A0A087XG66_POEFO Loading...

Dual specificity protein phosphatase

AlphaFold DB , UniProt , Accession A0A087XG66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 aa.

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

 

Download Structure   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
1H38.9Very low55Low210 Ų210103.2 Ų103.297%0.97251%0.507SS*.  0-55.80-102.9-71.5000113.6L3 H4H1-L3 PolarHBondContact O-N 3.42Å; H1-H4 PolarHBondContact O-N 3.17Å
2N36.4Very low58Low155 Ų15596.5 Ų96.583%0.82948%0.484SS*.Hα-helixtrans-68.8-29-176-70.2-16.9000115.7
3L45.7Very low60.8Low109 Ų10994.9 Ų94.957%0.57147%0.474SS*.Hα-helixtrans-73.3-29.5174.9-97.8114.9000114H1 R119H1-L3 PolarHBondContact O-N 3.42Å; L3-R119 HydrophobicContact CD2-CG 4.4Å
4H47.7Very low63.3Low85 Ų8588.8 Ų88.839%0.39444%0.444SS..Hα-helixtrans-72.2-32.9-178.6-91.422.6000112.4H1 N115H1-H4 PolarHBondContact O-N 3.17Å; H4-N115 PolarHBondContact CE1-ND2 2.85Å; H4-N115 VanDerWaalsContact CE1-ND2 3.29Å; H4-N115 PolarHBondContact ND1-OD1 2.79Å
5R47.3Very low65.5Low198 Ų19886.9 Ų86.975%0.74744%0.436SS*.Hα-helixtrans-72.2-34.4-177.1-145.3177.9-169.9-149.50.4112.4E9R5-E9 WeakPolarHBondContact O-CG 3.39Å
6G52.5Low67.4Low31 Ų3181.6 Ų81.632%0.3241%0.409SS..Hα-helixtrans-76.2-32.9178.400000114.5M8 E9G6-M8 PolarHBondContact O-N 2.75Å; G6-E9 PolarHBondContact O-N 3.38Å
7A58.4Low69.1Low6 Ų680.8 Ų80.85%0.0541%0.41CS..Hα-helixtrans-67-33.3-17700000113.7F118A7-F118 HydrophobicContact CB-CD2 3.55Å; A7-F118 HydrophobicContact CB-CE2 3.9Å; A7-F118 HydrophobicContact CB-CG 4.32Å; A7-F118 WeakPolarHBondContact O-CE2 3.49Å
8M59Low70.6Confident66 Ų6678.8 Ų78.833%0.32540%0.402SS..Hα-helixtrans-79.5-24.2178.1-68.4-77.7-84.800112.4G6 D10 L11 V104 L114G6-M8 PolarHBondContact O-N 2.75Å; M8-D10 VanDerWaalsContact C-N 3.31Å; M8-L11 PolarHBondContact O-N 3.49Å; M8-V104 HydrophobicContact CE-CB 3.8Å; M8-V104 HydrophobicContact CE-CG1 3.95Å; M8-V104 HydrophobicContact SD-CG1 4.39Å; M8-L114 HydrophobicContact SD-CD2 3.88Å
9E61Low71.8Confident149 Ų14974.6 Ų74.670%0.69638%0.381SS*.Hα-helixtrans-71.6-25.5177.8-73.4175.6174.800112.5R5 G6R5-E9 WeakPolarHBondContact O-CG 3.39Å; G6-E9 PolarHBondContact O-N 3.38Å
10D73.4Confident72.9Confident113 Ų11373.4 Ų73.460%0.60437%0.373SS*.THydrogen-bonded Turntrans-97.33.3179.3-72.5-29.2000113.7M8 G12 F118M8-D10 VanDerWaalsContact C-N 3.31Å; D10-G12 PolarHBondContact O-N 3.03Å; D10-F118 HydrophobicContact CB-CE1 3.72Å; D10-F118 HydrophobicContact CB-CZ 3.48Å; D10-F118 VanDerWaalsContact CB-CZ 3.48Å
11L85Confident73.9Confident13 Ų1377 Ų777%0.06838%0.382CS..  trans-80.5110.2177179.864000110.3M8 L114 V126 L128M8-L11 PolarHBondContact O-N 3.49Å; L11-L114 HydrophobicContact CB-CD2 4.2Å; L11-L114 HydrophobicContact CD1-CD1 3.88Å; L11-L114 HydrophobicContact CD1-CD2 4.42Å; L11-L114 HydrophobicContact CD2-CD2 4.04Å; L11-L114 HydrophobicContact CG-CD2 4.46Å; L11-V126 HydrophobicContact CD1-CG1 4.08Å; L11-L128 HydrophobicContact CD1-CB 4.26Å; L11-L128 HydrophobicContact CD2-CB 4.19Å; L11-L128 HydrophobicContact CG-CB 4.34Å
12G90.3Very high76.3Confident23 Ų2369.9 Ų69.924%0.23735%0.351CS..EExtended strand (participates in β ladder)trans-76.2166.3172.200000112.8D10 V126 Y127 L128D10-G12 PolarHBondContact O-N 3.03Å; G12-V126 PolarHBondContact N-O 2.85Å; G12-Y127 CarbonylContact O-C 3.54Å; G12-Y127 WeakPolarHBondContact O-CA 3.48Å; G12-L128 PolarHBondContact O-N 3.36Å
13E94.9Very high78.9Confident76 Ų7664.7 Ų64.736%0.35532%0.322SS..EExtended strand (participates in β ladder)trans-110.1146.2170.7-61.9-170.5151.400111.5D100 S101 Y127 K130E13-D100 VanDerWaalsContact OE1-CA 3.32Å; E13-D100 WeakPolarHBondContact OE1-CA 3.48Å; E13-D100 WeakPolarHBondContact OE1-CB 3.37Å; E13-S101 PolarHBondContact OE1-N 3.01Å; E13-S101 PolarHBondContact OE1-OG 2.96Å; E13-Y127 WeakPolarHBondContact O-CD1 3.46Å; E13-K130 HydrophobicContact CB-CD 4.11Å; E13-K130 HydrophobicContact CB-CG 4.12Å; E13-K130 WeakPolarHBondContact OE2-CD 3.43Å
14M95.4Very high80.8Confident9 Ų965.7 Ų65.74%0.04432%0.322CS..EExtended strand (participates in β ladder)trans-131.1130178.5-166.8179.5-4000112V18 L19 L22 V90 V92 Y127 L128 K130M14-V18 HydrophobicContact CG-CB 3.78Å; M14-V18 HydrophobicContact CG-CG1 3.91Å; M14-V18 HydrophobicContact SD-CB 4.25Å; M14-V18 HydrophobicContact SD-CG1 3.99Å; M14-L19 HydrophobicContact SD-CB 3.9Å; M14-L22 HydrophobicContact CE-CD1 4.24Å; M14-L22 HydrophobicContact SD-CD1 3.85Å; M14-V90 HydrophobicContact CE-CG1 4.11Å; M14-V92 HydrophobicContact CE-CB 4.23Å; M14-V92 HydrophobicContact CE-CG1 4.02Å; M14-V92 HydrophobicContact CE-CG2 3.24Å; M14-V92 HydrophobicContact SD-CG1 4.36Å; M14-V92 HydrophobicContact SD-CG2 4.01Å; M14-Y127 HydrophobicContact CB-CD1 4.34Å; M14-Y127 HydrophobicContact CB-CG 4.4Å; M14-Y127 VanDerWaalsContact CE-CB 3.48Å; M14-Y127 HydrophobicContact CE-CD1 4.26Å; M14-Y127 HydrophobicContact CE-CD2 3.75Å; M14-Y127 HydrophobicContact CE-CG 3.57Å; M14-L128 PolarHBondContact N-O 3.28Å; M14-K130 PolarHBondContact O-N 3.47Å
15D97.1Very high82.4Confident61 Ų6167.6 Ų67.633%0.32634%0.335SS..  trans-73.6148.7170.7-76.7-67.6000112.4T17 V18 L19 K130D15-T17 PolarHBondContact O-N 2.74Å; D15-V18 HydrophobicContact CB-CG2 4.17Å; D15-V18 WeakPolarHBondContact O-CB 3.3Å; D15-V18 PolarHBondContact O-N 3.1Å; D15-L19 PolarHBondContact O-N 3.42Å; D15-K130 WeakPolarHBondContact OD1-CE 3.42Å; D15-K130 IonicContact OD1-NZ 2.79Å; D15-K130 PolarHBondContact OD1-NZ 3.15Å; D15-K130 WeakPolarHBondContact OD2-CE 3.42Å; D15-K130 IonicContact OD2-NZ 3.93Å; D15-K130 PolarHBondContact OD2-NZ 3.48Å
16C96Very high83Confident2 Ų265.3 Ų65.31%0.01434%0.338CS..Hα-helixtrans-56.1-35.4177.7-66.40000112.5V18 L19 K20 F136 Y140C16-V18 VanDerWaalsContact C-N 3.3Å; C16-V18 PolarHBondContact O-N 2.8Å; C16-L19 PolarHBondContact O-N 2.96Å; C16-K20 WeakPolarHBondContact O-CB 3.37Å; C16-K20 PolarHBondContact O-N 3.22Å; C16-F136 HydrophobicContact CB-CD2 3.75Å; C16-F136 HydrophobicContact CB-CE2 4.37Å; C16-Y140 HydrophobicContact CB-CD2 4.16Å; C16-Y140 HydrophobicContact CB-CE2 3.68Å
17T96.3Very high83.5Confident67 Ų6766.4 Ų66.441%0.41135%0.349SS..Hα-helixtrans-63.8-31.917654.10000113.4D15 R21 Y140D15-T17 PolarHBondContact O-N 2.74Å; T17-R21 PolarHBondContact O-N 3.4Å; T17-Y140 WeakPolarHBondContact CG2-OH 3.1Å
18V94.9Very high84.3Confident45 Ų4567.7 Ų67.727%0.27336%0.363SS..Hα-helixtrans-75.6-48.9178.6-178.90000109.3M14 D15 C16 K20 R21 L22M14-V18 HydrophobicContact CG-CB 3.78Å; M14-V18 HydrophobicContact CG-CG1 3.91Å; M14-V18 HydrophobicContact SD-CB 4.25Å; M14-V18 HydrophobicContact SD-CG1 3.99Å; D15-V18 HydrophobicContact CB-CG2 4.17Å; D15-V18 WeakPolarHBondContact O-CB 3.3Å; D15-V18 PolarHBondContact O-N 3.1Å; C16-V18 VanDerWaalsContact C-N 3.3Å; C16-V18 PolarHBondContact O-N 2.8Å; V18-K20 VanDerWaalsContact C-N 3.28Å; V18-K20 PolarHBondContact O-N 2.72Å; V18-R21 WeakPolarHBondContact O-CB 3.37Å; V18-R21 PolarHBondContact O-N 3.03Å; V18-L22 HydrophobicContact CG1-CD1 4.48Å; V18-L22 PolarHBondContact O-N 2.84Å
19L94.6Very high85.5Confident0 Ų072.4 Ų72.40%038%0.377CS..Hα-helixtrans-57.9-42.7176.6177.959000111.3M14 D15 C16 R21 L22 L23 V32 I46 V92 L129 F136M14-L19 HydrophobicContact SD-CB 3.9Å; D15-L19 PolarHBondContact O-N 3.42Å; C16-L19 PolarHBondContact O-N 2.96Å; L19-R21 VanDerWaalsContact C-N 3.27Å; L19-R21 PolarHBondContact O-N 3.24Å; L19-L22 PolarHBondContact O-N 3.44Å; L19-L22 VanDerWaalsContact O-N 3.14Å; L19-L23 HydrophobicContact CD1-CD1 4.4Å; L19-L23 HydrophobicContact CD1-CD2 4.44Å; L19-L23 HydrophobicContact CD1-CG 4.09Å; L19-L23 HydrophobicContact CG-CD1 4.11Å; L19-L23 HydrophobicContact CG-CG 4.28Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.9Å; L19-V32 HydrophobicContact CD1-CG2 3.92Å; L19-I46 HydrophobicContact CD2-CD1 3.95Å; L19-V92 HydrophobicContact CD1-CB 4.47Å; L19-V92 HydrophobicContact CD1-CG1 4.43Å; L19-V92 HydrophobicContact CD1-CG2 4.17Å; L19-V92 HydrophobicContact CD2-CG1 4.36Å; L19-L129 HydrophobicContact CB-CD1 4.04Å; L19-L129 HydrophobicContact CD2-CD1 3.72Å; L19-L129 HydrophobicContact CD2-CD2 3.65Å; L19-L129 HydrophobicContact CD2-CG 4.26Å; L19-F136 HydrophobicContact CB-CE2 3.98Å; L19-F136 HydrophobicContact CD2-CD2 4Å; L19-F136 HydrophobicContact CD2-CE2 3.72Å; L19-F136 HydrophobicContact CD2-CZ 4.27Å; L19-F136 HydrophobicContact CG-CE2 3.86Å; L19-F136 HydrophobicContact CG-CZ 4.34Å
20K94.1Very high87Confident50 Ų5067 Ų6722%0.21736%0.356CS..Hα-helixtrans-53-43.8174.3-178.2-167-170.7159.90112.7C16 V18 L23 K24 Y140 E142 F143C16-K20 WeakPolarHBondContact O-CB 3.37Å; C16-K20 PolarHBondContact O-N 3.22Å; V18-K20 VanDerWaalsContact C-N 3.28Å; V18-K20 PolarHBondContact O-N 2.72Å; K20-L23 PolarHBondContact O-N 3.4Å; K20-K24 PolarHBondContact O-N 3.37Å; K20-Y140 HydrophobicContact CB-CD2 4.44Å; K20-Y140 HydrophobicContact CD-CD1 3.63Å; K20-Y140 HydrophobicContact CD-CE1 3.56Å; K20-Y140 HydrophobicContact CD-CG 4.18Å; K20-Y140 HydrophobicContact CG-CD1 4.39Å; K20-Y140 HydrophobicContact CG-CG 4.5Å; K20-Y140 VanDerWaalsContact NZ-CE1 3.3Å; K20-E142 IonicContact NZ-OE1 2.68Å; K20-F143 HydrophobicContact CD-CE2 4.48Å; K20-F143 HydrophobicContact CG-CD2 4.29Å; K20-F143 HydrophobicContact CG-CE2 3.97Å; K20-F143 HydrophobicContact CG-CZ 4.15Å
21R92.4Very high87.9Confident149 Ų14962 Ų6256%0.56233%0.329SS*.Hα-helixtrans-66.8-44.4178.6-73.6-176.3-73.3147-6.5111T17 V18 L19 L23 K24 D25T17-R21 PolarHBondContact O-N 3.4Å; V18-R21 WeakPolarHBondContact O-CB 3.37Å; V18-R21 PolarHBondContact O-N 3.03Å; L19-R21 VanDerWaalsContact C-N 3.27Å; L19-R21 PolarHBondContact O-N 3.24Å; R21-L23 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 2.93Å; R21-K24 WeakPolarHBondContact O-CB 3.45Å; R21-K24 PolarHBondContact O-N 3.41Å; R21-D25 PolarHBondContact O-N 2.84Å; R21-D25 VanDerWaalsContact O-N 3.09Å
22L90.4Very high88.4Confident61 Ų6161.6 Ų61.632%0.31933%0.327SS..Hα-helixtrans-59.7-38.3176.3-65.7176.5000112.7M14 V18 L19 K24 D25M14-L22 HydrophobicContact CE-CD1 4.24Å; M14-L22 HydrophobicContact SD-CD1 3.85Å; V18-L22 HydrophobicContact CG1-CD1 4.48Å; V18-L22 PolarHBondContact O-N 2.84Å; L19-L22 PolarHBondContact O-N 3.44Å; L19-L22 VanDerWaalsContact O-N 3.14Å; L22-K24 VanDerWaalsContact C-N 3.27Å; L22-K24 PolarHBondContact O-N 3.5Å; L22-D25 PolarHBondContact O-N 2.63Å
23L89.6Confident88.6Confident45 Ų4560.5 Ų60.524%0.23632%0.316CS..Hα-helixtrans-68.7-24.3176.4-68.9174.8000113.3L19 K20 R21 V32 I46 F136 F143L19-L23 HydrophobicContact CD1-CD1 4.4Å; L19-L23 HydrophobicContact CD1-CD2 4.44Å; L19-L23 HydrophobicContact CD1-CG 4.09Å; L19-L23 HydrophobicContact CG-CD1 4.11Å; L19-L23 HydrophobicContact CG-CG 4.28Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.9Å; K20-L23 PolarHBondContact O-N 3.4Å; R21-L23 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 2.93Å; L23-V32 HydrophobicContact CD2-CG2 4.1Å; L23-I46 HydrophobicContact CD1-CG2 3.65Å; L23-F136 HydrophobicContact CD1-CE1 4.45Å; L23-F136 HydrophobicContact CD1-CZ 3.83Å; L23-F143 HydrophobicContact CB-CD1 4.01Å; L23-F143 HydrophobicContact CB-CE1 4.2Å; L23-F143 HydrophobicContact CD1-CB 4.39Å; L23-F143 HydrophobicContact CD1-CD1 4.03Å
24K87.3Confident88.6Confident130 Ų13056.9 Ų56.957%0.56530%0.299SS*.Hα-helixtrans-82.2-34175.8-75.9-175173.1-168.30112.8K20 R21 L22 D26 F143K20-K24 PolarHBondContact O-N 3.37Å; R21-K24 WeakPolarHBondContact O-CB 3.45Å; R21-K24 PolarHBondContact O-N 3.41Å; L22-K24 VanDerWaalsContact C-N 3.27Å; L22-K24 PolarHBondContact O-N 3.5Å; K24-D26 PolarHBondContact O-N 3.22Å; K24-D26 VanDerWaalsContact O-N 3.17Å; K24-F143 HydrophobicContact CD-CZ 4.25Å; K24-F143 VanDerWaalsContact CE-CZ 3.5Å; K24-F143 HydrophobicContact CG-CE1 3.87Å; K24-F143 HydrophobicContact CG-CZ 3.77Å
25D80Confident88.5Confident126 Ų12656.7 Ų56.767%0.67430%0.298SS*.SBendtrans-773.4-171-76.1-12.6000114R21 L22 G27R21-D25 PolarHBondContact O-N 2.84Å; R21-D25 VanDerWaalsContact O-N 3.09Å; L22-D25 PolarHBondContact O-N 2.63Å; D25-G27 PolarHBondContact O-N 2.98Å
26D61.2Low88.3Confident150 Ų15054.8 Ų54.880%0.80229%0.286SS*.  trans36.830.1173.4-155.222.9000116.1K24 G28K24-D26 PolarHBondContact O-N 3.22Å; K24-D26 VanDerWaalsContact O-N 3.17Å; D26-G28 PolarHBondContact O-N 2.59Å; D26-G28 VanDerWaalsContact O-N 3.1Å
27G62.6Low87.9Confident53 Ų5357.6 Ų57.655%0.54631%0.306SS..  trans-77.3-0.1-169.300000113.6D25 R29D25-G27 PolarHBondContact O-N 2.98Å; G27-R29 WeakPolarHBondContact O-CG 3.43Å; G27-R29 PolarHBondContact O-N 2.86Å
28G73.8Confident87.4Confident34 Ų3455.9 Ų55.935%0.35129%0.293SS..SBendtrans59.1-1.6-177.900000116D26 R82 Y88D26-G28 PolarHBondContact O-N 2.59Å; D26-G28 VanDerWaalsContact O-N 3.1Å; G28-R82 PolarHBondContact O-NH2 2.66Å; G28-Y88 WeakPolarHBondContact O-CE1 3.47Å
29R86.3Confident87Confident164 Ų16454.5 Ų54.562%0.61928%0.284SS*.  trans-96.6-2.7-175.4-67.7-171.2-60.7170.23.4113.9G27 Y88 S89 V90G27-R29 WeakPolarHBondContact O-CG 3.43Å; G27-R29 PolarHBondContact O-N 2.86Å; R29-Y88 CarbonylContact O-C 3.5Å; R29-Y88 WeakPolarHBondContact O-CA 3.17Å; R29-S89 PolarHBondContact O-N 2.7Å; R29-S89 PolarHBondContact O-OG 3.26Å; R29-V90 PolarHBondContact O-N 3.25Å
30C90.9Very high86.7Confident37 Ų3755.5 Ų55.525%0.2529%0.293CS..EExtended strand (participates in β ladder)trans-107.6123.4174.8-175.40000109.3V90C30-V90 WeakPolarHBondContact CA-O 3.41Å
31L92.9Very high86.5Confident7 Ų754.7 Ų54.74%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-104.8132.8170.4177.163.9000109.2L33 V50 V79 L83 Y88 V90 V91 V92L31-L33 HydrophobicContact CD1-CD2 4.19Å; L31-L33 HydrophobicContact CD2-CD1 4.38Å; L31-L33 HydrophobicContact CD2-CD2 3.82Å; L31-L33 HydrophobicContact CD2-CG 4.11Å; L31-L33 HydrophobicContact CG-CD2 3.89Å; L31-L33 HydrophobicContact CG-CG 4.12Å; L31-V50 HydrophobicContact CD1-CG2 4.15Å; L31-V79 HydrophobicContact CD1-CG1 3.81Å; L31-V79 HydrophobicContact CD2-CG1 3.7Å; L31-V79 HydrophobicContact CG-CG1 4.43Å; L31-L83 HydrophobicContact CD2-CD1 3.66Å; L31-L83 HydrophobicContact CD2-CD2 3.9Å; L31-L83 HydrophobicContact CD2-CG 3.84Å; L31-Y88 HydrophobicContact CB-CD1 3.69Å; L31-Y88 HydrophobicContact CB-CD2 4.12Å; L31-Y88 HydrophobicContact CB-CE1 3.84Å; L31-Y88 HydrophobicContact CB-CE2 4.23Å; L31-Y88 HydrophobicContact CB-CG 3.83Å; L31-Y88 HydrophobicContact CD1-CE1 4.48Å; L31-Y88 HydrophobicContact CD1-CE2 4.48Å; L31-Y88 HydrophobicContact CD2-CD2 4.12Å; L31-Y88 HydrophobicContact CD2-CE2 4.01Å; L31-Y88 HydrophobicContact CG-CE2 4.48Å; L31-V90 PolarHBondContact N-O 2.8Å; L31-V91 HydrophobicContact CB-CG2 4.16Å; L31-V91 HydrophobicContact CD2-CG2 4.32Å; L31-V91 CarbonylContact O-C 3.54Å; L31-V91 WeakPolarHBondContact O-CA 3.26Å; L31-V92 PolarHBondContact O-N 3.18Å
32V95.1Very high86.2Confident4 Ų448.2 Ų48.22%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-109.7123.3174.4-167.50000108.7L19 L23 S49 V50 V92 Y94L19-V32 HydrophobicContact CD1-CG2 3.92Å; L23-V32 HydrophobicContact CD2-CG2 4.1Å; V32-S49 CarbonylContact O-C 3.55Å; V32-S49 WeakPolarHBondContact O-CA 3.44Å; V32-S49 WeakPolarHBondContact O-CB 3.49Å; V32-V50 PolarHBondContact O-N 3.38Å; V32-V92 CarbonylContact C-O 3.57Å; V32-V92 WeakPolarHBondContact CA-O 3.47Å; V32-V92 HydrophobicContact CG1-CB 4.45Å; V32-Y94 HydrophobicContact CG1-CD1 3.68Å; V32-Y94 HydrophobicContact CG1-CE1 3.53Å
33L95.1Very high85.9Confident1 Ų147.6 Ų47.61%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-111121.7179.2-62.8-177.6000110.6L31 V50 L73 V91 V92 L93 Y94 V113 L117L31-L33 HydrophobicContact CD1-CD2 4.19Å; L31-L33 HydrophobicContact CD2-CD1 4.38Å; L31-L33 HydrophobicContact CD2-CD2 3.82Å; L31-L33 HydrophobicContact CD2-CG 4.11Å; L31-L33 HydrophobicContact CG-CD2 3.89Å; L31-L33 HydrophobicContact CG-CG 4.12Å; L33-V50 CarbonylContact C-O 3.57Å; L33-V50 WeakPolarHBondContact CA-O 3.34Å; L33-V50 HydrophobicContact CD2-CB 3.99Å; L33-L73 HydrophobicContact CD2-CD2 3.91Å; L33-V91 HydrophobicContact CD1-CG1 3.86Å; L33-V91 HydrophobicContact CG-CG1 4.16Å; L33-V92 PolarHBondContact N-O 3.15Å; L33-L93 HydrophobicContact CB-CD2 3.75Å; L33-L93 HydrophobicContact CD1-CD2 3.77Å; L33-L93 HydrophobicContact CG-CD2 4.21Å; L33-Y94 WeakPolarHBondContact O-CD1 3.27Å; L33-Y94 PolarHBondContact O-N 3.32Å; L33-Y94 VanDerWaalsContact O-N 3.1Å; L33-V113 HydrophobicContact CD1-CG1 3.93Å; L33-L117 HydrophobicContact CD1-CD1 4.12Å; L33-L117 HydrophobicContact CD1-CD2 4.48Å
34D95.1Very high85.9Confident0 Ų045.6 Ų45.60%026%0.261CS..EExtended strand (participates in β ladder)trans-86.4109.2174.2-167.7-39.8000109.5R36 F41 V50 N51 A52 Y94D34-R36 VanDerWaalsContact C-N 3.3Å; D34-R36 WeakPolarHBondContact OD1-CA 3.43Å; D34-R36 WeakPolarHBondContact OD1-CB 3.34Å; D34-R36 VanDerWaalsContact OD1-CG 3.25Å; D34-R36 WeakPolarHBondContact OD1-CG 3.37Å; D34-R36 PolarHBondContact OD1-N 3.42Å; D34-R36 IonicContact OD1-NE 2.62Å; D34-R36 PolarHBondContact OD1-NE 3.45Å; D34-R36 VanDerWaalsContact OD1-NE 3.1Å; D34-R36 IonicContact OD2-CZ 3.24Å; D34-R36 IonicContact OD2-NE 3.28Å; D34-R36 PolarHBondContact OD2-NE 3.02Å; D34-R36 VanDerWaalsContact OD2-NE 3.16Å; D34-R36 IonicContact OD2-NH2 3.97Å; D34-R36 PolarHBondContact OD2-NH2 3.4Å; D34-F41 HydrophobicContact CB-CD2 3.63Å; D34-F41 HydrophobicContact CB-CE2 4.16Å; D34-F41 WeakPolarHBondContact OD2-CD2 3.44Å; D34-V50 PolarHBondContact N-O 2.56Å; D34-N51 PolarHBondContact O-ND2 3.38Å; D34-N51 VanDerWaalsContact O-ND2 3.1Å; D34-A52 PolarHBondContact O-N 3.16Å; D34-Y94 HydrophobicContact CB-CE1 3.92Å; D34-Y94 HydrophobicContact CB-CE2 3.93Å; D34-Y94 VanDerWaalsContact CB-CZ 3.46Å; D34-Y94 VanDerWaalsContact CB-OH 3.27Å; D34-Y94 WeakPolarHBondContact CB-OH 3.44Å; D34-Y94 WeakPolarHBondContact OD2-CE2 3.14Å; D34-Y94 PolarHBondContact OD2-OH 3.3Å
35C93.7Very high86.3Confident5 Ų541 Ų413%0.03424%0.241CC..  trans-86.87.7179.6-65.10000113.6Y94 D95 T109 V110C35-Y94 WeakPolarHBondContact CA-O 3.45Å; C35-Y94 VanDerWaalsContact CB-O 3.28Å; C35-Y94 WeakPolarHBondContact CB-O 3.43Å; C35-Y94 PolarHBondContact N-O 3.3Å; C35-D95 HydrophobicContact CB-CB 4.43Å; C35-T109 HydrophobicContact CB-CG2 3.85Å; C35-T109 WeakPolarHBondContact O-CB 3.49Å; C35-T109 VanDerWaalsContact O-CG2 3.23Å; C35-T109 WeakPolarHBondContact O-CG2 3.38Å; C35-V110 HydrophobicContact CB-CG2 3.78Å
36R92.6Very high87Confident20 Ų2035 Ų358%0.07521%0.209CC..SBendtrans-81.4173.1175.4-53.8177.5-64.3159.5-1.1111.1D34 A40 G44 N51 E96D34-R36 VanDerWaalsContact C-N 3.3Å; D34-R36 WeakPolarHBondContact OD1-CA 3.43Å; D34-R36 WeakPolarHBondContact OD1-CB 3.34Å; D34-R36 VanDerWaalsContact OD1-CG 3.25Å; D34-R36 WeakPolarHBondContact OD1-CG 3.37Å; D34-R36 PolarHBondContact OD1-N 3.42Å; D34-R36 IonicContact OD1-NE 2.62Å; D34-R36 PolarHBondContact OD1-NE 3.45Å; D34-R36 VanDerWaalsContact OD1-NE 3.1Å; D34-R36 IonicContact OD2-CZ 3.24Å; D34-R36 IonicContact OD2-NE 3.28Å; D34-R36 PolarHBondContact OD2-NE 3.02Å; D34-R36 VanDerWaalsContact OD2-NE 3.16Å; D34-R36 IonicContact OD2-NH2 3.97Å; D34-R36 PolarHBondContact OD2-NH2 3.4Å; R36-A40 HydrophobicContact CB-CB 3.89Å; R36-G44 PolarHBondContact NH2-O 2.81Å; R36-N51 PolarHBondContact O-ND2 2.94Å; R36-E96 VanDerWaalsContact CD-CD 3.44Å; R36-E96 VanDerWaalsContact CD-OE1 3.23Å; R36-E96 WeakPolarHBondContact CD-OE1 3.49Å; R36-E96 WeakPolarHBondContact CD-OE2 3.36Å; R36-E96 HydrophobicContact CG-CB 4.4Å; R36-E96 IonicContact CZ-OE1 2.81Å; R36-E96 IonicContact NE-OE1 3.8Å; R36-E96 IonicContact NH1-OE1 3.37Å; R36-E96 PolarHBondContact NH1-OE1 3.34Å; R36-E96 IonicContact NH1-OE2 2.81Å
37S87.3Confident88.5Confident62 Ų6235.8 Ų35.843%0.43420%0.201SC..  trans-61.2150.8175.272.80000110.9L39 A40 F41S37-L39 PolarHBondContact O-N 3.44Å; S37-L39 VanDerWaalsContact O-N 3.09Å; S37-A40 WeakPolarHBondContact O-CB 3.21Å; S37-A40 PolarHBondContact O-N 3.17Å; S37-A40 PolarHBondContact OG-N 3.44Å; S37-F41 PolarHBondContact O-N 3.03Å
38F86.4Confident89.7Confident30 Ų3036.2 Ų36.213%0.13221%0.205CC..Hα-helixtrans-52.1-35.7176.1172.8-93.5000112.4S42 L179 K278F38-S42 WeakPolarHBondContact CE1-OG 3.42Å; F38-S42 WeakPolarHBondContact CE2-OG 3.48Å; F38-S42 WeakPolarHBondContact CZ-OG 3.26Å; F38-S42 VanDerWaalsContact O-CB 3.29Å; F38-S42 WeakPolarHBondContact O-CB 3.04Å; F38-S42 PolarHBondContact O-N 3.48Å; F38-S42 PolarHBondContact O-OG 3.06Å; F38-L179 HydrophobicContact CE1-CD2 3.85Å; F38-L179 HydrophobicContact CZ-CD2 3.87Å; F38-K278 HydrophobicContact CD1-CB 3.55Å; F38-K278 HydrophobicContact CD1-CD 3.87Å; F38-K278 HydrophobicContact CD1-CG 3.68Å; F38-K278 HydrophobicContact CD2-CD 4.07Å; F38-K278 HydrophobicContact CE1-CB 3.8Å; F38-K278 HydrophobicContact CE1-CD 3.41Å; F38-K278 VanDerWaalsContact CE1-CD 3.41Å; F38-K278 HydrophobicContact CE1-CG 3.34Å; F38-K278 HydrophobicContact CE2-CD 3.63Å; F38-K278 HydrophobicContact CE2-CG 4.47Å; F38-K278 HydrophobicContact CG-CB 4.1Å; F38-K278 HydrophobicContact CG-CD 4.19Å; F38-K278 HydrophobicContact CG-CG 4.39Å; F38-K278 HydrophobicContact CZ-CD 3.29Å; F38-K278 HydrophobicContact CZ-CG 3.8Å
