356 VanDerWaalsContact O-N 3.1Å
353V91.8Very high90.7Very high15 Ų1555.1 Ų55.19%0.09131%0.305CS..Hα-helixtrans-61-40.9177.7173.20000111.4L349 V350 D357 N360 Y361 V388 T392L349-V353 WeakPolarHBondContact O-CG2 3.44Å; L349-V353 PolarHBondContact O-N 3.45Å; V350-V353 PolarHBondContact O-N 2.93Å; V353-D357 PolarHBondContact O-N 3.3Å; V353-N360 HydrophobicContact CG1-CB 4.28Å; V353-Y361 HydrophobicContact CB-CE2 4.26Å; V353-Y361 WeakPolarHBondContact CB-OH 3.37Å; V353-Y361 HydrophobicContact CG1-CE2 3.68Å; V353-Y361 WeakPolarHBondContact CG1-OH 3.44Å; V353-V388 HydrophobicContact CG1-CG1 3.58Å; V353-V388 HydrophobicContact CG2-CG1 4.05Å; V353-T392 HydrophobicContact CG2-CG2 3.97Å
354A91Very high89.4Confident15 Ų1554.8 Ų54.812%0.12431%0.307CS..Hα-helixtrans-68.7-33.9177.800000112.9M299 V350 T351 L352 D357 V358 Y361M299-A354 HydrophobicContact CE-CB 3.94Å; M299-A354 HydrophobicContact SD-CB 4.49Å; V350-A354 WeakPolarHBondContact O-CB 3.28Å; V350-A354 PolarHBondContact O-N 2.84Å; T351-A354 PolarHBondContact O-N 3.38Å; L352-A354 VanDerWaalsContact C-N 3.3Å; L352-A354 PolarHBondContact O-N 2.94Å; A354-D357 CarbonylContact O-C 3.4Å; A354-V358 WeakPolarHBondContact O-CG2 3.39Å; A354-V358 PolarHBondContact O-N 2.88Å; A354-Y361 HydrophobicContact CB-CE2 4.05Å
355L92Very high87.7Confident139 Ų13958.8 Ų58.873%0.72832%0.32SS*.Hα-helixtrans-72.3-33.2177.6-75.7173.1000112.9T351 L352T351-L355 HydrophobicContact CG2-CD1 4Å; T351-L355 HydrophobicContact CG2-CG 4.3Å; T351-L355 WeakPolarHBondContact O-CB 3.44Å; T351-L355 VanDerWaalsContact O-CG 3.28Å; T351-L355 WeakPolarHBondContact O-CG 3.4Å; T351-L355 PolarHBondContact O-N 2.89Å; L352-L355 PolarHBondContact O-N 3.16Å
356V90.5Very high85.8Confident114 Ų11457.4 Ų57.469%0.69132%0.316SS*.Hα-helixtrans-67.7-50.1177.6172.10000110.8L352L352-V356 WeakPolarHBondContact O-CG2 3.4Å; L352-V356 PolarHBondContact O-N 3.01Å; L352-V356 VanDerWaalsContact O-N 3.1Å
357D87.4Confident83.2Confident68 Ų6861.5 Ų61.536%0.36435%0.349SS..  trans-155.8117.7169.8-170.5-9000110V353 A354 N359 N360V353-D357 PolarHBondContact O-N 3.3Å; A354-D357 CarbonylContact O-C 3.4Å; D357-N359 PolarHBondContact O-N 3.13Å; D357-N359 WeakPolarHBondContact OD1-CB 3.42Å; D357-N359 PolarHBondContact OD1-N 2.96Å; D357-N359 PolarHBondContact OD1-ND2 3.16Å; D357-N360 VanDerWaalsContact O-CB 3.25Å; D357-N360 WeakPolarHBondContact O-CB 3.08Å; D357-N360 PolarHBondContact O-N 2.85Å; D357-N360 VanDerWaalsContact O-N 3.09Å; D357-N360 PolarHBondContact O-ND2 3.38Å
358V85Confident80.8Confident69 Ų6959.3 Ų59.342%0.41834%0.336SS..G310 helixtrans-63.3-25.3177178.30000111.1M299 A354 N360 Y361M299-V358 HydrophobicContact CE-CG1 4.49Å; A354-V358 WeakPolarHBondContact O-CG2 3.39Å; A354-V358 PolarHBondContact O-N 2.88Å; V358-N360 PolarHBondContact O-N 3.25Å; V358-Y361 PolarHBondContact O-N 2.84Å
359N83.8Confident77.9Confident78 Ų7863.6 Ų63.642%0.41735%0.349SS..G310 helixtrans-74.3-7.4178-57.1-61.6000113.5D357 Y361 R384D357-N359 PolarHBondContact O-N 3.13Å; D357-N359 WeakPolarHBondContact OD1-CB 3.42Å; D357-N359 PolarHBondContact OD1-N 2.96Å; D357-N359 PolarHBondContact OD1-ND2 3.16Å; N359-Y361 PolarHBondContact O-N 2.79Å; N359-R384 WeakPolarHBondContact O-CD 3.37Å
360N84.9Confident75.1Confident18 Ų1867.2 Ų67.210%0.09636%0.36CS..G310 helixtrans-61.5-24.8170.2-72.8-25.3000111.9V353 D357 V358 I383 R384V353-N360 HydrophobicContact CG1-CB 4.28Å; D357-N360 VanDerWaalsContact O-CB 3.25Å; D357-N360 WeakPolarHBondContact O-CB 3.08Å; D357-N360 PolarHBondContact O-N 2.85Å; D357-N360 VanDerWaalsContact O-N 3.09Å; D357-N360 PolarHBondContact O-ND2 3.38Å; V358-N360 PolarHBondContact O-N 3.25Å; N360-I383 CarbonylContact O-C 3.51Å; N360-I383 VanDerWaalsContact O-CA 3.29Å; N360-I383 WeakPolarHBondContact O-CA 3.4Å; N360-R384 PolarHBondContact O-N 3.07Å
361Y86.4Confident72.5Confident1 Ų172.1 Ų72.10%0.00439%0.39CS..EExtended strand (participates in β ladder)trans-104136174.3-61.1-77.7000110.6R295 A298 M299 H302 V353 A354 V358 N359 I383R295-Y361 WeakPolarHBondContact CG-O 3.49Å; A298-Y361 HydrophobicContact CB-CD1 3.98Å; A298-Y361 HydrophobicContact CB-CG 4.48Å; M299-Y361 HydrophobicContact CE-CD2 3.81Å; M299-Y361 HydrophobicContact CE-CE2 4.37Å; M299-Y361 HydrophobicContact CE-CG 4.41Å; M299-Y361 HydrophobicContact CG-CD1 4.15Å; M299-Y361 HydrophobicContact CG-CD2 3.78Å; M299-Y361 HydrophobicContact CG-CE1 4.3Å; M299-Y361 HydrophobicContact CG-CE2 3.94Å; M299-Y361 HydrophobicContact CG-CG 3.87Å; H302-Y361 HydrophobicContact CB-CE1 4.02Å; H302-Y361 AromaticContact ND1-CE1 3.49Å; H302-Y361 WeakPolarHBondContact ND1-CE1 3.46Å; H302-Y361 AromaticContact ND1-CZ 3.58Å; H302-Y361 PolarHBondContact ND1-OH 2.92Å; V353-Y361 HydrophobicContact CB-CE2 4.26Å; V353-Y361 WeakPolarHBondContact CB-OH 3.37Å; V353-Y361 HydrophobicContact CG1-CE2 3.68Å; V353-Y361 WeakPolarHBondContact CG1-OH 3.44Å; A354-Y361 HydrophobicContact CB-CE2 4.05Å; V358-Y361 PolarHBondContact O-N 2.84Å; N359-Y361 PolarHBondContact O-N 2.79Å; Y361-I383 HydrophobicContact CD1-CG1 4.09Å; Y361-I383 HydrophobicContact CE1-CD1 4.5Å; Y361-I383 HydrophobicContact CE1-CG1 3.83Å
362G80.8Confident70.2Confident1 Ų175 Ų751%0.0141%0.41CS..EExtended strand (participates in β ladder)trans174.2-171.917600000114.6I364 W382G362-I364 PolarHBondContact O-N 2.89Å; G362-W382 PolarHBondContact N-O 3.39Å; G362-W382 PolarHBondContact O-N 3.3Å
363P77Confident67.8Low65 Ų6579.4 Ų79.442%0.42243%0.428SS..EExtended strand (participates in β ladder)trans-72.2127.3177.528.5-32.5000110.3
364I69.1Low65.1Low53 Ų5389 Ų8927%0.27246%0.463SS..EExtended strand (participates in β ladder)trans-100.5121.8168.6-53.9-172.5000107.5G362 L366 S379 M380 W382 I383G362-I364 PolarHBondContact O-N 2.89Å; I364-L366 PolarHBondContact O-N 3.35Å; I364-S379 WeakPolarHBondContact O-CA 3.28Å; I364-M380 PolarHBondContact N-O 2.94Å; I364-M380 PolarHBondContact O-N 3.12Å; I364-M380 VanDerWaalsContact O-N 3.13Å; I364-W382 HydrophobicContact CD1-CB 3.61Å; I364-W382 HydrophobicContact CD1-CG 4.14Å; I364-W382 HydrophobicContact CG1-CB 4.21Å; I364-I383 VanDerWaalsContact CD1-O 3.28Å; I364-I383 WeakPolarHBondContact CD1-O 3.36Å
365I60.6Low62.5Low117 Ų11792.8 Ų92.860%0.649%0.485SS*.EExtended strand (participates in β ladder)trans-81.6106.2175.2-57.5174.4000107.4A367 Y377I365-A367 PolarHBondContact O-N 2.8Å; I365-Y377 HydrophobicContact CG2-CD1 4.06Å
366L55.2Low59.9Low53 Ų5391.4 Ų91.428%0.27748%0.482SS..  trans-82.592.9169.4-66.1161.5000106.5I364 V368 P378 M380I364-L366 PolarHBondContact O-N 3.35Å; L366-V368 PolarHBondContact O-N 2.93Å; L366-P378 HydrophobicContact CB-CG 4.35Å; L366-P378 WeakPolarHBondContact CB-O 2.97Å; L366-P378 PolarHBondContact N-O 2.84Å; L366-M380 HydrophobicContact CD1-CB 4.01Å
367A41.3Very low57.6Low85 Ų8592.4 Ų92.470%0.70247%0.474SS*.  trans-62.2101.3179.200000110.3I365I365-A367 PolarHBondContact O-N 2.8Å
368V46.7Very low55.9Low29 Ų2991 Ų9118%0.17647%0.469CS..  trans-114.397.8170177.80000106.4A222 K225 L366 R370 P378A222-V368 HydrophobicContact CB-CG1 3.68Å; K225-V368 HydrophobicContact CD-CG2 3.89Å; L366-V368 PolarHBondContact O-N 2.93Å; V368-R370 HydrophobicContact CG1-CG 4.32Å; V368-R370 PolarHBondContact O-N 2.9Å; V368-P378 HydrophobicContact CB-CG 4.42Å; V368-P378 HydrophobicContact CG2-CG 4.18Å
369R34.6Very low54.8Low218 Ų21888.7 Ų88.782%0.82346%0.456SS*.  trans-79101.2178.4-157.8170.5-166.8134.2-0.5108.3
370R37.3Very low54.4Low107 Ų10787.3 Ų87.340%0.40445%0.447SS..  trans-115.6107.1167.7-84.6-171.3164.987.45.8109A222 T223 V368A222-R370 PolarHBondContact O-NH1 2.79Å; A222-R370 PolarHBondContact O-NH2 2.87Å; T223-R370 PolarHBondContact OG1-NH2 3.38Å; V368-R370 HydrophobicContact CG1-CG 4.32Å; V368-R370 PolarHBondContact O-N 2.9Å
371T39.1Very low54.4Low115 Ų11586.4 Ų86.471%0.70644%0.443SS*.  trans61153166.559.80000117.7E373T371-E373 VanDerWaalsContact C-N 3.3Å; T371-E373 PolarHBondContact O-N 3.38Å
372P45.6Very low54.4Low131 Ų13188.4 Ų88.485%0.85145%0.45SS*.SBendtrans-74.1-9.8-169.5-13.429.2000115.5
373E43.9Very low54.5Low176 Ų17688.7 Ų88.782%0.82245%0.451SS*.SBendtrans-107.4-15.2-158.8-69.5-173.4158.600116.2T371T371-E373 VanDerWaalsContact C-N 3.3Å; T371-E373 PolarHBondContact O-N 3.38Å
374R34.4Very low54.5Low217 Ų21793.1 Ų93.182%0.81946%0.46SS*.  trans-153.6108.4169.3-69-166.6-177.4174.51.9111.7T376R374-T376 PolarHBondContact O-N 2.87Å
375V35.9Very low55.1Low95 Ų9593.6 Ų93.658%0.57646%0.463SS*.  trans-86.5100.5177-165.20000109.5Y377V375-Y377 HydrophobicContact CB-CE2 4.15Å; V375-Y377 HydrophobicContact CG1-CD1 3.93Å; V375-Y377 HydrophobicContact CG1-CD2 3.99Å; V375-Y377 HydrophobicContact CG1-CE1 3.44Å; V375-Y377 VanDerWaalsContact CG1-CE1 3.44Å; V375-Y377 HydrophobicContact CG1-CE2 3.5Å; V375-Y377 HydrophobicContact CG1-CG 4.18Å
376T38.5Very low55.9Low110 Ų11091.7 Ų91.768%0.67546%0.46SS*.  trans-103.6108.1166.4-40.40000107.1R374 P378R374-T376 PolarHBondContact O-N 2.87Å; T376-P378 WeakPolarHBondContact O-CD 3.3Å
377Y42.1Very low57.3Low135 Ų13594.5 Ų94.553%0.52948%0.475SS..  trans-79.8120.6179.2-56-88.2000108.6I365 V375 S379I365-Y377 HydrophobicContact CG2-CD1 4.06Å; V375-Y377 HydrophobicContact CB-CE2 4.15Å; V375-Y377 HydrophobicContact CG1-CD1 3.93Å; V375-Y377 HydrophobicContact CG1-CD2 3.99Å; V375-Y377 HydrophobicContact CG1-CE1 3.44Å; V375-Y377 VanDerWaalsContact CG1-CE1 3.44Å; V375-Y377 HydrophobicContact CG1-CE2 3.5Å; V375-Y377 HydrophobicContact CG1-CG 4.18Å; Y377-S379 VanDerWaalsContact C-N 3.25Å; Y377-S379 PolarHBondContact O-N 3.12Å
378P52.1Low59.4Low37 Ų3791.4 Ų91.424%0.2445%0.447CS..  trans-70.293162.227.2-28.2000107.1L366 V368 T376L366-P378 HydrophobicContact CB-CG 4.35Å; L366-P378 WeakPolarHBondContact CB-O 2.97Å; L366-P378 PolarHBondContact N-O 2.84Å; V368-P378 HydrophobicContact CB-CG 4.42Å; V368-P378 HydrophobicContact CG2-CG 4.18Å; T376-P378 WeakPolarHBondContact O-CD 3.3Å
379S61.5Low61.1Low21 Ų2191.4 Ų91.415%0.14745%0.448CS..EExtended strand (participates in β ladder)trans-79.9132.8164.545.20000107.9A286 I364 Y377A286-S379 WeakPolarHBondContact CB-O 3.41Å; A286-S379 VanDerWaalsContact CB-OG 3.29Å; A286-S379 WeakPolarHBondContact CB-OG 3.48Å; I364-S379 WeakPolarHBondContact O-CA 3.28Å; Y377-S379 VanDerWaalsContact C-N 3.25Å; Y377-S379 PolarHBondContact O-N 3.12Å
380M76Confident63.5Low49 Ų4987 Ų8724%0.24143%0.433CS..EExtended strand (participates in β ladder)trans-116.5138.1171.2162.1177.7170.600108L301 I364 L366 W382L301-M380 HydrophobicContact CD2-CE 3.87Å; I364-M380 PolarHBondContact N-O 2.94Å; I364-M380 PolarHBondContact O-N 3.12Å; I364-M380 VanDerWaalsContact O-N 3.13Å; L366-M380 HydrophobicContact CD1-CB 4.01Å; M380-W382 HydrophobicContact CE-CB 3.76Å; M380-W382 HydrophobicContact CE-CD2 3.9Å; M380-W382 HydrophobicContact CE-CE3 4.1Å; M380-W382 HydrophobicContact CE-CG 3.8Å; M380-W382 HydrophobicContact CG-CB 4.26Å; M380-W382 PolarHBondContact O-N 3.3Å
381C84.3Confident66Low0 Ų086.6 Ų86.60%044%0.442CS..EExtended strand (participates in β ladder)trans-82.9111.1174.8-63.10000110.6A286 C294 A298A286-C381 VanDerWaalsContact CB-SG 3.59Å; C294-C381 WeakPolarHBondContact CA-SG 3.38Å; C294-C381 HydrophobicContact CB-CB 4.15Å; C294-C381 WeakPolarHBondContact CB-SG 3.34Å; C294-C381 WeakPolarHBondContact O-CB 3.31Å; C294-C381 WeakPolarHBondContact SG-CA 3.49Å; C294-C381 WeakPolarHBondContact SG-CB 3.44Å; C294-C381 CovalentContact SG-SG 2.03Å; C294-C381 PolarHBondContact SG-SG 3.23Å; A298-C381 HydrophobicContact CB-CB 4.14Å
382W86.3Confident68.4Low43 Ų4382.1 Ų82.116%0.16341%0.414CS..EExtended strand (participates in β ladder)trans-154.5-174.2-177.3-168.6-114.1000113.2L301 H302 L305 G362 I364 M380L301-W382 HydrophobicContact CB-CE3 4.22Å; L301-W382 HydrophobicContact CB-CZ3 3.81Å; L301-W382 HydrophobicContact CD2-CD2 4.43Å; L301-W382 HydrophobicContact CD2-CE3 3.36Å; L301-W382 HydrophobicContact CD2-CH2 4.44Å; L301-W382 HydrophobicContact CD2-CZ3 3.4Å; L301-W382 VanDerWaalsContact CD2-CZ3 3.4Å; L301-W382 HydrophobicContact CG-CE3 3.85Å; L301-W382 HydrophobicContact CG-CH2 4.31Å; L301-W382 HydrophobicContact CG-CZ3 3.36Å; H302-W382 HydrophobicContact CB-CZ3 4.33Å; L305-W382 HydrophobicContact CD2-CH2 3.85Å; L305-W382 HydrophobicContact CD2-CZ2 4.23Å; G362-W382 PolarHBondContact N-O 3.39Å; G362-W382 PolarHBondContact O-N 3.3Å; I364-W382 HydrophobicContact CD1-CB 3.61Å; I364-W382 HydrophobicContact CD1-CG 4.14Å; I364-W382 HydrophobicContact CG1-CB 4.21Å; M380-W382 HydrophobicContact CE-CB 3.76Å; M380-W382 HydrophobicContact CE-CD2 3.9Å; M380-W382 HydrophobicContact CE-CE3 4.1Å; M380-W382 HydrophobicContact CE-CG 3.8Å; M380-W382 HydrophobicContact CG-CB 4.26Å; M380-W382 PolarHBondContact O-N 3.3Å
383I83Confident70.6Confident7 Ų776.6 Ų76.64%0.03638%0.377CS..EExtended strand (participates in β ladder)trans-74.5120.6178.3-51.9171.5000109.4N360 Y361 I364 D385 V388N360-I383 CarbonylContact O-C 3.51Å; N360-I383 VanDerWaalsContact O-CA 3.29Å; N360-I383 WeakPolarHBondContact O-CA 3.4Å; Y361-I383 HydrophobicContact CD1-CG1 4.09Å; Y361-I383 HydrophobicContact CE1-CD1 4.5Å; Y361-I383 HydrophobicContact CE1-CG1 3.83Å; I364-I383 VanDerWaalsContact CD1-O 3.28Å; I364-I383 WeakPolarHBondContact CD1-O 3.36Å; I383-D385 WeakPolarHBondContact CG2-O 3.49Å; I383-V388 HydrophobicContact CG2-CB 3.98Å; I383-V388 HydrophobicContact CG2-CG1 3.93Å
384R77.6Confident72.7Confident158 Ų15870.1 Ų70.160%0.59635%0.348SS*.SBendtrans-77.4-36.4-178.5-66.6179.567-171.64.2112.9N359 N360N359-R384 WeakPolarHBondContact O-CD 3.37Å; N360-R384 PolarHBondContact O-N 3.07Å
385D80.2Confident75.5Confident63 Ų6361.6 Ų61.634%0.33733%0.327SS..  trans-83.5117.2178-172-0.7000110.6I383 L387 V388 S389I383-D385 WeakPolarHBondContact CG2-O 3.49Å; D385-L387 VanDerWaalsContact C-N 3.26Å; D385-L387 PolarHBondContact O-N 2.96Å; D385-L387 WeakPolarHBondContact OD1-CB 3.43Å; D385-L387 PolarHBondContact OD1-N 3.12Å; D385-V388 HydrophobicContact CB-CB 4.28Å; D385-V388 HydrophobicContact CB-CG2 3.95Å; D385-V388 PolarHBondContact O-N 3.48Å; D385-S389 PolarHBondContact O-N 3.22Å
386S78Confident78.2Confident76 Ų7658.1 Ų58.153%0.53131%0.306SS..Hα-helixtrans-63.9-33178.4580000111.8S389 Y390S386-S389 PolarHBondContact O-N 3.43Å; S386-Y390 WeakPolarHBondContact O-CD2 3.2Å; S386-Y390 PolarHBondContact O-N 3.28Å
387L84Confident80.9Confident113 Ų11353.5 Ų53.559%0.59228%0.276SS*.Hα-helixtrans-64.9-45.5179.9-173.2148.7000110.9D385 S389 Y390 V391D385-L387 VanDerWaalsContact C-N 3.26Å; D385-L387 PolarHBondContact O-N 2.96Å; D385-L387 WeakPolarHBondContact OD1-CB 3.43Å; D385-L387 PolarHBondContact OD1-N 3.12Å; L387-S389 VanDerWaalsContact C-N 3.34Å; L387-S389 PolarHBondContact O-N 3.45Å; L387-Y390 PolarHBondContact O-N 2.78Å; L387-V391 HydrophobicContact CD2-CG2 4.08Å; L387-V391 HydrophobicContact CG-CG2 4.47Å; L387-V391 WeakPolarHBondContact O-CB 3.25Å; L387-V391 WeakPolarHBondContact O-CG2 3.47Å; L387-V391 PolarHBondContact O-N 2.85Å
388V86.3Confident83.4Confident20 Ų2048.8 Ų48.812%0.12126%0.263CS..Hα-helixtrans-57.1-50175174.70000109.9V353 I383 D385 Y390 V391 T392V353-V388 HydrophobicContact CG1-CG1 3.58Å; V353-V388 HydrophobicContact CG2-CG1 4.05Å; I383-V388 HydrophobicContact CG2-CB 3.98Å; I383-V388 HydrophobicContact CG2-CG1 3.93Å; D385-V388 HydrophobicContact CB-CB 4.28Å; D385-V388 HydrophobicContact CB-CG2 3.95Å; D385-V388 PolarHBondContact O-N 3.48Å; V388-Y390 PolarHBondContact O-N 2.8Å; V388-V391 PolarHBondContact O-N 3.48Å; V388-T392 HydrophobicContact CG1-CG2 4.21Å; V388-T392 WeakPolarHBondContact O-CB 3.41Å; V388-T392 WeakPolarHBondContact O-CG2 3.14Å; V388-T392 PolarHBondContact O-N 2.92Å; V388-T392 PolarHBondContact O-OG1 3.33Å
389S82.3Confident85.4Confident29 Ų2952.8 Ų52.820%0.20328%0.282CS..Hα-helixtrans-61.3-41.9179.7-175.30000112.8D385 S386 L387 N393 L394D385-S389 PolarHBondContact O-N 3.22Å; S386-S389 PolarHBondContact O-N 3.43Å; L387-S389 VanDerWaalsContact C-N 3.34Å; L387-S389 PolarHBondContact O-N 3.45Å; S389-N393 WeakPolarHBondContact O-CB 3.16Å; S389-N393 PolarHBondContact O-N 2.91Å; S389-N393 PolarHBondContact OG-ND2 2.82Å; S389-L394 PolarHBondContact O-N 2.05Å
390Y85.4Confident87Confident126 Ų12652.6 Ų52.649%0.49428%0.279SS..Iπ-helixtrans-65.2-45.5177.4-77-57.2000112S386 L387 V388 L394 G395 F449S386-Y390 WeakPolarHBondContact O-CD2 3.2Å; S386-Y390 PolarHBondContact O-N 3.28Å; L387-Y390 PolarHBondContact O-N 2.78Å; V388-Y390 PolarHBondContact O-N 2.8Å; Y390-L394 HydrophobicContact CD1-CB 4.5Å; Y390-L394 HydrophobicContact CD1-CD2 3.86Å; Y390-L394 HydrophobicContact CE1-CD2 4.36Å; Y390-L394 VanDerWaalsContact O-CB 3.31Å; Y390-L394 WeakPolarHBondContact O-CB 3.5Å; Y390-L394 PolarHBondContact O-N 2.88Å; Y390-G395 PolarHBondContact O-N 2.73Å; Y390-F449 HydrophobicContact CE1-CE1 4.31Å; Y390-F449 HydrophobicContact CE1-CZ 4.16Å
391V89.9Confident88Confident98 Ų9852.1 Ų52.159%0.59428%0.276SS*.Iπ-helixtrans-70.4-48.6-177.4174.90000111.2L387 V388 G395L387-V391 HydrophobicContact CD2-CG2 4.08Å; L387-V391 HydrophobicContact CG-CG2 4.47Å; L387-V391 WeakPolarHBondContact O-CB 3.25Å; L387-V391 WeakPolarHBondContact O-CG2 3.47Å; L387-V391 PolarHBondContact O-N 2.85Å; V388-V391 PolarHBondContact O-N 3.48Å; V391-G395 WeakPolarHBondContact O-CA 3.28Å
392T90.2Very high88.5Confident21 Ų2157.3 Ų57.313%0.12930%0.303CS..Iπ-helixtrans-77.7-44.6-174.364.10000112.5H302 V353 V388 L396H302-T392 PolarHBondContact CE1-OG1 2.84Å; H302-T392 PolarHBondContact NE2-OG1 2.89Å; H302-T392 VanDerWaalsContact NE2-OG1 3.13Å; V353-T392 HydrophobicContact CG2-CG2 3.97Å; V388-T392 HydrophobicContact CG1-CG2 4.21Å; V388-T392 WeakPolarHBondContact O-CB 3.41Å; V388-T392 WeakPolarHBondContact O-CG2 3.14Å; V388-T392 PolarHBondContact O-N 2.92Å; V388-T392 PolarHBondContact O-OG1 3.33Å; T392-L396 WeakPolarHBondContact O-CB 3.46Å
393N90.1Very high88.9Confident15 Ų1559 Ų598%0.0831%0.312CS..Iπ-helixtrans-88.1-59.3-174-57.3-41.9000111.2H302 L305 S389 L396 F397H302-N393 PolarHBondContact CD2-OD1 3.47Å; H302-N393 PolarHBondContact NE2-OD1 2.91Å; L305-N393 HydrophobicContact CD2-CB 4.29Å; S389-N393 WeakPolarHBondContact O-CB 3.16Å; S389-N393 PolarHBondContact O-N 2.91Å; S389-N393 PolarHBondContact OG-ND2 2.82Å; N393-L396 PolarHBondContact O-N 3.42Å; N393-F397 WeakPolarHBondContact O-CB 3.26Å; N393-F397 PolarHBondContact O-N 3.26Å
394L89.2Confident89.5Confident40 Ų4058.7 Ų58.721%0.20931%0.31CS..Iπ-helixtrans-69.2-38.5-176-172.865.9000111.3S389 Y390 F397 S398 V445 F446 F449S389-L394 PolarHBondContact O-N 2.05Å; Y390-L394 HydrophobicContact CD1-CB 4.5Å; Y390-L394 HydrophobicContact CD1-CD2 3.86Å; Y390-L394 HydrophobicContact CE1-CD2 4.36Å; Y390-L394 VanDerWaalsContact O-CB 3.31Å; Y390-L394 WeakPolarHBondContact O-CB 3.5Å; Y390-L394 PolarHBondContact O-N 2.88Å; L394-F397 HydrophobicContact CD1-CD1 4.32Å; L394-S398 WeakPolarHBondContact O-CB 3.41Å; L394-S398 PolarHBondContact O-N 3.43Å; L394-S398 PolarHBondContact O-OG 2.89Å; L394-V445 HydrophobicContact CD1-CG1 4.33Å; L394-F446 HydrophobicContact CD1-CD1 4.17Å; L394-F446 HydrophobicContact CD1-CE1 3.58Å; L394-F446 HydrophobicContact CD1-CZ 4.27Å; L394-F446 HydrophobicContact CG-CE1 4.3Å; L394-F449 HydrophobicContact CD2-CE2 4.38Å; L394-F449 HydrophobicContact CD2-CZ 4.15Å
395G92.4Very high90.3Very high37 Ų3755 Ų5538%0.38130%0.302SS..Hα-helixtrans-60-51.5173.900000112.6Y390 V391 S398 L399Y390-G395 PolarHBondContact O-N 2.73Å; V391-G395 WeakPolarHBondContact O-CA 3.28Å; G395-S398 PolarHBondContact O-N 3.07Å; G395-L399 PolarHBondContact O-N 3.01Å; G395-L399 VanDerWaalsContact O-N 3.16Å
396L93.9Very high91Very high23 Ų2354.5 Ų54.512%0.1231%0.307CS..Hα-helixtrans-63.3-44.4177.4-178.363.4000111.8L306 L309 F345 T392 N393 S398 L399 V400L306-L396 HydrophobicContact CD2-CD2 3.6Å; L309-L396 HydrophobicContact CB-CD2 4.2Å; L309-L396 HydrophobicContact CD1-CD2 4.23Å; L309-L396 HydrophobicContact CD1-CG 4.39Å; F345-L396 HydrophobicContact CE1-CD1 3.79Å; F345-L396 HydrophobicContact CE1-CD2 3.92Å; F345-L396 HydrophobicContact CZ-CD1 4.22Å; T392-L396 WeakPolarHBondContact O-CB 3.46Å; N393-L396 PolarHBondContact O-N 3.42Å; L396-S398 VanDerWaalsContact C-N 3.32Å; L396-S398 PolarHBondContact O-N 3.35Å; L396-L399 PolarHBondContact O-N 2.83Å; L396-V400 HydrophobicContact CD1-CG2 4.27Å; L396-V400 HydrophobicContact CG-CG2 4.41Å; L396-V400 WeakPolarHBondContact O-CG2 3.4Å; L396-V400 PolarHBondContact O-N 3.03Å