39L85.1Confident90.7Very high17 Ų1735 Ų359%0.08919%0.191CC..Hα-helixtrans-70.6-38.1179.9-58.1175.9000112.2S37 S42 A43 V280 E284 F288S37-L39 PolarHBondContact O-N 3.44Å; S37-L39 VanDerWaalsContact O-N 3.09Å; L39-S42 PolarHBondContact O-N 2.9Å; L39-A43 WeakPolarHBondContact O-CB 3.28Å; L39-A43 PolarHBondContact O-N 3.33Å; L39-V280 HydrophobicContact CD1-CB 4.38Å; L39-V280 HydrophobicContact CD1-CG1 4.1Å; L39-V280 HydrophobicContact CD2-CG1 4.25Å; L39-V280 HydrophobicContact CG-CG1 3.95Å; L39-E284 HydrophobicContact CD1-CB 3.73Å; L39-E284 WeakPolarHBondContact CD1-O 3.48Å; L39-F288 HydrophobicContact CB-CD2 3.7Å; L39-F288 HydrophobicContact CB-CE2 4.12Å; L39-F288 HydrophobicContact CB-CG 4.43Å; L39-F288 HydrophobicContact CD1-CB 4.02Å; L39-F288 HydrophobicContact CD2-CB 3.92Å; L39-F288 HydrophobicContact CD2-CD1 3.99Å; L39-F288 HydrophobicContact CD2-CD2 3.59Å; L39-F288 HydrophobicContact CD2-CE1 4.34Å; L39-F288 HydrophobicContact CD2-CE2 3.95Å; L39-F288 HydrophobicContact CD2-CG 3.58Å; L39-F288 HydrophobicContact CD2-CZ 4.31Å; L39-F288 HydrophobicContact CG-CB 4.4Å; L39-F288 HydrophobicContact CG-CD2 4.09Å; L39-F288 HydrophobicContact CG-CG 4.35Å
40A88.2Confident91Very high21 Ų2128.2 Ų28.217%0.17417%0.168CC..Hα-helixtrans-65.5-48.1173.400000110.6R36 S37 S42 A43 G44R36-A40 HydrophobicContact CB-CB 3.89Å; S37-A40 WeakPolarHBondContact O-CB 3.21Å; S37-A40 PolarHBondContact O-N 3.17Å; S37-A40 PolarHBondContact OG-N 3.44Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 3.14Å; A40-A43 WeakPolarHBondContact O-CB 3.38Å; A40-A43 PolarHBondContact O-N 3.09Å; A40-A43 VanDerWaalsContact O-N 3.08Å; A40-G44 PolarHBondContact O-N 3.43Å; A40-G44 VanDerWaalsContact O-N 3.12Å; A40-G44 VanDerWaalsContact O-O 3.08Å
41F90.3Very high91Very high32 Ų3227 Ų2714%0.1416%0.159CC..Hα-helixtrans-55.4-44.3174176.1-93.8000112.3D34 S37 A43 G44 H45 N51D34-F41 HydrophobicContact CB-CD2 3.63Å; D34-F41 HydrophobicContact CB-CE2 4.16Å; D34-F41 WeakPolarHBondContact OD2-CD2 3.44Å; S37-F41 PolarHBondContact O-N 3.03Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 3.27Å; F41-G44 CarbonylContact O-C 3.55Å; F41-G44 VanDerWaalsContact O-C 3.31Å; F41-G44 PolarHBondContact O-N 3.34Å; F41-H45 HydrophobicContact CD2-CB 3.38Å; F41-H45 AromaticContact CD2-CG 3.59Å; F41-H45 AromaticContact CD2-ND1 3.99Å; F41-H45 AromaticContact CE1-CE1 3.98Å; F41-H45 AromaticContact CE1-ND1 3.97Å; F41-H45 HydrophobicContact CE2-CB 3.58Å; F41-H45 AromaticContact CE2-CD2 3.45Å; F41-H45 VanDerWaalsContact CE2-CD2 3.45Å; F41-H45 WeakPolarHBondContact CE2-CD2 3.44Å; F41-H45 AromaticContact CE2-CG 3.35Å; F41-H45 AromaticContact CE2-ND1 3.85Å; F41-H45 HydrophobicContact CG-CB 4.13Å; F41-H45 HydrophobicContact CZ-CB 4.42Å; F41-H45 AromaticContact CZ-CD2 3.63Å; F41-H45 AromaticContact CZ-CE1 3.81Å; F41-H45 AromaticContact CZ-CG 3.73Å; F41-H45 AromaticContact CZ-ND1 3.82Å; F41-H45 AromaticContact CZ-NE2 3.71Å; F41-H45 PolarHBondContact O-ND1 2.93Å; F41-N51 HydrophobicContact CB-CB 4.12Å; F41-N51 HydrophobicContact CD1-CB 3.82Å; F41-N51 HydrophobicContact CD2-CB 3.72Å; F41-N51 HydrophobicContact CE1-CB 4.12Å; F41-N51 HydrophobicContact CE2-CB 4.01Å; F41-N51 HydrophobicContact CG-CB 3.62Å; F41-N51 HydrophobicContact CZ-CB 4.21Å
42S86.8Confident90.8Very high13 Ų1326.7 Ų26.79%0.09116%0.158CC..Hα-helixtrans-71.1-22.6179.2-58.90000113.7F38 L39 A40F38-S42 WeakPolarHBondContact CE1-OG 3.42Å; F38-S42 WeakPolarHBondContact CE2-OG 3.48Å; F38-S42 WeakPolarHBondContact CZ-OG 3.26Å; F38-S42 VanDerWaalsContact O-CB 3.29Å; F38-S42 WeakPolarHBondContact O-CB 3.04Å; F38-S42 PolarHBondContact O-N 3.48Å; F38-S42 PolarHBondContact O-OG 3.06Å; L39-S42 PolarHBondContact O-N 2.9Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 3.14Å
43A84.3Confident89.9Confident49 Ų4931.1 Ų31.141%0.40517%0.174SC..Hα-helixtrans-76-33.9172.400000111.4L39 A40 F41 N147L39-A43 WeakPolarHBondContact O-CB 3.28Å; L39-A43 PolarHBondContact O-N 3.33Å; A40-A43 WeakPolarHBondContact O-CB 3.38Å; A40-A43 PolarHBondContact O-N 3.09Å; A40-A43 VanDerWaalsContact O-N 3.08Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 3.27Å; A43-N147 PolarHBondContact O-N 3.22Å
44G89.2Confident88.9Confident3 Ų331.3 Ų31.33%0.03118%0.176CC..EExtended strand (participates in β ladder)trans172.7153.2167.400000111.3R36 A40 F41 L145R36-G44 PolarHBondContact NH2-O 2.81Å; A40-G44 PolarHBondContact O-N 3.43Å; A40-G44 VanDerWaalsContact O-N 3.12Å; A40-G44 VanDerWaalsContact O-O 3.08Å; F41-G44 CarbonylContact O-C 3.55Å; F41-G44 VanDerWaalsContact O-C 3.31Å; F41-G44 PolarHBondContact O-N 3.34Å; G44-L145 CarbonylContact C-O 3.47Å; G44-L145 WeakPolarHBondContact CA-O 3.46Å
45H94.8Very high87.5Confident33 Ų3333 Ų3315%0.15319%0.185CC..EExtended strand (participates in β ladder)trans-154.3164.9-173.755.6-85.7000111.2F41 R47 Y133 C144 L145F41-H45 HydrophobicContact CD2-CB 3.38Å; F41-H45 AromaticContact CD2-CG 3.59Å; F41-H45 AromaticContact CD2-ND1 3.99Å; F41-H45 AromaticContact CE1-CE1 3.98Å; F41-H45 AromaticContact CE1-ND1 3.97Å; F41-H45 HydrophobicContact CE2-CB 3.58Å; F41-H45 AromaticContact CE2-CD2 3.45Å; F41-H45 VanDerWaalsContact CE2-CD2 3.45Å; F41-H45 WeakPolarHBondContact CE2-CD2 3.44Å; F41-H45 AromaticContact CE2-CG 3.35Å; F41-H45 AromaticContact CE2-ND1 3.85Å; F41-H45 HydrophobicContact CG-CB 4.13Å; F41-H45 HydrophobicContact CZ-CB 4.42Å; F41-H45 AromaticContact CZ-CD2 3.63Å; F41-H45 AromaticContact CZ-CE1 3.81Å; F41-H45 AromaticContact CZ-CG 3.73Å; F41-H45 AromaticContact CZ-ND1 3.82Å; F41-H45 AromaticContact CZ-NE2 3.71Å; F41-H45 PolarHBondContact O-ND1 2.93Å; H45-R47 PolarHBondContact O-N 2.85Å; H45-Y133 VanDerWaalsContact CA-CE2 3.49Å; H45-C144 CarbonylContact O-C 3.49Å; H45-C144 VanDerWaalsContact O-CA 3.28Å; H45-C144 WeakPolarHBondContact O-CA 3.49Å; H45-L145 PolarHBondContact N-O 2.79Å; H45-L145 PolarHBondContact O-N 2.91Å
46I95.6Very high86Confident0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-65.3134.1175.6-58.6-179.4000108.9L19 L23 G48 S49 Y94 L129 Y133 F136L19-I46 HydrophobicContact CD2-CD1 3.95Å; L23-I46 HydrophobicContact CD1-CG2 3.65Å; I46-G48 PolarHBondContact O-N 2.81Å; I46-S49 VanDerWaalsContact O-CB 3.27Å; I46-S49 WeakPolarHBondContact O-CB 3.49Å; I46-S49 PolarHBondContact O-N 3.22Å; I46-S49 PolarHBondContact O-OG 3.3Å; I46-Y94 HydrophobicContact CB-CE1 4.14Å; I46-Y94 HydrophobicContact CD1-CD1 3.9Å; I46-Y94 HydrophobicContact CD1-CD2 4.44Å; I46-Y94 HydrophobicContact CD1-CE1 3.7Å; I46-Y94 HydrophobicContact CD1-CE2 4.29Å; I46-Y94 HydrophobicContact CD1-CG 4.25Å; I46-Y94 HydrophobicContact CG1-CE1 3.99Å; I46-Y94 HydrophobicContact CG1-CE2 4.34Å; I46-Y94 PolarHBondContact N-OH 3.05Å; I46-L129 HydrophobicContact CD1-CD2 3.69Å; I46-Y133 HydrophobicContact CG1-CD2 3.98Å; I46-Y133 HydrophobicContact CG1-CE2 4.25Å; I46-F136 HydrophobicContact CD1-CB 4.18Å; I46-F136 HydrophobicContact CD1-CD1 3.6Å; I46-F136 HydrophobicContact CD1-CD2 4.29Å; I46-F136 HydrophobicContact CD1-CE1 4.03Å; I46-F136 HydrophobicContact CD1-CG 3.74Å; I46-F136 HydrophobicContact CG1-CD1 3.73Å; I46-F136 HydrophobicContact CG1-CE1 4.04Å; I46-F136 HydrophobicContact CG1-CG 4.36Å; I46-F136 HydrophobicContact CG2-CD1 4.49Å; I46-F136 HydrophobicContact CG2-CE1 3.94Å; I46-F136 HydrophobicContact CG2-CZ 4.35Å
47R91.8Very high84.4Confident166 Ų16635.2 Ų35.263%0.62620%0.2SC*.THydrogen-bonded Turntrans-56.2131.1-177.6-178178.9174.6175.9-2.7110.9H45 S49 F143 L145H45-R47 PolarHBondContact O-N 2.85Å; R47-S49 VanDerWaalsContact C-N 3.25Å; R47-S49 PolarHBondContact O-N 3Å; R47-F143 VanDerWaalsContact CB-O 3.26Å; R47-F143 WeakPolarHBondContact CB-O 3.29Å; R47-F143 PolarHBondContact N-O 3.27Å; R47-L145 HydrophobicContact CB-CG 4.32Å; R47-L145 HydrophobicContact CG-CG 4.44Å
48G89.5Confident83.3Confident62 Ų6233.3 Ų33.364%0.63919%0.185SC*.THydrogen-bonded Turntrans78.34.5-179.500000114.4I46I46-G48 PolarHBondContact O-N 2.81Å
49S93.7Very high82.3Confident9 Ų936.3 Ų36.36%0.06320%0.196CC..  trans-78.2152.7174.276.40000112.6V32 I46 R47 Y94V32-S49 CarbonylContact O-C 3.55Å; V32-S49 WeakPolarHBondContact O-CA 3.44Å; V32-S49 WeakPolarHBondContact O-CB 3.49Å; I46-S49 VanDerWaalsContact O-CB 3.27Å; I46-S49 WeakPolarHBondContact O-CB 3.49Å; I46-S49 PolarHBondContact O-N 3.22Å; I46-S49 PolarHBondContact O-OG 3.3Å; R47-S49 VanDerWaalsContact C-N 3.25Å; R47-S49 PolarHBondContact O-N 3Å; S49-Y94 PolarHBondContact OG-OH 3.07Å
50V92.4Very high81.2Confident22 Ų2244.6 Ų44.613%0.13323%0.226CC..EExtended strand (participates in β ladder)trans-114130.3177.4-178.50000108.7L31 V32 L33 D34 A52 L73 V79L31-V50 HydrophobicContact CD1-CG2 4.15Å; V32-V50 PolarHBondContact O-N 3.38Å; L33-V50 CarbonylContact C-O 3.57Å; L33-V50 WeakPolarHBondContact CA-O 3.34Å; L33-V50 HydrophobicContact CD2-CB 3.99Å; D34-V50 PolarHBondContact N-O 2.56Å; V50-A52 PolarHBondContact O-N 2.93Å; V50-L73 HydrophobicContact CG1-CD2 4Å; V50-V79 HydrophobicContact CG2-CG2 4.19Å
51N91.9Very high79.9Confident10 Ų1045.6 Ų45.65%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-73.9123178.1-176.8-123.9000111.8D34 R36 F41 R53D34-N51 PolarHBondContact O-ND2 3.38Å; D34-N51 VanDerWaalsContact O-ND2 3.1Å; R36-N51 PolarHBondContact O-ND2 2.94Å; F41-N51 HydrophobicContact CB-CB 4.12Å; F41-N51 HydrophobicContact CD1-CB 3.82Å; F41-N51 HydrophobicContact CD2-CB 3.72Å; F41-N51 HydrophobicContact CE1-CB 4.12Å; F41-N51 HydrophobicContact CE2-CB 4.01Å; F41-N51 HydrophobicContact CG-CB 3.62Å; F41-N51 HydrophobicContact CZ-CB 4.21Å; N51-R53 PolarHBondContact O-N 3.32Å
52A88.4Confident78.4Confident2 Ų244.9 Ų44.92%0.01723%0.225CC..  trans-74.4114.9170.500000110D34 V50 C54 V72 V113D34-A52 PolarHBondContact O-N 3.16Å; V50-A52 PolarHBondContact O-N 2.93Å; A52-C54 VanDerWaalsContact C-N 3.28Å; A52-C54 PolarHBondContact O-N 3.48Å; A52-V72 HydrophobicContact CB-CG1 3.88Å; A52-V113 HydrophobicContact CB-CG2 3.53Å
53R76.4Confident76.8Confident96 Ų9653 Ų5336%0.36226%0.259SS..  trans-83.463-171.4-58.8-172.6-169.1174.710.4112.4N51 V72 A74 D76N51-R53 PolarHBondContact O-N 3.32Å; R53-V72 PolarHBondContact N-O 2.81Å; R53-A74 PolarHBondContact NE-O 2.9Å; R53-A74 PolarHBondContact NH1-O 2.92Å; R53-D76 IonicContact NH2-OD2 3.89Å; R53-D76 PolarHBondContact NH2-OD2 3.17Å
54C73.3Confident75.3Confident6 Ų654.7 Ų54.74%0.04128%0.281CS..  trans-10755.7-177.8-620000113.1A52 R59 L67 T109A52-C54 VanDerWaalsContact C-N 3.28Å; A52-C54 PolarHBondContact O-N 3.48Å; C54-R59 PolarHBondContact O-NE 3.5Å; C54-R59 VanDerWaalsContact O-NE 3.12Å; C54-R59 PolarHBondContact O-NH2 3.06Å; C54-L67 HydrophobicContact CB-CD1 4.48Å; C54-T109 HydrophobicContact CB-CG2 3.5Å
55N66.9Low73.8Confident35 Ų3558.5 Ų58.519%0.18731%0.307CS..  trans-65.4166.4176.861.338.2000112.4I57 V58 R59 R279N55-I57 PolarHBondContact O-N 3.23Å; N55-I57 VanDerWaalsContact OD1-CB 3.32Å; N55-I57 WeakPolarHBondContact OD1-CB 2.89Å; N55-I57 PolarHBondContact OD1-N 3.17Å; N55-I57 VanDerWaalsContact OD1-N 3.14Å; N55-V58 PolarHBondContact O-N 3.15Å; N55-V58 VanDerWaalsContact O-N 3.09Å; N55-V58 VanDerWaalsContact OD1-CG2 3.31Å; N55-V58 WeakPolarHBondContact OD1-CG2 3.49Å; N55-V58 PolarHBondContact OD1-N 3.33Å; N55-R59 WeakPolarHBondContact O-CG 3.39Å; N55-R59 PolarHBondContact O-N 3.16Å; N55-R59 VanDerWaalsContact O-N 3.08Å; N55-R279 WeakPolarHBondContact ND2-CB 3.23Å; N55-R279 PolarHBondContact ND2-O 3.32Å
56T61.1Low72.4Confident59 Ų5958.6 Ų58.636%0.36231%0.31SS..Hα-helixtrans-53-25.3179.247.40000113.4R60T56-R60 WeakPolarHBondContact O-CB 3.21Å; T56-R60 VanDerWaalsContact O-CG 3.29Å; T56-R60 WeakPolarHBondContact O-CG 3.48Å; T56-R60 PolarHBondContact O-N 3.17Å
57I59.4Low71.3Confident13 Ų1358.7 Ų58.77%0.06731%0.31CS..Hα-helixtrans-80.3-44.5-178.9-55.2146.9000111.1N55 R59 R60 R61 R279 L314N55-I57 PolarHBondContact O-N 3.23Å; N55-I57 VanDerWaalsContact OD1-CB 3.32Å; N55-I57 WeakPolarHBondContact OD1-CB 2.89Å; N55-I57 PolarHBondContact OD1-N 3.17Å; N55-I57 VanDerWaalsContact OD1-N 3.14Å; I57-R59 PolarHBondContact O-N 3.25Å; I57-R60 PolarHBondContact O-N 3.23Å; I57-R61 WeakPolarHBondContact O-CB 3.45Å; I57-R61 VanDerWaalsContact O-CG 3.28Å; I57-R61 WeakPolarHBondContact O-CG 3.41Å; I57-R61 PolarHBondContact O-N 2.99Å; I57-R279 HydrophobicContact CD1-CB 4.4Å; I57-R279 WeakPolarHBondContact CD1-O 3.28Å; I57-L314 HydrophobicContact CD1-CB 3.81Å; I57-L314 HydrophobicContact CD1-CD1 3.68Å; I57-L314 HydrophobicContact CD1-CD2 3.36Å; I57-L314 HydrophobicContact CD1-CG 3.75Å; I57-L314 HydrophobicContact CG1-CB 4.09Å; I57-L314 HydrophobicContact CG1-CD1 4.31Å; I57-L314 HydrophobicContact CG1-CG 4.49Å; I57-L314 WeakPolarHBondContact CG2-O 3.33Å
58V63.4Low70.7Confident21 Ų2152.6 Ų52.613%0.12729%0.294CS..Hα-helixtrans-58.4-41.2172.6171.30000109N55 R61 A62 L67N55-V58 PolarHBondContact O-N 3.15Å; N55-V58 VanDerWaalsContact O-N 3.09Å; N55-V58 VanDerWaalsContact OD1-CG2 3.31Å; N55-V58 WeakPolarHBondContact OD1-CG2 3.49Å; N55-V58 PolarHBondContact OD1-N 3.33Å; V58-R61 PolarHBondContact O-N 3.38Å; V58-A62 PolarHBondContact O-N 3.35Å; V58-A62 VanDerWaalsContact O-N 3.13Å; V58-L67 HydrophobicContact CG1-CD1 3.77Å; V58-L67 HydrophobicContact CG1-CD2 3.47Å; V58-L67 VanDerWaalsContact CG1-CD2 3.47Å; V58-L67 HydrophobicContact CG1-CG 4.3Å
59R66.7Low70.2Confident93 Ų9349.8 Ų49.835%0.35126%0.264SS..Hα-helixtrans-62.3-47173.1-62.2-173.2-138.6178.612.2113.3C54 N55 I57 R61 A62 D107 T109 L112C54-R59 PolarHBondContact O-NE 3.5Å; C54-R59 VanDerWaalsContact O-NE 3.12Å; C54-R59 PolarHBondContact O-NH2 3.06Å; N55-R59 WeakPolarHBondContact O-CG 3.39Å; N55-R59 PolarHBondContact O-N 3.16Å; N55-R59 VanDerWaalsContact O-N 3.08Å; I57-R59 PolarHBondContact O-N 3.25Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-R61 PolarHBondContact O-N 3.26Å; R59-A62 PolarHBondContact O-N 3.44Å; R59-D107 PolarHBondContact NH1-O 3.5Å; R59-T109 PolarHBondContact NH2-OG1 2.6Å; R59-L112 HydrophobicContact CG-CD1 3.52Å
60R61.7Low69.5Low192 Ų19252.2 Ų52.273%0.72528%0.276SS*.Hα-helixtrans-61.7-39.6177.8-81.1178.1-177.2-175.90.9112.3T56 I57 A62 K63T56-R60 WeakPolarHBondContact O-CB 3.21Å; T56-R60 VanDerWaalsContact O-CG 3.29Å; T56-R60 WeakPolarHBondContact O-CG 3.48Å; T56-R60 PolarHBondContact O-N 3.17Å; I57-R60 PolarHBondContact O-N 3.23Å; R60-A62 VanDerWaalsContact C-N 3.32Å; R60-K63 PolarHBondContact O-N 3.39Å
61R59.9Low68.8Low41 Ų4154.3 Ų54.316%0.15528%0.284CS..Hα-helixtrans-70-31.3-179.2-72.3171-167.8179.4-0.4112.9I57 V58 R59 K63 L314 S317I57-R61 WeakPolarHBondContact O-CB 3.45Å; I57-R61 VanDerWaalsContact O-CG 3.28Å; I57-R61 WeakPolarHBondContact O-CG 3.41Å; I57-R61 PolarHBondContact O-N 2.99Å; V58-R61 PolarHBondContact O-N 3.38Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-R61 PolarHBondContact O-N 3.26Å; R61-K63 PolarHBondContact O-N 3.27Å; R61-K63 VanDerWaalsContact O-N 3.16Å; R61-L314 PolarHBondContact NH2-O 3.04Å; R61-S317 PolarHBondContact NH1-OG 3.31Å
62A59.8Low68.3Low17 Ų1754 Ų5414%0.1428%0.283CS..Hα-helixtrans-61.1-23.1176.300000112.2V58 R59 R60 G64 S65 L67V58-A62 PolarHBondContact O-N 3.35Å; V58-A62 VanDerWaalsContact O-N 3.13Å; R59-A62 PolarHBondContact O-N 3.44Å; R60-A62 VanDerWaalsContact C-N 3.32Å; A62-G64 PolarHBondContact O-N 3.32Å; A62-S65 WeakPolarHBondContact CB-O 3.16Å; A62-S65 WeakPolarHBondContact O-CA 3.36Å; A62-S65 WeakPolarHBondContact O-CB 3.49Å; A62-S65 PolarHBondContact O-N 3.46Å; A62-L67 HydrophobicContact CB-CD2 3.74Å
63K52.7Low68Low184 Ų18453.9 Ų53.980%0.828%0.282SS*.THydrogen-bonded Turntrans46.533.4177.6-67.7-174.9179.4178.90113.9R60 R61R60-K63 PolarHBondContact O-N 3.39Å; R61-K63 PolarHBondContact O-N 3.27Å; R61-K63 VanDerWaalsContact O-N 3.16Å
64G53.7Low67.6Low84 Ų8451.2 Ų51.287%0.86628%0.28SS*.THydrogen-bonded Turntrans86.1-1.2-175.100000115.7A62A62-G64 PolarHBondContact O-N 3.32Å
65S57.3Low67.4Low84 Ų8453.5 Ų53.559%0.58731%0.305SS*.SBendtrans-72150.5163.4-173.10000110.8A62A62-S65 WeakPolarHBondContact CB-O 3.16Å; A62-S65 WeakPolarHBondContact O-CA 3.36Å; A62-S65 WeakPolarHBondContact O-CB 3.49Å; A62-S65 PolarHBondContact O-N 3.46Å
66V64.2Low68.1Low34 Ų3454.2 Ų54.221%0.20631%0.309CS..PPolyproline II helixtrans-73.2136.3175.1-175.90000109.2N115V66-N115 HydrophobicContact CG1-CB 3.83Å
67L73Confident69.1Low2 Ų257.1 Ų57.11%0.0132%0.319CS..PPolyproline II helixtrans-67.1142.4174.7-64.9179.9000110.6C54 V58 A62 V72 L112 A116C54-L67 HydrophobicContact CB-CD1 4.48Å; V58-L67 HydrophobicContact CG1-CD1 3.77Å; V58-L67 HydrophobicContact CG1-CD2 3.47Å; V58-L67 VanDerWaalsContact CG1-CD2 3.47Å; V58-L67 HydrophobicContact CG1-CG 4.3Å; A62-L67 HydrophobicContact CB-CD2 3.74Å; L67-V72 HydrophobicContact CB-CG2 4.05Å; L67-V72 HydrophobicContact CD1-CG2 4.31Å; L67-L112 HydrophobicContact CD1-CB 4.06Å; L67-L112 HydrophobicContact CD1-CD1 4.31Å; L67-A116 VanDerWaalsContact O-CB 3.26Å; L67-A116 WeakPolarHBondContact O-CB 3.31Å
68S79.3Confident70.4Confident39 Ų3963 Ų6327%0.27335%0.345SS..PPolyproline II helixtrans-86.6161.3170.670.10000111.8D70 Q71 V72S68-D70 PolarHBondContact O-N 2.95Å; S68-Q71 PolarHBondContact O-N 2.81Å; S68-V72 WeakPolarHBondContact O-CG2 3.32Å; S68-V72 PolarHBondContact O-N 2.97Å; S68-V72 VanDerWaalsContact O-N 3.15Å
69L78.3Confident71.6Confident2 Ų262.8 Ų62.81%0.0134%0.344CS..Hα-helixtrans-58.6-33.2175.4-156.989.7000112.2Q71 V72 L73 R80 L83 L117 D120L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-Q71 PolarHBondContact O-N 3.46Å; L69-V72 PolarHBondContact O-N 3.2Å; L69-L73 HydrophobicContact CD1-CD1 4.49Å; L69-L73 HydrophobicContact CG-CD1 4.28Å; L69-L73 PolarHBondContact O-N 3.4Å; L69-R80 HydrophobicContact CD2-CB 3.99Å; L69-R80 HydrophobicContact CD2-CG 3.84Å; L69-R80 HydrophobicContact CG-CG 4.4Å; L69-R80 WeakPolarHBondContact O-CD 3.37Å; L69-L83 HydrophobicContact CD1-CD1 4.13Å; L69-L83 HydrophobicContact CD2-CB 4.12Å; L69-L83 HydrophobicContact CD2-CD1 4Å; L69-L117 HydrophobicContact CD1-CD2 3.72Å; L69-L117 HydrophobicContact CD1-CG 4.44Å; L69-D120 HydrophobicContact CB-CB 4.12Å; L69-D120 VanDerWaalsContact CB-OD2 3.26Å; L69-D120 WeakPolarHBondContact CB-OD2 3.28Å; L69-D120 PolarHBondContact N-OD2 3.47Å
70D79.6Confident72.6Confident61 Ų6159.5 Ų59.533%0.32633%0.332SS..Hα-helixtrans-61.5-35.2176.9-56.8-67000112.3S68 A74 R80 R84S68-D70 PolarHBondContact O-N 2.95Å; D70-A74 VanDerWaalsContact O-CA 3.26Å; D70-A74 WeakPolarHBondContact O-CA 3.22Å; D70-A74 WeakPolarHBondContact O-CB 3.26Å; D70-A74 PolarHBondContact O-N 3.5Å; D70-R80 IonicContact OD1-CZ 3.94Å; D70-R80 VanDerWaalsContact OD1-CZ 3.25Å; D70-R80 IonicContact OD1-NE 3.65Å; D70-R80 IonicContact OD1-NH1 3.69Å; D70-R80 PolarHBondContact OD1-NH1 3.06Å; D70-R80 IonicContact OD1-NH2 3.74Å; D70-R84 VanDerWaalsContact CG-NH2 3.31Å; D70-R84 IonicContact OD1-CZ 2.63Å; D70-R84 IonicContact OD1-NH1 3.76Å; D70-R84 IonicContact OD1-NH2 2.59Å; D70-R84 PolarHBondContact OD1-NH2 3.18Å; D70-R84 VanDerWaalsContact OD1-NH2 3.15Å; D70-R84 IonicContact OD2-CZ 3.42Å; D70-R84 IonicContact OD2-NH2 2.61Å; D70-R84 PolarHBondContact OD2-NH2 3.18Å
71Q78.1Confident73.8Confident66 Ų6652.2 Ų52.231%0.30832%0.317SS..Hα-helixtrans-78.6-38.2178.3-67.2173.8-23.200111.6S68 L69S68-Q71 PolarHBondContact O-N 2.81Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-Q71 PolarHBondContact O-N 3.46Å
72V81.8Confident75.2Confident2 Ų253.5 Ų53.51%0.01232%0.322CS..Hα-helixtrans-71.1-41.9-178.8175.30000111.9A52 R53 L67 S68 L69 V113 A116A52-V72 HydrophobicContact CB-CG1 3.88Å; R53-V72 PolarHBondContact N-O 2.81Å; L67-V72 HydrophobicContact CB-CG2 4.05Å; L67-V72 HydrophobicContact CD1-CG2 4.31Å; S68-V72 WeakPolarHBondContact O-CG2 3.32Å; S68-V72 PolarHBondContact O-N 2.97Å; S68-V72 VanDerWaalsContact O-N 3.15Å; L69-V72 PolarHBondContact O-N 3.2Å; V72-V113 HydrophobicContact CG1-CB 4.4Å; V72-V113 HydrophobicContact CG1-CG1 4.17Å; V72-V113 HydrophobicContact CG1-CG2 3.76Å; V72-A116 HydrophobicContact CG2-CB 3.8Å