397F94Very high91.7Very high13 Ų1351.5 Ų51.56%0.05729%0.285CS..Hα-helixtrans-58.4-44.5176.9172.4-112.8000111.5L309 N393 L394 L399 V400 F401 W442 A443 V445 F446L309-F397 HydrophobicContact CD1-CB 4.05Å; L309-F397 HydrophobicContact CD2-CB 4.17Å; L309-F397 HydrophobicContact CD2-CD2 3.65Å; L309-F397 HydrophobicContact CD2-CG 4.35Å; N393-F397 WeakPolarHBondContact O-CB 3.26Å; N393-F397 PolarHBondContact O-N 3.26Å; L394-F397 HydrophobicContact CD1-CD1 4.32Å; F397-L399 VanDerWaalsContact C-N 3.34Å; F397-L399 PolarHBondContact O-N 2.02Å; F397-V400 PolarHBondContact O-N 2.89Å; F397-F401 HydrophobicContact CE2-CB 4.23Å; F397-F401 HydrophobicContact CZ-CB 4.17Å; F397-F401 HydrophobicContact CZ-CD2 4.45Å; F397-F401 HydrophobicContact CZ-CG 4.44Å; F397-F401 WeakPolarHBondContact O-CB 3.27Å; F397-F401 PolarHBondContact O-N 2.86Å; F397-W442 HydrophobicContact CD2-CB 4.45Å; F397-W442 HydrophobicContact CE2-CB 3.45Å; F397-W442 VanDerWaalsContact CE2-CB 3.45Å; F397-W442 HydrophobicContact CE2-CG 4.4Å; F397-W442 VanDerWaalsContact CZ-C 3.44Å; F397-W442 HydrophobicContact CZ-CB 3.51Å; F397-A443 HydrophobicContact CZ-CB 4.43Å; F397-V445 HydrophobicContact CD1-CG1 4.08Å; F397-V445 HydrophobicContact CE1-CG1 3.66Å; F397-F446 HydrophobicContact CD1-CE2 4.01Å; F397-F446 AromaticContact CD1-CZ 3.71Å; F397-F446 HydrophobicContact CD1-CZ 3.71Å; F397-F446 HydrophobicContact CE1-CD2 4.18Å; F397-F446 AromaticContact CE1-CE2 3.39Å; F397-F446 HydrophobicContact CE1-CE2 3.39Å; F397-F446 AromaticContact CE1-CZ 3.6Å; F397-F446 HydrophobicContact CE1-CZ 3.6Å; F397-F446 HydrophobicContact CZ-CE2 4.27Å
398S94.1Very high92Very high35 Ų3547.2 Ų47.225%0.24526%0.262CS..Hα-helixtrans-59.9-43.8178.6-58.30000111.8L394 G395 L396 L402 F446L394-S398 WeakPolarHBondContact O-CB 3.41Å; L394-S398 PolarHBondContact O-N 3.43Å; L394-S398 PolarHBondContact O-OG 2.89Å; G395-S398 PolarHBondContact O-N 3.07Å; L396-S398 VanDerWaalsContact C-N 3.32Å; L396-S398 PolarHBondContact O-N 3.35Å; S398-L402 VanDerWaalsContact O-CG 3.32Å; S398-L402 WeakPolarHBondContact O-CG 3.33Å; S398-L402 PolarHBondContact O-N 2.78Å; S398-F446 WeakPolarHBondContact OG-CZ 3.18Å
399L95.2Very high92.3Very high122 Ų12248.7 Ų48.764%0.63928%0.277SS*.Hα-helixtrans-63.2-49177.4-178.366.4000111.7G395 L396 F397 F403G395-L399 PolarHBondContact O-N 3.01Å; G395-L399 VanDerWaalsContact O-N 3.16Å; L396-L399 PolarHBondContact O-N 2.83Å; F397-L399 VanDerWaalsContact C-N 3.34Å; F397-L399 PolarHBondContact O-N 2.02Å; L399-F403 WeakPolarHBondContact O-CB 3.42Å; L399-F403 PolarHBondContact O-N 3.17Å; L399-F403 VanDerWaalsContact O-N 3.13Å
400V95.6Very high92.7Very high16 Ų1650 Ų5010%0.09728%0.284CS..Hα-helixtrans-62.8-43178.7170.50000111M312 L396 F397 F403 N404M312-V400 HydrophobicContact CB-CG1 4.23Å; L396-V400 HydrophobicContact CD1-CG2 4.27Å; L396-V400 HydrophobicContact CG-CG2 4.41Å; L396-V400 WeakPolarHBondContact O-CG2 3.4Å; L396-V400 PolarHBondContact O-N 3.03Å; F397-V400 PolarHBondContact O-N 2.89Å; V400-F403 PolarHBondContact O-N 3.09Å; V400-N404 VanDerWaalsContact O-CB 3.29Å; V400-N404 WeakPolarHBondContact O-CB 3.28Å; V400-N404 VanDerWaalsContact O-CG 3.3Å; V400-N404 PolarHBondContact O-N 3.06Å
401F95.1Very high92.8Very high39 Ų3945.6 Ų45.617%0.17127%0.268CS..Hα-helixtrans-61.6-49179170.9-104.7000111.9F397 F403 N404 L405 L440 A443 F446F397-F401 HydrophobicContact CE2-CB 4.23Å; F397-F401 HydrophobicContact CZ-CB 4.17Å; F397-F401 HydrophobicContact CZ-CD2 4.45Å; F397-F401 HydrophobicContact CZ-CG 4.44Å; F397-F401 WeakPolarHBondContact O-CB 3.27Å; F397-F401 PolarHBondContact O-N 2.86Å; F401-F403 VanDerWaalsContact C-N 3.32Å; F401-F403 PolarHBondContact O-N 3.25Å; F401-N404 PolarHBondContact O-N 3.14Å; F401-L405 HydrophobicContact CE1-CD2 4.22Å; F401-L405 HydrophobicContact CZ-CD2 4.1Å; F401-L405 VanDerWaalsContact O-CB 3.24Å; F401-L405 WeakPolarHBondContact O-CB 3.26Å; F401-L405 PolarHBondContact O-N 3.29Å; F401-L440 HydrophobicContact CD2-CD2 3.8Å; F401-L440 HydrophobicContact CE2-CD2 3.68Å; F401-A443 HydrophobicContact CD2-CB 3.89Å; F401-A443 HydrophobicContact CE1-CB 4.35Å; F401-A443 HydrophobicContact CE2-CB 3.39Å; F401-A443 HydrophobicContact CZ-CB 3.66Å; F401-F446 HydrophobicContact CD1-CE2 4.17Å
402L95.6Very high92.7Very high110 Ų11043.1 Ų43.158%0.57625%0.253SS*.Hα-helixtrans-60.4-43.7178.4-73174.5000111.6S398 L405 A406S398-L402 VanDerWaalsContact O-CG 3.32Å; S398-L402 WeakPolarHBondContact O-CG 3.33Å; S398-L402 PolarHBondContact O-N 2.78Å; L402-L405 PolarHBondContact O-N 3.41Å; L402-A406 WeakPolarHBondContact O-CB 3.2Å; L402-A406 PolarHBondContact O-N 2.91Å
403F95.5Very high92.6Very high79 Ų7945.2 Ų45.235%0.34627%0.266SS..Hα-helixtrans-61.7-50.2176177.3-109.5000111.6Y317 L399 V400 F401 L405 A406 M407Y317-F403 HydrophobicContact CD2-CZ 4.5Å; L399-F403 WeakPolarHBondContact O-CB 3.42Å; L399-F403 PolarHBondContact O-N 3.17Å; L399-F403 VanDerWaalsContact O-N 3.13Å; V400-F403 PolarHBondContact O-N 3.09Å; F401-F403 VanDerWaalsContact C-N 3.32Å; F401-F403 PolarHBondContact O-N 3.25Å; F403-L405 VanDerWaalsContact C-N 3.33Å; F403-L405 PolarHBondContact O-N 3.35Å; F403-A406 PolarHBondContact O-N 3.47Å; F403-M407 HydrophobicContact CD1-CG 4.5Å; F403-M407 HydrophobicContact CD2-CG 4.3Å; F403-M407 HydrophobicContact CE1-CG 4.15Å; F403-M407 HydrophobicContact CE2-CG 3.92Å; F403-M407 HydrophobicContact CE2-SD 4.23Å; F403-M407 HydrophobicContact CZ-CG 3.83Å; F403-M407 HydrophobicContact CZ-SD 4.43Å; F403-M407 WeakPolarHBondContact O-CB 3.42Å; F403-M407 VanDerWaalsContact O-CG 3.32Å; F403-M407 WeakPolarHBondContact O-CG 3.18Å; F403-M407 PolarHBondContact O-N 2.91Å
404N95.4Very high92.4Very high0 Ų048 Ų480%028%0.278CS..Hα-helixtrans-64.3-35.8-179.9-77.1-2.5000112.8M312 G316 V400 F401 M407 L408 L438 L440M312-N404 PolarHBondContact O-ND2 3.39Å; M312-N404 PolarHBondContact O-OD1 3.13Å; G316-N404 WeakPolarHBondContact CA-OD1 3.47Å; V400-N404 VanDerWaalsContact O-CB 3.29Å; V400-N404 WeakPolarHBondContact O-CB 3.28Å; V400-N404 VanDerWaalsContact O-CG 3.3Å; V400-N404 PolarHBondContact O-N 3.06Å; F401-N404 PolarHBondContact O-N 3.14Å; N404-M407 PolarHBondContact O-N 3.11Å; N404-L408 WeakPolarHBondContact O-CB 3.41Å; N404-L408 PolarHBondContact O-N 3.15Å; N404-L438 HydrophobicContact CB-CB 4.23Å; N404-L438 HydrophobicContact CB-CD2 4.29Å; N404-L438 PolarHBondContact ND2-O 3.2Å; N404-L440 HydrophobicContact CB-CD2 4.38Å
405L94.4Very high92.1Very high79 Ų7948.8 Ų48.841%0.41428%0.282SS..Hα-helixtrans-65.1-46.8175.3-178.763.8000111.2F401 L402 F403 M407 L408 A409 L440F401-L405 HydrophobicContact CE1-CD2 4.22Å; F401-L405 HydrophobicContact CZ-CD2 4.1Å; F401-L405 VanDerWaalsContact O-CB 3.24Å; F401-L405 WeakPolarHBondContact O-CB 3.26Å; F401-L405 PolarHBondContact O-N 3.29Å; L402-L405 PolarHBondContact O-N 3.41Å; F403-L405 VanDerWaalsContact C-N 3.33Å; F403-L405 PolarHBondContact O-N 3.35Å; L405-M407 VanDerWaalsContact C-N 3.27Å; L405-M407 PolarHBondContact O-N 3.34Å; L405-L408 PolarHBondContact O-N 2.94Å; L405-A409 WeakPolarHBondContact O-CB 3.43Å; L405-A409 PolarHBondContact O-N 3.07Å; L405-L440 HydrophobicContact CB-CD2 4.37Å
406A94Very high91.7Very high54 Ų5452.1 Ų52.145%0.44629%0.29SS..Hα-helixtrans-60-41.5174.900000111L402 F403 A409 T410L402-A406 WeakPolarHBondContact O-CB 3.2Å; L402-A406 PolarHBondContact O-N 2.91Å; F403-A406 PolarHBondContact O-N 3.47Å; A406-A409 PolarHBondContact O-N 2.9Å; A406-T410 WeakPolarHBondContact O-CG2 3.44Å; A406-T410 PolarHBondContact O-N 2.82Å; A406-T410 PolarHBondContact O-OG1 3.22Å
407M92.4Very high91.3Very high13 Ų1359.5 Ų59.56%0.06432%0.316CS..Hα-helixtrans-68.2-42179.5-70.6-43.6-44.400113.4L319 Y320 F403 N404 L405 T410 M411L319-M407 HydrophobicContact CD2-CB 4.19Å; L319-M407 HydrophobicContact CD2-CE 4Å; L319-M407 WeakPolarHBondContact CD2-O 3.46Å; Y320-M407 HydrophobicContact CD2-CE 3.65Å; Y320-M407 HydrophobicContact CD2-SD 3.72Å; Y320-M407 HydrophobicContact CG-CE 3.94Å; Y320-M407 HydrophobicContact CG-SD 4.13Å; F403-M407 HydrophobicContact CD1-CG 4.5Å; F403-M407 HydrophobicContact CD2-CG 4.3Å; F403-M407 HydrophobicContact CE1-CG 4.15Å; F403-M407 HydrophobicContact CE2-CG 3.92Å; F403-M407 HydrophobicContact CE2-SD 4.23Å; F403-M407 HydrophobicContact CZ-CG 3.83Å; F403-M407 HydrophobicContact CZ-SD 4.43Å; F403-M407 WeakPolarHBondContact O-CB 3.42Å; F403-M407 VanDerWaalsContact O-CG 3.32Å; F403-M407 WeakPolarHBondContact O-CG 3.18Å; F403-M407 PolarHBondContact O-N 2.91Å; N404-M407 PolarHBondContact O-N 3.11Å; L405-M407 VanDerWaalsContact C-N 3.27Å; L405-M407 PolarHBondContact O-N 3.34Å; M407-T410 WeakPolarHBondContact CE-OG1 3.5Å; M407-T410 PolarHBondContact O-N 3.15Å; M407-T410 PolarHBondContact O-OG1 3.01Å; M407-M411 PolarHBondContact O-N 2.83Å; M407-M411 VanDerWaalsContact O-N 3.08Å
408L91.4Very high90.7Very high22 Ų2265.7 Ų65.712%0.11535%0.349CS..Hα-helixtrans-64.1-42.6173.8-173.964.9000111.3N404 L405 T410 M411 V412 L431 L438 L440N404-L408 WeakPolarHBondContact O-CB 3.41Å; N404-L408 PolarHBondContact O-N 3.15Å; L405-L408 PolarHBondContact O-N 2.94Å; L408-T410 PolarHBondContact O-N 3.39Å; L408-M411 PolarHBondContact O-N 2.82Å; L408-V412 HydrophobicContact CG-CG2 4.4Å; L408-V412 WeakPolarHBondContact O-CG2 3.31Å; L408-V412 PolarHBondContact O-N 3.05Å; L408-L431 HydrophobicContact CD1-CD2 4.39Å; L408-L438 HydrophobicContact CB-CD1 3.94Å; L408-L438 HydrophobicContact CD1-CD1 4.07Å; L408-L438 HydrophobicContact CG-CD1 4.41Å; L408-L440 HydrophobicContact CD2-CD1 3.27Å
409A91.9Very high89.8Confident52 Ų5271.1 Ų71.143%0.4337%0.365SS..Hα-helixtrans-60.1-45.2178.300000111.8L405 A406 M411 V412 V413L405-A409 WeakPolarHBondContact O-CB 3.43Å; L405-A409 PolarHBondContact O-N 3.07Å; A406-A409 PolarHBondContact O-N 2.9Å; A409-M411 PolarHBondContact O-N 2.81Å; A409-V412 PolarHBondContact O-N 3.45Å; A409-V413 VanDerWaalsContact O-CG2 3.31Å; A409-V413 WeakPolarHBondContact O-CG2 3.35Å; A409-V413 PolarHBondContact O-N 3.04Å
410T90.9Very high88.6Confident57 Ų5770.1 Ų70.135%0.3537%0.365SS..Hα-helixtrans-62.3-42.6176.155.70000111.9A406 M407 L408 V413 Q414A406-T410 WeakPolarHBondContact O-CG2 3.44Å; A406-T410 PolarHBondContact O-N 2.82Å; A406-T410 PolarHBondContact O-OG1 3.22Å; M407-T410 WeakPolarHBondContact CE-OG1 3.5Å; M407-T410 PolarHBondContact O-N 3.15Å; M407-T410 PolarHBondContact O-OG1 3.01Å; L408-T410 PolarHBondContact O-N 3.39Å; T410-V413 PolarHBondContact O-N 3.12Å; T410-Q414 VanDerWaalsContact O-CG 3.28Å; T410-Q414 WeakPolarHBondContact O-CG 3.39Å; T410-Q414 PolarHBondContact O-N 3.41Å
411M87.5Confident87.1Confident32 Ų3278.3 Ų78.316%0.15840%0.402CS..Hα-helixtrans-61-45.2174.7177175.9-179.900112.5L319 V323 M407 L408 A409 V413 Q414 I415 L434L319-M411 HydrophobicContact CD1-SD 3.57Å; L319-M411 VanDerWaalsContact CD1-SD 3.57Å; L319-M411 HydrophobicContact CD2-CB 3.78Å; L319-M411 HydrophobicContact CD2-CG 4.43Å; L319-M411 HydrophobicContact CD2-SD 4.04Å; L319-M411 HydrophobicContact CG-SD 3.75Å; V323-M411 HydrophobicContact CG2-CB 4.17Å; V323-M411 HydrophobicContact CG2-CG 4.12Å; M407-M411 PolarHBondContact O-N 2.83Å; M407-M411 VanDerWaalsContact O-N 3.08Å; L408-M411 PolarHBondContact O-N 2.82Å; A409-M411 PolarHBondContact O-N 2.81Å; M411-V413 VanDerWaalsContact C-N 3.35Å; M411-V413 PolarHBondContact O-N 2.79Å; M411-Q414 PolarHBondContact O-N 2.92Å; M411-I415 HydrophobicContact CE-CD1 3.71Å; M411-I415 HydrophobicContact CG-CD1 3.77Å; M411-I415 HydrophobicContact CG-CG1 4.38Å; M411-I415 VanDerWaalsContact O-CG1 3.29Å; M411-I415 WeakPolarHBondContact O-CG1 3.49Å; M411-I415 PolarHBondContact O-N 2.81Å; M411-L434 HydrophobicContact CE-CD1 3.36Å; M411-L434 HydrophobicContact SD-CD1 3.81Å
412V87.5Confident85.4Confident46 Ų4678 Ų7828%0.27941%0.405SS..Hα-helixtrans-60.4-45.6177.1170.20000110.6L408 A409 Q414 I415 L416 L431L408-V412 HydrophobicContact CG-CG2 4.4Å; L408-V412 WeakPolarHBondContact O-CG2 3.31Å; L408-V412 PolarHBondContact O-N 3.05Å; A409-V412 PolarHBondContact O-N 3.45Å; V412-Q414 VanDerWaalsContact C-N 3.34Å; V412-Q414 PolarHBondContact O-N 2.94Å; V412-I415 PolarHBondContact O-N 2.71Å; V412-L416 HydrophobicContact CG1-CD1 3.83Å; V412-L416 HydrophobicContact CG1-CG 4.32Å; V412-L416 WeakPolarHBondContact O-CB 3.31Å; V412-L416 VanDerWaalsContact O-CG 3.27Å; V412-L416 WeakPolarHBondContact O-CG 3.44Å; V412-L416 PolarHBondContact O-N 2.93Å; V412-L431 HydrophobicContact CG2-CD1 4.39Å; V412-L431 HydrophobicContact CG2-CD2 3.87Å
413V89.1Confident83.7Confident66 Ų6681.7 Ų81.740%0.442%0.419SS..Hα-helixtrans-59.6-44176.7170.90000111.3A409 T410 M411 L416 R417A409-V413 VanDerWaalsContact O-CG2 3.31Å; A409-V413 WeakPolarHBondContact O-CG2 3.35Å; A409-V413 PolarHBondContact O-N 3.04Å; T410-V413 PolarHBondContact O-N 3.12Å; M411-V413 VanDerWaalsContact C-N 3.35Å; M411-V413 PolarHBondContact O-N 2.79Å; V413-L416 PolarHBondContact O-N 3.36Å; V413-R417 WeakPolarHBondContact O-CB 3.5Å; V413-R417 VanDerWaalsContact O-CG 3.25Å; V413-R417 WeakPolarHBondContact O-CG 3.44Å; V413-R417 PolarHBondContact O-N 3.01Å
414Q86.2Confident82.5Confident73 Ų7382.3 Ų82.334%0.34143%0.426SS..Hα-helixtrans-67.3-39.4178.7-65.7-67.66.600112.4V323 T410 M411 V412 R417 L418V323-Q414 HydrophobicContact CG1-CB 4.05Å; V323-Q414 HydrophobicContact CG1-CG 3.68Å; T410-Q414 VanDerWaalsContact O-CG 3.28Å; T410-Q414 WeakPolarHBondContact O-CG 3.39Å; T410-Q414 PolarHBondContact O-N 3.41Å; M411-Q414 PolarHBondContact O-N 2.92Å; V412-Q414 VanDerWaalsContact C-N 3.34Å; V412-Q414 PolarHBondContact O-N 2.94Å; Q414-R417 PolarHBondContact O-N 2.94Å; Q414-L418 WeakPolarHBondContact O-CG 3.43Å; Q414-L418 PolarHBondContact O-N 3.05Å
415I82.5Confident81.5Confident56 Ų5692.6 Ų92.629%0.28747%0.465SS..Hα-helixtrans-62.4-45.9175.1-70.8170.1000110.7M411 V412 R417 L418 R419 L431M411-I415 HydrophobicContact CE-CD1 3.71Å; M411-I415 HydrophobicContact CG-CD1 3.77Å; M411-I415 HydrophobicContact CG-CG1 4.38Å; M411-I415 VanDerWaalsContact O-CG1 3.29Å; M411-I415 WeakPolarHBondContact O-CG1 3.49Å; M411-I415 PolarHBondContact O-N 2.81Å; V412-I415 PolarHBondContact O-N 2.71Å; I415-R417 VanDerWaalsContact C-N 3.3Å; I415-R417 PolarHBondContact O-N 2.71Å; I415-L418 PolarHBondContact O-N 2.81Å; I415-R419 PolarHBondContact O-N 3.07Å; I415-L431 HydrophobicContact CD1-CD2 4.37Å
416L84.1Confident80.9Confident107 Ų10791.6 Ų91.656%0.5646%0.464SS*.Hα-helixtrans-64.4-35.4178.7-69.4173.5000112.1V412 V413 R419 P420V412-L416 HydrophobicContact CG1-CD1 3.83Å; V412-L416 HydrophobicContact CG1-CG 4.32Å; V412-L416 WeakPolarHBondContact O-CB 3.31Å; V412-L416 VanDerWaalsContact O-CG 3.27Å; V412-L416 WeakPolarHBondContact O-CG 3.44Å; V412-L416 PolarHBondContact O-N 2.93Å; V413-L416 PolarHBondContact O-N 3.36Å; L416-R419 CarbonylContact O-C 3.26Å; L416-P420 WeakPolarHBondContact O-CA 3.38Å
417R85.1Confident80.2Confident178 Ų17891.5 Ų91.567%0.67245%0.454SS*.Hα-helixtrans-65.3-39.7173.4-75.1173.8-177.5-169.61.4112.5V413 Q414 I415V413-R417 WeakPolarHBondContact O-CB 3.5Å; V413-R417 VanDerWaalsContact O-CG 3.25Å; V413-R417 WeakPolarHBondContact O-CG 3.44Å; V413-R417 PolarHBondContact O-N 3.01Å; Q414-R417 PolarHBondContact O-N 2.94Å; I415-R417 VanDerWaalsContact C-N 3.3Å; I415-R417 PolarHBondContact O-N 2.71Å
418L81.1Confident79.8Confident143 Ų14394.5 Ų94.575%0.74947%0.472SS*.Hα-helixtrans-78-32.8-178.9-70.4171.6000113.1Q414 I415Q414-L418 WeakPolarHBondContact O-CG 3.43Å; Q414-L418 PolarHBondContact O-N 3.05Å; I415-L418 PolarHBondContact O-N 2.81Å
419R75.9Confident79.5Confident149 Ų14996.5 Ų96.556%0.56248%0.483SS*.  trans-138.577.9179.4-73.2-155.2-79.5-137.7-2.7112.5I415 L416 H421 S422 H427I415-R419 PolarHBondContact O-N 3.07Å; L416-R419 CarbonylContact O-C 3.26Å; R419-H421 PolarHBondContact O-N 3.03Å; R419-H421 VanDerWaalsContact O-N 3.12Å; R419-S422 VanDerWaalsContact CD-OG 3.3Å; R419-S422 WeakPolarHBondContact CD-OG 3.49Å; R419-H427 PolarHBondContact NH2-NE2 3.09Å
420P68.9Low79.2Confident101 Ų10195.8 Ų95.866%0.65647%0.474SS*.THydrogen-bonded Turntrans-67.5-11-179.124.8-33.1000114.6L416L416-P420 WeakPolarHBondContact O-CA 3.38Å
421H64.7Low79.1Confident189 Ų18995.5 Ų95.588%0.87547%0.47SS*.THydrogen-bonded Turntrans-131.38.8-170.7-104.842.8000116.2R419R419-H421 PolarHBondContact O-N 3.03Å; R419-H421 VanDerWaalsContact O-N 3.12Å
422S59.8Low79.2Confident33 Ų3399.2 Ų99.223%0.23149%0.489CS..  trans-109.378.6177.776.80000111.8R419 N424R419-S422 VanDerWaalsContact CD-OG 3.3Å; R419-S422 WeakPolarHBondContact CD-OG 3.49Å; S422-N424 PolarHBondContact O-N 2.85Å
423Q59.6Low79.3Confident187 Ų18797.2 Ų97.287%0.87448%0.478SS*.  trans-79.765.2172.9-150.1175.315.100110.1
424N70.1Confident79.3Confident92 Ų9295.2 Ų95.249%0.49247%0.465SS..  trans-85.3126.5175.1-60.6-22.8000108.2S422 P426 H427S422-N424 PolarHBondContact O-N 2.85Å; N424-P426 WeakPolarHBondContact O-CD 3.39Å; N424-H427 WeakPolarHBondContact O-CB 3.44Å; N424-H427 PolarHBondContact O-N 3.44Å; N424-H427 PolarHBondContact O-ND1 3.21Å
425W75.7Confident79.6Confident216 Ų21692.8 Ų92.882%0.81846%0.456SS*.Hα-helixtrans-36.1-39.1172.3-87.6103.8000116H427 V428 L429W425-H427 PolarHBondContact O-N 2.9Å; W425-V428 PolarHBondContact O-N 3.07Å; W425-V428 VanDerWaalsContact O-N 3.15Å; W425-L429 PolarHBondContact O-N 3.4Å; W425-L429 VanDerWaalsContact O-N 3.14Å
426P80Confident80.1Confident58 Ų5891 Ų9138%0.37745%0.447SS..Hα-helixtrans-53.8-33.6173.9-30.937.2000115.5N424 T430N424-P426 WeakPolarHBondContact O-CD 3.39Å; P426-T430 WeakPolarHBondContact O-CB 3.3Å; P426-T430 PolarHBondContact O-N 3.4Å; P426-T430 PolarHBondContact O-OG1 3.23Å
427H80.5Confident80.5Confident51 Ų5186 Ų8624%0.23642%0.421CS..Hα-helixtrans-69.8-41.1178.7-63.389.6000111.3R419 N424 W425 L429 T430 L431R419-H427 PolarHBondContact NH2-NE2 3.09Å; N424-H427 WeakPolarHBondContact O-CB 3.44Å; N424-H427 PolarHBondContact O-N 3.44Å; N424-H427 PolarHBondContact O-ND1 3.21Å; W425-H427 PolarHBondContact O-N 2.9Å; H427-L429 VanDerWaalsContact C-N 3.32Å; H427-L429 PolarHBondContact O-N 3.48Å; H427-T430 PolarHBondContact O-N 2.92Å; H427-L431 WeakPolarHBondContact O-CG 3.29Å; H427-L431 PolarHBondContact O-N 3.42Å
428V83.7Confident80.9Confident76 Ų7677.8 Ų77.846%0.46139%0.39SS..Hα-helixtrans-62.5-43.8176.9179.60000110W425 T430 L431 L432W425-V428 PolarHBondContact O-N 3.07Å; W425-V428 VanDerWaalsContact O-N 3.15Å; V428-T430 VanDerWaalsContact C-N 3.32Å; V428-T430 PolarHBondContact O-N 2.97Å; V428-L431 PolarHBondContact O-N 3.37Å; V428-L432 WeakPolarHBondContact O-CB 3.19Å; V428-L432 PolarHBondContact O-N 3.21Å
429L85.4Confident81.4Confident65 Ų6571 Ų7134%0.3436%0.355SS..Hα-helixtrans-63.9-38.2177.1-173.662000112.4W425 H427 G433 S479W425-L429 PolarHBondContact O-N 3.4Å; W425-L429 VanDerWaalsContact O-N 3.14Å; H427-L429 VanDerWaalsContact C-N 3.32Å; H427-L429 PolarHBondContact O-N 3.48Å; L429-G433 PolarHBondContact O-N 3.26Å; L429-S479 WeakPolarHBondContact CD2-OG 3.32Å
430T85.7Confident82.2Confident37 Ų3765.2 Ų65.223%0.22734%0.335CS..Hα-helixtrans-64.7-46175.6-56.80000111P426 H427 V428 L432 G433 L434 M480P426-T430 WeakPolarHBondContact O-CB 3.3Å; P426-T430 PolarHBondContact O-N 3.4Å; P426-T430 PolarHBondContact O-OG1 3.23Å; H427-T430 PolarHBondContact O-N 2.92Å; V428-T430 VanDerWaalsContact C-N 3.32Å; V428-T430 PolarHBondContact O-N 2.97Å; T430-L432 PolarHBondContact O-N 2.93Å; T430-G433 PolarHBondContact O-N 2.94Å; T430-L434 HydrophobicContact CG2-CD1 4.01Å; T430-L434 WeakPolarHBondContact O-CB 3.14Å; T430-L434 VanDerWaalsContact O-CG 3.29Å; T430-L434 WeakPolarHBondContact O-CG 3.31Å; T430-L434 PolarHBondContact O-N 3.35Å; T430-M480 HydrophobicContact CG2-CE 4.11Å
431L88.1Confident83.3Confident51 Ų5161.9 Ų61.927%0.26731%0.313SS..Hα-helixtrans-64.9-38.1178.1-71.8175.7000112.4L408 V412 I415 H427 V428 L434 S435L408-L431 HydrophobicContact CD1-CD2 4.39Å; V412-L431 HydrophobicContact CG2-CD1 4.39Å; V412-L431 HydrophobicContact CG2-CD2 3.87Å; I415-L431 HydrophobicContact CD1-CD2 4.37Å; H427-L431 WeakPolarHBondContact O-CG 3.29Å; H427-L431 PolarHBondContact O-N 3.42Å; V428-L431 PolarHBondContact O-N 3.37Å; L431-L434 PolarHBondContact O-N 2.8Å; L431-S435 WeakPolarHBondContact O-CB 3.24Å; L431-S435 PolarHBondContact O-N 3.07Å; L431-S435 PolarHBondContact O-OG 2.79Å
432L88.9Confident84.5Confident109 Ų10954.2 Ų54.257%0.57128%0.277SS*.Hα-helixtrans-66-40.3176-177.562.5000112V428 T430 S435 L436V428-L432 WeakPolarHBondContact O-CB 3.19Å; V428-L432 PolarHBondContact O-N 3.21Å; T430-L432 PolarHBondContact O-N 2.93Å; L432-S435 PolarHBondContact O-OG 2.87Å; L432-L436 PolarHBondContact O-N 3.07Å
433G89.3Confident86Confident4 Ų453.3 Ų53.34%0.04127%0.271CS..Hα-helixtrans-67.4-40.4173.800000112.8L429 T430 L436 V437 W476L429-G433 PolarHBondContact O-N 3.26Å; T430-G433 PolarHBondContact O-N 2.94Å; G433-L436 WeakPolarHBondContact O-CB 3.45Å; G433-L436 PolarHBondContact O-N 2.93Å; G433-V437 VanDerWaalsContact O-CG2 3.31Å; G433-V437 WeakPolarHBondContact O-CG2 3.45Å; G433-V437 PolarHBondContact O-N 2.89Å; G433-W476 VanDerWaalsContact CA-CD1 3.45Å