73L80.9Confident76.5Confident0 Ų052.8 Ų52.80%032%0.315CS..THydrogen-bonded Turntrans-114.341.5-177.3-60.8175.6000111L33 V50 L69 G75 D76 V79 R80 L83L33-L73 HydrophobicContact CD2-CD2 3.91Å; V50-L73 HydrophobicContact CG1-CD2 4Å; L69-L73 HydrophobicContact CD1-CD1 4.49Å; L69-L73 HydrophobicContact CG-CD1 4.28Å; L69-L73 PolarHBondContact O-N 3.4Å; L73-G75 PolarHBondContact O-N 2.82Å; L73-D76 PolarHBondContact O-N 3.37Å; L73-V79 HydrophobicContact CD1-CG1 4.04Å; L73-R80 HydrophobicContact CB-CG 3.7Å; L73-R80 HydrophobicContact CD1-CG 4.16Å; L73-L83 HydrophobicContact CD1-CD1 3.54Å
74A69.2Low78.2Confident40 Ų4049.8 Ų49.833%0.33130%0.299SS..THydrogen-bonded Turntrans-58.7113.7-17900000110.2R53 D70R53-A74 PolarHBondContact NE-O 2.9Å; R53-A74 PolarHBondContact NH1-O 2.92Å; D70-A74 VanDerWaalsContact O-CA 3.26Å; D70-A74 WeakPolarHBondContact O-CA 3.22Å; D70-A74 WeakPolarHBondContact O-CB 3.26Å; D70-A74 PolarHBondContact O-N 3.5Å
75G68.4Low79.7Confident55 Ų5549.5 Ų49.557%0.56728%0.284SS*.THydrogen-bonded Turntrans100.41.8178.300000116.3L73L73-G75 PolarHBondContact O-N 2.82Å
76D80.8Confident81.1Confident49 Ų4947.4 Ų47.426%0.26228%0.276SS..  trans-115.566.8174.6-69.5-70.8000110.1R53 L73 E78 V79 R80R53-D76 IonicContact NH2-OD2 3.89Å; R53-D76 PolarHBondContact NH2-OD2 3.17Å; L73-D76 PolarHBondContact O-N 3.37Å; D76-E78 VanDerWaalsContact C-N 3.28Å; D76-E78 PolarHBondContact O-N 2.78Å; D76-V79 HydrophobicContact CB-CB 4.13Å; D76-V79 HydrophobicContact CB-CG2 4.09Å; D76-V79 PolarHBondContact O-N 2.81Å; D76-R80 PolarHBondContact O-N 3.16Å
77E83Confident82.2Confident121 Ų12151.1 Ų51.157%0.56529%0.292SS*.Hα-helixtrans-54.9-41.3-175.7-60.6-55.5125.300112.8R80 G81E77-R80 PolarHBondContact O-N 3.41Å; E77-R80 IonicContact OE1-CZ 2.87Å; E77-R80 IonicContact OE1-NH2 3.72Å; E77-R80 PolarHBondContact OE1-NH2 2.87Å; E77-R80 IonicContact OE2-CZ 2.66Å; E77-R80 IonicContact OE2-NH1 3Å; E77-R80 IonicContact OE2-NH2 3.1Å; E77-R80 PolarHBondContact OE2-NH2 3.1Å; E77-G81 PolarHBondContact O-N 2.68Å
78E86.8Confident83Confident135 Ų13551.9 Ų51.963%0.63130%0.295SS*.Hα-helixtrans-62.8-47.6-179.9-170.6-167.715300111D76 R80 G81 R82D76-E78 VanDerWaalsContact C-N 3.28Å; D76-E78 PolarHBondContact O-N 2.78Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 2.84Å; E78-G81 PolarHBondContact O-N 3.36Å; E78-R82 WeakPolarHBondContact O-CB 3.24Å; E78-R82 VanDerWaalsContact O-CG 3.3Å; E78-R82 WeakPolarHBondContact O-CG 3.36Å; E78-R82 PolarHBondContact O-N 2.77Å; E78-R82 IonicContact OE1-NH1 3.22Å
79V88.4Confident83.4Confident17 Ų1752.2 Ų52.210%0.10330%0.298CS..Hα-helixtrans-62.3-43.4179.5-179.10000110.2L31 V50 L73 D76 R82 L83 Y88L31-V79 HydrophobicContact CD1-CG1 3.81Å; L31-V79 HydrophobicContact CD2-CG1 3.7Å; L31-V79 HydrophobicContact CG-CG1 4.43Å; V50-V79 HydrophobicContact CG2-CG2 4.19Å; L73-V79 HydrophobicContact CD1-CG1 4.04Å; D76-V79 HydrophobicContact CB-CB 4.13Å; D76-V79 HydrophobicContact CB-CG2 4.09Å; D76-V79 PolarHBondContact O-N 2.81Å; V79-R82 PolarHBondContact O-N 2.77Å; V79-L83 HydrophobicContact CG1-CD1 4.23Å; V79-L83 WeakPolarHBondContact O-CB 3.4Å; V79-L83 PolarHBondContact O-N 3.38Å; V79-Y88 HydrophobicContact CG1-CE2 4.34Å
80R88.3Confident84Confident24 Ų2453.2 Ų53.29%0.09130%0.304CS..Hα-helixtrans-63.1-43.6175.8-69.3-161.6-70.5106-6.4112.2L69 D70 L73 D76 E77 E78 R82 L83 R84L69-R80 HydrophobicContact CD2-CB 3.99Å; L69-R80 HydrophobicContact CD2-CG 3.84Å; L69-R80 HydrophobicContact CG-CG 4.4Å; L69-R80 WeakPolarHBondContact O-CD 3.37Å; D70-R80 IonicContact OD1-CZ 3.94Å; D70-R80 VanDerWaalsContact OD1-CZ 3.25Å; D70-R80 IonicContact OD1-NE 3.65Å; D70-R80 IonicContact OD1-NH1 3.69Å; D70-R80 PolarHBondContact OD1-NH1 3.06Å; D70-R80 IonicContact OD1-NH2 3.74Å; L73-R80 HydrophobicContact CB-CG 3.7Å; L73-R80 HydrophobicContact CD1-CG 4.16Å; D76-R80 PolarHBondContact O-N 3.16Å; E77-R80 PolarHBondContact O-N 3.41Å; E77-R80 IonicContact OE1-CZ 2.87Å; E77-R80 IonicContact OE1-NH2 3.72Å; E77-R80 PolarHBondContact OE1-NH2 2.87Å; E77-R80 IonicContact OE2-CZ 2.66Å; E77-R80 IonicContact OE2-NH1 3Å; E77-R80 IonicContact OE2-NH2 3.1Å; E77-R80 PolarHBondContact OE2-NH2 3.1Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 2.84Å; R80-R82 PolarHBondContact O-N 2.84Å; R80-L83 PolarHBondContact O-N 2.94Å; R80-R84 WeakPolarHBondContact O-CG 3.22Å; R80-R84 PolarHBondContact O-N 3.26Å
81G86.9Confident84.7Confident40 Ų4050.3 Ų50.341%0.41229%0.288SS..Hα-helixtrans-61.4-42.8177.100000112.4E77 E78 R84 S85E77-G81 PolarHBondContact O-N 2.68Å; E78-G81 PolarHBondContact O-N 3.36Å; G81-R84 PolarHBondContact O-N 3.29Å; G81-S85 WeakPolarHBondContact O-CB 3.37Å; G81-S85 PolarHBondContact O-N 2.83Å; G81-S85 PolarHBondContact O-OG 2.75Å
82R88.8Confident85.5Confident68 Ų6847.2 Ų47.226%0.25727%0.274SS..Hα-helixtrans-67.3-39.2176.7-71.4178.967.6157.81.7112.8G28 E78 V79 R80 S85 G86 M87 Y88G28-R82 PolarHBondContact O-NH2 2.66Å; E78-R82 WeakPolarHBondContact O-CB 3.24Å; E78-R82 VanDerWaalsContact O-CG 3.3Å; E78-R82 WeakPolarHBondContact O-CG 3.36Å; E78-R82 PolarHBondContact O-N 2.77Å; E78-R82 IonicContact OE1-NH1 3.22Å; V79-R82 PolarHBondContact O-N 2.77Å; R80-R82 PolarHBondContact O-N 2.84Å; R82-S85 WeakPolarHBondContact CA-OG 3.06Å; R82-S85 PolarHBondContact O-N 3.47Å; R82-S85 PolarHBondContact O-OG 2.98Å; R82-G86 PolarHBondContact O-N 3.33Å; R82-M87 HydrophobicContact CB-CB 4.09Å; R82-M87 HydrophobicContact CB-SD 4.35Å; R82-M87 HydrophobicContact CG-CB 4.44Å; R82-M87 HydrophobicContact CG-SD 3.79Å; R82-M87 WeakPolarHBondContact O-CB 3.36Å; R82-M87 PolarHBondContact O-N 3.23Å; R82-Y88 HydrophobicContact CB-CD2 3.96Å; R82-Y88 HydrophobicContact CB-CE2 3.36Å; R82-Y88 HydrophobicContact CG-CE2 4.49Å; R82-Y88 PolarHBondContact NE-OH 3.23Å
83L87.8Confident86.2Confident1 Ų147.1 Ų47.11%0.00527%0.273CS..Hα-helixtrans-61.7-49.3173.3-85.2167000111.7L31 L69 L73 V79 R80 S85 G86 Y88 V91 L117L31-L83 HydrophobicContact CD2-CD1 3.66Å; L31-L83 HydrophobicContact CD2-CD2 3.9Å; L31-L83 HydrophobicContact CD2-CG 3.84Å; L69-L83 HydrophobicContact CD1-CD1 4.13Å; L69-L83 HydrophobicContact CD2-CB 4.12Å; L69-L83 HydrophobicContact CD2-CD1 4Å; L73-L83 HydrophobicContact CD1-CD1 3.54Å; V79-L83 HydrophobicContact CG1-CD1 4.23Å; V79-L83 WeakPolarHBondContact O-CB 3.4Å; V79-L83 PolarHBondContact O-N 3.38Å; R80-L83 PolarHBondContact O-N 2.94Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 3.1Å; L83-G86 PolarHBondContact O-N 3.29Å; L83-G86 VanDerWaalsContact O-N 3.15Å; L83-Y88 HydrophobicContact CB-CD2 4.45Å; L83-Y88 HydrophobicContact CD2-CD2 3.86Å; L83-Y88 HydrophobicContact CG-CD2 3.74Å; L83-Y88 HydrophobicContact CG-CE2 4.11Å; L83-V91 HydrophobicContact CD2-CG2 3.72Å; L83-L117 HydrophobicContact CD1-CD2 4.14Å; L83-L117 HydrophobicContact CD2-CD2 4.02Å
84R86.6Confident87Confident122 Ų12247.1 Ų47.146%0.4627%0.273SS..Hα-helixtrans-65.7-28.2-179.9-73.7179.3172.6167.92.6113.6D70 R80 G81 G86D70-R84 VanDerWaalsContact CG-NH2 3.31Å; D70-R84 IonicContact OD1-CZ 2.63Å; D70-R84 IonicContact OD1-NH1 3.76Å; D70-R84 IonicContact OD1-NH2 2.59Å; D70-R84 PolarHBondContact OD1-NH2 3.18Å; D70-R84 VanDerWaalsContact OD1-NH2 3.15Å; D70-R84 IonicContact OD2-CZ 3.42Å; D70-R84 IonicContact OD2-NH2 2.61Å; D70-R84 PolarHBondContact OD2-NH2 3.18Å; R80-R84 WeakPolarHBondContact O-CG 3.22Å; R80-R84 PolarHBondContact O-N 3.26Å; G81-R84 PolarHBondContact O-N 3.29Å; R84-G86 VanDerWaalsContact C-N 3.35Å
85S86.2Confident88.2Confident77 Ų7746.6 Ų46.654%0.53827%0.265SS..THydrogen-bonded Turntrans-88.52.5176.553.50000114G81 R82 L83 M87G81-S85 WeakPolarHBondContact O-CB 3.37Å; G81-S85 PolarHBondContact O-N 2.83Å; G81-S85 PolarHBondContact O-OG 2.75Å; R82-S85 WeakPolarHBondContact CA-OG 3.06Å; R82-S85 PolarHBondContact O-N 3.47Å; R82-S85 PolarHBondContact O-OG 2.98Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 3.1Å; S85-M87 VanDerWaalsContact C-N 3.27Å; S85-M87 PolarHBondContact O-N 3.38Å
86G85.9Confident89.4Confident41 Ų4146.8 Ų46.842%0.42325%0.251SS..THydrogen-bonded Turntrans69.521.517900000114R82 L83 R84 Y88R82-G86 PolarHBondContact O-N 3.33Å; L83-G86 PolarHBondContact O-N 3.29Å; L83-G86 VanDerWaalsContact O-N 3.15Å; R84-G86 VanDerWaalsContact C-N 3.35Å; G86-Y88 PolarHBondContact O-N 3.5Å
87M87.9Confident90.2Very high112 Ų11252.9 Ų52.955%0.55227%0.27SS*.  trans-71.9-20.1178.9-75.2-172.4143.200113.2R82 S85R82-M87 HydrophobicContact CB-CB 4.09Å; R82-M87 HydrophobicContact CB-SD 4.35Å; R82-M87 HydrophobicContact CG-CB 4.44Å; R82-M87 HydrophobicContact CG-SD 3.79Å; R82-M87 WeakPolarHBondContact O-CB 3.36Å; R82-M87 PolarHBondContact O-N 3.23Å; S85-M87 VanDerWaalsContact C-N 3.27Å; S85-M87 PolarHBondContact O-N 3.38Å
88Y89.3Confident90.7Very high17 Ų1748.2 Ų48.27%0.06725%0.25CC..  trans-95.4115.1171.8-62.4-64.9000109.3G28 R29 L31 V79 R82 L83 G86 V90 T124G28-Y88 WeakPolarHBondContact O-CE1 3.47Å; R29-Y88 CarbonylContact O-C 3.5Å; R29-Y88 WeakPolarHBondContact O-CA 3.17Å; L31-Y88 HydrophobicContact CB-CD1 3.69Å; L31-Y88 HydrophobicContact CB-CD2 4.12Å; L31-Y88 HydrophobicContact CB-CE1 3.84Å; L31-Y88 HydrophobicContact CB-CE2 4.23Å; L31-Y88 HydrophobicContact CB-CG 3.83Å; L31-Y88 HydrophobicContact CD1-CE1 4.48Å; L31-Y88 HydrophobicContact CD1-CE2 4.48Å; L31-Y88 HydrophobicContact CD2-CD2 4.12Å; L31-Y88 HydrophobicContact CD2-CE2 4.01Å; L31-Y88 HydrophobicContact CG-CE2 4.48Å; V79-Y88 HydrophobicContact CG1-CE2 4.34Å; R82-Y88 HydrophobicContact CB-CD2 3.96Å; R82-Y88 HydrophobicContact CB-CE2 3.36Å; R82-Y88 HydrophobicContact CG-CE2 4.49Å; R82-Y88 PolarHBondContact NE-OH 3.23Å; L83-Y88 HydrophobicContact CB-CD2 4.45Å; L83-Y88 HydrophobicContact CD2-CD2 3.86Å; L83-Y88 HydrophobicContact CG-CD2 3.74Å; L83-Y88 HydrophobicContact CG-CE2 4.11Å; G86-Y88 PolarHBondContact O-N 3.5Å; Y88-V90 VanDerWaalsContact C-N 3.33Å; Y88-T124 WeakPolarHBondContact O-CG2 3.39Å; Y88-T124 PolarHBondContact O-OG1 3.37Å
89S88.1Confident91Very high47 Ų4744.7 Ų44.733%0.32924%0.239SC..SBendtrans-78-25.4172.256.70000111.9R29 L125R29-S89 PolarHBondContact O-N 2.7Å; R29-S89 PolarHBondContact O-OG 3.26Å; S89-L125 PolarHBondContact O-N 2.98Å
90V91.2Very high91.3Very high23 Ų2346.2 Ų46.214%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-134.7132-176.6177.50000109.7M14 R29 C30 L31 Y88 V92 L125 Y127M14-V90 HydrophobicContact CE-CG1 4.11Å; R29-V90 PolarHBondContact O-N 3.25Å; C30-V90 WeakPolarHBondContact CA-O 3.41Å; L31-V90 PolarHBondContact N-O 2.8Å; Y88-V90 VanDerWaalsContact C-N 3.33Å; V90-V92 HydrophobicContact CG1-CG2 3.92Å; V90-L125 CarbonylContact C-O 3.31Å; V90-L125 WeakPolarHBondContact CA-O 3.26Å; V90-Y127 HydrophobicContact CG1-CD2 3.83Å; V90-Y127 HydrophobicContact CG1-CE2 4.1Å
91V93.8Very high91.5Very high0 Ų046.1 Ų46.10%025%0.25CC..EExtended strand (participates in β ladder)trans-118.7128.8168.2174.30000108.7L31 L33 L83 L93 L117 T124 L125 V126 Y127L31-V91 HydrophobicContact CB-CG2 4.16Å; L31-V91 HydrophobicContact CD2-CG2 4.32Å; L31-V91 CarbonylContact O-C 3.54Å; L31-V91 WeakPolarHBondContact O-CA 3.26Å; L33-V91 HydrophobicContact CD1-CG1 3.86Å; L33-V91 HydrophobicContact CG-CG1 4.16Å; L83-V91 HydrophobicContact CD2-CG2 3.72Å; V91-L93 HydrophobicContact CG1-CD2 3.86Å; V91-L117 HydrophobicContact CG1-CD1 3.83Å; V91-T124 HydrophobicContact CB-CG2 4.09Å; V91-T124 HydrophobicContact CG2-CG2 3.41Å; V91-T124 VanDerWaalsContact CG2-CG2 3.41Å; V91-L125 PolarHBondContact N-O 3.12Å; V91-V126 HydrophobicContact CB-CG2 4.48Å; V91-V126 HydrophobicContact CG1-CG1 4.5Å; V91-V126 CarbonylContact O-C 3.57Å; V91-V126 WeakPolarHBondContact O-CA 3.34Å; V91-Y127 PolarHBondContact O-N 3.26Å
92V95.5Very high91.6Very high0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-112.7118.2178.9-168.50000109.1M14 L19 L31 V32 L33 V90 Y127 L129M14-V92 HydrophobicContact CE-CB 4.23Å; M14-V92 HydrophobicContact CE-CG1 4.02Å; M14-V92 HydrophobicContact CE-CG2 3.24Å; M14-V92 HydrophobicContact SD-CG1 4.36Å; M14-V92 HydrophobicContact SD-CG2 4.01Å; L19-V92 HydrophobicContact CD1-CB 4.47Å; L19-V92 HydrophobicContact CD1-CG1 4.43Å; L19-V92 HydrophobicContact CD1-CG2 4.17Å; L19-V92 HydrophobicContact CD2-CG1 4.36Å; L31-V92 PolarHBondContact O-N 3.18Å; V32-V92 CarbonylContact C-O 3.57Å; V32-V92 WeakPolarHBondContact CA-O 3.47Å; V32-V92 HydrophobicContact CG1-CB 4.45Å; L33-V92 PolarHBondContact N-O 3.15Å; V90-V92 HydrophobicContact CG1-CG2 3.92Å; V92-Y127 CarbonylContact C-O 3.47Å; V92-Y127 WeakPolarHBondContact CA-O 3.27Å; V92-L129 HydrophobicContact CG1-CB 4.09Å
93L96.3Very high91.8Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-94.7139.2174.3-51.6-174.5000109.1L33 V91 V110 V113 L114 L117 V126 Y127 L128 L129L33-L93 HydrophobicContact CB-CD2 3.75Å; L33-L93 HydrophobicContact CD1-CD2 3.77Å; L33-L93 HydrophobicContact CG-CD2 4.21Å; V91-L93 HydrophobicContact CG1-CD2 3.86Å; L93-V110 HydrophobicContact CB-CG1 4.47Å; L93-V110 HydrophobicContact CD1-CG1 4.12Å; L93-V113 HydrophobicContact CD1-CG1 4.41Å; L93-V113 HydrophobicContact CD2-CG1 3.8Å; L93-L114 HydrophobicContact CD1-CB 4.16Å; L93-L114 HydrophobicContact CD1-CD1 4.07Å; L93-L117 HydrophobicContact CD1-CD1 4.48Å; L93-L117 HydrophobicContact CD2-CD1 3.9Å; L93-V126 HydrophobicContact CD1-CG1 3.84Å; L93-V126 HydrophobicContact CG-CG1 3.87Å; L93-Y127 PolarHBondContact N-O 3.49Å; L93-L128 WeakPolarHBondContact O-CA 3.45Å; L93-L129 PolarHBondContact O-N 3.11Å
94Y96.9Very high91.8Very high0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-143.1143.9168.672-92.9000111.1V32 L33 D34 C35 I46 S49 L129 Y133V32-Y94 HydrophobicContact CG1-CD1 3.68Å; V32-Y94 HydrophobicContact CG1-CE1 3.53Å; L33-Y94 WeakPolarHBondContact O-CD1 3.27Å; L33-Y94 PolarHBondContact O-N 3.32Å; L33-Y94 VanDerWaalsContact O-N 3.1Å; D34-Y94 HydrophobicContact CB-CE1 3.92Å; D34-Y94 HydrophobicContact CB-CE2 3.93Å; D34-Y94 VanDerWaalsContact CB-CZ 3.46Å; D34-Y94 VanDerWaalsContact CB-OH 3.27Å; D34-Y94 WeakPolarHBondContact CB-OH 3.44Å; D34-Y94 WeakPolarHBondContact OD2-CE2 3.14Å; D34-Y94 PolarHBondContact OD2-OH 3.3Å; C35-Y94 WeakPolarHBondContact CA-O 3.45Å; C35-Y94 VanDerWaalsContact CB-O 3.28Å; C35-Y94 WeakPolarHBondContact CB-O 3.43Å; C35-Y94 PolarHBondContact N-O 3.3Å; I46-Y94 HydrophobicContact CB-CE1 4.14Å; I46-Y94 HydrophobicContact CD1-CD1 3.9Å; I46-Y94 HydrophobicContact CD1-CD2 4.44Å; I46-Y94 HydrophobicContact CD1-CE1 3.7Å; I46-Y94 HydrophobicContact CD1-CE2 4.29Å; I46-Y94 HydrophobicContact CD1-CG 4.25Å; I46-Y94 HydrophobicContact CG1-CE1 3.99Å; I46-Y94 HydrophobicContact CG1-CE2 4.34Å; I46-Y94 PolarHBondContact N-OH 3.05Å; S49-Y94 PolarHBondContact OG-OH 3.07Å; Y94-L129 HydrophobicContact CG-CD2 4.25Å; Y94-Y133 AromaticContact CE2-CD2 3.87Å; Y94-Y133 HydrophobicContact CE2-CD2 3.87Å; Y94-Y133 HydrophobicContact CE2-CG 4.24Å
95D95Very high91.9Very high29 Ų2952.7 Ų52.716%0.15529%0.287CS..  trans-110.4-157.9167.2723.4000110.3C35 R97 T98 V110 G132 Y133C35-D95 HydrophobicContact CB-CB 4.43Å; D95-R97 PolarHBondContact OD1-N 2.83Å; D95-R97 VanDerWaalsContact OD1-N 3.09Å; D95-T98 VanDerWaalsContact CG-OG1 3.28Å; D95-T98 VanDerWaalsContact OD1-CB 3.26Å; D95-T98 WeakPolarHBondContact OD1-CB 3.26Å; D95-T98 PolarHBondContact OD1-N 2.8Å; D95-T98 PolarHBondContact OD1-OG1 3.19Å; D95-T98 VanDerWaalsContact OD2-CB 3.31Å; D95-T98 WeakPolarHBondContact OD2-CB 3.26Å; D95-T98 PolarHBondContact OD2-OG1 3.5Å; D95-V110 HydrophobicContact CB-CG2 3.89Å; D95-G132 CarbonylContact O-C 3.46Å; D95-G132 WeakPolarHBondContact O-CA 3.28Å; D95-Y133 PolarHBondContact O-N 2.95Å
96E94.8Very high91.7Very high59 Ų5956.8 Ų56.828%0.27630%0.298SS..SBendtrans-68-46.6-178.4-156.676.6-101.400112.3R36 Y133 D134R36-E96 VanDerWaalsContact CD-CD 3.44Å; R36-E96 VanDerWaalsContact CD-OE1 3.23Å; R36-E96 WeakPolarHBondContact CD-OE1 3.49Å; R36-E96 WeakPolarHBondContact CD-OE2 3.36Å; R36-E96 HydrophobicContact CG-CB 4.4Å; R36-E96 IonicContact CZ-OE1 2.81Å; R36-E96 IonicContact NE-OE1 3.8Å; R36-E96 IonicContact NH1-OE1 3.37Å; R36-E96 PolarHBondContact NH1-OE1 3.34Å; R36-E96 IonicContact NH1-OE2 2.81Å; E96-Y133 PolarHBondContact O-N 3.4Å; E96-D134 WeakPolarHBondContact O-CB 3.2Å; E96-D134 PolarHBondContact O-N 3.42Å
97R96Very high91.3Very high177 Ų17760.4 Ų60.467%0.66831%0.307SS*.SBendtrans-153.62.2-157.6-83.6-176.5-90.8-174.7-4.5115.9D95 P99 D134D95-R97 PolarHBondContact OD1-N 2.83Å; D95-R97 VanDerWaalsContact OD1-N 3.09Å; R97-P99 WeakPolarHBondContact O-CD 3.41Å; R97-D134 WeakPolarHBondContact CD-OD2 3.45Å; R97-D134 HydrophobicContact CG-CB 3.85Å; R97-D134 WeakPolarHBondContact CG-OD2 3.36Å; R97-D134 IonicContact CZ-OD2 2.79Å; R97-D134 IonicContact NE-OD2 3.4Å; R97-D134 PolarHBondContact NE-OD2 2.91Å
98T95.2Very high91.2Very high23 Ų2356 Ų5614%0.14129%0.287CS..  trans-64.6122.9-176.1-67.90000110D95 D100 V104 L128 G131 G132D95-T98 VanDerWaalsContact CG-OG1 3.28Å; D95-T98 VanDerWaalsContact OD1-CB 3.26Å; D95-T98 WeakPolarHBondContact OD1-CB 3.26Å; D95-T98 PolarHBondContact OD1-N 2.8Å; D95-T98 PolarHBondContact OD1-OG1 3.19Å; D95-T98 VanDerWaalsContact OD2-CB 3.31Å; D95-T98 WeakPolarHBondContact OD2-CB 3.26Å; D95-T98 PolarHBondContact OD2-OG1 3.5Å; T98-D100 VanDerWaalsContact CG2-O 3.27Å; T98-D100 WeakPolarHBondContact CG2-O 3.38Å; T98-V104 HydrophobicContact CG2-CG2 3.87Å; T98-L128 HydrophobicContact CG2-CD2 4.1Å; T98-G131 CarbonylContact O-C 3.59Å; T98-G131 VanDerWaalsContact O-CA 3.3Å; T98-G131 WeakPolarHBondContact O-CA 2.96Å; T98-G131 PolarHBondContact O-N 3.37Å; T98-G132 PolarHBondContact O-N 2.81Å
99P93.1Very high91.2Very high61 Ų6156 Ų5640%0.39629%0.289SS..  trans-74.8-36.5-170.126.9-33.7000113.4R97 K130 G131R97-P99 WeakPolarHBondContact O-CD 3.41Å; P99-K130 VanDerWaalsContact O-CA 3.26Å; P99-K130 WeakPolarHBondContact O-CA 3.29Å; P99-K130 VanDerWaalsContact O-CB 3.26Å; P99-K130 WeakPolarHBondContact O-CB 3.35Å; P99-K130 WeakPolarHBondContact O-CG 3.45Å; P99-G131 PolarHBondContact O-N 3.21Å
100D93.9Very high91.3Very high49 Ų4953.8 Ų53.826%0.26227%0.274SS..SBendtrans-155.7167.9-168.148.259.9000110.7E13 T98 D102 S103 L128E13-D100 VanDerWaalsContact OE1-CA 3.32Å; E13-D100 WeakPolarHBondContact OE1-CA 3.48Å; E13-D100 WeakPolarHBondContact OE1-CB 3.37Å; T98-D100 VanDerWaalsContact CG2-O 3.27Å; T98-D100 WeakPolarHBondContact CG2-O 3.38Å; D100-D102 VanDerWaalsContact C-N 3.28Å; D100-D102 PolarHBondContact O-N 2.89Å; D100-D102 PolarHBondContact OD1-N 2.97Å; D100-S103 PolarHBondContact O-N 2.82Å; D100-S103 WeakPolarHBondContact OD1-CB 3.11Å; D100-S103 PolarHBondContact OD1-N 3.44Å; D100-S103 PolarHBondContact OD1-OG 2.9Å; D100-L128 VanDerWaalsContact C-CD2 3.49Å; D100-L128 WeakPolarHBondContact O-CD2 3.49Å
101S91.7Very high91.1Very high23 Ų2353 Ų5316%0.16127%0.269CS..G310 helixtrans-64.9-31.9-178.155.40000112.7E13 S103 V104E13-S101 PolarHBondContact OE1-N 3.01Å; E13-S101 PolarHBondContact OE1-OG 2.96Å; S101-S103 VanDerWaalsContact C-N 3.25Å; S101-S103 PolarHBondContact O-N 3.19Å; S101-V104 WeakPolarHBondContact O-CB 3.43Å; S101-V104 WeakPolarHBondContact O-CG2 3.25Å; S101-V104 PolarHBondContact O-N 3.49Å
102D90Very high90.8Very high152 Ų15254.6 Ų54.681%0.81328%0.277SS*.G310 helixtrans-68.5-27.2-179.3-67-19.1000112.1D100 V104D100-D102 VanDerWaalsContact C-N 3.28Å; D100-D102 PolarHBondContact O-N 2.89Å; D100-D102 PolarHBondContact OD1-N 2.97Å; D102-V104 VanDerWaalsContact C-N 3.31Å
103S91.9Very high90.5Very high56 Ų5654.6 Ų54.639%0.39228%0.277SS..G310 helixtrans-83.2-3.3177.9-62.30000114D100 S101 K105D100-S103 PolarHBondContact O-N 2.82Å; D100-S103 WeakPolarHBondContact OD1-CB 3.11Å; D100-S103 PolarHBondContact OD1-N 3.44Å; D100-S103 PolarHBondContact OD1-OG 2.9Å; S101-S103 VanDerWaalsContact C-N 3.25Å; S101-S103 PolarHBondContact O-N 3.19Å; S103-K105 PolarHBondContact O-N 3.19Å
104V89.4Confident90.1Very high10 Ų1054.7 Ų54.76%0.06128%0.278CS..  trans-71.4118.6-179.21780000110.3M8 T98 S101 D102 V110 T111 L128M8-V104 HydrophobicContact CE-CB 3.8Å; M8-V104 HydrophobicContact CE-CG1 3.95Å; M8-V104 HydrophobicContact SD-CG1 4.39Å; T98-V104 HydrophobicContact CG2-CG2 3.87Å; S101-V104 WeakPolarHBondContact O-CB 3.43Å; S101-V104 WeakPolarHBondContact O-CG2 3.25Å; S101-V104 PolarHBondContact O-N 3.49Å; D102-V104 VanDerWaalsContact C-N 3.31Å; V104-V110 HydrophobicContact CG1-CB 4.18Å; V104-V110 HydrophobicContact CG1-CG1 4.05Å; V104-V110 HydrophobicContact CG2-CG1 4.46Å; V104-T111 VanDerWaalsContact CG1-OG1 3.3Å; V104-T111 WeakPolarHBondContact CG1-OG1 3.47Å; V104-L128 HydrophobicContact CG2-CD2 3.52Å