434L90.8Very high87.4Confident24 Ų2446.2 Ų46.213%0.12624%0.239CC..Hα-helixtrans-64.8-41.8176-73.3169.9000112.1M411 T430 L431 L436 V437 L438 W476M411-L434 HydrophobicContact CE-CD1 3.36Å; M411-L434 HydrophobicContact SD-CD1 3.81Å; T430-L434 HydrophobicContact CG2-CD1 4.01Å; T430-L434 WeakPolarHBondContact O-CB 3.14Å; T430-L434 VanDerWaalsContact O-CG 3.29Å; T430-L434 WeakPolarHBondContact O-CG 3.31Å; T430-L434 PolarHBondContact O-N 3.35Å; L431-L434 PolarHBondContact O-N 2.8Å; L434-L436 VanDerWaalsContact C-N 3.26Å; L434-L436 PolarHBondContact O-N 3.41Å; L434-V437 PolarHBondContact O-N 3.09Å; L434-L438 VanDerWaalsContact O-CB 3.29Å; L434-L438 WeakPolarHBondContact O-CB 3.43Å; L434-L438 WeakPolarHBondContact O-CG 3.32Å; L434-L438 PolarHBondContact O-N 2.89Å; L434-W476 HydrophobicContact CD2-CH2 4.46Å; L434-W476 HydrophobicContact CD2-CZ2 4.36Å; L434-W476 HydrophobicContact CG-CZ2 4.44Å
435S92.6Very high88.1Confident22 Ų2243.6 Ų43.615%0.15423%0.227CC..Hα-helixtrans-62.5-36.5177.265.60000112L431 L432 G439 L440 P441L431-S435 WeakPolarHBondContact O-CB 3.24Å; L431-S435 PolarHBondContact O-N 3.07Å; L431-S435 PolarHBondContact O-OG 2.79Å; L432-S435 PolarHBondContact O-OG 2.87Å; S435-G439 PolarHBondContact O-N 2.88Å; S435-L440 PolarHBondContact O-N 2.86Å; S435-P441 WeakPolarHBondContact O-CD 3.38Å
436L92.2Very high88.6Confident20 Ų2036.7 Ų36.711%0.10520%0.202CC..Hα-helixtrans-67.6-46.3173.9-178.378.3000112.3L432 G433 L434 L438 G439 P441 I465 L472 I473L432-L436 PolarHBondContact O-N 3.07Å; G433-L436 WeakPolarHBondContact O-CB 3.45Å; G433-L436 PolarHBondContact O-N 2.93Å; L434-L436 VanDerWaalsContact C-N 3.26Å; L434-L436 PolarHBondContact O-N 3.41Å; L436-L438 VanDerWaalsContact C-N 3.29Å; L436-L438 PolarHBondContact O-N 2.89Å; L436-G439 PolarHBondContact O-N 2.81Å; L436-P441 HydrophobicContact CD1-CG 4.39Å; L436-I465 HydrophobicContact CD1-CG2 4.42Å; L436-L472 HydrophobicContact CD1-CB 4.22Å; L436-L472 HydrophobicContact CD1-CD1 3.9Å; L436-L472 HydrophobicContact CD2-CB 3.27Å; L436-L472 HydrophobicContact CD2-CD1 4.43Å; L436-L472 HydrophobicContact CD2-CG 4.48Å; L436-L472 HydrophobicContact CG-CB 4.34Å; L436-I473 HydrophobicContact CD2-CG1 3.79Å; L436-I473 HydrophobicContact CG-CG1 4.19Å
437V92.5Very high88.6Confident1 Ų139.4 Ų39.41%0.00621%0.209CC..Hα-helixtrans-62.5-38177.3166.70000111.5L268 E315 G433 L434 G439 I473 W476L268-V437 HydrophobicContact CD2-CB 4.48Å; L268-V437 HydrophobicContact CD2-CG1 3.78Å; L268-V437 WeakPolarHBondContact CD2-O 3.45Å; E315-V437 HydrophobicContact CB-CG1 4.2Å; E315-V437 HydrophobicContact CG-CG1 3.77Å; G433-V437 VanDerWaalsContact O-CG2 3.31Å; G433-V437 WeakPolarHBondContact O-CG2 3.45Å; G433-V437 PolarHBondContact O-N 2.89Å; L434-V437 PolarHBondContact O-N 3.09Å; V437-G439 PolarHBondContact O-N 3.19Å; V437-I473 HydrophobicContact CG2-CD1 4.42Å; V437-I473 HydrophobicContact CG2-CG1 4.12Å; V437-I473 HydrophobicContact CG2-CG2 4.33Å; V437-W476 HydrophobicContact CG2-CE3 3.93Å; V437-W476 HydrophobicContact CG2-CH2 4.28Å; V437-W476 HydrophobicContact CG2-CZ3 3.66Å
438L93.3Very high88.2Confident5 Ų538.1 Ų38.13%0.02621%0.205CC..THydrogen-bonded Turntrans-74.2-6175.8-69.2173.1000113.5E315 L319 N404 L408 L434 L436 L440E315-L438 HydrophobicContact CB-CD2 4.08Å; L319-L438 HydrophobicContact CD1-CD1 4.04Å; N404-L438 HydrophobicContact CB-CB 4.23Å; N404-L438 HydrophobicContact CB-CD2 4.29Å; N404-L438 PolarHBondContact ND2-O 3.2Å; L408-L438 HydrophobicContact CB-CD1 3.94Å; L408-L438 HydrophobicContact CD1-CD1 4.07Å; L408-L438 HydrophobicContact CG-CD1 4.41Å; L434-L438 VanDerWaalsContact O-CB 3.29Å; L434-L438 WeakPolarHBondContact O-CB 3.43Å; L434-L438 WeakPolarHBondContact O-CG 3.32Å; L434-L438 PolarHBondContact O-N 2.89Å; L436-L438 VanDerWaalsContact C-N 3.29Å; L436-L438 PolarHBondContact O-N 2.89Å; L438-L440 VanDerWaalsContact C-N 3.33Å; L438-L440 HydrophobicContact CB-CG 4.36Å; L438-L440 PolarHBondContact O-N 3.3Å
439G90.9Very high87.5Confident2 Ų240.2 Ų40.22%0.02121%0.209CC..THydrogen-bonded Turntrans72.819.4178.100000114.6S435 L436 V437 P441 W442S435-G439 PolarHBondContact O-N 2.88Å; L436-G439 PolarHBondContact O-N 2.81Å; V437-G439 PolarHBondContact O-N 3.19Å; G439-P441 VanDerWaalsContact C-CD 3.41Å; G439-P441 VanDerWaalsContact C-N 3.34Å; G439-W442 VanDerWaalsContact O-CB 3.26Å; G439-W442 WeakPolarHBondContact O-CB 3.43Å; G439-W442 PolarHBondContact O-N 2.93Å; G439-W442 VanDerWaalsContact O-N 3.08Å
440L92.4Very high86.6Confident27 Ų2738.9 Ų38.914%0.14121%0.207CC..G310 helixtrans-58.5-36.9179.2-62.7-173.8000114.3F401 N404 L405 L408 S435 L438 W442 A443F401-L440 HydrophobicContact CD2-CD2 3.8Å; F401-L440 HydrophobicContact CE2-CD2 3.68Å; N404-L440 HydrophobicContact CB-CD2 4.38Å; L405-L440 HydrophobicContact CB-CD2 4.37Å; L408-L440 HydrophobicContact CD2-CD1 3.27Å; S435-L440 PolarHBondContact O-N 2.86Å; L438-L440 VanDerWaalsContact C-N 3.33Å; L438-L440 HydrophobicContact CB-CG 4.36Å; L438-L440 PolarHBondContact O-N 3.3Å; L440-W442 PolarHBondContact O-N 3.49Å; L440-W442 VanDerWaalsContact O-N 3.11Å; L440-A443 VanDerWaalsContact O-CB 3.24Å; L440-A443 WeakPolarHBondContact O-CB 3.33Å; L440-A443 PolarHBondContact O-N 3.4Å
441P91.9Very high85.5Confident30 Ų3042.6 Ų42.620%0.19523%0.234CC..G310 helixtrans-62-18.5177.1-24.534.9000114.5S435 L436 G439 A443 L444 I465S435-P441 WeakPolarHBondContact O-CD 3.38Å; L436-P441 HydrophobicContact CD1-CG 4.39Å; G439-P441 VanDerWaalsContact C-CD 3.41Å; G439-P441 VanDerWaalsContact C-N 3.34Å; P441-A443 PolarHBondContact O-N 3.43Å; P441-L444 WeakPolarHBondContact O-CB 3.29Å; P441-L444 VanDerWaalsContact O-CG 3.25Å; P441-L444 WeakPolarHBondContact O-CG 2.84Å; P441-L444 PolarHBondContact O-N 3.5Å; P441-I465 HydrophobicContact CB-CB 4.45Å; P441-I465 HydrophobicContact CB-CD1 4.31Å; P441-I465 HydrophobicContact CB-CG2 3.41Å; P441-I465 VanDerWaalsContact CB-CG2 3.41Å; P441-I465 HydrophobicContact CG-CG2 4.08Å
442W91.3Very high84.4Confident28 Ų2842.7 Ų42.711%0.10625%0.247CC..G310 helixtrans-65.5-19.3175.3-71.856.8000112.2L275 L305 M312 F397 G439 L440 L444 V445 F462 T466L275-W442 HydrophobicContact CD2-CH2 4Å; L305-W442 HydrophobicContact CD1-CH2 4.01Å; L305-W442 HydrophobicContact CD1-CZ3 3.74Å; M312-W442 HydrophobicContact CE-CZ2 4.12Å; F397-W442 HydrophobicContact CD2-CB 4.45Å; F397-W442 HydrophobicContact CE2-CB 3.45Å; F397-W442 VanDerWaalsContact CE2-CB 3.45Å; F397-W442 HydrophobicContact CE2-CG 4.4Å; F397-W442 VanDerWaalsContact CZ-C 3.44Å; F397-W442 HydrophobicContact CZ-CB 3.51Å; G439-W442 VanDerWaalsContact O-CB 3.26Å; G439-W442 WeakPolarHBondContact O-CB 3.43Å; G439-W442 PolarHBondContact O-N 2.93Å; G439-W442 VanDerWaalsContact O-N 3.08Å; L440-W442 PolarHBondContact O-N 3.49Å; L440-W442 VanDerWaalsContact O-N 3.11Å; W442-L444 PolarHBondContact O-N 2.78Å; W442-V445 WeakPolarHBondContact O-CB 3.36Å; W442-V445 VanDerWaalsContact O-CG1 3.23Å; W442-V445 WeakPolarHBondContact O-CG1 3.16Å; W442-V445 PolarHBondContact O-N 2.66Å; W442-F462 HydrophobicContact CB-CE2 4.43Å; W442-F462 HydrophobicContact CE3-CE2 4.44Å; W442-F462 HydrophobicContact CE3-CZ 4.46Å; W442-T466 HydrophobicContact CD2-CG2 3.83Å; W442-T466 HydrophobicContact CE3-CG2 4.33Å; W442-T466 HydrophobicContact CG-CG2 4.15Å; W442-T466 HydrophobicContact CZ2-CG2 4.03Å
443A91.1Very high83.7Confident14 Ų1443.5 Ų43.512%0.11626%0.257CS..G310 helixtrans-63-13.7177.200000113.2F397 F401 L440 P441 V445 F446F397-A443 HydrophobicContact CZ-CB 4.43Å; F401-A443 HydrophobicContact CD2-CB 3.89Å; F401-A443 HydrophobicContact CE1-CB 4.35Å; F401-A443 HydrophobicContact CE2-CB 3.39Å; F401-A443 HydrophobicContact CZ-CB 3.66Å; L440-A443 VanDerWaalsContact O-CB 3.24Å; L440-A443 WeakPolarHBondContact O-CB 3.33Å; L440-A443 PolarHBondContact O-N 3.4Å; P441-A443 PolarHBondContact O-N 3.43Å; A443-V445 PolarHBondContact O-N 2.91Å; A443-V445 VanDerWaalsContact O-N 3.12Å; A443-F446 HydrophobicContact CB-CD2 4.12Å; A443-F446 HydrophobicContact CB-CE2 4.41Å; A443-F446 WeakPolarHBondContact O-CD2 3.25Å; A443-F446 PolarHBondContact O-N 2.7Å
444L88.7Confident83Confident39 Ų3948.3 Ų48.320%0.20428%0.277CS..G310 helixtrans-53.9-26.5168.3-67.7178.1000112.4P441 W442 F446 F447 I458 L461 F462 I465P441-L444 WeakPolarHBondContact O-CB 3.29Å; P441-L444 VanDerWaalsContact O-CG 3.25Å; P441-L444 WeakPolarHBondContact O-CG 2.84Å; P441-L444 PolarHBondContact O-N 3.5Å; W442-L444 PolarHBondContact O-N 2.78Å; L444-F446 PolarHBondContact O-N 3.03Å; L444-F447 PolarHBondContact O-N 2.66Å; L444-I458 HydrophobicContact CB-CG2 4.37Å; L444-I458 HydrophobicContact CD2-CD1 4.45Å; L444-I458 WeakPolarHBondContact O-CG2 3.42Å; L444-L461 HydrophobicContact CD1-CB 4.07Å; L444-F462 HydrophobicContact CB-CB 4.2Å; L444-F462 HydrophobicContact CB-CD2 4.23Å; L444-I465 HydrophobicContact CD1-CD1 3.69Å
445V84.5Confident82.2Confident37 Ų3750.9 Ų50.922%0.22429%0.288CS..G310 helixtrans-59.4-30.3174.777.10000113L394 F397 W442 A443 F447 S448 F462L394-V445 HydrophobicContact CD1-CG1 4.33Å; F397-V445 HydrophobicContact CD1-CG1 4.08Å; F397-V445 HydrophobicContact CE1-CG1 3.66Å; W442-V445 WeakPolarHBondContact O-CB 3.36Å; W442-V445 VanDerWaalsContact O-CG1 3.23Å; W442-V445 WeakPolarHBondContact O-CG1 3.16Å; W442-V445 PolarHBondContact O-N 2.66Å; A443-V445 PolarHBondContact O-N 2.91Å; A443-V445 VanDerWaalsContact O-N 3.12Å; V445-F447 PolarHBondContact O-N 2.79Å; V445-S448 WeakPolarHBondContact O-CB 2.99Å; V445-S448 PolarHBondContact O-N 2.94Å; V445-S448 VanDerWaalsContact O-N 3.16Å; V445-S448 PolarHBondContact O-OG 2.76Å; V445-F462 HydrophobicContact CB-CD2 4.3Å; V445-F462 HydrophobicContact CB-CE2 3.93Å; V445-F462 HydrophobicContact CB-CZ 4.32Å; V445-F462 HydrophobicContact CG2-CZ 4.44Å
446F85.9Confident81.5Confident70 Ų7052.4 Ų52.431%0.30729%0.294SS..G310 helixtrans-68.8-24.1177.3-64.2-62.3000112.5L394 F397 S398 F401 A443 L444 S448 F449L394-F446 HydrophobicContact CD1-CD1 4.17Å; L394-F446 HydrophobicContact CD1-CE1 3.58Å; L394-F446 HydrophobicContact CD1-CZ 4.27Å; L394-F446 HydrophobicContact CG-CE1 4.3Å; F397-F446 HydrophobicContact CD1-CE2 4.01Å; F397-F446 AromaticContact CD1-CZ 3.71Å; F397-F446 HydrophobicContact CD1-CZ 3.71Å; F397-F446 HydrophobicContact CE1-CD2 4.18Å; F397-F446 AromaticContact CE1-CE2 3.39Å; F397-F446 HydrophobicContact CE1-CE2 3.39Å; F397-F446 AromaticContact CE1-CZ 3.6Å; F397-F446 HydrophobicContact CE1-CZ 3.6Å; F397-F446 HydrophobicContact CZ-CE2 4.27Å; S398-F446 WeakPolarHBondContact OG-CZ 3.18Å; F401-F446 HydrophobicContact CD1-CE2 4.17Å; A443-F446 HydrophobicContact CB-CD2 4.12Å; A443-F446 HydrophobicContact CB-CE2 4.41Å; A443-F446 WeakPolarHBondContact O-CD2 3.25Å; A443-F446 PolarHBondContact O-N 2.7Å; L444-F446 PolarHBondContact O-N 3.03Å; F446-S448 VanDerWaalsContact C-N 3.32Å; F446-F449 WeakPolarHBondContact O-CD2 3.24Å
447F80.2Confident81.2Confident116 Ų11655.3 Ų55.351%0.50931%0.313SS..G310 helixtrans-84.4-6.8176.6-62.4-79.1000112.7L444 V445 F449 A450 F454 I458L444-F447 PolarHBondContact O-N 2.66Å; V445-F447 PolarHBondContact O-N 2.79Å; F447-F449 PolarHBondContact O-N 2.83Å; F447-A450 WeakPolarHBondContact O-CB 3.36Å; F447-A450 PolarHBondContact O-N 2.89Å; F447-F454 HydrophobicContact CB-CE1 4.34Å; F447-I458 HydrophobicContact CB-CD1 4.28Å; F447-I458 HydrophobicContact CB-CG1 4.08Å; F447-I458 HydrophobicContact CB-CG2 3.92Å
448S72Confident80.8Confident24 Ų2455.8 Ų55.817%0.16832%0.315CS..G310 helixtrans-74-7176.676.20000113.7V445 F446 A450 Q455V445-S448 WeakPolarHBondContact O-CB 2.99Å; V445-S448 PolarHBondContact O-N 2.94Å; V445-S448 VanDerWaalsContact O-N 3.16Å; V445-S448 PolarHBondContact O-OG 2.76Å; F446-S448 VanDerWaalsContact C-N 3.32Å; S448-A450 VanDerWaalsContact C-N 3.3Å; S448-Q455 WeakPolarHBondContact O-CG 3.4Å; S448-Q455 PolarHBondContact O-NE2 2.9Å
449F68.7Low80.3Confident120 Ų12058.2 Ų58.253%0.52633%0.328SS..G310 helixtrans-82.6-6.1172-62.8-72.2000113.2Y390 L394 F446 F447Y390-F449 HydrophobicContact CE1-CE1 4.31Å; Y390-F449 HydrophobicContact CE1-CZ 4.16Å; L394-F449 HydrophobicContact CD2-CE2 4.38Å; L394-F449 HydrophobicContact CD2-CZ 4.15Å; F446-F449 WeakPolarHBondContact O-CD2 3.24Å; F447-F449 PolarHBondContact O-N 2.83Å
450A67Low80.1Confident36 Ų3660.8 Ų60.830%0.29834%0.337SS..SBendtrans-70.5148.2171.500000110.8F447 S448 F454 Q455F447-A450 WeakPolarHBondContact O-CB 3.36Å; F447-A450 PolarHBondContact O-N 2.89Å; S448-A450 VanDerWaalsContact C-N 3.3Å; A450-F454 HydrophobicContact CB-CD1 3.8Å; A450-F454 HydrophobicContact CB-CE1 4.34Å; A450-Q455 VanDerWaalsContact O-CB 3.27Å; A450-Q455 WeakPolarHBondContact O-CB 3.31Å; A450-Q455 WeakPolarHBondContact O-CG 3.17Å
451S63.3Low80Confident116 Ų11663.2 Ų63.281%0.81135%0.35SS*.  trans-90.2148.5179.6-56.40000112.5
452G65Low79.9Confident52 Ų5263.9 Ų63.954%0.53635%0.35SS..SBendtrans91.5-153.4166.800000115.4F454 Q455G452-F454 PolarHBondContact O-N 2.91Å; G452-Q455 VanDerWaalsContact O-CB 3.29Å; G452-Q455 WeakPolarHBondContact O-CB 3.31Å; G452-Q455 PolarHBondContact O-N 3.15Å
453T73.6Confident79.7Confident126 Ų12663.4 Ų63.477%0.77335%0.351SS*.Hα-helixtrans-62.5-28.4-174.849.80000113.5L456 V457T453-L456 WeakPolarHBondContact O-CB 3.46Å; T453-L456 PolarHBondContact O-N 2.82Å; T453-V457 PolarHBondContact O-N 2.78Å
454F75.7Confident79.7Confident106 Ų10666.1 Ų66.147%0.46536%0.363SS..Hα-helixtrans-65.1-38.8177.1-176.2-104.7000112.3F447 A450 G452 L456 V457 I458F447-F454 HydrophobicContact CB-CE1 4.34Å; A450-F454 HydrophobicContact CB-CD1 3.8Å; A450-F454 HydrophobicContact CB-CE1 4.34Å; G452-F454 PolarHBondContact O-N 2.91Å; F454-L456 PolarHBondContact O-N 3.13Å; F454-V457 PolarHBondContact O-N 3.01Å; F454-I458 HydrophobicContact CD1-CG1 4.09Å; F454-I458 HydrophobicContact CE1-CD1 4.15Å; F454-I458 HydrophobicContact CE1-CG1 3.68Å; F454-I458 HydrophobicContact CE2-CD1 4.24Å; F454-I458 HydrophobicContact CE2-CG1 4.28Å; F454-I458 HydrophobicContact CZ-CD1 3.77Å; F454-I458 HydrophobicContact CZ-CG1 3.78Å; F454-I458 WeakPolarHBondContact O-CG1 3.41Å; F454-I458 PolarHBondContact O-N 2.86Å; F454-I458 VanDerWaalsContact O-N 3.1Å
455Q73.7Confident79.8Confident77 Ų7766.3 Ų66.336%0.3636%0.363SS..Hα-helixtrans-55-44.3175.8-165.3-174.91.200111.2S448 A450 G452 I458 L459S448-Q455 WeakPolarHBondContact O-CG 3.4Å; S448-Q455 PolarHBondContact O-NE2 2.9Å; A450-Q455 VanDerWaalsContact O-CB 3.27Å; A450-Q455 WeakPolarHBondContact O-CB 3.31Å; A450-Q455 WeakPolarHBondContact O-CG 3.17Å; G452-Q455 VanDerWaalsContact O-CB 3.29Å; G452-Q455 WeakPolarHBondContact O-CB 3.31Å; G452-Q455 PolarHBondContact O-N 3.15Å; Q455-I458 PolarHBondContact O-N 3.27Å; Q455-L459 HydrophobicContact CG-CD1 4.18Å; Q455-L459 VanDerWaalsContact O-CG 3.3Å; Q455-L459 WeakPolarHBondContact O-CG 3.49Å; Q455-L459 PolarHBondContact O-N 2.65Å
456L77.8Confident80.1Confident55 Ų5565.7 Ų65.729%0.28836%0.36SS..Hα-helixtrans-62.1-48.3-178.6-170.770.5000111.2H224 T453 F454 I458 L459 Y460H224-L456 HydrophobicContact CB-CD1 3.79Å; T453-L456 WeakPolarHBondContact O-CB 3.46Å; T453-L456 PolarHBondContact O-N 2.82Å; F454-L456 PolarHBondContact O-N 3.13Å; L456-I458 VanDerWaalsContact C-N 3.31Å; L456-I458 PolarHBondContact O-N 2.9Å; L456-L459 PolarHBondContact O-N 3.43Å; L456-Y460 HydrophobicContact CD1-CD2 4.25Å; L456-Y460 HydrophobicContact CD1-CE2 3.83Å; L456-Y460 HydrophobicContact CD2-CE2 4.44Å; L456-Y460 HydrophobicContact CG-CD2 4.05Å; L456-Y460 HydrophobicContact CG-CE2 3.88Å; L456-Y460 VanDerWaalsContact O-CD2 3.3Å; L456-Y460 WeakPolarHBondContact O-CD2 3.4Å; L456-Y460 PolarHBondContact O-N 2.91Å
457V85.2Confident80.3Confident80 Ų8062.5 Ų62.549%0.48535%0.346SS..Hα-helixtrans-57.9-45.2178.1177.40000111T453 F454 Y460 L461T453-V457 PolarHBondContact O-N 2.78Å; F454-V457 PolarHBondContact O-N 3.01Å; V457-Y460 PolarHBondContact O-N 2.87Å; V457-L461 HydrophobicContact CG1-CD1 4.13Å; V457-L461 WeakPolarHBondContact O-CG 3.3Å; V457-L461 PolarHBondContact O-N 3.49Å
458I84.3Confident80.9Confident12 Ų1259 Ų596%0.06233%0.331CS..Hα-helixtrans-63.7-41.5178.3-65.9-59.7000111.7L444 F447 F454 Q455 L456 L461 F462L444-I458 HydrophobicContact CB-CG2 4.37Å; L444-I458 HydrophobicContact CD2-CD1 4.45Å; L444-I458 WeakPolarHBondContact O-CG2 3.42Å; F447-I458 HydrophobicContact CB-CD1 4.28Å; F447-I458 HydrophobicContact CB-CG1 4.08Å; F447-I458 HydrophobicContact CB-CG2 3.92Å; F454-I458 HydrophobicContact CD1-CG1 4.09Å; F454-I458 HydrophobicContact CE1-CD1 4.15Å; F454-I458 HydrophobicContact CE1-CG1 3.68Å; F454-I458 HydrophobicContact CE2-CD1 4.24Å; F454-I458 HydrophobicContact CE2-CG1 4.28Å; F454-I458 HydrophobicContact CZ-CD1 3.77Å; F454-I458 HydrophobicContact CZ-CG1 3.78Å; F454-I458 WeakPolarHBondContact O-CG1 3.41Å; F454-I458 PolarHBondContact O-N 2.86Å; F454-I458 VanDerWaalsContact O-N 3.1Å; Q455-I458 PolarHBondContact O-N 3.27Å; L456-I458 VanDerWaalsContact C-N 3.31Å; L456-I458 PolarHBondContact O-N 2.9Å; I458-L461 PolarHBondContact O-N 3.36Å; I458-F462 VanDerWaalsContact O-CB 3.28Å; I458-F462 WeakPolarHBondContact O-CB 3.39Å; I458-F462 PolarHBondContact O-N 2.93Å
459L81.9Confident81.9Confident56 Ų5658 Ų5829%0.29332%0.324SS..Hα-helixtrans-61.7-44.7177-74.2170.1000111.8Q455 L456 F462 S463Q455-L459 HydrophobicContact CG-CD1 4.18Å; Q455-L459 VanDerWaalsContact O-CG 3.3Å; Q455-L459 WeakPolarHBondContact O-CG 3.49Å; Q455-L459 PolarHBondContact O-N 2.65Å; L456-L459 PolarHBondContact O-N 3.43Å; L459-F462 PolarHBondContact O-N 3.28Å; L459-S463 WeakPolarHBondContact O-CB 3.4Å; L459-S463 PolarHBondContact O-N 3.39Å; L459-S463 PolarHBondContact O-OG 3.34Å
460Y87.9Confident83Confident55 Ų5552.3 Ų52.322%0.21630%0.299CS..Hα-helixtrans-60.7-46.6174.7-86.1-84.8000112H224 L228 L231 L456 V457 S463 I464H224-Y460 HydrophobicContact CB-CE2 4.48Å; H224-Y460 AromaticContact ND1-CE2 3.67Å; H224-Y460 AromaticContact ND1-CZ 3.77Å; H224-Y460 PolarHBondContact ND1-OH 2.89Å; L228-Y460 HydrophobicContact CD2-CD1 3.57Å; L228-Y460 HydrophobicContact CD2-CD2 4.08Å; L228-Y460 HydrophobicContact CD2-CE1 3.79Å; L228-Y460 HydrophobicContact CD2-CE2 4.27Å; L228-Y460 HydrophobicContact CD2-CG 3.73Å; L228-Y460 HydrophobicContact CG-CD1 4.34Å; L228-Y460 HydrophobicContact CG-CE1 4.06Å; L228-Y460 HydrophobicContact CG-CE2 4.31Å; L231-Y460 HydrophobicContact CD2-CD1 4.21Å; L456-Y460 HydrophobicContact CD1-CD2 4.25Å; L456-Y460 HydrophobicContact CD1-CE2 3.83Å; L456-Y460 HydrophobicContact CD2-CE2 4.44Å; L456-Y460 HydrophobicContact CG-CD2 4.05Å; L456-Y460 HydrophobicContact CG-CE2 3.88Å; L456-Y460 VanDerWaalsContact O-CD2 3.3Å; L456-Y460 WeakPolarHBondContact O-CD2 3.4Å; L456-Y460 PolarHBondContact O-N 2.91Å; V457-Y460 PolarHBondContact O-N 2.87Å; Y460-S463 PolarHBondContact O-N 2.92Å; Y460-I464 VanDerWaalsContact O-CG1 3.24Å; Y460-I464 WeakPolarHBondContact O-CG1 3.29Å; Y460-I464 PolarHBondContact O-N 2.82Å
461L90.4Very high84.2Confident79 Ų7953.6 Ų53.641%0.41430%0.298SS..Hα-helixtrans-62.2-46178.4-72173.6000111.9L444 V457 I458 I464 I465L444-L461 HydrophobicContact CD1-CB 4.07Å; V457-L461 HydrophobicContact CG1-CD1 4.13Å; V457-L461 WeakPolarHBondContact O-CG 3.3Å; V457-L461 PolarHBondContact O-N 3.49Å; I458-L461 PolarHBondContact O-N 3.36Å; L461-I464 PolarHBondContact O-N 3.38Å; L461-I465 VanDerWaalsContact O-CG1 3.29Å; L461-I465 WeakPolarHBondContact O-CG1 3.01Å; L461-I465 PolarHBondContact O-N 2.77Å
462F89.2Confident85.6Confident44 Ų4451 Ų5119%0.19327%0.274CS..Hα-helixtrans-60.1-48.6176.9175.4-100.5000111.2W442 L444 V445 I458 L459 I464 I465 T466W442-F462 HydrophobicContact CB-CE2 4.43Å; W442-F462 HydrophobicContact CE3-CE2 4.44Å; W442-F462 HydrophobicContact CE3-CZ 4.46Å; L444-F462 HydrophobicContact CB-CB 4.2Å; L444-F462 HydrophobicContact CB-CD2 4.23Å; V445-F462 HydrophobicContact CB-CD2 4.3Å; V445-F462 HydrophobicContact CB-CE2 3.93Å; V445-F462 HydrophobicContact CB-CZ 4.32Å; V445-F462 HydrophobicContact CG2-CZ 4.44Å; I458-F462 VanDerWaalsContact O-CB 3.28Å; I458-F462 WeakPolarHBondContact O-CB 3.39Å; I458-F462 PolarHBondContact O-N 2.93Å; L459-F462 PolarHBondContact O-N 3.28Å; F462-I464 PolarHBondContact O-N 2.83Å; F462-I465 PolarHBondContact O-N 3.21Å; F462-T466 HydrophobicContact CD1-CG2 4.43Å; F462-T466 HydrophobicContact CD2-CG2 3.78Å; F462-T466 HydrophobicContact CE1-CG2 4.14Å; F462-T466 HydrophobicContact CE2-CG2 3.45Å; F462-T466 VanDerWaalsContact CE2-CG2 3.45Å; F462-T466 HydrophobicContact CG-CG2 4.27Å; F462-T466 HydrophobicContact CZ-CG2 3.65Å; F462-T466 WeakPolarHBondContact O-CB 3.48Å; F462-T466 VanDerWaalsContact O-CG2 3.31Å; F462-T466 WeakPolarHBondContact O-CG2 3.45Å; F462-T466 PolarHBondContact O-N 2.75Å; F462-T466 PolarHBondContact O-OG1 3.11Å
463S87.1Confident86.8Confident17 Ų1748.7 Ų48.712%0.11925%0.249CC..Hα-helixtrans-60.1-42.4177.7-72.10000112.7L459 Y460 T466 S467L459-S463 WeakPolarHBondContact O-CB 3.4Å; L459-S463 PolarHBondContact O-N 3.39Å; L459-S463 PolarHBondContact O-OG 3.34Å; Y460-S463 PolarHBondContact O-N 2.92Å; S463-T466 PolarHBondContact O-OG1 3.06Å; S463-S467 WeakPolarHBondContact O-CB 3.5Å; S463-S467 PolarHBondContact O-N 3.46Å; S463-S467 PolarHBondContact O-OG 3.02Å