105K87.6Confident89.6Confident150 Ų15055.2 Ų55.265%0.65228%0.281SS*.  trans-71.1142177.9-57.1-179.1-179.9-178.90111.6S103 D107 S108 T111S103-K105 PolarHBondContact O-N 3.19Å; K105-D107 PolarHBondContact O-N 3.34Å; K105-S108 WeakPolarHBondContact O-CB 3.28Å; K105-S108 PolarHBondContact O-N 2.8Å; K105-S108 PolarHBondContact O-OG 2.93Å; K105-T111 PolarHBondContact O-OG1 3.19Å
106E81.6Confident89.1Confident164 Ų16453.8 Ų53.877%0.76627%0.273SS*.THydrogen-bonded Turntrans-57.8-34.2179.3-65.5-173.1166.300113.4T111E106-T111 WeakPolarHBondContact O-CB 3.26Å; E106-T111 WeakPolarHBondContact O-CG2 3.31Å
107D78.6Confident88.7Confident116 Ų11651 Ų5162%0.6226%0.26SS*.THydrogen-bonded Turntrans-94.28.5-179.771.6-30.5000113.8R59 K105R59-D107 PolarHBondContact NH1-O 3.5Å; K105-D107 PolarHBondContact O-N 3.34Å
108S86.3Confident88Confident19 Ų1945.8 Ų45.813%0.13324%0.242CC..SBendtrans-70.3158.9-178.777.10000112.5K105 V110 T111 L112K105-S108 WeakPolarHBondContact O-CB 3.28Å; K105-S108 PolarHBondContact O-N 2.8Å; K105-S108 PolarHBondContact O-OG 2.93Å; S108-V110 VanDerWaalsContact C-N 3.26Å; S108-V110 PolarHBondContact O-N 2.74Å; S108-V110 PolarHBondContact OG-N 3.16Å; S108-T111 PolarHBondContact O-N 3.35Å; S108-T111 PolarHBondContact OG-N 2.91Å; S108-T111 VanDerWaalsContact OG-N 3.1Å; S108-T111 PolarHBondContact OG-OG1 2.92Å; S108-L112 WeakPolarHBondContact O-CG 3.23Å; S108-L112 PolarHBondContact O-N 3.29Å
109T87.6Confident87.1Confident18 Ų1851.3 Ų51.311%0.1126%0.261CS..Hα-helixtrans-63.1-36.1172.1-64.10000111.7C35 C54 R59 T111 L112 V113C35-T109 HydrophobicContact CB-CG2 3.85Å; C35-T109 WeakPolarHBondContact O-CB 3.49Å; C35-T109 VanDerWaalsContact O-CG2 3.23Å; C35-T109 WeakPolarHBondContact O-CG2 3.38Å; C54-T109 HydrophobicContact CB-CG2 3.5Å; R59-T109 PolarHBondContact NH2-OG1 2.6Å; T109-T111 PolarHBondContact O-N 3.26Å; T109-L112 PolarHBondContact O-N 3.22Å; T109-V113 HydrophobicContact CG2-CG2 4.04Å; T109-V113 WeakPolarHBondContact O-CG2 3.3Å; T109-V113 PolarHBondContact O-N 3.23Å
110V90.8Very high86.2Confident1 Ų151.1 Ų51.11%0.00626%0.256CS..Hα-helixtrans-55.9-52.1175.5175.70000110.2C35 L93 D95 V104 S108 L112 V113 L114 L128C35-V110 HydrophobicContact CB-CG2 3.78Å; L93-V110 HydrophobicContact CB-CG1 4.47Å; L93-V110 HydrophobicContact CD1-CG1 4.12Å; D95-V110 HydrophobicContact CB-CG2 3.89Å; V104-V110 HydrophobicContact CG1-CB 4.18Å; V104-V110 HydrophobicContact CG1-CG1 4.05Å; V104-V110 HydrophobicContact CG2-CG1 4.46Å; S108-V110 VanDerWaalsContact C-N 3.26Å; S108-V110 PolarHBondContact O-N 2.74Å; S108-V110 PolarHBondContact OG-N 3.16Å; V110-L112 VanDerWaalsContact C-N 3.3Å; V110-L112 PolarHBondContact O-N 3.13Å; V110-V113 PolarHBondContact O-N 3.42Å; V110-L114 VanDerWaalsContact O-CB 3.24Å; V110-L114 WeakPolarHBondContact O-CB 3.27Å; V110-L114 PolarHBondContact O-N 3.1Å; V110-L128 HydrophobicContact CG1-CD1 4.01Å; V110-L128 HydrophobicContact CG2-CD1 4.47Å
111T88.2Confident85Confident5 Ų549.4 Ų49.43%0.03125%0.248CC..Hα-helixtrans-60.3-39.5179.6-53.70000112.4V104 K105 E106 S108 T109 N115V104-T111 VanDerWaalsContact CG1-OG1 3.3Å; V104-T111 WeakPolarHBondContact CG1-OG1 3.47Å; K105-T111 PolarHBondContact O-OG1 3.19Å; E106-T111 WeakPolarHBondContact O-CB 3.26Å; E106-T111 WeakPolarHBondContact O-CG2 3.31Å; S108-T111 PolarHBondContact O-N 3.35Å; S108-T111 PolarHBondContact OG-N 2.91Å; S108-T111 VanDerWaalsContact OG-N 3.1Å; S108-T111 PolarHBondContact OG-OG1 2.92Å; T109-T111 PolarHBondContact O-N 3.26Å; T111-N115 WeakPolarHBondContact O-CB 3.18Å; T111-N115 PolarHBondContact O-N 3.38Å; T111-N115 PolarHBondContact O-ND2 3.38Å
112L85.9Confident84Confident34 Ų3457 Ų5718%0.17828%0.281CS..Hα-helixtrans-67-43.2178.3-68.6172.2000112.5R59 L67 S108 T109 V110 A116R59-L112 HydrophobicContact CG-CD1 3.52Å; L67-L112 HydrophobicContact CD1-CB 4.06Å; L67-L112 HydrophobicContact CD1-CD1 4.31Å; S108-L112 WeakPolarHBondContact O-CG 3.23Å; S108-L112 PolarHBondContact O-N 3.29Å; T109-L112 PolarHBondContact O-N 3.22Å; V110-L112 VanDerWaalsContact C-N 3.3Å; V110-L112 PolarHBondContact O-N 3.13Å; L112-A116 PolarHBondContact O-N 3.1Å
113V88.8Confident83.2Confident1 Ų153.7 Ų53.71%0.00628%0.282CS..Hα-helixtrans-65.3-43.6176.2174.40000110.4L33 A52 V72 L93 T109 V110 N115 A116 L117L33-V113 HydrophobicContact CD1-CG1 3.93Å; A52-V113 HydrophobicContact CB-CG2 3.53Å; V72-V113 HydrophobicContact CG1-CB 4.4Å; V72-V113 HydrophobicContact CG1-CG1 4.17Å; V72-V113 HydrophobicContact CG1-CG2 3.76Å; L93-V113 HydrophobicContact CD1-CG1 4.41Å; L93-V113 HydrophobicContact CD2-CG1 3.8Å; T109-V113 HydrophobicContact CG2-CG2 4.04Å; T109-V113 WeakPolarHBondContact O-CG2 3.3Å; T109-V113 PolarHBondContact O-N 3.23Å; V110-V113 PolarHBondContact O-N 3.42Å; V113-N115 PolarHBondContact O-N 2.66Å; V113-A116 WeakPolarHBondContact O-CB 3.35Å; V113-A116 PolarHBondContact O-N 2.87Å; V113-A116 VanDerWaalsContact O-N 3.16Å; V113-L117 HydrophobicContact CG1-CD1 3.93Å; V113-L117 HydrophobicContact CG1-CG 4.39Å; V113-L117 WeakPolarHBondContact O-CG 3.36Å; V113-L117 PolarHBondContact O-N 2.94Å
114L88.9Confident82.9Confident1 Ų151.8 Ų51.81%0.00527%0.268CS..Hα-helixtrans-57.1-50.1177.6-173.465.2000111.6M8 L11 L93 V110 A116 L117 F118 V126M8-L114 HydrophobicContact SD-CD2 3.88Å; L11-L114 HydrophobicContact CB-CD2 4.2Å; L11-L114 HydrophobicContact CD1-CD1 3.88Å; L11-L114 HydrophobicContact CD1-CD2 4.42Å; L11-L114 HydrophobicContact CD2-CD2 4.04Å; L11-L114 HydrophobicContact CG-CD2 4.46Å; L93-L114 HydrophobicContact CD1-CB 4.16Å; L93-L114 HydrophobicContact CD1-CD1 4.07Å; V110-L114 VanDerWaalsContact O-CB 3.24Å; V110-L114 WeakPolarHBondContact O-CB 3.27Å; V110-L114 PolarHBondContact O-N 3.1Å; L114-A116 VanDerWaalsContact C-N 3.27Å; L114-A116 PolarHBondContact O-N 2.61Å; L114-L117 PolarHBondContact O-N 2.93Å; L114-L117 VanDerWaalsContact O-N 3.16Å; L114-F118 HydrophobicContact CD1-CD2 3.92Å; L114-F118 HydrophobicContact CD1-CE2 3.36Å; L114-F118 HydrophobicContact CD1-CZ 4.28Å; L114-F118 HydrophobicContact CD2-CE2 4.26Å; L114-F118 HydrophobicContact CG-CD2 3.84Å; L114-F118 HydrophobicContact CG-CE2 3.58Å; L114-F118 VanDerWaalsContact O-CD2 3.28Å; L114-F118 WeakPolarHBondContact O-CD2 3.14Å; L114-F118 PolarHBondContact O-N 3.31Å; L114-V126 HydrophobicContact CD1-CB 4.07Å; L114-V126 HydrophobicContact CD1-CG1 3.57Å
115N85.3Confident82.9Confident11 Ų1156 Ų566%0.05929%0.29CS..Hα-helixtrans-61.1-35177.2-78.3-59000112.9H4 V66 T111 V113H4-N115 PolarHBondContact CE1-ND2 2.85Å; H4-N115 VanDerWaalsContact CE1-ND2 3.29Å; H4-N115 PolarHBondContact ND1-OD1 2.79Å; V66-N115 HydrophobicContact CG1-CB 3.83Å; T111-N115 WeakPolarHBondContact O-CB 3.18Å; T111-N115 PolarHBondContact O-N 3.38Å; T111-N115 PolarHBondContact O-ND2 3.38Å; V113-N115 PolarHBondContact O-N 2.66Å
116A85.1Confident83.2Confident0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-68.7-41.1175.700000111.5L67 V72 L112 V113 L114 R119 D120L67-A116 VanDerWaalsContact O-CB 3.26Å; L67-A116 WeakPolarHBondContact O-CB 3.31Å; V72-A116 HydrophobicContact CG2-CB 3.8Å; L112-A116 PolarHBondContact O-N 3.1Å; V113-A116 WeakPolarHBondContact O-CB 3.35Å; V113-A116 PolarHBondContact O-N 2.87Å; V113-A116 VanDerWaalsContact O-N 3.16Å; L114-A116 VanDerWaalsContact C-N 3.27Å; L114-A116 PolarHBondContact O-N 2.61Å; A116-R119 PolarHBondContact O-N 2.91Å; A116-D120 PolarHBondContact O-N 3.33Å
117L86.8Confident83.8Confident1 Ų144.6 Ų44.61%0.00524%0.237CC..Hα-helixtrans-64.7-45.4178.1-71.7167.3000112.2L33 L69 L83 V91 L93 V113 L114 R119 D120 S121 V126L33-L117 HydrophobicContact CD1-CD1 4.12Å; L33-L117 HydrophobicContact CD1-CD2 4.48Å; L69-L117 HydrophobicContact CD1-CD2 3.72Å; L69-L117 HydrophobicContact CD1-CG 4.44Å; L83-L117 HydrophobicContact CD1-CD2 4.14Å; L83-L117 HydrophobicContact CD2-CD2 4.02Å; V91-L117 HydrophobicContact CG1-CD1 3.83Å; L93-L117 HydrophobicContact CD1-CD1 4.48Å; L93-L117 HydrophobicContact CD2-CD1 3.9Å; V113-L117 HydrophobicContact CG1-CD1 3.93Å; V113-L117 HydrophobicContact CG1-CG 4.39Å; V113-L117 WeakPolarHBondContact O-CG 3.36Å; V113-L117 PolarHBondContact O-N 2.94Å; L114-L117 PolarHBondContact O-N 2.93Å; L114-L117 VanDerWaalsContact O-N 3.16Å; L117-R119 PolarHBondContact O-N 3.45Å; L117-D120 PolarHBondContact O-N 3.44Å; L117-S121 WeakPolarHBondContact O-CB 3.34Å; L117-S121 PolarHBondContact O-N 3.42Å; L117-S121 PolarHBondContact O-OG 2.64Å; L117-V126 HydrophobicContact CD1-CG1 4.28Å; L117-V126 HydrophobicContact CD1-CG2 4.46Å
118F81.6Confident84.7Confident67 Ų6739.1 Ų39.129%0.29421%0.208SC..Hα-helixtrans-64.7-25.2-179.6-83.4-66.7000114.3A7 D10 L114A7-F118 HydrophobicContact CB-CD2 3.55Å; A7-F118 HydrophobicContact CB-CE2 3.9Å; A7-F118 HydrophobicContact CB-CG 4.32Å; A7-F118 WeakPolarHBondContact O-CE2 3.49Å; D10-F118 HydrophobicContact CB-CE1 3.72Å; D10-F118 HydrophobicContact CB-CZ 3.48Å; D10-F118 VanDerWaalsContact CB-CZ 3.48Å; L114-F118 HydrophobicContact CD1-CD2 3.92Å; L114-F118 HydrophobicContact CD1-CE2 3.36Å; L114-F118 HydrophobicContact CD1-CZ 4.28Å; L114-F118 HydrophobicContact CD2-CE2 4.26Å; L114-F118 HydrophobicContact CG-CD2 3.84Å; L114-F118 HydrophobicContact CG-CE2 3.58Å; L114-F118 VanDerWaalsContact O-CD2 3.28Å; L114-F118 WeakPolarHBondContact O-CD2 3.14Å; L114-F118 PolarHBondContact O-N 3.31Å
119R77.1Confident85.2Confident139 Ų13938.2 Ų38.253%0.52520%0.201SC..Hα-helixtrans-77.5-40.4176.2-77.3-178.8167.5-122.3-1.5112.6L3 A116 L117L3-R119 HydrophobicContact CD2-CG 4.4Å; A116-R119 PolarHBondContact O-N 2.91Å; L117-R119 PolarHBondContact O-N 3.45Å
120D72.7Confident85.7Confident56 Ų5639.3 Ų39.330%0.29921%0.205SC..Hα-helixtrans-109.7-7.2-164.5-68.8-2.3000113.6L69 A116 L117L69-D120 HydrophobicContact CB-CB 4.12Å; L69-D120 VanDerWaalsContact CB-OD2 3.26Å; L69-D120 WeakPolarHBondContact CB-OD2 3.28Å; L69-D120 PolarHBondContact N-OD2 3.47Å; A116-D120 PolarHBondContact O-N 3.33Å; L117-D120 PolarHBondContact O-N 3.44Å
121S69.7Low85.9Confident14 Ų1439.7 Ų39.710%0.09821%0.209CC..  trans-122.5130.4177.569.60000111.5L117L117-S121 WeakPolarHBondContact O-CB 3.34Å; L117-S121 PolarHBondContact O-N 3.42Å; L117-S121 PolarHBondContact O-OG 2.64Å
122Q69.6Low86.3Confident183 Ų18339.5 Ų39.586%0.85521%0.208SC*.SBendtrans-109.3134.9174.6-66.6-173.22.400109.6T124Q122-T124 PolarHBondContact O-N 2.92Å
123G74.7Confident86.8Confident81 Ų8138.5 Ų38.584%0.83520%0.202SC*.SBendtrans79.310.7173.200000115.9
124T84.5Confident87.2Confident16 Ų1641.7 Ų41.710%0.09822%0.219CC..  trans-97.1127.5177.8-54.50000110.6Y88 V91 Q122Y88-T124 WeakPolarHBondContact O-CG2 3.39Å; Y88-T124 PolarHBondContact O-OG1 3.37Å; V91-T124 HydrophobicContact CB-CG2 4.09Å; V91-T124 HydrophobicContact CG2-CG2 3.41Å; V91-T124 VanDerWaalsContact CG2-CG2 3.41Å; Q122-T124 PolarHBondContact O-N 2.92Å
125L89.7Confident87.6Confident100 Ų10046.9 Ų46.952%0.52424%0.238SC..EExtended strand (participates in β ladder)trans-80.9126.5172.3-63.3173.3000109.7S89 V90 V91 Y127S89-L125 PolarHBondContact O-N 2.98Å; V90-L125 CarbonylContact C-O 3.31Å; V90-L125 WeakPolarHBondContact CA-O 3.26Å; V91-L125 PolarHBondContact N-O 3.12Å; L125-Y127 HydrophobicContact CB-CD2 4.35Å; L125-Y127 HydrophobicContact CB-CE2 3.59Å; L125-Y127 HydrophobicContact CD1-CE2 4.43Å
126V93.1Very high88.1Confident6 Ų646.4 Ų46.44%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-107.1131.7179.5-169.40000109.6L11 G12 V91 L93 L114 L117L11-V126 HydrophobicContact CD1-CG1 4.08Å; G12-V126 PolarHBondContact N-O 2.85Å; V91-V126 HydrophobicContact CB-CG2 4.48Å; V91-V126 HydrophobicContact CG1-CG1 4.5Å; V91-V126 CarbonylContact O-C 3.57Å; V91-V126 WeakPolarHBondContact O-CA 3.34Å; L93-V126 HydrophobicContact CD1-CG1 3.84Å; L93-V126 HydrophobicContact CG-CG1 3.87Å; L114-V126 HydrophobicContact CD1-CB 4.07Å; L114-V126 HydrophobicContact CD1-CG1 3.57Å; L117-V126 HydrophobicContact CD1-CG1 4.28Å; L117-V126 HydrophobicContact CD1-CG2 4.46Å
127Y95.4Very high88.7Confident68 Ų6849.8 Ų49.827%0.26725%0.249SC..EExtended strand (participates in β ladder)trans-127.5144.8-179.7-67.4-91.6000111.8G12 E13 M14 V90 V91 V92 L93 L125G12-Y127 CarbonylContact O-C 3.54Å; G12-Y127 WeakPolarHBondContact O-CA 3.48Å; E13-Y127 WeakPolarHBondContact O-CD1 3.46Å; M14-Y127 HydrophobicContact CB-CD1 4.34Å; M14-Y127 HydrophobicContact CB-CG 4.4Å; M14-Y127 VanDerWaalsContact CE-CB 3.48Å; M14-Y127 HydrophobicContact CE-CD1 4.26Å; M14-Y127 HydrophobicContact CE-CD2 3.75Å; M14-Y127 HydrophobicContact CE-CG 3.57Å; V90-Y127 HydrophobicContact CG1-CD2 3.83Å; V90-Y127 HydrophobicContact CG1-CE2 4.1Å; V91-Y127 PolarHBondContact O-N 3.26Å; V92-Y127 CarbonylContact C-O 3.47Å; V92-Y127 WeakPolarHBondContact CA-O 3.27Å; L93-Y127 PolarHBondContact N-O 3.49Å; L125-Y127 HydrophobicContact CB-CD2 4.35Å; L125-Y127 HydrophobicContact CB-CE2 3.59Å; L125-Y127 HydrophobicContact CD1-CE2 4.43Å
128L96.8Very high89.1Confident0 Ų053.6 Ų53.60%028%0.28CS..EExtended strand (participates in β ladder)trans-90130.9164.4-177.868.7000110.4L11 G12 M14 L93 T98 D100 V104 V110 K130L11-L128 HydrophobicContact CD1-CB 4.26Å; L11-L128 HydrophobicContact CD2-CB 4.19Å; L11-L128 HydrophobicContact CG-CB 4.34Å; G12-L128 PolarHBondContact O-N 3.36Å; M14-L128 PolarHBondContact N-O 3.28Å; L93-L128 WeakPolarHBondContact O-CA 3.45Å; T98-L128 HydrophobicContact CG2-CD2 4.1Å; D100-L128 VanDerWaalsContact C-CD2 3.49Å; D100-L128 WeakPolarHBondContact O-CD2 3.49Å; V104-L128 HydrophobicContact CG2-CD2 3.52Å; V110-L128 HydrophobicContact CG1-CD1 4.01Å; V110-L128 HydrophobicContact CG2-CD1 4.47Å; L128-K130 PolarHBondContact O-N 3.03Å
129L97.6Very high89.9Confident0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-75.3115171.1-176.663.8000110.5L19 I46 V92 L93 Y94 G131 G132 F136L19-L129 HydrophobicContact CB-CD1 4.04Å; L19-L129 HydrophobicContact CD2-CD1 3.72Å; L19-L129 HydrophobicContact CD2-CD2 3.65Å; L19-L129 HydrophobicContact CD2-CG 4.26Å; I46-L129 HydrophobicContact CD1-CD2 3.69Å; V92-L129 HydrophobicContact CG1-CB 4.09Å; L93-L129 PolarHBondContact O-N 3.11Å; Y94-L129 HydrophobicContact CG-CD2 4.25Å; L129-G131 PolarHBondContact O-N 2.91Å; L129-G132 PolarHBondContact O-N 3.2Å; L129-G132 VanDerWaalsContact O-N 3.13Å; L129-F136 HydrophobicContact CD1-CD2 4.29Å; L129-F136 HydrophobicContact CD2-CB 3.96Å; L129-F136 HydrophobicContact CD2-CD2 4.01Å; L129-F136 HydrophobicContact CD2-CG 4.16Å
130K97.1Very high90.8Very high41 Ų4148.8 Ų48.818%0.17826%0.264CS..THydrogen-bonded Turntrans-63.2127.1-178.7-71.1-171-69.6-174.30112.2E13 M14 D15 P99 L128 G132E13-K130 HydrophobicContact CB-CD 4.11Å; E13-K130 HydrophobicContact CB-CG 4.12Å; E13-K130 WeakPolarHBondContact OE2-CD 3.43Å; M14-K130 PolarHBondContact O-N 3.47Å; D15-K130 WeakPolarHBondContact OD1-CE 3.42Å; D15-K130 IonicContact OD1-NZ 2.79Å; D15-K130 PolarHBondContact OD1-NZ 3.15Å; D15-K130 WeakPolarHBondContact OD2-CE 3.42Å; D15-K130 IonicContact OD2-NZ 3.93Å; D15-K130 PolarHBondContact OD2-NZ 3.48Å; P99-K130 VanDerWaalsContact O-CA 3.26Å; P99-K130 WeakPolarHBondContact O-CA 3.29Å; P99-K130 VanDerWaalsContact O-CB 3.26Å; P99-K130 WeakPolarHBondContact O-CB 3.35Å; P99-K130 WeakPolarHBondContact O-CG 3.45Å; L128-K130 PolarHBondContact O-N 3.03Å; K130-G132 VanDerWaalsContact C-N 3.27Å
131G95.3Very high91.8Very high10 Ų1048.9 Ų48.910%0.10327%0.267CS..THydrogen-bonded Turntrans79.43.5-179.100000114.6T98 P99 L129 R135T98-G131 CarbonylContact O-C 3.59Å; T98-G131 VanDerWaalsContact O-CA 3.3Å; T98-G131 WeakPolarHBondContact O-CA 2.96Å; T98-G131 PolarHBondContact O-N 3.37Å; P99-G131 PolarHBondContact O-N 3.21Å; L129-G131 PolarHBondContact O-N 2.91Å; G131-R135 WeakPolarHBondContact O-CB 3.41Å; G131-R135 PolarHBondContact O-N 2.78Å
132G96.7Very high92.9Very high0 Ų053.7 Ų53.70%029%0.289CS..Hα-helixtrans61-159.4175.700000114.8D95 T98 L129 K130 F136D95-G132 CarbonylContact O-C 3.46Å; D95-G132 WeakPolarHBondContact O-CA 3.28Å; T98-G132 PolarHBondContact O-N 2.81Å; L129-G132 PolarHBondContact O-N 3.2Å; L129-G132 VanDerWaalsContact O-N 3.13Å; K130-G132 VanDerWaalsContact C-N 3.27Å; G132-F136 PolarHBondContact O-N 3.29Å
133Y97.1Very high94.1Very high14 Ų1446.5 Ų46.56%0.05525%0.254CS..Hα-helixtrans-62.5-41.8179.7-179.5-101.7000112.8H45 I46 Y94 D95 E96 R135 F136 Y137 C144H45-Y133 VanDerWaalsContact CA-CE2 3.49Å; I46-Y133 HydrophobicContact CG1-CD2 3.98Å; I46-Y133 HydrophobicContact CG1-CE2 4.25Å; Y94-Y133 AromaticContact CE2-CD2 3.87Å; Y94-Y133 HydrophobicContact CE2-CD2 3.87Å; Y94-Y133 HydrophobicContact CE2-CG 4.24Å; D95-Y133 PolarHBondContact O-N 2.95Å; E96-Y133 PolarHBondContact O-N 3.4Å; Y133-R135 VanDerWaalsContact C-N 3.34Å; Y133-R135 PolarHBondContact O-N 3.13Å; Y133-F136 PolarHBondContact O-N 3.36Å; Y133-Y137 HydrophobicContact CE1-CD2 4.45Å; Y133-Y137 HydrophobicContact CE1-CG 4.26Å; Y133-Y137 WeakPolarHBondContact O-CB 3.33Å; Y133-Y137 PolarHBondContact O-N 3.16Å; Y133-C144 HydrophobicContact CE2-CB 4.4Å
134D95.8Very high95Very high67 Ų6743.4 Ų43.436%0.35822%0.22SC..Hα-helixtrans-59.8-45.8-175.1-85.5-5.7000111.3E96 R97 A138E96-D134 WeakPolarHBondContact O-CB 3.2Å; E96-D134 PolarHBondContact O-N 3.42Å; R97-D134 WeakPolarHBondContact CD-OD2 3.45Å; R97-D134 HydrophobicContact CG-CB 3.85Å; R97-D134 WeakPolarHBondContact CG-OD2 3.36Å; R97-D134 IonicContact CZ-OD2 2.79Å; R97-D134 IonicContact NE-OD2 3.4Å; R97-D134 PolarHBondContact NE-OD2 2.91Å; D134-A138 WeakPolarHBondContact O-CB 3.38Å; D134-A138 PolarHBondContact O-N 3.24Å
135R97.4Very high95.3Very high111 Ų11146.8 Ų46.842%0.41924%0.237SC..Hα-helixtrans-66.7-47.2177.2-175.2178.4178.2175.30.4111.6G131 Y133 Y137 A138 E139G131-R135 WeakPolarHBondContact O-CB 3.41Å; G131-R135 PolarHBondContact O-N 2.78Å; Y133-R135 VanDerWaalsContact C-N 3.34Å; Y133-R135 PolarHBondContact O-N 3.13Å; R135-Y137 VanDerWaalsContact C-N 3.32Å; R135-Y137 PolarHBondContact O-N 3.44Å; R135-A138 PolarHBondContact O-N 3.12Å; R135-E139 WeakPolarHBondContact CG-OE1 3.46Å; R135-E139 IonicContact CZ-OE1 2.8Å; R135-E139 IonicContact NE-OE1 3.48Å; R135-E139 PolarHBondContact NE-OE1 2.81Å; R135-E139 IonicContact NH2-OE1 3.15Å; R135-E139 PolarHBondContact O-N 2.92Å
136F97.4Very high94.9Very high0 Ų047.3 Ų47.30%024%0.235CC..Hα-helixtrans-61.5-42.3-179.7-170.5-86000111.8C16 L19 L23 I46 L129 G132 Y133 E139 Y140 F143C16-F136 HydrophobicContact CB-CD2 3.75Å; C16-F136 HydrophobicContact CB-CE2 4.37Å; L19-F136 HydrophobicContact CB-CE2 3.98Å; L19-F136 HydrophobicContact CD2-CD2 4Å; L19-F136 HydrophobicContact CD2-CE2 3.72Å; L19-F136 HydrophobicContact CD2-CZ 4.27Å; L19-F136 HydrophobicContact CG-CE2 3.86Å; L19-F136 HydrophobicContact CG-CZ 4.34Å; L23-F136 HydrophobicContact CD1-CE1 4.45Å; L23-F136 HydrophobicContact CD1-CZ 3.83Å; I46-F136 HydrophobicContact CD1-CB 4.18Å; I46-F136 HydrophobicContact CD1-CD1 3.6Å; I46-F136 HydrophobicContact CD1-CD2 4.29Å; I46-F136 HydrophobicContact CD1-CE1 4.03Å; I46-F136 HydrophobicContact CD1-CG 3.74Å; I46-F136 HydrophobicContact CG1-CD1 3.73Å; I46-F136 HydrophobicContact CG1-CE1 4.04Å; I46-F136 HydrophobicContact CG1-CG 4.36Å; I46-F136 HydrophobicContact CG2-CD1 4.49Å; I46-F136 HydrophobicContact CG2-CE1 3.94Å; I46-F136 HydrophobicContact CG2-CZ 4.35Å; L129-F136 HydrophobicContact CD1-CD2 4.29Å; L129-F136 HydrophobicContact CD2-CB 3.96Å; L129-F136 HydrophobicContact CD2-CD2 4.01Å; L129-F136 HydrophobicContact CD2-CG 4.16Å; G132-F136 PolarHBondContact O-N 3.29Å; Y133-F136 PolarHBondContact O-N 3.36Å; F136-E139 PolarHBondContact O-N 3.16Å; F136-Y140 HydrophobicContact CD2-CD2 4.17Å; F136-Y140 AromaticContact CE2-CD2 3.96Å; F136-Y140 HydrophobicContact CE2-CD2 3.96Å; F136-Y140 HydrophobicContact CZ-CD2 4.23Å; F136-Y140 WeakPolarHBondContact O-CA 3.3Å; F136-Y140 PolarHBondContact O-N 3.03Å; F136-F143 HydrophobicContact CE1-CB 3.8Å; F136-F143 HydrophobicContact CZ-CB 4.09Å
137Y96.2Very high93.5Very high72 Ų7249.3 Ų49.328%0.28225%0.245SC..Hα-helixtrans-65-38.7176.6178.5-92.1000112.2Y133 R135 P141 C144 K146Y133-Y137 HydrophobicContact CE1-CD2 4.45Å; Y133-Y137 HydrophobicContact CE1-CG 4.26Å; Y133-Y137 WeakPolarHBondContact O-CB 3.33Å; Y133-Y137 PolarHBondContact O-N 3.16Å; R135-Y137 VanDerWaalsContact C-N 3.32Å; R135-Y137 PolarHBondContact O-N 3.44Å; Y137-P141 HydrophobicContact CD2-CB 4.44Å; Y137-P141 HydrophobicContact CE2-CB 3.94Å; Y137-P141 WeakPolarHBondContact O-CA 3.13Å; Y137-P141 WeakPolarHBondContact O-CB 2.99Å; Y137-P141 WeakPolarHBondContact O-CD 3.49Å; Y137-C144 HydrophobicContact CD2-CB 3.72Å; Y137-C144 HydrophobicContact CE2-CB 4.18Å; Y137-K146 HydrophobicContact CE2-CD 3.84Å; Y137-K146 HydrophobicContact CE2-CG 4.33Å; Y137-K146 WeakPolarHBondContact OH-CE 3.34Å; Y137-K146 PolarHBondContact OH-NZ 3.31Å
138A96.3Very high91.4Very high80 Ų8054.9 Ų54.966%0.66127%0.271SS*.Hα-helixtrans-66.1-37.9176.900000112.5D134 R135D134-A138 WeakPolarHBondContact O-CB 3.38Å; D134-A138 PolarHBondContact O-N 3.24Å; R135-A138 PolarHBondContact O-N 3.12Å
139E97.2Very high88.9Confident75 Ų7560.2 Ų60.235%0.3531%0.308SS..Hα-helixtrans-83.2-36.4-179.7-67-178.4-154.700113.2R135 F136R135-E139 WeakPolarHBondContact CG-OE1 3.46Å; R135-E139 IonicContact CZ-OE1 2.8Å; R135-E139 IonicContact NE-OE1 3.48Å; R135-E139 PolarHBondContact NE-OE1 2.81Å; R135-E139 IonicContact NH2-OE1 3.15Å; R135-E139 PolarHBondContact O-N 2.92Å; F136-E139 PolarHBondContact O-N 3.16Å
140Y95.8Very high85.9Confident30 Ų3067.1 Ų67.112%0.11834%0.344CS..  trans-138.560.8-171.3-51.3-61.1000113.1C16 T17 K20 F136 E142 F143C16-Y140 HydrophobicContact CB-CD2 4.16Å; C16-Y140 HydrophobicContact CB-CE2 3.68Å; T17-Y140 WeakPolarHBondContact CG2-OH 3.1Å; K20-Y140 HydrophobicContact CB-CD2 4.44Å; K20-Y140 HydrophobicContact CD-CD1 3.63Å; K20-Y140 HydrophobicContact CD-CE1 3.56Å; K20-Y140 HydrophobicContact CD-CG 4.18Å; K20-Y140 HydrophobicContact CG-CD1 4.39Å; K20-Y140 HydrophobicContact CG-CG 4.5Å; K20-Y140 VanDerWaalsContact NZ-CE1 3.3Å; F136-Y140 HydrophobicContact CD2-CD2 4.17Å; F136-Y140 AromaticContact CE2-CD2 3.96Å; F136-Y140 HydrophobicContact CE2-CD2 3.96Å; F136-Y140 HydrophobicContact CZ-CD2 4.23Å; F136-Y140 WeakPolarHBondContact O-CA 3.3Å; F136-Y140 PolarHBondContact O-N 3.03Å; Y140-E142 WeakPolarHBondContact CA-OE2 3.13Å; Y140-E142 PolarHBondContact O-N 3.39Å; Y140-E142 VanDerWaalsContact O-N 3.16Å; Y140-F143 PolarHBondContact O-N 3.1Å; Y140-F143 VanDerWaalsContact O-N 3.07Å
141P94.4Very high82.9Confident58 Ų5869.5 Ų69.538%0.37736%0.364SS..G310 helixtrans-60.9-26.4-17826.4-35.1000113.1Y137 F143 C144Y137-P141 HydrophobicContact CD2-CB 4.44Å; Y137-P141 HydrophobicContact CE2-CB 3.94Å; Y137-P141 WeakPolarHBondContact O-CA 3.13Å; Y137-P141 WeakPolarHBondContact O-CB 2.99Å; Y137-P141 WeakPolarHBondContact O-CD 3.49Å; P141-F143 PolarHBondContact O-N 3.03Å; P141-C144 PolarHBondContact O-N 2.94Å; P141-C144 VanDerWaalsContact O-N 3.11Å
142E93.7Very high79.8Confident116 Ų11674.6 Ų74.654%0.54240%0.398SS..G310 helixtrans-68.3-17.7178.376.8-77.1-17100113.8K20 Y140K20-E142 IonicContact NZ-OE1 2.68Å; Y140-E142 WeakPolarHBondContact CA-OE2 3.13Å; Y140-E142 PolarHBondContact O-N 3.39Å; Y140-E142 VanDerWaalsContact O-N 3.16Å
143F93.8Very high76.7Confident31 Ų3183.4 Ų83.414%0.13644%0.437CS..G310 helixtrans-946.1174.6-75.1-91.4000112.8K20 L23 K24 R47 F136 Y140 P141K20-F143 HydrophobicContact CD-CE2 4.48Å; K20-F143 HydrophobicContact CG-CD2 4.29Å; K20-F143 HydrophobicContact CG-CE2 3.97Å; K20-F143 HydrophobicContact CG-CZ 4.15Å; L23-F143 HydrophobicContact CB-CD1 4.01Å; L23-F143 HydrophobicContact CB-CE1 4.2Å; L23-F143 HydrophobicContact CD1-CB 4.39Å; L23-F143 HydrophobicContact CD1-CD1 4.03Å; K24-F143 HydrophobicContact CD-CZ 4.25Å; K24-F143 VanDerWaalsContact CE-CZ 3.5Å; K24-F143 HydrophobicContact CG-CE1 3.87Å; K24-F143 HydrophobicContact CG-CZ 3.77Å; R47-F143 VanDerWaalsContact CB-O 3.26Å; R47-F143 WeakPolarHBondContact CB-O 3.29Å; R47-F143 PolarHBondContact N-O 3.27Å; F136-F143 HydrophobicContact CE1-CB 3.8Å; F136-F143 HydrophobicContact CZ-CB 4.09Å; Y140-F143 PolarHBondContact O-N 3.1Å; Y140-F143 VanDerWaalsContact O-N 3.07Å; P141-F143 PolarHBondContact O-N 3.03Å
144C94Very high73.5Confident16 Ų1688.3 Ų88.311%0.10847%0.468CS..EExtended strand (participates in β ladder)trans-112.9139.1178.7-59.20000110.9H45 Y133 Y137 P141H45-C144 CarbonylContact O-C 3.49Å; H45-C144 VanDerWaalsContact O-CA 3.28Å; H45-C144 WeakPolarHBondContact O-CA 3.49Å; Y133-C144 HydrophobicContact CE2-CB 4.4Å; Y137-C144 HydrophobicContact CD2-CB 3.72Å; Y137-C144 HydrophobicContact CE2-CB 4.18Å; P141-C144 PolarHBondContact O-N 2.94Å; P141-C144 VanDerWaalsContact O-N 3.11Å
145L90.1Very high70.6Confident88 Ų8890.8 Ų90.846%0.46149%0.491SS..EExtended strand (participates in β ladder)trans-87.3129.8167.5-62.5179.2000108.3G44 H45 R47G44-L145 CarbonylContact C-O 3.47Å; G44-L145 WeakPolarHBondContact CA-O 3.46Å; H45-L145 PolarHBondContact N-O 2.79Å; H45-L145 PolarHBondContact O-N 2.91Å; R47-L145 HydrophobicContact CB-CG 4.32Å; R47-L145 HydrophobicContact CG-CG 4.44Å
146K81.5Confident67.4Low110 Ų11094.2 Ų94.248%0.47851%0.511SS..EExtended strand (participates in β ladder)trans-119.3135.6167.7-80.5-173.2162-1780108.7Y137 K148Y137-K146 HydrophobicContact CE2-CD 3.84Å; Y137-K146 HydrophobicContact CE2-CG 4.33Å; Y137-K146 WeakPolarHBondContact OH-CE 3.34Å; Y137-K146 PolarHBondContact OH-NZ 3.31Å; K146-K148 PolarHBondContact O-N 2.79Å; K146-K148 VanDerWaalsContact O-N 3.17Å
147N65.1Low64.6Low49 Ų4999.5 Ų99.526%0.26255%0.549SS..  trans-65.4118.4163.7-95.320.5000107.2A43 S149 E177A43-N147 PolarHBondContact O-N 3.22Å; N147-S149 VanDerWaalsContact C-N 3.3Å; N147-S149 PolarHBondContact O-N 3.02Å; N147-E177 PolarHBondContact ND2-OE1 3.21Å
148K49.7Very low61.5Low185 Ų185101.8 Ų101.880%0.80458%0.575SS**  trans-64.491.3178.3-72.6-179.3179.2177.30108.9K146 L150K146-K148 PolarHBondContact O-N 2.79Å; K146-K148 VanDerWaalsContact O-N 3.17Å; K148-L150 PolarHBondContact O-N 3.41Å
149S43.9Very low59.1Low111 Ų111105.3 Ų105.378%0.77658%0.581SS**  trans-67113140.653.70000106N147N147-S149 VanDerWaalsContact C-N 3.3Å; N147-S149 PolarHBondContact O-N 3.02Å
150L35.1Very low55.9Low145 Ų145109.8 Ų109.876%0.75961%0.607SS**  trans-53.6157.2172.4-12281.2000110.4K148K148-L150 PolarHBondContact O-N 3.41Å
151P33.8Very low53.3Low91 Ų91113.3 Ų113.359%0.59164%0.636SS**  trans-66.5153.5-149.46.215.5000111.3F153P151-F153 PolarHBondContact O-N 3.25Å
152S30.8Very low50.2Low117 Ų117116.6 Ų116.682%0.81866%0.66SS**  trans-48.2106.7159.6-172.40000108.5T154S152-T154 PolarHBondContact O-N 3.28Å
153F31.9Very low47.9Very low185 Ų185116.4 Ų116.481%0.81167%0.671SS**  trans-64.1104.6174.1-91.9-90.5000107.7P151 S155P151-F153 PolarHBondContact O-N 3.25Å; F153-S155 PolarHBondContact O-N 3Å
154T29.6Very low45.6Very low118 Ų118120.2 Ų120.272%0.72470%0.701SS**  trans-58.4123.8155.733.60000107.9S152 Q156S152-T154 PolarHBondContact O-N 3.28Å; T154-Q156 PolarHBondContact O-N 2.87Å; T154-Q156 VanDerWaalsContact O-N 3.11Å
155S35.7Very low43Very low118 Ų118124.8 Ų124.883%0.82573%0.732SS**  trans-51.1110.6175-20.40000110.2F153F153-S155 PolarHBondContact O-N 3Å
156Q30.5Very low40.5Very low183 Ų183124.8 Ų124.886%0.85575%0.753SS**  trans-131.998.6157.1-104.5163.7-5.700108.2T154T154-Q156 PolarHBondContact O-N 2.87Å; T154-Q156 VanDerWaalsContact O-N 3.11Å
157S37.3Very low38.7Very low112 Ų112123.2 Ų123.278%0.78375%0.753SS**  trans-54125.8165.648.20000110.6
158S31.7Very low37.9Very low119 Ų119124.9 Ų124.983%0.83277%0.767SS**  trans-145.6110.5148.7-64.50000106.9
159I44.6Very low38Very low154 Ų154122.7 Ų122.779%0.7976%0.759SS**  trans-61.3128174-68.1158.4000107.2
160D30.3Very low38.5Very low169 Ų169121.6 Ų121.690%0.90474%0.744SS**  trans-149.1122.5139.2-91.2-31000110.1
161S41.6Very low39.8Very low104 Ų104115.4 Ų115.473%0.72771%0.712SS**  trans-88.4127.6-172.21770000110.2
162C28.6Very low41.2Very low128 Ų128117.4 Ų117.487%0.86571%0.713SS**  trans-145.5102.8152.1-170.10000109.8S164C162-S164 PolarHBondContact O-N 3.1Å
163S46.8Very low43.2Very low112 Ų112114 Ų11478%0.78370%0.697SS**  trans-75107.2175.7-58.80000111.1
164S44.4Very low45.9Very low110 Ų110106.8 Ų106.877%0.76968%0.675SS**SBendtrans-177.190.4147-1780000111.2C162C162-S164 PolarHBondContact O-N 3.1Å
165C39Very low49Very low113 Ų113101.8 Ų101.876%0.76464%0.644SS**  trans140.1102.1158.570.40000110.2T167C165-T167 PolarHBondContact O-N 2.88Å
166G38.9Very low51.8Low87 Ų8797.6 Ų97.690%0.89761%0.614SS**  trans-7379.2-171.200000114.2
167T43.9Very low54.9Low77 Ų7791.5 Ų91.547%0.47259%0.585SS.*  trans-74.1127161.945.10000109.5C165 H169 L188C165-T167 PolarHBondContact O-N 2.88Å; T167-H169 PolarHBondContact O-N 3.34Å; T167-L188 HydrophobicContact CG2-CD2 3.86Å
168P48.1Very low57.7Low85 Ų8586.2 Ų86.255%0.55255%0.548SS*.  trans-54.2138.2171.3-21.631.4000110.2N170 D171P168-N170 PolarHBondContact O-N 2.85Å; P168-D171 PolarHBondContact O-N 3.48Å; P168-D171 VanDerWaalsContact O-N 3.08Å
169H51.9Low60.7Low139 Ų13980.7 Ų80.764%0.64451%0.509SS*.G310 helixtrans-53.8-15.7-177.4-158.9-62000114.1T167 Q172T167-H169 PolarHBondContact O-N 3.34Å; H169-Q172 PolarHBondContact CE1-OE1 3.12Å; H169-Q172 PolarHBondContact ND1-OE1 3.42Å
170N53.7Low63Low87 Ų8777 Ų7747%0.46550%0.495SS..G310 helixtrans-83.8-7.6-177.1-57.6-28.7000114.8P168 I295P168-N170 PolarHBondContact O-N 2.85Å; N170-I295 HydrophobicContact CB-CD1 3.72Å; N170-I295 HydrophobicContact CB-CG2 3.95Å; N170-I295 VanDerWaalsContact CG-CG2 3.49Å; N170-I295 VanDerWaalsContact ND2-CG2 3.34Å; N170-I295 WeakPolarHBondContact ND2-CG2 3.43Å
171D62.8Low66.2Low15 Ų1570.2 Ų70.28%0.0846%0.458CS..G310 helixtrans-110.116.8179.5-81.42.1000112.6P168 G173 S186 L188 H189 R293P168-D171 PolarHBondContact O-N 3.48Å; P168-D171 VanDerWaalsContact O-N 3.08Å; D171-G173 PolarHBondContact O-N 3.08Å; D171-S186 VanDerWaalsContact CG-OG 3.28Å; D171-S186 VanDerWaalsContact OD2-CB 3.26Å; D171-S186 WeakPolarHBondContact OD2-CB 3.23Å; D171-S186 PolarHBondContact OD2-OG 3.24Å; D171-L188 HydrophobicContact CB-CD2 3.95Å; D171-H189 IonicContact OD1-CE1 3.41Å; D171-H189 IonicContact OD1-NE2 2.74Å; D171-R293 IonicContact OD1-CZ 3.53Å; D171-R293 IonicContact OD1-NH1 3.08Å; D171-R293 IonicContact OD1-NH2 3.87Å; D171-R293 PolarHBondContact OD1-NH2 2.87Å
172Q62.8Low68.9Low133 Ų13365.2 Ų65.262%0.62142%0.423SS*.SBendtrans-69.8-12.1173.4-78.5171.54.900113.2H169H169-Q172 PolarHBondContact CE1-OE1 3.12Å; H169-Q172 PolarHBondContact ND1-OE1 3.42Å
173G73.6Confident72.2Confident45 Ų4559.8 Ų59.846%0.46438%0.384SS..SBendtrans-98.4-172176.200000114.6D171 H189D171-G173 PolarHBondContact O-N 3.08Å; G173-H189 PolarHBondContact O-CD2 2.69Å; G173-H189 PolarHBondContact O-NE2 2.79Å; G173-H189 VanDerWaalsContact O-NE2 3.17Å
174G87.2Confident74.7Confident34 Ų3454.4 Ų54.435%0.35135%0.347SS..  trans-87.8178.4166.200000112.3
175P94.7Very high77.2Confident13 Ų1349.2 Ų49.28%0.08431%0.31CS..  trans-58.9145.9169.328.5-33.6000110.4H189 V195 L256P175-H189 HydrophobicContact CB-CB 4.18Å; P175-H189 HydrophobicContact CG-CB 4.49Å; P175-V195 HydrophobicContact CG-CG1 4.43Å; P175-L256 HydrophobicContact CB-CD1 3.6Å; P175-L256 HydrophobicContact CB-CD2 4.48Å; P175-L256 HydrophobicContact CG-CD1 4.46Å
176V94.9Very high80Confident30 Ų3043.8 Ų43.818%0.18227%0.274CS..EExtended strand (participates in β ladder)trans-91.9137.8-176.6-59.60000111I178 Y183 L184 R293V176-I178 HydrophobicContact CG2-CD1 3.86Å; V176-I178 PolarHBondContact O-N 2.81Å; V176-Y183 CarbonylContact O-C 3.31Å; V176-Y183 VanDerWaalsContact O-CA 3.23Å; V176-Y183 WeakPolarHBondContact O-CA 3.24Å; V176-L184 HydrophobicContact CG2-CB 3.89Å; V176-L184 HydrophobicContact CG2-CG 4.43Å; V176-L184 WeakPolarHBondContact CG2-O 3.42Å; V176-L184 PolarHBondContact N-O 2.97Å; V176-L184 PolarHBondContact O-N 3.35Å; V176-R293 HydrophobicContact CG1-CB 4.36Å; V176-R293 HydrophobicContact CG2-CB 3.84Å
177E95.8Very high82.7Confident56 Ų5640.2 Ų40.226%0.26224%0.236SC..EExtended strand (participates in β ladder)trans-77.2115.8174.7-168.7-179.5136.600110.6N147 L179 P180 Y183 R292N147-E177 PolarHBondContact ND2-OE1 3.21Å; E177-L179 VanDerWaalsContact CG-O 3.24Å; E177-L179 WeakPolarHBondContact CG-O 3.35Å; E177-P180 WeakPolarHBondContact OE1-CA 3.5Å; E177-Y183 HydrophobicContact CB-CD1 3.96Å; E177-Y183 HydrophobicContact CB-CE1 3.43Å; E177-Y183 VanDerWaalsContact CB-CE1 3.43Å; E177-Y183 HydrophobicContact CG-CD1 4.43Å; E177-Y183 HydrophobicContact CG-CE1 3.77Å; E177-Y183 HydrophobicContact CG-CE2 4.21Å; E177-Y183 PolarHBondContact OE2-OH 3.39Å; E177-R292 WeakPolarHBondContact O-CD 3.41Å; E177-R292 PolarHBondContact O-NE 3.39Å
178I96.1Very high85.2Confident0 Ų039.2 Ų39.20%023%0.228CC..EExtended strand (participates in β ladder)trans-88.4-48.7173.1-55.1-53.4000109.9V176 L182 L184 L274 F288 V289 R292V176-I178 HydrophobicContact CG2-CD1 3.86Å; V176-I178 PolarHBondContact O-N 2.81Å; I178-L182 WeakPolarHBondContact CA-O 3.46Å; I178-L182 HydrophobicContact CB-CD2 4.42Å; I178-L182 HydrophobicContact CB-CG 4.28Å; I178-L182 WeakPolarHBondContact CB-O 3.18Å; I178-L182 HydrophobicContact CG2-CD2 4.36Å; I178-L182 PolarHBondContact N-O 3.41Å; I178-L184 HydrophobicContact CD1-CB 4.03Å; I178-L184 HydrophobicContact CD1-CD2 4.33Å; I178-L184 HydrophobicContact CG1-CB 3.77Å; I178-L274 HydrophobicContact CG2-CD1 4.21Å; I178-F288 HydrophobicContact CG2-CD1 4.3Å; I178-F288 HydrophobicContact CG2-CE1 3.85Å; I178-F288 VanDerWaalsContact O-CE1 3.27Å; I178-F288 WeakPolarHBondContact O-CE1 3.47Å; I178-F288 WeakPolarHBondContact O-CZ 3.32Å; I178-V289 HydrophobicContact CD1-CG1 3.96Å; I178-V289 HydrophobicContact CD1-CG2 4.46Å; I178-V289 HydrophobicContact CG2-CG2 4.18Å; I178-R292 HydrophobicContact CD1-CB 4.19Å
179L94.7Very high87.4Confident3 Ų335.2 Ų35.22%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-133.6164.9170.7-59.1173.2000108.3F38 E177 F181 L182 Y273 L274 F288F38-L179 HydrophobicContact CE1-CD2 3.85Å; F38-L179 HydrophobicContact CZ-CD2 3.87Å; E177-L179 VanDerWaalsContact CG-O 3.24Å; E177-L179 WeakPolarHBondContact CG-O 3.35Å; L179-F181 HydrophobicContact CB-CD1 4.47Å; L179-F181 HydrophobicContact CB-CE1 4.12Å; L179-F181 HydrophobicContact CB-CZ 4.24Å; L179-F181 HydrophobicContact CD1-CE1 4.17Å; L179-F181 HydrophobicContact CD1-CE2 4.33Å; L179-F181 HydrophobicContact CD1-CZ 3.66Å; L179-F181 PolarHBondContact O-N 3.4Å; L179-L182 HydrophobicContact CB-CB 4.03Å; L179-L182 HydrophobicContact CD1-CD2 4.35Å; L179-L182 PolarHBondContact N-O 3.16Å; L179-L182 VanDerWaalsContact N-O 3.08Å; L179-L182 PolarHBondContact O-N 2.69Å; L179-L182 VanDerWaalsContact O-O 3.09Å; L179-Y273 HydrophobicContact CD1-CD1 4.31Å; L179-Y273 HydrophobicContact CD1-CE1 3.8Å; L179-L274 HydrophobicContact CD1-CD2 4.03Å; L179-L274 HydrophobicContact CD2-CD2 4.31Å; L179-L274 HydrophobicContact CG-CD2 4.3Å; L179-F288 HydrophobicContact CD2-CE1 4.46Å; L179-F288 HydrophobicContact CD2-CZ 4.38Å
180P93.4Very high89.6Confident77 Ų7728.7 Ų28.750%0.517%0.172SC..THydrogen-bonded Turntrans-51.8-25.4-178.1-31.337.3000115.7E177 R254E177-P180 WeakPolarHBondContact OE1-CA 3.5Å; P180-R254 WeakPolarHBondContact O-CD 3.23Å
181F97.3Very high91.6Very high26 Ų2626.5 Ų26.511%0.11416%0.163CC..THydrogen-bonded Turntrans-112.4-2.317861.8-92.3000114.3L179 I245 R249 G253 R254 V255 Y273L179-F181 HydrophobicContact CB-CD1 4.47Å; L179-F181 HydrophobicContact CB-CE1 4.12Å; L179-F181 HydrophobicContact CB-CZ 4.24Å; L179-F181 HydrophobicContact CD1-CE1 4.17Å; L179-F181 HydrophobicContact CD1-CE2 4.33Å; L179-F181 HydrophobicContact CD1-CZ 3.66Å; L179-F181 PolarHBondContact O-N 3.4Å; F181-I245 HydrophobicContact CD2-CG2 4.22Å; F181-I245 HydrophobicContact CE2-CG2 3.84Å; F181-R249 HydrophobicContact CD1-CB 4.36Å; F181-R249 HydrophobicContact CD1-CG 3.78Å; F181-R249 HydrophobicContact CD2-CB 3.8Å; F181-R249 HydrophobicContact CD2-CG 4.12Å; F181-R249 HydrophobicContact CE1-CG 3.92Å; F181-R249 HydrophobicContact CE2-CB 4.1Å; F181-R249 HydrophobicContact CE2-CG 4.27Å; F181-R249 HydrophobicContact CG-CB 3.97Å; F181-R249 HydrophobicContact CG-CG 3.89Å; F181-R249 HydrophobicContact CZ-CB 4.49Å; F181-R249 HydrophobicContact CZ-CG 4.18Å; F181-G253 WeakPolarHBondContact CB-O 3.32Å; F181-R254 CarbonylContact O-C 3.57Å; F181-R254 WeakPolarHBondContact O-CA 3.46Å; F181-V255 WeakPolarHBondContact O-CG1 3.48Å; F181-V255 PolarHBondContact O-N 2.88Å; F181-Y273 AromaticContact CE2-CE1 3.8Å; F181-Y273 HydrophobicContact CE2-CE1 3.8Å; F181-Y273 AromaticContact CE2-CZ 3.68Å; F181-Y273 WeakPolarHBondContact CE2-OH 3.41Å; F181-Y273 AromaticContact CZ-CE1 3.84Å; F181-Y273 HydrophobicContact CZ-CE1 3.84Å; F181-Y273 AromaticContact CZ-CZ 3.88Å; F181-Y273 WeakPolarHBondContact CZ-OH 3.39Å
182L98.4Very high93.2Very high0 Ų028.7 Ų28.70%017%0.172CC..EExtended strand (participates in β ladder)trans-126114.8-172.317762.1000110.7I178 L179 I245 V255 V257 Y273I178-L182 WeakPolarHBondContact CA-O 3.46Å; I178-L182 HydrophobicContact CB-CD2 4.42Å; I178-L182 HydrophobicContact CB-CG 4.28Å; I178-L182 WeakPolarHBondContact CB-O 3.18Å; I178-L182 HydrophobicContact CG2-CD2 4.36Å; I178-L182 PolarHBondContact N-O 3.41Å; L179-L182 HydrophobicContact CB-CB 4.03Å; L179-L182 HydrophobicContact CD1-CD2 4.35Å; L179-L182 PolarHBondContact N-O 3.16Å; L179-L182 VanDerWaalsContact N-O 3.08Å; L179-L182 PolarHBondContact O-N 2.69Å; L179-L182 VanDerWaalsContact O-O 3.09Å; L182-I245 HydrophobicContact CD1-CD1 4.14Å; L182-I245 HydrophobicContact CD1-CG1 4.41Å; L182-I245 HydrophobicContact CD1-CG2 4.22Å; L182-V255 HydrophobicContact CD1-CG1 3.9Å; L182-V257 HydrophobicContact CD1-CG2 3.5Å; L182-Y273 HydrophobicContact CD2-CD1 3.63Å; L182-Y273 HydrophobicContact CD2-CE1 4.1Å; L182-Y273 HydrophobicContact CD2-CG 4.25Å
183Y98.6Very high94.8Very high13 Ų1325.5 Ų25.55%0.05116%0.156CC..EExtended strand (participates in β ladder)trans-112.5148.4178.3-70-101.2000111.2V176 E177 V199 I201 R254 V255 V257V176-Y183 CarbonylContact O-C 3.31Å; V176-Y183 VanDerWaalsContact O-CA 3.23Å; V176-Y183 WeakPolarHBondContact O-CA 3.24Å; E177-Y183 HydrophobicContact CB-CD1 3.96Å; E177-Y183 HydrophobicContact CB-CE1 3.43Å; E177-Y183 VanDerWaalsContact CB-CE1 3.43Å; E177-Y183 HydrophobicContact CG-CD1 4.43Å; E177-Y183 HydrophobicContact CG-CE1 3.77Å; E177-Y183 HydrophobicContact CG-CE2 4.21Å; E177-Y183 PolarHBondContact OE2-OH 3.39Å; Y183-V199 HydrophobicContact CD1-CG1 3.85Å; Y183-V199 HydrophobicContact CD2-CG1 4.45Å; Y183-V199 HydrophobicContact CE1-CG1 3.25Å; Y183-V199 HydrophobicContact CE2-CG1 3.94Å; Y183-V199 HydrophobicContact CG-CG1 4.42Å; Y183-I201 HydrophobicContact CD2-CD1 3.6Å; Y183-I201 HydrophobicContact CE2-CD1 4.2Å; Y183-I201 HydrophobicContact CG-CD1 3.91Å; Y183-R254 HydrophobicContact CE2-CB 4.28Å; Y183-V255 PolarHBondContact N-O 3.41Å; Y183-V257 PolarHBondContact O-N 2.87Å
184L98.4Very high95.8Very high0 Ų030.1 Ų30.10%017%0.165CC..EExtended strand (participates in β ladder)trans-118.5131.5176.9172.263.4000110.3V176 I178 V257 S266 A267 V289 I296V176-L184 HydrophobicContact CG2-CB 3.89Å; V176-L184 HydrophobicContact CG2-CG 4.43Å; V176-L184 WeakPolarHBondContact CG2-O 3.42Å; V176-L184 PolarHBondContact N-O 2.97Å; V176-L184 PolarHBondContact O-N 3.35Å; I178-L184 HydrophobicContact CD1-CB 4.03Å; I178-L184 HydrophobicContact CD1-CD2 4.33Å; I178-L184 HydrophobicContact CG1-CB 3.77Å; L184-V257 WeakPolarHBondContact CA-O 3.45Å; L184-S266 VanDerWaalsContact CD1-OG 3.25Å; L184-S266 WeakPolarHBondContact CD1-OG 3.46Å; L184-A267 HydrophobicContact CD2-CB 4.27Å; L184-V289 HydrophobicContact CD2-CG1 3.71Å; L184-I296 HydrophobicContact CD2-CG2 3.82Å
185G97.1Very high96.2Very high0 Ų030.4 Ų30.40%016%0.16CC..EExtended strand (participates in β ladder)trans-156.5-176.3179.400000115.8H189 V257 H258 G262G185-H189 WeakPolarHBondContact CA-ND1 2.98Å; G185-V257 PolarHBondContact N-O 2.8Å; G185-V257 VanDerWaalsContact N-O 3.07Å; G185-H258 VanDerWaalsContact O-CA 3.3Å; G185-H258 WeakPolarHBondContact O-CA 3.48Å; G185-H258 WeakPolarHBondContact O-CB 3.4Å; G185-G262 WeakPolarHBondContact O-CA 3.15Å
186S96.9Very high96.3Very high0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-101.7175.4174.268.30000110.9D171 L188 H189 A190 C259 Q260 A261D171-S186 VanDerWaalsContact CG-OG 3.28Å; D171-S186 VanDerWaalsContact OD2-CB 3.26Å; D171-S186 WeakPolarHBondContact OD2-CB 3.23Å; D171-S186 PolarHBondContact OD2-OG 3.24Å; S186-L188 PolarHBondContact O-N 2.87Å; S186-L188 PolarHBondContact OG-N 3.05Å; S186-H189 PolarHBondContact N-ND1 3Å; S186-H189 PolarHBondContact O-N 3.42Å; S186-H189 VanDerWaalsContact O-N 3.09Å; S186-A190 PolarHBondContact O-N 3Å; S186-A190 VanDerWaalsContact O-N 3.15Å; S186-C259 CarbonylContact C-O 3.16Å; S186-C259 VanDerWaalsContact C-O 3.31Å; S186-C259 WeakPolarHBondContact CA-O 3.33Å; S186-Q260 WeakPolarHBondContact CB-O 3.42Å; S186-A261 VanDerWaalsContact CB-C 3.48Å