464I91.6Very high87.5Confident72 Ų7244.3 Ų44.337%0.36922%0.22SC..Hα-helixtrans-62.9-51.8176.6-68.2164.9000110.3L231 Y460 L461 F462 T466 S467 F468L231-I464 HydrophobicContact CD1-CG1 4.29Å; L231-I464 HydrophobicContact CD2-CD1 4.09Å; L231-I464 HydrophobicContact CD2-CG1 3.44Å; L231-I464 VanDerWaalsContact CD2-CG1 3.44Å; L231-I464 HydrophobicContact CG-CG1 4.12Å; Y460-I464 VanDerWaalsContact O-CG1 3.24Å; Y460-I464 WeakPolarHBondContact O-CG1 3.29Å; Y460-I464 PolarHBondContact O-N 2.82Å; L461-I464 PolarHBondContact O-N 3.38Å; F462-I464 PolarHBondContact O-N 2.83Å; I464-T466 PolarHBondContact O-N 3.06Å; I464-S467 PolarHBondContact O-OG 2.58Å; I464-F468 HydrophobicContact CG2-CD2 4.42Å; I464-F468 WeakPolarHBondContact O-CB 3.09Å; I464-F468 WeakPolarHBondContact O-CD2 3.19Å; I464-F468 PolarHBondContact O-N 2.97Å; I464-F468 VanDerWaalsContact O-N 3.1Å
465I90.3Very high88.3Confident42 Ų4243.1 Ų43.122%0.21522%0.218CC..Hα-helixtrans-68.5-41.1-172.4-63.7165.8000111.3L436 P441 L444 L461 F462 Q469L436-I465 HydrophobicContact CD1-CG2 4.42Å; P441-I465 HydrophobicContact CB-CB 4.45Å; P441-I465 HydrophobicContact CB-CD1 4.31Å; P441-I465 HydrophobicContact CB-CG2 3.41Å; P441-I465 VanDerWaalsContact CB-CG2 3.41Å; P441-I465 HydrophobicContact CG-CG2 4.08Å; L444-I465 HydrophobicContact CD1-CD1 3.69Å; L461-I465 VanDerWaalsContact O-CG1 3.29Å; L461-I465 WeakPolarHBondContact O-CG1 3.01Å; L461-I465 PolarHBondContact O-N 2.77Å; F462-I465 PolarHBondContact O-N 3.21Å; I465-Q469 PolarHBondContact O-N 2.94Å
466T90.2Very high89.1Confident25 Ų2540.6 Ų40.615%0.15321%0.205CC..Hα-helixtrans-69.7-45.3179.654.20000112.1W442 F462 S463 I464 F468 Q469W442-T466 HydrophobicContact CD2-CG2 3.83Å; W442-T466 HydrophobicContact CE3-CG2 4.33Å; W442-T466 HydrophobicContact CG-CG2 4.15Å; W442-T466 HydrophobicContact CZ2-CG2 4.03Å; F462-T466 HydrophobicContact CD1-CG2 4.43Å; F462-T466 HydrophobicContact CD2-CG2 3.78Å; F462-T466 HydrophobicContact CE1-CG2 4.14Å; F462-T466 HydrophobicContact CE2-CG2 3.45Å; F462-T466 VanDerWaalsContact CE2-CG2 3.45Å; F462-T466 HydrophobicContact CG-CG2 4.27Å; F462-T466 HydrophobicContact CZ-CG2 3.65Å; F462-T466 WeakPolarHBondContact O-CB 3.48Å; F462-T466 VanDerWaalsContact O-CG2 3.31Å; F462-T466 WeakPolarHBondContact O-CG2 3.45Å; F462-T466 PolarHBondContact O-N 2.75Å; F462-T466 PolarHBondContact O-OG1 3.11Å; S463-T466 PolarHBondContact O-OG1 3.06Å; I464-T466 PolarHBondContact O-N 3.06Å; T466-F468 VanDerWaalsContact C-N 3.32Å; T466-F468 PolarHBondContact O-N 3.36Å; T466-Q469 VanDerWaalsContact O-CB 3.31Å; T466-Q469 WeakPolarHBondContact O-CB 3.3Å; T466-Q469 PolarHBondContact O-N 2.96Å
467S91.4Very high89.5Confident3 Ų339.7 Ų39.72%0.02120%0.198CC..Hα-helixtrans-68.3-29.3-179.462.60000113.5G235 C236 S239 S463 I464G235-S467 CarbonylContact C-O 3.6Å; G235-S467 VanDerWaalsContact O-O 3.07Å; C236-S467 PolarHBondContact N-O 2.87Å; S239-S467 VanDerWaalsContact CB-O 3.22Å; S239-S467 WeakPolarHBondContact CB-O 3.29Å; S463-S467 WeakPolarHBondContact O-CB 3.5Å; S463-S467 PolarHBondContact O-N 3.46Å; S463-S467 PolarHBondContact O-OG 3.02Å; I464-S467 PolarHBondContact O-OG 2.58Å
468F93.1Very high89.6Confident43 Ų4338.9 Ų38.919%0.18919%0.186CC..THydrogen-bonded Turntrans-94.98.5176.3-75.6-94.2000113.5G235 I238 I464 T466 G470 F471 L472G235-F468 VanDerWaalsContact CA-CE2 3.43Å; I238-F468 HydrophobicContact CB-CE1 4.29Å; I238-F468 HydrophobicContact CD1-CE1 3.77Å; I238-F468 HydrophobicContact CD1-CZ 4.14Å; I238-F468 HydrophobicContact CG2-CD1 4.46Å; I238-F468 HydrophobicContact CG2-CE1 4.23Å; I464-F468 HydrophobicContact CG2-CD2 4.42Å; I464-F468 WeakPolarHBondContact O-CB 3.09Å; I464-F468 WeakPolarHBondContact O-CD2 3.19Å; I464-F468 PolarHBondContact O-N 2.97Å; I464-F468 VanDerWaalsContact O-N 3.1Å; T466-F468 VanDerWaalsContact C-N 3.32Å; T466-F468 PolarHBondContact O-N 3.36Å; F468-G470 PolarHBondContact O-N 3.46Å; F468-F471 HydrophobicContact CD1-CB 4.43Å; F468-F471 HydrophobicContact CD1-CD1 4.06Å; F468-F471 WeakPolarHBondContact O-CB 3.16Å; F468-F471 PolarHBondContact O-N 2.86Å; F468-F471 VanDerWaalsContact O-N 3.16Å; F468-L472 HydrophobicContact CB-CD1 4.46Å; F468-L472 HydrophobicContact CB-CG 4.35Å; F468-L472 WeakPolarHBondContact O-CG 3.35Å; F468-L472 PolarHBondContact O-N 3.09Å
469Q92Very high89.8Confident3 Ų340.1 Ų40.11%0.01420%0.196CC..Hα-helixtrans-55.9-48.4-173.6-179.7-175.2-39.300112.7I465 T466 F471 L472 I473I465-Q469 PolarHBondContact O-N 2.94Å; T466-Q469 VanDerWaalsContact O-CB 3.31Å; T466-Q469 WeakPolarHBondContact O-CB 3.3Å; T466-Q469 PolarHBondContact O-N 2.96Å; Q469-F471 VanDerWaalsContact C-N 3.32Å; Q469-F471 PolarHBondContact O-N 3.11Å; Q469-L472 PolarHBondContact O-N 3.11Å; Q469-I473 HydrophobicContact CG-CD1 3.83Å; Q469-I473 HydrophobicContact CG-CG1 4.41Å; Q469-I473 VanDerWaalsContact O-CG1 3.29Å; Q469-I473 WeakPolarHBondContact O-CG1 3.22Å; Q469-I473 PolarHBondContact O-N 2.81Å
470G91.3Very high89.7Confident0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-63.5-38-179.500000112.6S239 F468 I473 F474S239-G470 VanDerWaalsContact OG-CA 3.23Å; S239-G470 WeakPolarHBondContact OG-CA 3.43Å; S239-G470 PolarHBondContact OG-N 3.39Å; S239-G470 VanDerWaalsContact OG-N 3.1Å; F468-G470 PolarHBondContact O-N 3.46Å; G470-I473 PolarHBondContact O-N 2.77Å; G470-F474 WeakPolarHBondContact O-CB 3.3Å; G470-F474 PolarHBondContact O-N 3.06Å
471F93.1Very high89.4Confident63 Ų6341.3 Ų41.328%0.27620%0.2SC..Hα-helixtrans-64.7-44.4174.3176-108.2000112.5I238 A242 F468 Q469 F474 L475I238-F471 HydrophobicContact CG2-CB 4.17Å; I238-F471 HydrophobicContact CG2-CD2 3.84Å; I238-F471 HydrophobicContact CG2-CE2 4.4Å; I238-F471 HydrophobicContact CG2-CG 3.97Å; A242-F471 HydrophobicContact CB-CB 4.25Å; A242-F471 HydrophobicContact CB-CD2 4.07Å; F468-F471 HydrophobicContact CD1-CB 4.43Å; F468-F471 HydrophobicContact CD1-CD1 4.06Å; F468-F471 WeakPolarHBondContact O-CB 3.16Å; F468-F471 PolarHBondContact O-N 2.86Å; F468-F471 VanDerWaalsContact O-N 3.16Å; Q469-F471 VanDerWaalsContact C-N 3.32Å; Q469-F471 PolarHBondContact O-N 3.11Å; F471-F474 HydrophobicContact CD2-CD1 4.29Å; F471-F474 HydrophobicContact CE2-CD1 4.44Å; F471-F474 WeakPolarHBondContact O-CB 3.44Å; F471-F474 PolarHBondContact O-N 3.11Å; F471-L475 HydrophobicContact CD1-CD1 4.12Å; F471-L475 HydrophobicContact CE1-CD1 3.48Å; F471-L475 VanDerWaalsContact CE1-CD1 3.48Å; F471-L475 HydrophobicContact CE1-CG 4.13Å; F471-L475 HydrophobicContact CE2-CD1 4.39Å; F471-L475 HydrophobicContact CE2-CD2 4.34Å; F471-L475 HydrophobicContact CE2-CG 4.22Å; F471-L475 HydrophobicContact CZ-CD1 3.64Å; F471-L475 HydrophobicContact CZ-CD2 4.15Å; F471-L475 HydrophobicContact CZ-CG 3.95Å; F471-L475 WeakPolarHBondContact O-CG 3.26Å; F471-L475 PolarHBondContact O-N 3.34Å
472L92.4Very high89.1Confident61 Ų6143.3 Ų43.332%0.31921%0.205SC..Hα-helixtrans-65.7-38.4177.8-66.9174.5000111.6L436 F468 Q469 L475 W476L436-L472 HydrophobicContact CD1-CB 4.22Å; L436-L472 HydrophobicContact CD1-CD1 3.9Å; L436-L472 HydrophobicContact CD2-CB 3.27Å; L436-L472 HydrophobicContact CD2-CD1 4.43Å; L436-L472 HydrophobicContact CD2-CG 4.48Å; L436-L472 HydrophobicContact CG-CB 4.34Å; F468-L472 HydrophobicContact CB-CD1 4.46Å; F468-L472 HydrophobicContact CB-CG 4.35Å; F468-L472 WeakPolarHBondContact O-CG 3.35Å; F468-L472 PolarHBondContact O-N 3.09Å; Q469-L472 PolarHBondContact O-N 3.11Å; L472-L475 PolarHBondContact O-N 2.71Å; L472-W476 WeakPolarHBondContact O-CB 3.43Å; L472-W476 PolarHBondContact O-N 3.13Å
473I89.6Confident88.6Confident3 Ų344.9 Ų44.92%0.01521%0.213CC..Hα-helixtrans-64.9-41.2173.3-66.4170.5000110.6L268 L269 L436 V437 Q469 G470 W476 Y477L268-I473 HydrophobicContact CD2-CD1 4.18Å; L269-I473 HydrophobicContact CD1-CG2 4.49Å; L269-I473 HydrophobicContact CD2-CB 4.11Å; L269-I473 HydrophobicContact CD2-CG2 3.72Å; L269-I473 HydrophobicContact CG-CG2 4.18Å; L436-I473 HydrophobicContact CD2-CG1 3.79Å; L436-I473 HydrophobicContact CG-CG1 4.19Å; V437-I473 HydrophobicContact CG2-CD1 4.42Å; V437-I473 HydrophobicContact CG2-CG1 4.12Å; V437-I473 HydrophobicContact CG2-CG2 4.33Å; Q469-I473 HydrophobicContact CG-CD1 3.83Å; Q469-I473 HydrophobicContact CG-CG1 4.41Å; Q469-I473 VanDerWaalsContact O-CG1 3.29Å; Q469-I473 WeakPolarHBondContact O-CG1 3.22Å; Q469-I473 PolarHBondContact O-N 2.81Å; G470-I473 PolarHBondContact O-N 2.77Å; I473-W476 PolarHBondContact O-N 3.4Å; I473-Y477 WeakPolarHBondContact O-CB 3.21Å; I473-Y477 PolarHBondContact O-N 2.87Å
474F90.1Very high87.9Confident34 Ų3448.1 Ų48.115%0.14924%0.241CC..Hα-helixtrans-59-50.1175.1161.3-111.2000112A242 F245 T246 G470 F471 W476 Y477 W478A242-F474 HydrophobicContact CB-CB 4Å; A242-F474 HydrophobicContact CB-CD1 4.09Å; A242-F474 HydrophobicContact CB-CG 4.14Å; F245-F474 HydrophobicContact CD1-CD2 4.35Å; F245-F474 AromaticContact CD1-CE2 3.49Å; F245-F474 HydrophobicContact CD1-CE2 3.49Å; F245-F474 VanDerWaalsContact CD1-CE2 3.49Å; F245-F474 AromaticContact CD1-CZ 3.83Å; F245-F474 HydrophobicContact CD1-CZ 3.83Å; F245-F474 AromaticContact CE1-CE2 3.72Å; F245-F474 HydrophobicContact CE1-CE2 3.72Å; F245-F474 AromaticContact CE1-CZ 3.93Å; F245-F474 HydrophobicContact CE1-CZ 3.93Å; T246-F474 WeakPolarHBondContact OG1-CD2 3.23Å; G470-F474 WeakPolarHBondContact O-CB 3.3Å; G470-F474 PolarHBondContact O-N 3.06Å; F471-F474 HydrophobicContact CD2-CD1 4.29Å; F471-F474 HydrophobicContact CE2-CD1 4.44Å; F471-F474 WeakPolarHBondContact O-CB 3.44Å; F471-F474 PolarHBondContact O-N 3.11Å; F474-W476 VanDerWaalsContact C-N 3.29Å; F474-W476 PolarHBondContact O-N 3.2Å; F474-Y477 PolarHBondContact O-N 3.24Å; F474-W478 HydrophobicContact CE2-CB 4.4Å; F474-W478 HydrophobicContact CE2-CD2 4.25Å; F474-W478 AromaticContact CE2-CE3 3.89Å; F474-W478 HydrophobicContact CE2-CE3 3.89Å; F474-W478 HydrophobicContact CE2-CG 4.47Å; F474-W478 WeakPolarHBondContact O-CB 3.26Å; F474-W478 PolarHBondContact O-N 3.43Å