187A96.8Very high96.4Very high12 Ų1232.5 Ų32.510%0.09917%0.17CC..Hα-helixtrans-61.3-32.317500000111.5H189 A190 S191 C211 C259 Q260A187-H189 VanDerWaalsContact C-N 3.33Å; A187-H189 PolarHBondContact O-N 2.75Å; A187-A190 PolarHBondContact O-N 3.09Å; A187-S191 PolarHBondContact O-N 2.81Å; A187-S191 VanDerWaalsContact O-N 3.08Å; A187-C211 HydrophobicContact CB-CB 4.31Å; A187-C259 PolarHBondContact N-O 3.11Å; A187-Q260 PolarHBondContact N-O 3.33Å
188L95.4Very high96.3Very high56 Ų5634.3 Ų34.329%0.29319%0.188SC..Hα-helixtrans-65-35.9174.6-175.765.3000112.2T167 D171 S186 S191 K192T167-L188 HydrophobicContact CG2-CD2 3.86Å; D171-L188 HydrophobicContact CB-CD2 3.95Å; S186-L188 PolarHBondContact O-N 2.87Å; S186-L188 PolarHBondContact OG-N 3.05Å; L188-S191 PolarHBondContact O-N 3.09Å; L188-S191 PolarHBondContact O-OG 3.19Å; L188-K192 WeakPolarHBondContact O-CG 3.47Å
189H95.9Very high96.2Very high1 Ų135.9 Ų35.91%0.00520%0.198CC..Hα-helixtrans-69.4-38.6174.4-59.4150.2000111.4D171 G173 P175 G185 S186 A187 S191 K192D171-H189 IonicContact OD1-CE1 3.41Å; D171-H189 IonicContact OD1-NE2 2.74Å; G173-H189 PolarHBondContact O-CD2 2.69Å; G173-H189 PolarHBondContact O-NE2 2.79Å; G173-H189 VanDerWaalsContact O-NE2 3.17Å; P175-H189 HydrophobicContact CB-CB 4.18Å; P175-H189 HydrophobicContact CG-CB 4.49Å; G185-H189 WeakPolarHBondContact CA-ND1 2.98Å; S186-H189 PolarHBondContact N-ND1 3Å; S186-H189 PolarHBondContact O-N 3.42Å; S186-H189 VanDerWaalsContact O-N 3.09Å; A187-H189 VanDerWaalsContact C-N 3.33Å; A187-H189 PolarHBondContact O-N 2.75Å; H189-S191 PolarHBondContact O-N 3.31Å; H189-K192 PolarHBondContact O-N 3.44Å
190A97.3Very high96.3Very high2 Ų237 Ų372%0.01721%0.21CC..Hα-helixtrans-68.8-17.4178.100000113.8S186 A187 L204 F215 L256 H258S186-A190 PolarHBondContact O-N 3Å; S186-A190 VanDerWaalsContact O-N 3.15Å; A187-A190 PolarHBondContact O-N 3.09Å; A190-L204 HydrophobicContact CB-CD2 3.86Å; A190-F215 WeakPolarHBondContact O-CE2 3.44Å; A190-L256 HydrophobicContact CB-CD2 4.18Å; A190-H258 HydrophobicContact CB-CB 4.45Å
191S96.3Very high96.6Very high40 Ų4033.7 Ų33.728%0.2819%0.188SC..THydrogen-bonded Turntrans-92.1-2.4178.273.40000114.6A187 L188 H189 H214 F215A187-S191 PolarHBondContact O-N 2.81Å; A187-S191 VanDerWaalsContact O-N 3.08Å; L188-S191 PolarHBondContact O-N 3.09Å; L188-S191 PolarHBondContact O-OG 3.19Å; H189-S191 PolarHBondContact O-N 3.31Å; S191-H214 VanDerWaalsContact CB-CD2 3.41Å; S191-H214 WeakPolarHBondContact CB-CD2 3.43Å; S191-H214 WeakPolarHBondContact CB-NE2 3.24Å; S191-F215 VanDerWaalsContact O-CZ 3.3Å; S191-F215 WeakPolarHBondContact O-CZ 3.16Å
192K95.8Very high96.6Very high62 Ų6234.8 Ų34.827%0.2720%0.199SC..  trans-102.186.9-177.3-69.6174.3-177.6176.20111.4L188 H189 E194 V195 L196L188-K192 WeakPolarHBondContact O-CG 3.47Å; H189-K192 PolarHBondContact O-N 3.44Å; K192-E194 VanDerWaalsContact C-N 3.3Å; K192-E194 PolarHBondContact O-N 3.39Å; K192-V195 HydrophobicContact CB-CB 3.97Å; K192-V195 HydrophobicContact CB-CG2 3.88Å; K192-V195 HydrophobicContact CD-CG2 4.16Å; K192-V195 PolarHBondContact O-N 2.87Å; K192-V195 VanDerWaalsContact O-N 3.1Å; K192-L196 WeakPolarHBondContact O-CG 3.32Å; K192-L196 PolarHBondContact O-N 3.24Å
193K96.3Very high96.6Very high65 Ų6534.8 Ų34.828%0.28320%0.199SC..Hα-helixtrans-54.1-44.5-175-174.5161.3-179.6154.70112.9V195 L196 D197 F215 T218 Y219K193-V195 VanDerWaalsContact C-N 3.26Å; K193-V195 PolarHBondContact O-N 2.68Å; K193-L196 WeakPolarHBondContact O-CB 3.29Å; K193-L196 PolarHBondContact O-N 2.86Å; K193-L196 VanDerWaalsContact O-N 3.13Å; K193-D197 WeakPolarHBondContact CG-OD2 2.96Å; K193-D197 WeakPolarHBondContact O-CB 3.45Å; K193-D197 PolarHBondContact O-N 3.08Å; K193-F215 HydrophobicContact CB-CD1 4.4Å; K193-F215 HydrophobicContact CB-CD2 4.49Å; K193-F215 HydrophobicContact CB-CE1 3.81Å; K193-F215 HydrophobicContact CB-CE2 3.9Å; K193-F215 HydrophobicContact CB-CZ 3.54Å; K193-F215 HydrophobicContact CD-CD1 4.05Å; K193-F215 HydrophobicContact CD-CE1 4.1Å; K193-F215 HydrophobicContact CG-CE1 4.43Å; K193-F215 HydrophobicContact CG-CZ 4.49Å; K193-T218 PolarHBondContact NZ-OG1 3.31Å; K193-Y219 PolarHBondContact O-OH 3.03Å
194E95.4Very high96.6Very high142 Ų14234.2 Ų34.266%0.66420%0.197SC*.Hα-helixtrans-63.5-35.3-177.2-5872.3-157.800111.6K192 S198K192-E194 VanDerWaalsContact C-N 3.3Å; K192-E194 PolarHBondContact O-N 3.39Å; E194-S198 VanDerWaalsContact O-CB 3.28Å; E194-S198 WeakPolarHBondContact O-CB 3.32Å; E194-S198 PolarHBondContact O-N 2.98Å; E194-S198 PolarHBondContact O-OG 3.12Å
195V94.9Very high96.7Very high41 Ų4134.2 Ų34.225%0.24820%0.197CC..Hα-helixtrans-71.8-43.2175.7179.60000110.4P175 K192 K193 D197 S198 V199P175-V195 HydrophobicContact CG-CG1 4.43Å; K192-V195 HydrophobicContact CB-CB 3.97Å; K192-V195 HydrophobicContact CB-CG2 3.88Å; K192-V195 HydrophobicContact CD-CG2 4.16Å; K192-V195 PolarHBondContact O-N 2.87Å; K192-V195 VanDerWaalsContact O-N 3.1Å; K193-V195 VanDerWaalsContact C-N 3.26Å; K193-V195 PolarHBondContact O-N 2.68Å; V195-D197 PolarHBondContact O-N 2.98Å; V195-S198 WeakPolarHBondContact CA-OG 3.42Å; V195-S198 PolarHBondContact O-N 3.08Å; V195-S198 PolarHBondContact O-OG 3.09Å; V195-V199 HydrophobicContact CG1-CG2 4.48Å; V195-V199 WeakPolarHBondContact O-CB 3.49Å; V195-V199 VanDerWaalsContact O-CG2 3.29Å; V195-V199 WeakPolarHBondContact O-CG2 3.41Å; V195-V199 PolarHBondContact O-N 2.98Å
196L96.9Very high96.7Very high0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-60.4-45.3176.2-63.1177.1000111.4K192 K193 V199 G200 I201 L204 F215 Y219 L256K192-L196 WeakPolarHBondContact O-CG 3.32Å; K192-L196 PolarHBondContact O-N 3.24Å; K193-L196 WeakPolarHBondContact O-CB 3.29Å; K193-L196 PolarHBondContact O-N 2.86Å; K193-L196 VanDerWaalsContact O-N 3.13Å; L196-V199 CarbonylContact O-C 3.57Å; L196-V199 PolarHBondContact O-N 2.88Å; L196-G200 PolarHBondContact O-N 3.21Å; L196-I201 HydrophobicContact CB-CB 4.2Å; L196-I201 HydrophobicContact CB-CG1 4.45Å; L196-I201 HydrophobicContact CD2-CB 4.24Å; L196-I201 HydrophobicContact CD2-CG1 3.97Å; L196-I201 HydrophobicContact CD2-CG2 4.31Å; L196-I201 PolarHBondContact O-N 2.55Å; L196-L204 HydrophobicContact CD1-CD1 4.47Å; L196-L204 HydrophobicContact CD1-CD2 4.15Å; L196-F215 HydrophobicContact CD1-CD2 3.95Å; L196-F215 HydrophobicContact CD1-CE2 4.05Å; L196-Y219 HydrophobicContact CB-CE1 4.23Å; L196-Y219 VanDerWaalsContact CB-OH 3.25Å; L196-Y219 WeakPolarHBondContact CB-OH 3.41Å; L196-Y219 HydrophobicContact CD1-CE2 3.98Å; L196-L256 HydrophobicContact CD2-CD2 3.54Å
197D96.3Very high96.8Very high86 Ų8634.3 Ų34.346%0.4620%0.198SC..Hα-helixtrans-66.2-44.8178.7-72.8-29.5000111.9K193 V195 V199 G200 Y219K193-D197 WeakPolarHBondContact CG-OD2 2.96Å; K193-D197 WeakPolarHBondContact O-CB 3.45Å; K193-D197 PolarHBondContact O-N 3.08Å; V195-D197 PolarHBondContact O-N 2.98Å; D197-V199 VanDerWaalsContact C-N 3.29Å; D197-V199 PolarHBondContact O-N 3.14Å; D197-G200 VanDerWaalsContact O-CA 3.31Å; D197-G200 WeakPolarHBondContact O-CA 3.25Å; D197-G200 PolarHBondContact O-N 2.81Å; D197-Y219 PolarHBondContact OD1-OH 3.48Å
198S95Very high96.7Very high94 Ų9434 Ų3466%0.65720%0.195SC*.Hα-helixtrans-65.4-32.8179.5630000113.1E194 V195E194-S198 VanDerWaalsContact O-CB 3.28Å; E194-S198 WeakPolarHBondContact O-CB 3.32Å; E194-S198 PolarHBondContact O-N 2.98Å; E194-S198 PolarHBondContact O-OG 3.12Å; V195-S198 WeakPolarHBondContact CA-OG 3.42Å; V195-S198 PolarHBondContact O-N 3.08Å; V195-S198 PolarHBondContact O-OG 3.09Å
199V94.2Very high96.5Very high34 Ų3433.7 Ų33.721%0.20620%0.2CC..THydrogen-bonded Turntrans-85.90.5172-176.10000111.1Y183 V195 L196 D197 I201 R254Y183-V199 HydrophobicContact CD1-CG1 3.85Å; Y183-V199 HydrophobicContact CD2-CG1 4.45Å; Y183-V199 HydrophobicContact CE1-CG1 3.25Å; Y183-V199 HydrophobicContact CE2-CG1 3.94Å; Y183-V199 HydrophobicContact CG-CG1 4.42Å; V195-V199 HydrophobicContact CG1-CG2 4.48Å; V195-V199 WeakPolarHBondContact O-CB 3.49Å; V195-V199 VanDerWaalsContact O-CG2 3.29Å; V195-V199 WeakPolarHBondContact O-CG2 3.41Å; V195-V199 PolarHBondContact O-N 2.98Å; L196-V199 CarbonylContact O-C 3.57Å; L196-V199 PolarHBondContact O-N 2.88Å; D197-V199 VanDerWaalsContact C-N 3.29Å; D197-V199 PolarHBondContact O-N 3.14Å; V199-I201 VanDerWaalsContact C-N 3.31Å; V199-I201 HydrophobicContact CB-CG1 4.48Å; V199-I201 HydrophobicContact CG1-CD1 4.3Å; V199-I201 HydrophobicContact CG1-CG1 4.43Å; V199-I201 PolarHBondContact O-N 3.16Å; V199-R254 PolarHBondContact O-NE 2.69Å; V199-R254 PolarHBondContact O-NH1 2.86Å; V199-R254 PolarHBondContact O-NH2 3.07Å; V199-R254 VanDerWaalsContact O-NH2 3.12Å
200G96.8Very high96.1Very high26 Ų2639.2 Ų39.227%0.26823%0.23SC..THydrogen-bonded Turntrans48.447.1-179.300000114.3L196 D197 R254L196-G200 PolarHBondContact O-N 3.21Å; D197-G200 VanDerWaalsContact O-CA 3.31Å; D197-G200 WeakPolarHBondContact O-CA 3.25Å; D197-G200 PolarHBondContact O-N 2.81Å; G200-R254 VanDerWaalsContact CA-NH2 3.27Å; G200-R254 PolarHBondContact O-NE 2.97Å
201I98.3Very high95.6Very high7 Ų739.7 Ų39.74%0.03623%0.233CC..  trans-64.3131.5166.3-62.7-60.1000108.4Y183 L196 V199 A203 L204 Y219 R254 L256Y183-I201 HydrophobicContact CD2-CD1 3.6Å; Y183-I201 HydrophobicContact CE2-CD1 4.2Å; Y183-I201 HydrophobicContact CG-CD1 3.91Å; L196-I201 HydrophobicContact CB-CB 4.2Å; L196-I201 HydrophobicContact CB-CG1 4.45Å; L196-I201 HydrophobicContact CD2-CB 4.24Å; L196-I201 HydrophobicContact CD2-CG1 3.97Å; L196-I201 HydrophobicContact CD2-CG2 4.31Å; L196-I201 PolarHBondContact O-N 2.55Å; V199-I201 VanDerWaalsContact C-N 3.31Å; V199-I201 HydrophobicContact CB-CG1 4.48Å; V199-I201 HydrophobicContact CG1-CD1 4.3Å; V199-I201 HydrophobicContact CG1-CG1 4.43Å; V199-I201 PolarHBondContact O-N 3.16Å; I201-A203 WeakPolarHBondContact CG2-O 3.16Å; I201-L204 HydrophobicContact CG2-CD1 4.17Å; I201-L204 HydrophobicContact CG2-CG 4.4Å; I201-Y219 WeakPolarHBondContact O-CD1 3.44Å; I201-Y219 WeakPolarHBondContact O-CE1 3.4Å; I201-R254 HydrophobicContact CD1-CB 4.11Å; I201-L256 HydrophobicContact CD1-CB 4.16Å; I201-L256 HydrophobicContact CG1-CB 4.44Å; I201-L256 HydrophobicContact CG2-CB 4.15Å
202S98.4Very high95.4Very high50 Ų5041.7 Ų41.735%0.3525%0.245SC..  trans-109.4-19.4175.760.50000112.3Q220 G253 R254S202-Q220 PolarHBondContact O-N 3.07Å; S202-Q220 VanDerWaalsContact O-N 3.1Å; S202-G253 VanDerWaalsContact OG-CA 3.29Å; S202-G253 WeakPolarHBondContact OG-CA 3.29Å; S202-R254 PolarHBondContact N-O 3.22Å; S202-R254 PolarHBondContact OG-N 3.04Å; S202-R254 PolarHBondContact OG-O 3.21Å
203A98.6Very high95.4Very high0 Ų040.1 Ų40.10%024%0.239CC..EExtended strand (participates in β ladder)trans-143.5151.1-176.600000113I201 Q220 F244 V248 R254 V255 L256I201-A203 WeakPolarHBondContact CG2-O 3.16Å; A203-Q220 CarbonylContact C-O 3.59Å; A203-Q220 WeakPolarHBondContact CA-O 3.27Å; A203-Q220 HydrophobicContact CB-CB 4.01Å; A203-F244 HydrophobicContact CB-CE1 4.31Å; A203-F244 HydrophobicContact CB-CZ 3.95Å; A203-V248 HydrophobicContact CB-CB 4.42Å; A203-V248 HydrophobicContact CB-CG1 4.07Å; A203-V248 HydrophobicContact CB-CG2 3.45Å; A203-V248 VanDerWaalsContact CB-CG2 3.45Å; A203-R254 PolarHBondContact N-O 2.84Å; A203-V255 HydrophobicContact CB-CB 4.35Å; A203-V255 HydrophobicContact CB-CG2 4.32Å; A203-V255 VanDerWaalsContact O-CA 3.29Å; A203-V255 WeakPolarHBondContact O-CA 3.22Å; A203-L256 PolarHBondContact O-N 3.33Å
204L98.8Very high95.3Very high0 Ų041 Ų410%025%0.245CC..EExtended strand (participates in β ladder)trans-125.6129.3174.9-68.892.1000110.4A190 L196 I201 Y219 Q220 Y221 K222 L256A190-L204 HydrophobicContact CB-CD2 3.86Å; L196-L204 HydrophobicContact CD1-CD1 4.47Å; L196-L204 HydrophobicContact CD1-CD2 4.15Å; I201-L204 HydrophobicContact CG2-CD1 4.17Å; I201-L204 HydrophobicContact CG2-CG 4.4Å; L204-Y219 HydrophobicContact CD1-CD1 4.07Å; L204-Y219 HydrophobicContact CD1-CD2 3.78Å; L204-Y219 HydrophobicContact CD1-CG 3.48Å; L204-Y219 VanDerWaalsContact CD1-CG 3.48Å; L204-Q220 PolarHBondContact N-O 3.19Å; L204-Y221 HydrophobicContact CB-CD1 3.78Å; L204-Y221 HydrophobicContact CB-CE1 3.56Å; L204-Y221 HydrophobicContact CB-CG 4.5Å; L204-Y221 HydrophobicContact CD1-CE1 4.14Å; L204-Y221 HydrophobicContact CD1-CE2 4.15Å; L204-Y221 HydrophobicContact CD2-CE1 3.97Å; L204-Y221 HydrophobicContact CG-CE1 4.09Å; L204-Y221 WeakPolarHBondContact O-CA 3.5Å; L204-K222 PolarHBondContact O-N 2.96Å; L204-L256 WeakPolarHBondContact CA-O 3.31Å; L204-L256 HydrophobicContact CD2-CD2 4.2Å; L204-L256 HydrophobicContact CG-CB 4.39Å
205L98.8Very high95.3Very high0 Ų036.2 Ų36.20%022%0.221CC..EExtended strand (participates in β ladder)trans-104.3103.3169-179.160.1000108.5V207 K222 I224 A241 F244 I245 V255 L256 V257 H258 I269L205-V207 HydrophobicContact CD2-CG2 4.43Å; L205-V207 HydrophobicContact CG-CG2 4.03Å; L205-K222 WeakPolarHBondContact CA-O 3.07Å; L205-K222 HydrophobicContact CD1-CB 3.82Å; L205-K222 HydrophobicContact CD1-CD 4.01Å; L205-K222 HydrophobicContact CD1-CG 3.85Å; L205-I224 HydrophobicContact CD1-CD1 3.76Å; L205-I224 HydrophobicContact CD1-CG1 4.17Å; L205-I224 HydrophobicContact CD2-CD1 4.41Å; L205-I224 HydrophobicContact CG-CD1 4.45Å; L205-A241 HydrophobicContact CD2-CB 3.89Å; L205-F244 HydrophobicContact CB-CD1 4.02Å; L205-F244 HydrophobicContact CB-CE1 3.91Å; L205-F244 HydrophobicContact CD1-CD1 4.06Å; L205-F244 HydrophobicContact CD1-CE1 4.42Å; L205-F244 HydrophobicContact CD2-CD1 4.42Å; L205-F244 HydrophobicContact CG-CD1 4.4Å; L205-I245 HydrophobicContact CD2-CD1 4.4Å; L205-I245 HydrophobicContact CD2-CG1 4.43Å; L205-V255 HydrophobicContact CB-CG2 4.23Å; L205-L256 PolarHBondContact N-O 3.14Å; L205-V257 HydrophobicContact CB-CB 4.48Å; L205-V257 HydrophobicContact CB-CG1 4.38Å; L205-V257 HydrophobicContact CB-CG2 4.13Å; L205-V257 HydrophobicContact CD2-CG1 4.07Å; L205-V257 HydrophobicContact CD2-CG2 4.08Å; L205-V257 HydrophobicContact CG-CG1 4.32Å; L205-V257 WeakPolarHBondContact O-CA 3.39Å; L205-H258 PolarHBondContact O-N 2.95Å; L205-I269 HydrophobicContact CD2-CG2 3.95Å
206N98.6Very high95.1Very high3 Ų340.8 Ų40.82%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-88.9110.1179.1-175.83.7000109.8S208 C211 N213 K222 C223 I224 H258N206-S208 PolarHBondContact OD1-N 2.9Å; N206-S208 PolarHBondContact OD1-OG 2.88Å; N206-C211 PolarHBondContact ND2-O 3.49Å; N206-N213 PolarHBondContact ND2-OD1 2.96Å; N206-K222 PolarHBondContact N-O 2.83Å; N206-C223 CarbonylContact O-C 3.55Å; N206-C223 WeakPolarHBondContact O-CA 3.08Å; N206-I224 PolarHBondContact O-N 3.46Å; N206-H258 VanDerWaalsContact CG-CE1 3.42Å; N206-H258 PolarHBondContact OD1-CE1 3.42Å; N206-H258 VanDerWaalsContact OD1-CE1 3.3Å
207V98.3Very high94.8Very high0 Ų044.9 Ų44.90%028%0.282CS..  trans-104.459.9-178.5-162.20000109.3L205 I224 I234 V257 H258 C259 R265 I269L205-V207 HydrophobicContact CD2-CG2 4.43Å; L205-V207 HydrophobicContact CG-CG2 4.03Å; V207-I224 CarbonylContact C-O 3.54Å; V207-I224 WeakPolarHBondContact CA-O 3.42Å; V207-I224 HydrophobicContact CG1-CB 4.34Å; V207-I224 HydrophobicContact CG1-CG2 4.17Å; V207-I234 HydrophobicContact CG1-CD1 4.16Å; V207-V257 HydrophobicContact CG2-CG1 3.84Å; V207-H258 PolarHBondContact N-O 3.27Å; V207-C259 HydrophobicContact CB-CB 4.49Å; V207-C259 VanDerWaalsContact O-CB 3.23Å; V207-C259 WeakPolarHBondContact O-CB 3.46Å; V207-R265 HydrophobicContact CB-CB 4.31Å; V207-R265 HydrophobicContact CG1-CB 3.93Å; V207-R265 VanDerWaalsContact O-CD 3.28Å; V207-R265 WeakPolarHBondContact O-CD 3.35Å; V207-I269 HydrophobicContact CG1-CG1 4.05Å; V207-I269 HydrophobicContact CG2-CG1 3.95Å
208S95Very high94.8Very high5 Ų544.3 Ų44.34%0.03528%0.282CS..  trans-153.5155173.274.60000111.3N206 C211 I224 V226 R265N206-S208 PolarHBondContact OD1-N 2.9Å; N206-S208 PolarHBondContact OD1-OG 2.88Å; S208-C211 WeakPolarHBondContact OG-CB 3.32Å; S208-C211 PolarHBondContact OG-N 3.37Å; S208-C211 PolarHBondContact OG-SG 2.86Å; S208-I224 PolarHBondContact N-O 3.5Å; S208-I224 VanDerWaalsContact N-O 3.17Å; S208-V226 WeakPolarHBondContact CA-O 3.34Å; S208-R265 VanDerWaalsContact CB-NH1 3.35Å
209A90.8Very high94.9Very high50 Ų5040.6 Ų40.641%0.41325%0.254SS..SBendtrans-79.8-28.9169.700000112.5P225 E227A209-P225 HydrophobicContact CB-CB 4.39Å; A209-E227 HydrophobicContact CB-CG 4.48Å
210D87.6Confident95.1Very high117 Ų11743.8 Ų43.863%0.62627%0.266SS*.SBendtrans-112.8-4.5-162.9-39.2-51.4000114.4
211C87.8Confident95.2Very high11 Ų1144.6 Ų44.67%0.07426%0.262CS..PPolyproline II helixtrans-89.7128.2176.9-52.30000110.2A187 N206 S208 Q260A187-C211 HydrophobicContact CB-CB 4.31Å; N206-C211 PolarHBondContact ND2-O 3.49Å; S208-C211 WeakPolarHBondContact OG-CB 3.32Å; S208-C211 PolarHBondContact OG-N 3.37Å; S208-C211 PolarHBondContact OG-SG 2.86Å; C211-Q260 VanDerWaalsContact SG-CA 3.58Å; C211-Q260 PolarHBondContact SG-OE1 3.05Å
212P90.2Very high95.1Very high82 Ų8246.7 Ų46.753%0.53227%0.27SS..PPolyproline II helixtrans-73.2153.8175.331.2-35.1000111.8
213N95.7Very high95.1Very high30 Ų3047.2 Ų47.216%0.1627%0.273CS..PPolyproline II helixtrans-82.9123.8165-65.5-19.1000109N206 E216 Y221 C223N206-N213 PolarHBondContact ND2-OD1 2.96Å; N213-E216 HydrophobicContact CB-CG 3.5Å; N213-E216 VanDerWaalsContact CB-CG 3.5Å; N213-E216 WeakPolarHBondContact CB-OE1 3.41Å; N213-E216 PolarHBondContact ND2-OE1 3.33Å; N213-Y221 HydrophobicContact CB-CD1 3.79Å; N213-Y221 HydrophobicContact CB-CE1 3.61Å; N213-Y221 HydrophobicContact CB-CG 4.36Å; N213-Y221 WeakPolarHBondContact OD1-CD1 3.18Å; N213-C223 PolarHBondContact ND2-SG 2.88Å
214H94.2Very high95.1Very high84 Ų8447.2 Ų47.239%0.38927%0.273SS..SBendtrans-86.4-25.8-172.9-68.9-71.8000114.5S191S191-H214 VanDerWaalsContact CB-CD2 3.41Å; S191-H214 WeakPolarHBondContact CB-CD2 3.43Å; S191-H214 WeakPolarHBondContact CB-NE2 3.24Å
215F96.1Very high94.9Very high40 Ų4050.9 Ų50.918%0.17530%0.297CS..SBendtrans-136.139.9-165.5-53.9-59000112.3A190 S191 K193 L196 G217 T218 Y219 Y221A190-F215 WeakPolarHBondContact O-CE2 3.44Å; S191-F215 VanDerWaalsContact O-CZ 3.3Å; S191-F215 WeakPolarHBondContact O-CZ 3.16Å; K193-F215 HydrophobicContact CB-CD1 4.4Å; K193-F215 HydrophobicContact CB-CD2 4.49Å; K193-F215 HydrophobicContact CB-CE1 3.81Å; K193-F215 HydrophobicContact CB-CE2 3.9Å; K193-F215 HydrophobicContact CB-CZ 3.54Å; K193-F215 HydrophobicContact CD-CD1 4.05Å; K193-F215 HydrophobicContact CD-CE1 4.1Å; K193-F215 HydrophobicContact CG-CE1 4.43Å; K193-F215 HydrophobicContact CG-CZ 4.49Å; L196-F215 HydrophobicContact CD1-CD2 3.95Å; L196-F215 HydrophobicContact CD1-CE2 4.05Å; F215-G217 PolarHBondContact O-N 3.05Å; F215-T218 WeakPolarHBondContact O-CB 3.29Å; F215-T218 PolarHBondContact O-N 2.78Å; F215-Y219 HydrophobicContact CB-CD2 3.53Å; F215-Y219 HydrophobicContact CB-CE2 3.56Å; F215-Y219 HydrophobicContact CD2-CD2 4.36Å; F215-Y219 AromaticContact CD2-CE2 3.82Å; F215-Y219 HydrophobicContact CD2-CE2 3.82Å; F215-Y219 HydrophobicContact CG-CD2 4.32Å; F215-Y219 AromaticContact CG-CE2 3.91Å; F215-Y219 HydrophobicContact CG-CE2 3.91Å; F215-Y219 PolarHBondContact O-N 3.39Å; F215-Y221 PolarHBondContact N-OH 3.48Å
216E90.9Very high94.7Very high137 Ų13750.9 Ų50.964%0.6430%0.297SS*.BIsolated β-bridgetrans-54.2139.1175.4-61.4-169.1146.500110.7N213 T218 Y221N213-E216 HydrophobicContact CB-CG 3.5Å; N213-E216 VanDerWaalsContact CB-CG 3.5Å; N213-E216 WeakPolarHBondContact CB-OE1 3.41Å; N213-E216 PolarHBondContact ND2-OE1 3.33Å; E216-T218 PolarHBondContact O-N 2.94Å; E216-Y221 HydrophobicContact CG-CD2 4.29Å; E216-Y221 HydrophobicContact CG-CE2 4.42Å
217G91Very high94.6Very high86 Ų8655.2 Ų55.289%0.88732%0.318SS*.THydrogen-bonded Turntrans82.5-18.3-173.400000115.3F215F215-G217 PolarHBondContact O-N 3.05Å
218T95.6Very high94.4Very high74 Ų7458.7 Ų58.745%0.45434%0.336SS..THydrogen-bonded Turntrans-88.7-46.3169-55.30000111.3K193 F215 E216K193-T218 PolarHBondContact NZ-OG1 3.31Å; F215-T218 WeakPolarHBondContact O-CB 3.29Å; F215-T218 PolarHBondContact O-N 2.78Å; E216-T218 PolarHBondContact O-N 2.94Å