475L91Very high86.8Confident81 Ų8150.9 Ų50.942%0.42425%0.252SS..Hα-helixtrans-57.9-44.3177.4-73.7-179.1000111.5F471 L472 S479F471-L475 HydrophobicContact CD1-CD1 4.12Å; F471-L475 HydrophobicContact CE1-CD1 3.48Å; F471-L475 VanDerWaalsContact CE1-CD1 3.48Å; F471-L475 HydrophobicContact CE1-CG 4.13Å; F471-L475 HydrophobicContact CE2-CD1 4.39Å; F471-L475 HydrophobicContact CE2-CD2 4.34Å; F471-L475 HydrophobicContact CE2-CG 4.22Å; F471-L475 HydrophobicContact CZ-CD1 3.64Å; F471-L475 HydrophobicContact CZ-CD2 4.15Å; F471-L475 HydrophobicContact CZ-CG 3.95Å; F471-L475 WeakPolarHBondContact O-CG 3.26Å; F471-L475 PolarHBondContact O-N 3.34Å; L472-L475 PolarHBondContact O-N 2.71Å; L475-S479 VanDerWaalsContact O-CB 3.25Å; L475-S479 WeakPolarHBondContact O-CB 3.35Å; L475-S479 PolarHBondContact O-N 3.43Å
476W90.8Very high85.2Confident25 Ų2552 Ų5210%0.09527%0.274CS..Hα-helixtrans-61.9-49.7176.9171.368.5000112H265 G433 L434 V437 L472 I473 F474 W478 S479 M480H265-W476 AromaticContact CE1-CH2 3.98Å; H265-W476 AromaticContact NE2-CH2 3.58Å; H265-W476 AromaticContact NE2-CZ3 3.85Å; G433-W476 VanDerWaalsContact CA-CD1 3.45Å; L434-W476 HydrophobicContact CD2-CH2 4.46Å; L434-W476 HydrophobicContact CD2-CZ2 4.36Å; L434-W476 HydrophobicContact CG-CZ2 4.44Å; V437-W476 HydrophobicContact CG2-CE3 3.93Å; V437-W476 HydrophobicContact CG2-CH2 4.28Å; V437-W476 HydrophobicContact CG2-CZ3 3.66Å; L472-W476 WeakPolarHBondContact O-CB 3.43Å; L472-W476 PolarHBondContact O-N 3.13Å; I473-W476 PolarHBondContact O-N 3.4Å; F474-W476 VanDerWaalsContact C-N 3.29Å; F474-W476 PolarHBondContact O-N 3.2Å; W476-W478 VanDerWaalsContact C-N 3.31Å; W476-W478 PolarHBondContact O-N 2.93Å; W476-S479 PolarHBondContact O-N 3.35Å; W476-M480 HydrophobicContact CD2-CG 4.46Å; W476-M480 HydrophobicContact CZ2-CG 4.37Å; W476-M480 WeakPolarHBondContact O-CG 3.27Å; W476-M480 PolarHBondContact O-N 3Å
477Y87.1Confident82.9Confident35 Ų3552.9 Ų52.914%0.13729%0.288CS..Hα-helixtrans-56.8-46179175.6-99.8000111.8T246 M266 I473 F474 M480 R481T246-Y477 HydrophobicContact CG2-CD1 4Å; T246-Y477 HydrophobicContact CG2-CE1 4.34Å; M266-Y477 HydrophobicContact CE-CD2 4.49Å; M266-Y477 HydrophobicContact CE-CE2 4.16Å; I473-Y477 WeakPolarHBondContact O-CB 3.21Å; I473-Y477 PolarHBondContact O-N 2.87Å; F474-Y477 PolarHBondContact O-N 3.24Å; Y477-M480 PolarHBondContact O-N 3.27Å; Y477-R481 WeakPolarHBondContact O-CB 3.42Å; Y477-R481 PolarHBondContact O-N 3Å
478W87.3Confident80.3Confident63 Ų6358.8 Ų58.824%0.23933%0.327CS..Hα-helixtrans-72.1-36.2-177.1-150.6-93.1000112.2F245 A249 F474 W476 R481 F482F245-W478 HydrophobicContact CE1-CE3 4.47Å; F245-W478 HydrophobicContact CE1-CH2 4.06Å; F245-W478 AromaticContact CE1-CZ3 3.95Å; F245-W478 HydrophobicContact CE1-CZ3 3.95Å; F245-W478 HydrophobicContact CZ-CH2 4.36Å; A249-W478 HydrophobicContact CB-CH2 4.44Å; A249-W478 HydrophobicContact CB-CZ3 4.08Å; F474-W478 HydrophobicContact CE2-CB 4.4Å; F474-W478 HydrophobicContact CE2-CD2 4.25Å; F474-W478 AromaticContact CE2-CE3 3.89Å; F474-W478 HydrophobicContact CE2-CE3 3.89Å; F474-W478 HydrophobicContact CE2-CG 4.47Å; F474-W478 WeakPolarHBondContact O-CB 3.26Å; F474-W478 PolarHBondContact O-N 3.43Å; W476-W478 VanDerWaalsContact C-N 3.31Å; W476-W478 PolarHBondContact O-N 2.93Å; W478-R481 PolarHBondContact O-N 3.24Å; W478-F482 AromaticContact CD1-CD2 3.41Å; W478-F482 VanDerWaalsContact CD1-CD2 3.41Å; W478-F482 AromaticContact CD1-CE2 2.97Å; W478-F482 AromaticContact CD1-CZ 3.57Å; W478-F482 HydrophobicContact CG-CD2 4.45Å; W478-F482 HydrophobicContact CG-CE2 4.24Å; W478-F482 AromaticContact NE1-CD2 3.8Å; W478-F482 AromaticContact NE1-CE1 3.87Å; W478-F482 AromaticContact NE1-CE2 3.01Å; W478-F482 AromaticContact NE1-CZ 3.03Å; W478-F482 WeakPolarHBondContact O-CD2 3.34Å; W478-F482 PolarHBondContact O-N 3.02Å
479S87Confident77.5Confident39 Ų3961.1 Ų61.127%0.27335%0.348SS..Hα-helixtrans-60.5-47171179.60000112L429 L475 W476 R481 F482 Q483L429-S479 WeakPolarHBondContact CD2-OG 3.32Å; L475-S479 VanDerWaalsContact O-CB 3.25Å; L475-S479 WeakPolarHBondContact O-CB 3.35Å; L475-S479 PolarHBondContact O-N 3.43Å; W476-S479 PolarHBondContact O-N 3.35Å; S479-R481 VanDerWaalsContact C-N 3.32Å; S479-R481 PolarHBondContact O-N 3.38Å; S479-F482 PolarHBondContact O-N 3Å; S479-Q483 WeakPolarHBondContact O-CG 3.4Å; S479-Q483 PolarHBondContact O-N 3.25Å; S479-Q483 PolarHBondContact OG-NE2 3.47Å
480M81.8Confident74.8Confident62 Ų6266.7 Ų66.731%0.30539%0.385SS..Hα-helixtrans-63-40.2177-69.2-66.8-72.200111.5T430 W476 Y477 Q483 A484T430-M480 HydrophobicContact CG2-CE 4.11Å; W476-M480 HydrophobicContact CD2-CG 4.46Å; W476-M480 HydrophobicContact CZ2-CG 4.37Å; W476-M480 WeakPolarHBondContact O-CG 3.27Å; W476-M480 PolarHBondContact O-N 3Å; Y477-M480 PolarHBondContact O-N 3.27Å; M480-Q483 PolarHBondContact O-N 2.87Å; M480-A484 PolarHBondContact O-N 2.8Å
481R81.6Confident72Confident74 Ų7474.9 Ų74.928%0.27943%0.428SS..Hα-helixtrans-64.1-41.8177.3-169.5-179.1-175.1-173.84.1112.2Y477 W478 S479 A484 Q485Y477-R481 WeakPolarHBondContact O-CB 3.42Å; Y477-R481 PolarHBondContact O-N 3Å; W478-R481 PolarHBondContact O-N 3.24Å; S479-R481 VanDerWaalsContact C-N 3.32Å; S479-R481 PolarHBondContact O-N 3.38Å; R481-A484 PolarHBondContact O-N 3.35Å; R481-Q485 WeakPolarHBondContact O-CG 3.46Å; R481-Q485 PolarHBondContact O-N 2.9Å
482F82.5Confident69.2Low120 Ų12080.5 Ų80.553%0.52645%0.452SS..Hα-helixtrans-67.4-39.2176-78.6-46.6000112.5W478 S479 A484 Q485 G486W478-F482 AromaticContact CD1-CD2 3.41Å; W478-F482 VanDerWaalsContact CD1-CD2 3.41Å; W478-F482 AromaticContact CD1-CE2 2.97Å; W478-F482 AromaticContact CD1-CZ 3.57Å; W478-F482 HydrophobicContact CG-CD2 4.45Å; W478-F482 HydrophobicContact CG-CE2 4.24Å; W478-F482 AromaticContact NE1-CD2 3.8Å; W478-F482 AromaticContact NE1-CE1 3.87Å; W478-F482 AromaticContact NE1-CE2 3.01Å; W478-F482 AromaticContact NE1-CZ 3.03Å; W478-F482 WeakPolarHBondContact O-CD2 3.34Å; W478-F482 PolarHBondContact O-N 3.02Å; S479-F482 PolarHBondContact O-N 3Å; F482-A484 VanDerWaalsContact C-N 3.3Å; F482-A484 PolarHBondContact O-N 2.9Å; F482-Q485 PolarHBondContact O-N 3.3Å; F482-Q485 VanDerWaalsContact O-N 3.14Å; F482-G486 PolarHBondContact O-N 2.69Å
483Q79.1Confident66.3Low77 Ų7783.9 Ų83.936%0.3647%0.471SS..Hα-helixtrans-61.7-38.7174.2-73.5-179.756.800112.1S479 M480 Q485 G486 G487S479-Q483 WeakPolarHBondContact O-CG 3.4Å; S479-Q483 PolarHBondContact O-N 3.25Å; S479-Q483 PolarHBondContact OG-NE2 3.47Å; M480-Q483 PolarHBondContact O-N 2.87Å; Q483-Q485 VanDerWaalsContact C-N 3.28Å; Q483-Q485 PolarHBondContact O-N 3.37Å; Q483-G486 PolarHBondContact O-N 3.37Å; Q483-G487 PolarHBondContact O-N 3.39Å
484A73Confident63.7Low85 Ų8592 Ų9270%0.70251%0.514SS*.Hα-helixtrans-66.5-28.2175.700000113.3M480 R481 F482M480-A484 PolarHBondContact O-N 2.8Å; R481-A484 PolarHBondContact O-N 3.35Å; F482-A484 VanDerWaalsContact C-N 3.3Å; F482-A484 PolarHBondContact O-N 2.9Å
485Q68.3Low61.2Low130 Ų13095.3 Ų95.361%0.60754%0.541SS*.Hα-helixtrans-84-26.3176.2-70.1179.11.900113.2R481 F482 Q483R481-Q485 WeakPolarHBondContact O-CG 3.46Å; R481-Q485 PolarHBondContact O-N 2.9Å; F482-Q485 PolarHBondContact O-N 3.3Å; F482-Q485 VanDerWaalsContact O-N 3.14Å; Q483-Q485 VanDerWaalsContact C-N 3.28Å; Q483-Q485 PolarHBondContact O-N 3.37Å
486G56.3Low58.9Low65 Ų6598.8 Ų98.867%0.6756%0.56SS**SBendtrans-87.20.1-179.800000115.7F482 Q483F482-G486 PolarHBondContact O-N 2.69Å; Q483-G486 PolarHBondContact O-N 3.37Å
487G42.6Very low56.6Low44 Ų44103.5 Ų103.545%0.45460%0.597SS.*SBendtrans-62.1138.7172.900000110.9Q483 S489Q483-G487 PolarHBondContact O-N 3.39Å; G487-S489 PolarHBondContact O-N 2.83Å
488P37.2Very low54.4Low127 Ų127106.7 Ų106.783%0.82563%0.631SS**  trans-59.5112.5-172.522.2-31.2000110.3P490P488-P490 VanDerWaalsContact O-CD 3.3Å; P488-P490 WeakPolarHBondContact O-CD 3.43Å
489S33.3Very low52.1Low92 Ų92113 Ų11364%0.64366%0.66SS**  trans-60.3116162.846.20000107.7G487 L491G487-S489 PolarHBondContact O-N 2.83Å; S489-L491 PolarHBondContact O-N 2.73Å
490P34.9Very low49.9Very low121 Ų121118.1 Ų118.179%0.78668%0.683SS**SBendtrans-77.280.5176.331.3-29000106.8P488P488-P490 VanDerWaalsContact O-CD 3.3Å; P488-P490 WeakPolarHBondContact O-CD 3.43Å
491L34Very low48Very low171 Ų171119.8 Ų119.890%0.89570%0.699SS**  trans168.477.2166.2-92.2145.5000109.4S489S489-L491 PolarHBondContact O-N 2.73Å
492K33.3Very low45.9Very low182 Ų182124.1 Ų124.179%0.79173%0.726SS**SBendtrans-153.899.4155-152.1171.6-178.4-178.70110.5
493N30.7Very low43.9Very low132 Ų132123.7 Ų123.771%0.70674%0.738SS**  trans59.286.9150.1-602000118.5
494N36.2Very low42Very low172 Ų172125.3 Ų125.392%0.9276%0.758SS**  trans-116.274.9136.1-95.3-3.2000107.5
495S38Very low40.3Very low104 Ų104125.1 Ų125.173%0.72776%0.764SS**  trans-109.180161.3-65.90000106
496D41.5Very low39Very low155 Ų155124 Ų12483%0.82977%0.77SS**  trans-167.8136.3156.8-92.9-30.7000108.9
497S42.3Very low38.3Very low124 Ų124127.3 Ų127.387%0.86778%0.778SS**  trans84.877.7170.2-49.60000118
498A42.3Very low38.2Very low102 Ų102130.5 Ų130.584%0.84379%0.793SS**  -162.4103.6126.600000110.4
499K39.1Very low38.3Very low195 Ų195129.8 Ų129.885%0.84879%0.791SS**  trans-61.5131.7170.9-90.7171.3168172.90111.6
500L39.5Very low38.8Very low146 Ų146130.2 Ų130.276%0.76479%0.794SS**  trans61.6158.4132-64.5167000120
501P43.1Very low39.3Very low98 Ų98135.6 Ų135.664%0.63680%0.799SS**  cis-141162.6-32.134.1-15.1000115.7
502I37.6Very low39.7Very low165 Ų165138.9 Ų138.985%0.84682%0.815SS**  trans53.4113.8136.1-56.6162.5000119.8
503S39.6Very low40Very low111 Ų111136.7 Ų136.778%0.77682%0.816SS**  trans164129134.8-179.50000106
504S38.4Very low40.5Very low111 Ų111136.9 Ų136.978%0.77682%0.822SS**  cis-166120.917.637.80000105.5
505G38.1Very low40.8Very low80 Ų80135 Ų13583%0.82582%0.816SS**  trans-112.6117.4173.800000109.3
506S40.6Very low40.9Very low107 Ų107136.8 Ų136.875%0.74882%0.821SS**  trans-51.9147169.746.50000112.3
507T42.2Very low40.9Very low135 Ų135135.7 Ų135.783%0.82882%0.821SS**  178.3134.8116.2280000112.2
508S40.1Very low40.8Very low111 Ų111136.5 Ų136.578%0.77682%0.818SS**  trans65.7100.5141.3166.20000118.5
509S40.6Very low40.7Very low112 Ų112138.9 Ų138.978%0.78382%0.816SS**  -175.7156.1110.4-136.90000112.5
510S42.8Very low40.8Very low101 Ų101134.6 Ų134.671%0.70681%0.814SS**  trans88.6105.5157.980.20000121
511R45.4Very low41Very low233 Ų233133.7 Ų133.788%0.87982%0.818SS**  72.2121.2123.6-72.8-176-160.3-177.26.1120.5
512I43.1Very low40.8Very low240 Ų240136.9 Ų136.9100%1.23183%0.834SS**  trans77.30156.4-56.2172000115

Retrieved 512 of 512 residues in 141.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).