219Y97.8Very high94.4Very high16 Ų1660.3 Ų60.36%0.06334%0.344CS..BIsolated β-bridgetrans-112.8158179.9-52.3-84.5000110.8K193 L196 D197 I201 L204 F215 Y221K193-Y219 PolarHBondContact O-OH 3.03Å; L196-Y219 HydrophobicContact CB-CE1 4.23Å; L196-Y219 VanDerWaalsContact CB-OH 3.25Å; L196-Y219 WeakPolarHBondContact CB-OH 3.41Å; L196-Y219 HydrophobicContact CD1-CE2 3.98Å; D197-Y219 PolarHBondContact OD1-OH 3.48Å; I201-Y219 WeakPolarHBondContact O-CD1 3.44Å; I201-Y219 WeakPolarHBondContact O-CE1 3.4Å; L204-Y219 HydrophobicContact CD1-CD1 4.07Å; L204-Y219 HydrophobicContact CD1-CD2 3.78Å; L204-Y219 HydrophobicContact CD1-CG 3.48Å; L204-Y219 VanDerWaalsContact CD1-CG 3.48Å; F215-Y219 HydrophobicContact CB-CD2 3.53Å; F215-Y219 HydrophobicContact CB-CE2 3.56Å; F215-Y219 HydrophobicContact CD2-CD2 4.36Å; F215-Y219 AromaticContact CD2-CE2 3.82Å; F215-Y219 HydrophobicContact CD2-CE2 3.82Å; F215-Y219 HydrophobicContact CG-CD2 4.32Å; F215-Y219 AromaticContact CG-CE2 3.91Å; F215-Y219 HydrophobicContact CG-CE2 3.91Å; F215-Y219 PolarHBondContact O-N 3.39Å; Y219-Y221 HydrophobicContact CD2-CE2 4.38Å; Y219-Y221 WeakPolarHBondContact O-CD2 3.38Å
220Q97.9Very high94.3Very high102 Ų10264.4 Ų64.448%0.47736%0.355SS..EExtended strand (participates in β ladder)trans-73.5125.6167.6-173.8-176.835.800109.6S202 A203 L204 F244S202-Q220 PolarHBondContact O-N 3.07Å; S202-Q220 VanDerWaalsContact O-N 3.1Å; A203-Q220 CarbonylContact C-O 3.59Å; A203-Q220 WeakPolarHBondContact CA-O 3.27Å; A203-Q220 HydrophobicContact CB-CB 4.01Å; L204-Q220 PolarHBondContact N-O 3.19Å; Q220-F244 HydrophobicContact CG-CE2 4.02Å; Q220-F244 HydrophobicContact CG-CZ 4.28Å
221Y98.1Very high94.6Very high42 Ų4267 Ų6717%0.16536%0.36CS..EExtended strand (participates in β ladder)trans-110.6145177.8-81.6-94.1000112L204 N213 F215 E216 Y219L204-Y221 HydrophobicContact CB-CD1 3.78Å; L204-Y221 HydrophobicContact CB-CE1 3.56Å; L204-Y221 HydrophobicContact CB-CG 4.5Å; L204-Y221 HydrophobicContact CD1-CE1 4.14Å; L204-Y221 HydrophobicContact CD1-CE2 4.15Å; L204-Y221 HydrophobicContact CD2-CE1 3.97Å; L204-Y221 HydrophobicContact CG-CE1 4.09Å; L204-Y221 WeakPolarHBondContact O-CA 3.5Å; N213-Y221 HydrophobicContact CB-CD1 3.79Å; N213-Y221 HydrophobicContact CB-CE1 3.61Å; N213-Y221 HydrophobicContact CB-CG 4.36Å; N213-Y221 WeakPolarHBondContact OD1-CD1 3.18Å; F215-Y221 PolarHBondContact N-OH 3.48Å; E216-Y221 HydrophobicContact CG-CD2 4.29Å; E216-Y221 HydrophobicContact CG-CE2 4.42Å; Y219-Y221 HydrophobicContact CD2-CE2 4.38Å; Y219-Y221 WeakPolarHBondContact O-CD2 3.38Å
222K98.1Very high95Very high51 Ų5169.2 Ų69.222%0.22237%0.37CS..EExtended strand (participates in β ladder)trans-134.2134.1160.2-177174.7-174.368.90108.9L204 L205 N206 E240 F244L204-K222 PolarHBondContact O-N 2.96Å; L205-K222 WeakPolarHBondContact CA-O 3.07Å; L205-K222 HydrophobicContact CD1-CB 3.82Å; L205-K222 HydrophobicContact CD1-CD 4.01Å; L205-K222 HydrophobicContact CD1-CG 3.85Å; N206-K222 PolarHBondContact N-O 2.83Å; K222-E240 WeakPolarHBondContact CE-OE1 3.47Å; K222-E240 IonicContact NZ-OE1 3.84Å; K222-E240 PolarHBondContact NZ-OE1 2.89Å; K222-F244 HydrophobicContact CB-CD1 4.06Å; K222-F244 HydrophobicContact CB-CD2 3.82Å; K222-F244 HydrophobicContact CB-CE1 3.91Å; K222-F244 HydrophobicContact CB-CE2 3.67Å; K222-F244 HydrophobicContact CB-CG 4Å; K222-F244 HydrophobicContact CB-CZ 3.7Å; K222-F244 HydrophobicContact CD-CB 3.53Å; K222-F244 HydrophobicContact CD-CD1 4.14Å; K222-F244 HydrophobicContact CD-CD2 3.66Å; K222-F244 HydrophobicContact CD-CE2 4.38Å; K222-F244 HydrophobicContact CD-CG 3.5Å; K222-F244 HydrophobicContact CG-CD2 4.39Å; K222-F244 HydrophobicContact CG-CG 4.4Å
223C97.8Very high95.3Very high61 Ų6169.1 Ų69.141%0.41237%0.365SS..EExtended strand (participates in β ladder)trans-112.4133178.9-60.40000110.3N206 N213N206-C223 CarbonylContact O-C 3.55Å; N206-C223 WeakPolarHBondContact O-CA 3.08Å; N213-C223 PolarHBondContact ND2-SG 2.88Å
224I97.6Very high95.4Very high0 Ų067.7 Ų67.70%036%0.357CS..  trans-119.6100.5172.1-68.2170.5000106.1L205 N206 V207 S208 V226 W237 A241L205-I224 HydrophobicContact CD1-CD1 3.76Å; L205-I224 HydrophobicContact CD1-CG1 4.17Å; L205-I224 HydrophobicContact CD2-CD1 4.41Å; L205-I224 HydrophobicContact CG-CD1 4.45Å; N206-I224 PolarHBondContact O-N 3.46Å; V207-I224 CarbonylContact C-O 3.54Å; V207-I224 WeakPolarHBondContact CA-O 3.42Å; V207-I224 HydrophobicContact CG1-CB 4.34Å; V207-I224 HydrophobicContact CG1-CG2 4.17Å; S208-I224 PolarHBondContact N-O 3.5Å; S208-I224 VanDerWaalsContact N-O 3.17Å; I224-V226 VanDerWaalsContact C-N 3.28Å; I224-V226 HydrophobicContact CG2-CB 4.34Å; I224-V226 HydrophobicContact CG2-CG2 3.54Å; I224-V226 PolarHBondContact O-N 2.93Å; I224-W237 HydrophobicContact CD1-CB 4.17Å; I224-W237 HydrophobicContact CG1-CD2 4.4Å; I224-W237 HydrophobicContact CG1-CE3 4.1Å; I224-W237 HydrophobicContact CG2-CB 3.83Å; I224-W237 HydrophobicContact CG2-CD2 3.63Å; I224-W237 HydrophobicContact CG2-CE3 4.18Å; I224-W237 HydrophobicContact CG2-CG 3.45Å; I224-W237 VanDerWaalsContact CG2-CG 3.45Å; I224-A241 HydrophobicContact CD1-CB 3.73Å
225P95.9Very high95.6Very high78 Ų7865.5 Ų65.551%0.50635%0.351SS..  trans-78.577.6-17132.6-35.2000110.6A209A209-P225 HydrophobicContact CB-CB 4.39Å
226V94.9Very high95.7Very high0 Ų067.4 Ų67.40%037%0.368CS..  trans-114.1130-178.5169.20000110.1S208 I224 E232 I234 W237 R265 F302S208-V226 WeakPolarHBondContact CA-O 3.34Å; I224-V226 VanDerWaalsContact C-N 3.28Å; I224-V226 HydrophobicContact CG2-CB 4.34Å; I224-V226 HydrophobicContact CG2-CG2 3.54Å; I224-V226 PolarHBondContact O-N 2.93Å; V226-E232 HydrophobicContact CG1-CB 4.22Å; V226-E232 HydrophobicContact CG1-CG 4.43Å; V226-I234 HydrophobicContact CG1-CB 4.16Å; V226-I234 HydrophobicContact CG1-CD1 4.12Å; V226-I234 HydrophobicContact CG1-CG1 4.14Å; V226-I234 HydrophobicContact CG2-CG1 4.45Å; V226-W237 HydrophobicContact CG2-CG 4.47Å; V226-R265 HydrophobicContact CG1-CG 4.25Å; V226-R265 WeakPolarHBondContact O-CD 3.47Å; V226-R265 PolarHBondContact O-NH1 3.5Å; V226-F302 HydrophobicContact CG1-CZ 3.92Å
227E95.4Very high96Very high94 Ų9464.2 Ų64.244%0.43935%0.351SS..  trans-79.5158.8170-66.9-171.7-173.200111.7A209 N229 E232 F302A209-E227 HydrophobicContact CB-CG 4.48Å; E227-N229 WeakPolarHBondContact CB-ND2 3.26Å; E227-N229 PolarHBondContact O-N 2.81Å; E227-N229 PolarHBondContact OE2-ND2 2.99Å; E227-E232 HydrophobicContact CB-CG 3.81Å; E227-E232 WeakPolarHBondContact O-CG 3.36Å; E227-F302 WeakPolarHBondContact O-CZ 3.15Å
228D95.1Very high96.4Very high72 Ų7260.1 Ų60.139%0.38531%0.309SS..SBendtrans-96.165.3177.8-164.114.4000111.2S264 R265 N299D228-S264 VanDerWaalsContact OD1-CB 3.24Å; D228-S264 WeakPolarHBondContact OD1-CB 3.49Å; D228-S264 PolarHBondContact OD1-OG 2.73Å; D228-S264 WeakPolarHBondContact OD2-CB 3.2Å; D228-R265 HydrophobicContact CB-CG 4.17Å; D228-N299 PolarHBondContact OD1-ND2 3.17Å
229N93.4Very high96.5Very high40 Ų4060.8 Ų60.821%0.21431%0.309CS..SBendtrans-136.2166.8-178.778.959000111.2E227 K231 E232E227-N229 WeakPolarHBondContact CB-ND2 3.26Å; E227-N229 PolarHBondContact O-N 2.81Å; E227-N229 PolarHBondContact OE2-ND2 2.99Å; N229-K231 VanDerWaalsContact C-N 3.27Å; N229-K231 PolarHBondContact O-N 3.5Å; N229-K231 WeakPolarHBondContact OD1-CA 3.28Å; N229-K231 WeakPolarHBondContact OD1-CB 3.46Å; N229-K231 PolarHBondContact OD1-N 2.94Å; N229-E232 PolarHBondContact O-N 2.82Å; N229-E232 PolarHBondContact OD1-N 2.82Å
230H89.9Confident96.5Very high136 Ų13663.5 Ų63.563%0.6332%0.322SS*.THydrogen-bonded Turntrans-73.7-14.1-17361.7-87.6000114.6S301H230-S301 WeakPolarHBondContact O-CB 3.03Å; H230-S301 PolarHBondContact O-OG 2.82Å
231K93.3Very high96.6Very high171 Ų17158.6 Ų58.674%0.74330%0.299SS*.THydrogen-bonded Turntrans-88.4-17.2-179.2-57.1-179.8179.4176.80112.6N229N229-K231 VanDerWaalsContact C-N 3.27Å; N229-K231 PolarHBondContact O-N 3.5Å; N229-K231 WeakPolarHBondContact OD1-CA 3.28Å; N229-K231 WeakPolarHBondContact OD1-CB 3.46Å; N229-K231 PolarHBondContact OD1-N 2.94Å
232E96.3Very high96.6Very high58 Ų5856.7 Ų56.727%0.27129%0.292SS..  trans-72.2135.3-179.9-70.8-57.6145.300112.3V226 E227 N229 F302 Q305V226-E232 HydrophobicContact CG1-CB 4.22Å; V226-E232 HydrophobicContact CG1-CG 4.43Å; E227-E232 HydrophobicContact CB-CG 3.81Å; E227-E232 WeakPolarHBondContact O-CG 3.36Å; N229-E232 PolarHBondContact O-N 2.82Å; N229-E232 PolarHBondContact OD1-N 2.82Å; E232-F302 HydrophobicContact CB-CE1 3.92Å; E232-F302 HydrophobicContact CB-CZ 4.13Å; E232-Q305 PolarHBondContact O-NE2 3.11Å
233D96.6Very high96.6Very high79 Ų7960.2 Ų60.242%0.42231%0.309SS..  trans-97.290.4169-176.74.9000109.3S235 C236 Q305D233-S235 VanDerWaalsContact C-N 3.27Å; D233-S235 WeakPolarHBondContact OD1-CB 3.38Å; D233-S235 PolarHBondContact OD1-N 3.08Å; D233-S235 PolarHBondContact OD1-OG 2.82Å; D233-C236 PolarHBondContact O-SG 3.28Å; D233-C236 PolarHBondContact OD1-N 3.03Å; D233-Q305 PolarHBondContact OD1-OE1 3.33Å
234I98.2Very high96.7Very high0 Ų058.1 Ų58.10%029%0.293CS..  trans-76.9-19174.6-165.9168.6000111.7V207 V226 C236 W237 F238 R265 T268 I269 F302 Q305V207-I234 HydrophobicContact CG1-CD1 4.16Å; V226-I234 HydrophobicContact CG1-CB 4.16Å; V226-I234 HydrophobicContact CG1-CD1 4.12Å; V226-I234 HydrophobicContact CG1-CG1 4.14Å; V226-I234 HydrophobicContact CG2-CG1 4.45Å; I234-C236 VanDerWaalsContact C-N 3.32Å; I234-C236 PolarHBondContact O-N 2.87Å; I234-W237 WeakPolarHBondContact O-CB 3.21Å; I234-W237 PolarHBondContact O-N 3.25Å; I234-W237 VanDerWaalsContact O-N 3.14Å; I234-F238 HydrophobicContact CG1-CE1 4.21Å; I234-F238 HydrophobicContact CG2-CE1 3.96Å; I234-F238 HydrophobicContact CG2-CZ 4.11Å; I234-F238 WeakPolarHBondContact O-CD1 3.43Å; I234-R265 HydrophobicContact CD1-CB 4.29Å; I234-R265 HydrophobicContact CD1-CG 4.42Å; I234-T268 HydrophobicContact CD1-CG2 4.2Å; I234-T268 HydrophobicContact CG2-CG2 3.91Å; I234-I269 HydrophobicContact CD1-CD1 4.21Å; I234-I269 HydrophobicContact CD1-CG1 4.39Å; I234-I269 HydrophobicContact CG1-CD1 4.14Å; I234-F302 HydrophobicContact CB-CD1 4.06Å; I234-F302 HydrophobicContact CB-CE1 3.76Å; I234-F302 HydrophobicContact CB-CZ 4.01Å; I234-F302 HydrophobicContact CD1-CD2 4.32Å; I234-F302 HydrophobicContact CD1-CE2 4.02Å; I234-F302 HydrophobicContact CD1-CZ 4.23Å; I234-F302 HydrophobicContact CG2-CB 4.24Å; I234-F302 HydrophobicContact CG2-CD1 3.3Å; I234-F302 HydrophobicContact CG2-CD2 4.16Å; I234-F302 HydrophobicContact CG2-CE1 3.55Å; I234-F302 HydrophobicContact CG2-CE2 4.38Å; I234-F302 HydrophobicContact CG2-CG 3.64Å; I234-F302 HydrophobicContact CG2-CZ 4.09Å; I234-Q305 VanDerWaalsContact CG2-OE1 3.29Å
235S97.9Very high96.7Very high39 Ų3958.1 Ų58.127%0.27329%0.293SS..G310 helixtrans-66.9-32.3-174.879.20000113.4D233 W237 F238D233-S235 VanDerWaalsContact C-N 3.27Å; D233-S235 WeakPolarHBondContact OD1-CB 3.38Å; D233-S235 PolarHBondContact OD1-N 3.08Å; D233-S235 PolarHBondContact OD1-OG 2.82Å; S235-W237 PolarHBondContact O-N 2.62Å; S235-W237 VanDerWaalsContact O-N 3.14Å; S235-F238 WeakPolarHBondContact O-CB 3.17Å; S235-F238 WeakPolarHBondContact O-CG 3.44Å; S235-F238 PolarHBondContact O-N 2.95Å
236C97.5Very high96.8Very high79 Ų7954.9 Ų54.953%0.53427%0.271SS..G310 helixtrans-59.1-25175.270.90000112.8D233 I234D233-C236 PolarHBondContact O-SG 3.28Å; D233-C236 PolarHBondContact OD1-N 3.03Å; I234-C236 VanDerWaalsContact C-N 3.32Å; I234-C236 PolarHBondContact O-N 2.87Å
237W98.4Very high97Very high70 Ų7057.4 Ų57.427%0.26529%0.289SS..G310 helixtrans-90.9-6.9179.7-61.2103.1000114.3I224 V226 I234 S235 L239 E240 A241I224-W237 HydrophobicContact CD1-CB 4.17Å; I224-W237 HydrophobicContact CG1-CD2 4.4Å; I224-W237 HydrophobicContact CG1-CE3 4.1Å; I224-W237 HydrophobicContact CG2-CB 3.83Å; I224-W237 HydrophobicContact CG2-CD2 3.63Å; I224-W237 HydrophobicContact CG2-CE3 4.18Å; I224-W237 HydrophobicContact CG2-CG 3.45Å; I224-W237 VanDerWaalsContact CG2-CG 3.45Å; V226-W237 HydrophobicContact CG2-CG 4.47Å; I234-W237 WeakPolarHBondContact O-CB 3.21Å; I234-W237 PolarHBondContact O-N 3.25Å; I234-W237 VanDerWaalsContact O-N 3.14Å; S235-W237 PolarHBondContact O-N 2.62Å; S235-W237 VanDerWaalsContact O-N 3.14Å; W237-L239 PolarHBondContact O-N 3.22Å; W237-E240 VanDerWaalsContact CE3-OE2 3.29Å; W237-E240 WeakPolarHBondContact CZ3-OE2 3.1Å; W237-E240 PolarHBondContact O-N 3.46Å; W237-A241 VanDerWaalsContact O-CB 3.28Å; W237-A241 WeakPolarHBondContact O-CB 2.98Å; W237-A241 PolarHBondContact O-N 2.91Å
238F98.6Very high97.1Very high1 Ų153 Ų530%0.00427%0.268CS..Hα-helixtrans-59.3-48.9-172.9-71.8-14.3000112.6I234 S235 A241 I242 T268 I269 A272 L306 F309I234-F238 HydrophobicContact CG1-CE1 4.21Å; I234-F238 HydrophobicContact CG2-CE1 3.96Å; I234-F238 HydrophobicContact CG2-CZ 4.11Å; I234-F238 WeakPolarHBondContact O-CD1 3.43Å; S235-F238 WeakPolarHBondContact O-CB 3.17Å; S235-F238 WeakPolarHBondContact O-CG 3.44Å; S235-F238 PolarHBondContact O-N 2.95Å; F238-A241 PolarHBondContact O-N 3.38Å; F238-I242 HydrophobicContact CB-CD1 4.46Å; F238-I242 VanDerWaalsContact O-CB 3.32Å; F238-I242 WeakPolarHBondContact O-CB 3.19Å; F238-I242 WeakPolarHBondContact O-CD1 3.41Å; F238-I242 WeakPolarHBondContact O-CG1 3.37Å; F238-I242 PolarHBondContact O-N 3.41Å; F238-T268 HydrophobicContact CE1-CG2 3.75Å; F238-T268 HydrophobicContact CZ-CG2 3.79Å; F238-I269 HydrophobicContact CD1-CD1 3.82Å; F238-I269 HydrophobicContact CE1-CD1 4.11Å; F238-A272 HydrophobicContact CB-CB 4.3Å; F238-A272 HydrophobicContact CD1-CB 3.8Å; F238-A272 HydrophobicContact CD2-CB 4Å; F238-A272 HydrophobicContact CE1-CB 4.05Å; F238-A272 HydrophobicContact CE2-CB 4.23Å; F238-A272 HydrophobicContact CG-CB 3.77Å; F238-A272 HydrophobicContact CZ-CB 4.25Å; F238-L306 HydrophobicContact CE2-CD2 4.13Å; F238-L306 HydrophobicContact CZ-CD2 3.81Å; F238-L306 HydrophobicContact CZ-CG 4.29Å; F238-F309 HydrophobicContact CB-CE1 4.48Å; F238-F309 HydrophobicContact CB-CE2 4.02Å; F238-F309 HydrophobicContact CB-CZ 3.99Å; F238-F309 HydrophobicContact CD2-CB 3.87Å; F238-F309 AromaticContact CD2-CD1 3.77Å; F238-F309 HydrophobicContact CD2-CD1 3.77Å; F238-F309 AromaticContact CD2-CD2 3.65Å; F238-F309 HydrophobicContact CD2-CD2 3.65Å; F238-F309 HydrophobicContact CD2-CE1 4.13Å; F238-F309 AromaticContact CD2-CE2 4Å; F238-F309 HydrophobicContact CD2-CE2 4Å; F238-F309 AromaticContact CD2-CG 3.49Å; F238-F309 HydrophobicContact CD2-CG 3.49Å; F238-F309 VanDerWaalsContact CD2-CG 3.49Å; F238-F309 HydrophobicContact CD2-CZ 4.21Å; F238-F309 HydrophobicContact CE2-CB 3.76Å; F238-F309 HydrophobicContact CE2-CD1 4.17Å; F238-F309 HydrophobicContact CE2-CD2 4.42Å; F238-F309 AromaticContact CE2-CG 3.89Å; F238-F309 HydrophobicContact CE2-CG 3.89Å
239L97.9Very high97.2Very high87 Ų8753.4 Ų53.446%0.45526%0.264SS..Hα-helixtrans-65.4-43.2-177.7-64-178.4000111.8W237 I242 E243 F309W237-L239 PolarHBondContact O-N 3.22Å; L239-I242 PolarHBondContact O-N 3.49Å; L239-E243 WeakPolarHBondContact O-CB 3.24Å; L239-E243 WeakPolarHBondContact O-CG 3.29Å; L239-E243 PolarHBondContact O-N 3.23Å; L239-F309 HydrophobicContact CD2-CE2 4.28Å; L239-F309 HydrophobicContact CD2-CZ 4.4Å
240E98.3Very high97.3Very high73 Ų7356.7 Ų56.734%0.34128%0.282SS..Hα-helixtrans-64.4-41.4178.5174.1171.4176.600112.5K222 W237 I242 F244K222-E240 WeakPolarHBondContact CE-OE1 3.47Å; K222-E240 IonicContact NZ-OE1 3.84Å; K222-E240 PolarHBondContact NZ-OE1 2.89Å; W237-E240 VanDerWaalsContact CE3-OE2 3.29Å; W237-E240 WeakPolarHBondContact CZ3-OE2 3.1Å; W237-E240 PolarHBondContact O-N 3.46Å; E240-I242 VanDerWaalsContact C-N 3.35Å; E240-F244 PolarHBondContact O-N 3.24Å; E240-F244 VanDerWaalsContact O-N 3.12Å
241A98.7Very high97.5Very high0 Ų054.1 Ų54.10%028%0.279CS..Hα-helixtrans-63-42.517300000111.7L205 I224 W237 F238 F244 I245 I269L205-A241 HydrophobicContact CD2-CB 3.89Å; I224-A241 HydrophobicContact CD1-CB 3.73Å; W237-A241 VanDerWaalsContact O-CB 3.28Å; W237-A241 WeakPolarHBondContact O-CB 2.98Å; W237-A241 PolarHBondContact O-N 2.91Å; F238-A241 PolarHBondContact O-N 3.38Å; A241-F244 PolarHBondContact O-N 3.02Å; A241-I245 WeakPolarHBondContact O-CD1 3.41Å; A241-I245 VanDerWaalsContact O-CG1 3.26Å; A241-I245 WeakPolarHBondContact O-CG1 3.46Å; A241-I245 PolarHBondContact O-N 3.48Å; A241-I269 HydrophobicContact CB-CD1 4.01Å; A241-I269 HydrophobicContact CB-CG2 3.74Å
242I98.6Very high97.6Very high2 Ų251.5 Ų51.51%0.0128%0.283CS..Hα-helixtrans-64.7-45.3-180-70.8162.3000110.9F238 L239 E240 F244 I245 D246 Y273 K276 R277 F309F238-I242 HydrophobicContact CB-CD1 4.46Å; F238-I242 VanDerWaalsContact O-CB 3.32Å; F238-I242 WeakPolarHBondContact O-CB 3.19Å; F238-I242 WeakPolarHBondContact O-CD1 3.41Å; F238-I242 WeakPolarHBondContact O-CG1 3.37Å; F238-I242 PolarHBondContact O-N 3.41Å; L239-I242 PolarHBondContact O-N 3.49Å; E240-I242 VanDerWaalsContact C-N 3.35Å; I242-F244 VanDerWaalsContact C-N 3.31Å; I242-F244 PolarHBondContact O-N 3.36Å; I242-I245 PolarHBondContact O-N 2.97Å; I242-D246 WeakPolarHBondContact CG2-OD2 3.28Å; I242-D246 PolarHBondContact O-N 3.39Å; I242-Y273 HydrophobicContact CB-CD2 4.18Å; I242-Y273 HydrophobicContact CG1-CD2 3.95Å; I242-Y273 HydrophobicContact CG2-CD2 3.92Å; I242-Y273 HydrophobicContact CG2-CE2 4.16Å; I242-K276 HydrophobicContact CD1-CB 3.66Å; I242-K276 HydrophobicContact CD1-CG 3.93Å; I242-K276 HydrophobicContact CG2-CG 4.27Å; I242-R277 HydrophobicContact CG2-CG 3.98Å; I242-F309 HydrophobicContact CD1-CE1 4.29Å; I242-F309 HydrophobicContact CD1-CZ 3.91Å
243E98.4Very high97.7Very high124 Ų12449.3 Ų49.358%0.57928%0.276SS*.Hα-helixtrans-60.8-40.1177-75.6172.2-17400112L239 D246 S247L239-E243 WeakPolarHBondContact O-CB 3.24Å; L239-E243 WeakPolarHBondContact O-CG 3.29Å; L239-E243 PolarHBondContact O-N 3.23Å; E243-D246 PolarHBondContact O-N 3.41Å; E243-S247 PolarHBondContact O-N 3.38Å
244F98.8Very high97.8Very high18 Ų1849.9 Ų49.98%0.07927%0.272CS..Hα-helixtrans-61.4-47.7173.4-179.3-107.4000111.7A203 L205 Q220 K222 E240 A241 I242 D246 S247 V248 V255A203-F244 HydrophobicContact CB-CE1 4.31Å; A203-F244 HydrophobicContact CB-CZ 3.95Å; L205-F244 HydrophobicContact CB-CD1 4.02Å; L205-F244 HydrophobicContact CB-CE1 3.91Å; L205-F244 HydrophobicContact CD1-CD1 4.06Å; L205-F244 HydrophobicContact CD1-CE1 4.42Å; L205-F244 HydrophobicContact CD2-CD1 4.42Å; L205-F244 HydrophobicContact CG-CD1 4.4Å; Q220-F244 HydrophobicContact CG-CE2 4.02Å; Q220-F244 HydrophobicContact CG-CZ 4.28Å; K222-F244 HydrophobicContact CB-CD1 4.06Å; K222-F244 HydrophobicContact CB-CD2 3.82Å; K222-F244 HydrophobicContact CB-CE1 3.91Å; K222-F244 HydrophobicContact CB-CE2 3.67Å; K222-F244 HydrophobicContact CB-CG 4Å; K222-F244 HydrophobicContact CB-CZ 3.7Å; K222-F244 HydrophobicContact CD-CB 3.53Å; K222-F244 HydrophobicContact CD-CD1 4.14Å; K222-F244 HydrophobicContact CD-CD2 3.66Å; K222-F244 HydrophobicContact CD-CE2 4.38Å; K222-F244 HydrophobicContact CD-CG 3.5Å; K222-F244 HydrophobicContact CG-CD2 4.39Å; K222-F244 HydrophobicContact CG-CG 4.4Å; E240-F244 PolarHBondContact O-N 3.24Å; E240-F244 VanDerWaalsContact O-N 3.12Å; A241-F244 PolarHBondContact O-N 3.02Å; I242-F244 VanDerWaalsContact C-N 3.31Å; I242-F244 PolarHBondContact O-N 3.36Å; F244-D246 VanDerWaalsContact C-N 3.31Å; F244-D246 PolarHBondContact O-N 3.07Å; F244-S247 PolarHBondContact O-N 3.41Å; F244-S247 PolarHBondContact O-OG 2.87Å; F244-V248 HydrophobicContact CE1-CG2 4.4Å; F244-V248 HydrophobicContact CZ-CG2 4.33Å; F244-V248 WeakPolarHBondContact O-CG2 3.46Å; F244-V248 PolarHBondContact O-N 3.41Å; F244-V248 VanDerWaalsContact O-N 3.16Å; F244-V255 HydrophobicContact CD1-CG2 4.39Å; F244-V255 HydrophobicContact CE1-CG2 3.91Å
245I98.8Very high97.8Very high0 Ų049.9 Ų49.90%027%0.272CS..Hα-helixtrans-60.6-41177.4-64.4162.7000111.1F181 L182 L205 A241 I242 V248 R249 V255 V257 I269 Y273F181-I245 HydrophobicContact CD2-CG2 4.22Å; F181-I245 HydrophobicContact CE2-CG2 3.84Å; L182-I245 HydrophobicContact CD1-CD1 4.14Å; L182-I245 HydrophobicContact CD1-CG1 4.41Å; L182-I245 HydrophobicContact CD1-CG2 4.22Å; L205-I245 HydrophobicContact CD2-CD1 4.4Å; L205-I245 HydrophobicContact CD2-CG1 4.43Å; A241-I245 WeakPolarHBondContact O-CD1 3.41Å; A241-I245 VanDerWaalsContact O-CG1 3.26Å; A241-I245 WeakPolarHBondContact O-CG1 3.46Å; A241-I245 PolarHBondContact O-N 3.48Å; I242-I245 PolarHBondContact O-N 2.97Å; I245-V248 PolarHBondContact O-N 3.16Å; I245-R249 PolarHBondContact O-N 3.29Å; I245-V255 HydrophobicContact CB-CG1 4.32Å; I245-V255 HydrophobicContact CG1-CG1 4.08Å; I245-V255 HydrophobicContact CG2-CG1 3.92Å; I245-V257 HydrophobicContact CD1-CG2 4.08Å; I245-V257 HydrophobicContact CG1-CG2 4.36Å; I245-I269 HydrophobicContact CD1-CG2 4.14Å; I245-Y273 HydrophobicContact CB-CD2 3.88Å; I245-Y273 HydrophobicContact CB-CE2 3.7Å; I245-Y273 HydrophobicContact CD1-CD2 3.78Å; I245-Y273 HydrophobicContact CD1-CE2 4.47Å; I245-Y273 HydrophobicContact CD1-CG 4.11Å; I245-Y273 HydrophobicContact CG1-CD2 4.46Å; I245-Y273 HydrophobicContact CG2-CD2 3.71Å; I245-Y273 HydrophobicContact CG2-CE1 4.13Å; I245-Y273 HydrophobicContact CG2-CE2 3.29Å; I245-Y273 HydrophobicContact CG2-CG 4.32Å
246D98.1Very high97.8Very high10 Ų1048 Ų485%0.05326%0.259CS..Hα-helixtrans-63.4-43.1175.8-68.6-53.6000111.8I242 E243 F244 V248 R249 D250 Y273 R277I242-D246 WeakPolarHBondContact CG2-OD2 3.28Å; I242-D246 PolarHBondContact O-N 3.39Å; E243-D246 PolarHBondContact O-N 3.41Å; F244-D246 VanDerWaalsContact C-N 3.31Å; F244-D246 PolarHBondContact O-N 3.07Å; D246-V248 PolarHBondContact O-N 2.93Å; D246-R249 WeakPolarHBondContact O-CB 3.43Å; D246-R249 PolarHBondContact O-N 2.81Å; D246-R249 VanDerWaalsContact O-N 3.1Å; D246-R249 IonicContact OD1-CZ 3.6Å; D246-R249 IonicContact OD1-NH1 3.25Å; D246-R249 PolarHBondContact OD1-NH1 3.14Å; D246-R249 IonicContact OD1-NH2 2.56Å; D246-R249 PolarHBondContact OD1-NH2 3.41Å; D246-D250 WeakPolarHBondContact O-CB 3.37Å; D246-D250 PolarHBondContact O-N 3.01Å; D246-Y273 PolarHBondContact OD1-OH 2.59Å; D246-R277 IonicContact OD1-NE 3.65Å; D246-R277 PolarHBondContact OD1-NE 3.27Å; D246-R277 IonicContact OD2-CZ 3.81Å; D246-R277 IonicContact OD2-NE 3.71Å; D246-R277 PolarHBondContact OD2-NE 3.37Å; D246-R277 IonicContact OD2-NH2 3.87Å; D246-R277 PolarHBondContact OD2-NH2 3.17Å
247S98.3Very high97.9Very high53 Ų5344.2 Ų44.237%0.37123%0.233SC..Hα-helixtrans-60.1-36.8179.176.60000112.5E243 F244 S251E243-S247 PolarHBondContact O-N 3.38Å; F244-S247 PolarHBondContact O-N 3.41Å; F244-S247 PolarHBondContact O-OG 2.87Å; S247-S251 PolarHBondContact O-N 2.99Å; S247-S251 PolarHBondContact O-OG 3.31Å
248V98.3Very high97.9Very high0 Ų041 Ų410%022%0.221CC..Hα-helixtrans-71.1-42.3175.3178.50000110.6A203 F244 I245 D246 D250 S251 S252 G253 V255A203-V248 HydrophobicContact CB-CB 4.42Å; A203-V248 HydrophobicContact CB-CG1 4.07Å; A203-V248 HydrophobicContact CB-CG2 3.45Å; A203-V248 VanDerWaalsContact CB-CG2 3.45Å; F244-V248 HydrophobicContact CE1-CG2 4.4Å; F244-V248 HydrophobicContact CZ-CG2 4.33Å; F244-V248 WeakPolarHBondContact O-CG2 3.46Å; F244-V248 PolarHBondContact O-N 3.41Å; F244-V248 VanDerWaalsContact O-N 3.16Å; I245-V248 PolarHBondContact O-N 3.16Å; D246-V248 PolarHBondContact O-N 2.93Å; V248-D250 PolarHBondContact O-N 3.26Å; V248-S251 WeakPolarHBondContact CA-OG 3.47Å; V248-S251 PolarHBondContact O-N 3.13Å; V248-S251 PolarHBondContact O-OG 3.1Å; V248-S252 PolarHBondContact O-N 3.36Å; V248-G253 WeakPolarHBondContact O-CA 3.37Å; V248-G253 PolarHBondContact O-N 2.91Å; V248-V255 HydrophobicContact CB-CB 4.25Å; V248-V255 HydrophobicContact CG1-CB 3.98Å; V248-V255 HydrophobicContact CG2-CB 4.31Å
249R96.5Very high97.8Very high81 Ų8141 Ų4131%0.30622%0.222SC..Hα-helixtrans-59.9-46.9174.5-180-164.268.3-141.7-5.6111.6F181 I245 D246 S251 S252 Y273F181-R249 HydrophobicContact CD1-CB 4.36Å; F181-R249 HydrophobicContact CD1-CG 3.78Å; F181-R249 HydrophobicContact CD2-CB 3.8Å; F181-R249 HydrophobicContact CD2-CG 4.12Å; F181-R249 HydrophobicContact CE1-CG 3.92Å; F181-R249 HydrophobicContact CE2-CB 4.1Å; F181-R249 HydrophobicContact CE2-CG 4.27Å; F181-R249 HydrophobicContact CG-CB 3.97Å; F181-R249 HydrophobicContact CG-CG 3.89Å; F181-R249 HydrophobicContact CZ-CB 4.49Å; F181-R249 HydrophobicContact CZ-CG 4.18Å; I245-R249 PolarHBondContact O-N 3.29Å; D246-R249 WeakPolarHBondContact O-CB 3.43Å; D246-R249 PolarHBondContact O-N 2.81Å; D246-R249 VanDerWaalsContact O-N 3.1Å; D246-R249 IonicContact OD1-CZ 3.6Å; D246-R249 IonicContact OD1-NH1 3.25Å; D246-R249 PolarHBondContact OD1-NH1 3.14Å; D246-R249 IonicContact OD1-NH2 2.56Å; D246-R249 PolarHBondContact OD1-NH2 3.41Å; R249-S251 PolarHBondContact O-N 3.06Å; R249-S252 WeakPolarHBondContact O-CA 3.44Å; R249-S252 PolarHBondContact O-N 3.26Å; R249-Y273 PolarHBondContact NH1-OH 3.12Å
250D95.3Very high97.7Very high110 Ų11041.8 Ų41.859%0.58822%0.223SC*.Hα-helixtrans-70.8-22.9-173.1-63.5-13.5000111.5D246 V248 S252D246-D250 WeakPolarHBondContact O-CB 3.37Å; D246-D250 PolarHBondContact O-N 3.01Å; V248-D250 PolarHBondContact O-N 3.26Å; D250-S252 VanDerWaalsContact C-N 3.26Å; D250-S252 PolarHBondContact O-N 3.26Å
251S95.2Very high97.5Very high81 Ų8140.3 Ų40.357%0.56622%0.223SC*.THydrogen-bonded Turntrans-8612.2167.753.70000114S247 V248 R249 G253S247-S251 PolarHBondContact O-N 2.99Å; S247-S251 PolarHBondContact O-OG 3.31Å; V248-S251 WeakPolarHBondContact CA-OG 3.47Å; V248-S251 PolarHBondContact O-N 3.13Å; V248-S251 PolarHBondContact O-OG 3.1Å; R249-S251 PolarHBondContact O-N 3.06Å; S251-G253 PolarHBondContact O-N 2.82Å
252S95.6Very high97.4Very high117 Ų11740.3 Ų40.382%0.81822%0.223SC*.THydrogen-bonded Turntrans57.124.9-176.5-56.40000114.1V248 R249 D250V248-S252 PolarHBondContact O-N 3.36Å; R249-S252 WeakPolarHBondContact O-CA 3.44Å; R249-S252 PolarHBondContact O-N 3.26Å; D250-S252 VanDerWaalsContact C-N 3.26Å; D250-S252 PolarHBondContact O-N 3.26Å
253G97.6Very high97.3Very high12 Ų1242.9 Ų42.912%0.12424%0.236CC..  trans-89.5-177.7176.800000113.4F181 S202 V248 S251F181-G253 WeakPolarHBondContact CB-O 3.32Å; S202-G253 VanDerWaalsContact OG-CA 3.29Å; S202-G253 WeakPolarHBondContact OG-CA 3.29Å; V248-G253 WeakPolarHBondContact O-CA 3.37Å; V248-G253 PolarHBondContact O-N 2.91Å; S251-G253 PolarHBondContact O-N 2.82Å
254R98.6Very high97.3Very high90 Ų9037 Ų3734%0.3421%0.209SC..  trans-132.6131.6176.3-57.6-174-94.6-167.1-6.2110.1P180 F181 Y183 V199 G200 I201 S202 A203P180-R254 WeakPolarHBondContact O-CD 3.23Å; F181-R254 CarbonylContact O-C 3.57Å; F181-R254 WeakPolarHBondContact O-CA 3.46Å; Y183-R254 HydrophobicContact CE2-CB 4.28Å; V199-R254 PolarHBondContact O-NE 2.69Å; V199-R254 PolarHBondContact O-NH1 2.86Å; V199-R254 PolarHBondContact O-NH2 3.07Å; V199-R254 VanDerWaalsContact O-NH2 3.12Å; G200-R254 VanDerWaalsContact CA-NH2 3.27Å; G200-R254 PolarHBondContact O-NE 2.97Å; I201-R254 HydrophobicContact CD1-CB 4.11Å; S202-R254 PolarHBondContact N-O 3.22Å; S202-R254 PolarHBondContact OG-N 3.04Å; S202-R254 PolarHBondContact OG-O 3.21Å; A203-R254 PolarHBondContact N-O 2.84Å
255V98.8Very high97.2Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-108.8134-178.4590000111.4F181 L182 Y183 A203 L205 F244 I245 V248 V257F181-V255 WeakPolarHBondContact O-CG1 3.48Å; F181-V255 PolarHBondContact O-N 2.88Å; L182-V255 HydrophobicContact CD1-CG1 3.9Å; Y183-V255 PolarHBondContact N-O 3.41Å; A203-V255 HydrophobicContact CB-CB 4.35Å; A203-V255 HydrophobicContact CB-CG2 4.32Å; A203-V255 VanDerWaalsContact O-CA 3.29Å; A203-V255 WeakPolarHBondContact O-CA 3.22Å; L205-V255 HydrophobicContact CB-CG2 4.23Å; F244-V255 HydrophobicContact CD1-CG2 4.39Å; F244-V255 HydrophobicContact CE1-CG2 3.91Å; I245-V255 HydrophobicContact CB-CG1 4.32Å; I245-V255 HydrophobicContact CG1-CG1 4.08Å; I245-V255 HydrophobicContact CG2-CG1 3.92Å; V248-V255 HydrophobicContact CB-CB 4.25Å; V248-V255 HydrophobicContact CG1-CB 3.98Å; V248-V255 HydrophobicContact CG2-CB 4.31Å; V255-V257 HydrophobicContact CG2-CG2 4.42Å
256L98.7Very high97.2Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-95.8115.3164.2172.659.9000109.6P175 A190 L196 I201 A203 L204 L205 H258P175-L256 HydrophobicContact CB-CD1 3.6Å; P175-L256 HydrophobicContact CB-CD2 4.48Å; P175-L256 HydrophobicContact CG-CD1 4.46Å; A190-L256 HydrophobicContact CB-CD2 4.18Å; L196-L256 HydrophobicContact CD2-CD2 3.54Å; I201-L256 HydrophobicContact CD1-CB 4.16Å; I201-L256 HydrophobicContact CG1-CB 4.44Å; I201-L256 HydrophobicContact CG2-CB 4.15Å; A203-L256 PolarHBondContact O-N 3.33Å; L204-L256 WeakPolarHBondContact CA-O 3.31Å; L204-L256 HydrophobicContact CD2-CD2 4.2Å; L204-L256 HydrophobicContact CG-CB 4.39Å; L205-L256 PolarHBondContact N-O 3.14Å; L256-H258 HydrophobicContact CG-CB 4.28Å
257V98.8Very high97.3Very high0 Ų036.6 Ų36.60%021%0.206CC..EExtended strand (participates in β ladder)trans-90.5118.2167.4-172.10000108.3L182 Y183 L184 G185 L205 V207 I245 V255 I269L182-V257 HydrophobicContact CD1-CG2 3.5Å; Y183-V257 PolarHBondContact O-N 2.87Å; L184-V257 WeakPolarHBondContact CA-O 3.45Å; G185-V257 PolarHBondContact N-O 2.8Å; G185-V257 VanDerWaalsContact N-O 3.07Å; L205-V257 HydrophobicContact CB-CB 4.48Å; L205-V257 HydrophobicContact CB-CG1 4.38Å; L205-V257 HydrophobicContact CB-CG2 4.13Å; L205-V257 HydrophobicContact CD2-CG1 4.07Å; L205-V257 HydrophobicContact CD2-CG2 4.08Å; L205-V257 HydrophobicContact CG-CG1 4.32Å; L205-V257 WeakPolarHBondContact O-CA 3.39Å; V207-V257 HydrophobicContact CG2-CG1 3.84Å; I245-V257 HydrophobicContact CD1-CG2 4.08Å; I245-V257 HydrophobicContact CG1-CG2 4.36Å; V255-V257 HydrophobicContact CG2-CG2 4.42Å; V257-I269 HydrophobicContact CG1-CB 4.11Å; V257-I269 HydrophobicContact CG1-CG2 4Å
258H98.4Very high97.3Very high2 Ų234 Ų341%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-133.7160.6-179.377.391.9000112.4G185 A190 L205 N206 V207 L256 S266G185-H258 VanDerWaalsContact O-CA 3.3Å; G185-H258 WeakPolarHBondContact O-CA 3.48Å; G185-H258 WeakPolarHBondContact O-CB 3.4Å; A190-H258 HydrophobicContact CB-CB 4.45Å; L205-H258 PolarHBondContact O-N 2.95Å; N206-H258 VanDerWaalsContact CG-CE1 3.42Å; N206-H258 PolarHBondContact OD1-CE1 3.42Å; N206-H258 VanDerWaalsContact OD1-CE1 3.3Å; V207-H258 PolarHBondContact N-O 3.27Å; L256-H258 HydrophobicContact CG-CB 4.28Å; H258-S266 VanDerWaalsContact C-CB 3.5Å
259C97.3Very high97.3Very high2 Ų234.1 Ų34.11%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-138.3-159.6166.468.30000107.3S186 A187 V207 G262 R265 S266S186-C259 CarbonylContact C-O 3.16Å; S186-C259 VanDerWaalsContact C-O 3.31Å; S186-C259 WeakPolarHBondContact CA-O 3.33Å; A187-C259 PolarHBondContact N-O 3.11Å; V207-C259 HydrophobicContact CB-CB 4.49Å; V207-C259 VanDerWaalsContact O-CB 3.23Å; V207-C259 WeakPolarHBondContact O-CB 3.46Å; C259-G262 PolarHBondContact SG-N 3.41Å; C259-R265 HydrophobicContact CB-CB 3.77Å; C259-S266 PolarHBondContact SG-OG 3.19Å
260Q95.8Very high97.4Very high103 Ų10330.2 Ų30.248%0.48117%0.174SC..SBendtrans-58.3-58.5178.7-173.363.24700112.8S186 A187 C211S186-Q260 WeakPolarHBondContact CB-O 3.42Å; A187-Q260 PolarHBondContact N-O 3.33Å; C211-Q260 VanDerWaalsContact SG-CA 3.58Å; C211-Q260 PolarHBondContact SG-OE1 3.05Å
261A94.3Very high97.6Very high42 Ų4225 Ų2535%0.34715%0.146SC..SBendtrans-106.3-10.2-172.800000114.2S186 I263 R293S186-A261 VanDerWaalsContact CB-C 3.48Å; A261-I263 VanDerWaalsContact C-N 3.3Å; A261-I263 HydrophobicContact CB-CB 4.36Å; A261-I263 HydrophobicContact CB-CD1 3.8Å; A261-I263 HydrophobicContact CB-CG1 3.98Å; A261-I263 PolarHBondContact O-N 3.07Å; A261-R293 PolarHBondContact O-NH2 3.05Å; A261-R293 VanDerWaalsContact O-NH2 3.09Å
262G95.8Very high97.7Very high0 Ų021.2 Ų21.20%012%0.12CC..SBendtrans64.533.9-173.400000113.6G185 C259 S266 R293G185-G262 WeakPolarHBondContact O-CA 3.15Å; C259-G262 PolarHBondContact SG-N 3.41Å; G262-S266 WeakPolarHBondContact CA-OG 3.48Å; G262-R293 PolarHBondContact O-NE 2.86Å
263I95.9Very high97.9Very high55 Ų5515.6 Ų15.628%0.2828%0.081SC..SBendtrans-111.9-53.4-175.2-69.4173.6000111.4A261 A267 I295 I296 S297A261-I263 VanDerWaalsContact C-N 3.3Å; A261-I263 HydrophobicContact CB-CB 4.36Å; A261-I263 HydrophobicContact CB-CD1 3.8Å; A261-I263 HydrophobicContact CB-CG1 3.98Å; A261-I263 PolarHBondContact O-N 3.07Å; I263-A267 WeakPolarHBondContact O-CB 3.43Å; I263-I295 HydrophobicContact CD1-CD1 4.26Å; I263-I295 HydrophobicContact CG1-CD1 3.75Å; I263-I295 HydrophobicContact CG1-CG1 4.16Å; I263-I295 WeakPolarHBondContact CG2-O 3.38Å; I263-I296 WeakPolarHBondContact O-CA 3.26Å; I263-S297 CarbonylContact O-C 3.38Å; I263-S297 PolarHBondContact O-N 3.36Å
264S97.9Very high97.8Very high2 Ų215 Ų151%0.0148%0.075CC..SBendtrans-108.5-84.1-171.2173.80000112D228 S266 A267 T268 S297 N299 F302D228-S264 VanDerWaalsContact OD1-CB 3.24Å; D228-S264 WeakPolarHBondContact OD1-CB 3.49Å; D228-S264 PolarHBondContact OD1-OG 2.73Å; D228-S264 WeakPolarHBondContact OD2-CB 3.2Å; S264-S266 PolarHBondContact O-N 3.14Å; S264-A267 WeakPolarHBondContact O-CA 3.42Å; S264-A267 WeakPolarHBondContact O-CB 3.31Å; S264-A267 PolarHBondContact O-N 3.38Å; S264-T268 PolarHBondContact O-N 3.27Å; S264-T268 PolarHBondContact O-OG1 3.42Å; S264-T268 VanDerWaalsContact O-OG1 3.05Å; S264-S297 WeakPolarHBondContact CB-O 3.27Å; S264-N299 PolarHBondContact OG-N 3.3Å; S264-N299 VanDerWaalsContact OG-N 3.09Å; S264-F302 WeakPolarHBondContact OG-CD2 3.39Å
265R98.6Very high97.7Very high18 Ų1810.8 Ų10.87%0.0686%0.059CC..Hα-helixtrans-43.9-58.8-175.6-69.8170.8-72.9-170.7-8.9115.6V207 S208 V226 D228 I234 C259 A267 T268 I269 F302V207-R265 HydrophobicContact CB-CB 4.31Å; V207-R265 HydrophobicContact CG1-CB 3.93Å; V207-R265 VanDerWaalsContact O-CD 3.28Å; V207-R265 WeakPolarHBondContact O-CD 3.35Å; S208-R265 VanDerWaalsContact CB-NH1 3.35Å; V226-R265 HydrophobicContact CG1-CG 4.25Å; V226-R265 WeakPolarHBondContact O-CD 3.47Å; V226-R265 PolarHBondContact O-NH1 3.5Å; D228-R265 HydrophobicContact CB-CG 4.17Å; I234-R265 HydrophobicContact CD1-CB 4.29Å; I234-R265 HydrophobicContact CD1-CG 4.42Å; C259-R265 HydrophobicContact CB-CB 3.77Å; R265-A267 VanDerWaalsContact C-N 3.34Å; R265-A267 PolarHBondContact O-N 2.94Å; R265-T268 WeakPolarHBondContact O-CB 3.34Å; R265-T268 PolarHBondContact O-N 2.91Å; R265-I269 PolarHBondContact O-N 3.33Å; R265-F302 HydrophobicContact CG-CE2 3.63Å; R265-F302 HydrophobicContact CG-CZ 4.26Å
266S98.5Very high97.5Very high0 Ų013.9 Ų13.90%07%0.072CC..Hα-helixtrans-67.2-34-17953.30000112.8L184 H258 C259 G262 S264 I269 C270L184-S266 VanDerWaalsContact CD1-OG 3.25Å; L184-S266 WeakPolarHBondContact CD1-OG 3.46Å; H258-S266 VanDerWaalsContact C-CB 3.5Å; C259-S266 PolarHBondContact SG-OG 3.19Å; G262-S266 WeakPolarHBondContact CA-OG 3.48Å; S264-S266 PolarHBondContact O-N 3.14Å; S266-I269 PolarHBondContact O-N 3.33Å; S266-C270 PolarHBondContact O-N 3.4Å; S266-C270 VanDerWaalsContact O-N 3.11Å; S266-C270 PolarHBondContact O-SG 3.48Å; S266-C270 VanDerWaalsContact O-SG 3.42Å
267A98.5Very high97.1Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-64.9-42.7173.700000110.9L184 I263 S264 R265 I269 C270 L271 I296L184-A267 HydrophobicContact CD2-CB 4.27Å; I263-A267 WeakPolarHBondContact O-CB 3.43Å; S264-A267 WeakPolarHBondContact O-CA 3.42Å; S264-A267 WeakPolarHBondContact O-CB 3.31Å; S264-A267 PolarHBondContact O-N 3.38Å; R265-A267 VanDerWaalsContact C-N 3.34Å; R265-A267 PolarHBondContact O-N 2.94Å; A267-I269 VanDerWaalsContact C-N 3.32Å; A267-I269 PolarHBondContact O-N 2.9Å; A267-C270 WeakPolarHBondContact O-CB 3.4Å; A267-C270 PolarHBondContact O-N 3.14Å; A267-C270 VanDerWaalsContact O-N 3.14Å; A267-L271 VanDerWaalsContact O-CG 3.27Å; A267-L271 WeakPolarHBondContact O-CG 3.3Å; A267-L271 PolarHBondContact O-N 2.78Å; A267-I296 HydrophobicContact CB-CB 3.96Å; A267-I296 HydrophobicContact CB-CG2 3.73Å
268T98.8Very high96.5Very high0 Ų020.4 Ų20.40%010%0.098CC..Hα-helixtrans-54.8-46.5174.9-55.30000111.6I234 F238 S264 R265 C270 L271 A272 F302 L306I234-T268 HydrophobicContact CD1-CG2 4.2Å; I234-T268 HydrophobicContact CG2-CG2 3.91Å; F238-T268 HydrophobicContact CE1-CG2 3.75Å; F238-T268 HydrophobicContact CZ-CG2 3.79Å; S264-T268 PolarHBondContact O-N 3.27Å; S264-T268 PolarHBondContact O-OG1 3.42Å; S264-T268 VanDerWaalsContact O-OG1 3.05Å; R265-T268 WeakPolarHBondContact O-CB 3.34Å; R265-T268 PolarHBondContact O-N 2.91Å; T268-C270 PolarHBondContact O-N 3.39Å; T268-L271 PolarHBondContact O-N 2.81Å; T268-A272 PolarHBondContact O-N 3.5Å; T268-F302 HydrophobicContact CG2-CB 4.04Å; T268-F302 HydrophobicContact CG2-CG 4.46Å; T268-L306 HydrophobicContact CG2-CD1 3.83Å; T268-L306 HydrophobicContact CG2-CD2 3.9Å; T268-L306 HydrophobicContact CG2-CG 3.82Å
269I98.8Very high95.9Very high1 Ų124.1 Ų24.11%0.00511%0.112CC..Hα-helixtrans-61.9-44.6176.4-64.5-56000111.6L205 V207 I234 F238 A241 I245 V257 R265 S266 A267 L271 A272 Y273L205-I269 HydrophobicContact CD2-CG2 3.95Å; V207-I269 HydrophobicContact CG1-CG1 4.05Å; V207-I269 HydrophobicContact CG2-CG1 3.95Å; I234-I269 HydrophobicContact CD1-CD1 4.21Å; I234-I269 HydrophobicContact CD1-CG1 4.39Å; I234-I269 HydrophobicContact CG1-CD1 4.14Å; F238-I269 HydrophobicContact CD1-CD1 3.82Å; F238-I269 HydrophobicContact CE1-CD1 4.11Å; A241-I269 HydrophobicContact CB-CD1 4.01Å; A241-I269 HydrophobicContact CB-CG2 3.74Å; I245-I269 HydrophobicContact CD1-CG2 4.14Å; V257-I269 HydrophobicContact CG1-CB 4.11Å; V257-I269 HydrophobicContact CG1-CG2 4Å; R265-I269 PolarHBondContact O-N 3.33Å; S266-I269 PolarHBondContact O-N 3.33Å; A267-I269 VanDerWaalsContact C-N 3.32Å; A267-I269 PolarHBondContact O-N 2.9Å; I269-L271 VanDerWaalsContact C-N 3.31Å; I269-L271 PolarHBondContact O-N 3.04Å; I269-A272 PolarHBondContact O-N 3.14Å; I269-Y273 WeakPolarHBondContact O-CB 3.41Å; I269-Y273 PolarHBondContact O-N 2.79Å
270C98.8Very high95.4Very high0 Ų024.3 Ų24.30%011%0.113CC..Hα-helixtrans-60.2-40.3176.2-71.50000112.4S266 A267 T268 Y273 L274S266-C270 PolarHBondContact O-N 3.4Å; S266-C270 VanDerWaalsContact O-N 3.11Å; S266-C270 PolarHBondContact O-SG 3.48Å; S266-C270 VanDerWaalsContact O-SG 3.42Å; A267-C270 WeakPolarHBondContact O-CB 3.4Å; A267-C270 PolarHBondContact O-N 3.14Å; A267-C270 VanDerWaalsContact O-N 3.14Å; T268-C270 PolarHBondContact O-N 3.39Å; C270-Y273 PolarHBondContact O-N 3.4Å; C270-L274 WeakPolarHBondContact O-CG 3.43Å; C270-L274 PolarHBondContact O-N 3.02Å
271L98.7Very high95.2Very high0 Ų024 Ų240%011%0.107CC..Hα-helixtrans-65.6-46.7176.8-65.1171.1000111.6A267 T268 I269 Y273 L274 M275 L282 A285 F286 V289 P298 L306A267-L271 VanDerWaalsContact O-CG 3.27Å; A267-L271 WeakPolarHBondContact O-CG 3.3Å; A267-L271 PolarHBondContact O-N 2.78Å; T268-L271 PolarHBondContact O-N 2.81Å; I269-L271 VanDerWaalsContact C-N 3.31Å; I269-L271 PolarHBondContact O-N 3.04Å; L271-Y273 VanDerWaalsContact C-N 3.28Å; L271-Y273 PolarHBondContact O-N 3.04Å; L271-L274 PolarHBondContact O-N 2.91Å; L271-M275 WeakPolarHBondContact O-CG 3.41Å; L271-M275 PolarHBondContact O-N 3.38Å; L271-L282 HydrophobicContact CB-CD1 4.4Å; L271-L282 HydrophobicContact CD1-CD1 4.42Å; L271-A285 HydrophobicContact CD2-CB 3.86Å; L271-A285 WeakPolarHBondContact CD2-O 3.41Å; L271-F286 HydrophobicContact CD1-CD2 3.98Å; L271-F286 VanDerWaalsContact CD2-CA 3.48Å; L271-F286 HydrophobicContact CD2-CB 4.27Å; L271-V289 HydrophobicContact CD2-CB 4.25Å; L271-V289 HydrophobicContact CD2-CG2 3.84Å; L271-P298 HydrophobicContact CD1-CG 3.91Å; L271-L306 HydrophobicContact CB-CD1 4.2Å; L271-L306 HydrophobicContact CB-CD2 4.1Å; L271-L306 HydrophobicContact CD1-CD1 3.79Å
272A98.6Very high95.2Very high1 Ų122.3 Ų22.31%0.0089%0.093CC..Hα-helixtrans-57.4-43.1174.900000111.4F238 T268 I269 M275 K276 L306 F309F238-A272 HydrophobicContact CB-CB 4.3Å; F238-A272 HydrophobicContact CD1-CB 3.8Å; F238-A272 HydrophobicContact CD2-CB 4Å; F238-A272 HydrophobicContact CE1-CB 4.05Å; F238-A272 HydrophobicContact CE2-CB 4.23Å; F238-A272 HydrophobicContact CG-CB 3.77Å; F238-A272 HydrophobicContact CZ-CB 4.25Å; T268-A272 PolarHBondContact O-N 3.5Å; I269-A272 PolarHBondContact O-N 3.14Å; A272-M275 PolarHBondContact O-N 3.07Å; A272-K276 WeakPolarHBondContact O-CB 3.47Å; A272-K276 PolarHBondContact O-N 3.28Å; A272-L306 HydrophobicContact CB-CD2 4.04Å; A272-F309 HydrophobicContact CB-CD1 4.1Å; A272-F309 HydrophobicContact CB-CE1 3.84Å
273Y98.6Very high95.1Very high0 Ų026 Ų260%011%0.112CC..Hα-helixtrans-60.6-47.6176.3-176.8-92.9000112.5L179 F181 L182 I242 I245 D246 R249 I269 C270 L271 M275 K276 R277L179-Y273 HydrophobicContact CD1-CD1 4.31Å; L179-Y273 HydrophobicContact CD1-CE1 3.8Å; F181-Y273 AromaticContact CE2-CE1 3.8Å; F181-Y273 HydrophobicContact CE2-CE1 3.8Å; F181-Y273 AromaticContact CE2-CZ 3.68Å; F181-Y273 WeakPolarHBondContact CE2-OH 3.41Å; F181-Y273 AromaticContact CZ-CE1 3.84Å; F181-Y273 HydrophobicContact CZ-CE1 3.84Å; F181-Y273 AromaticContact CZ-CZ 3.88Å; F181-Y273 WeakPolarHBondContact CZ-OH 3.39Å; L182-Y273 HydrophobicContact CD2-CD1 3.63Å; L182-Y273 HydrophobicContact CD2-CE1 4.1Å; L182-Y273 HydrophobicContact CD2-CG 4.25Å; I242-Y273 HydrophobicContact CB-CD2 4.18Å; I242-Y273 HydrophobicContact CG1-CD2 3.95Å; I242-Y273 HydrophobicContact CG2-CD2 3.92Å; I242-Y273 HydrophobicContact CG2-CE2 4.16Å; I245-Y273 HydrophobicContact CB-CD2 3.88Å; I245-Y273 HydrophobicContact CB-CE2 3.7Å; I245-Y273 HydrophobicContact CD1-CD2 3.78Å; I245-Y273 HydrophobicContact CD1-CE2 4.47Å; I245-Y273 HydrophobicContact CD1-CG 4.11Å; I245-Y273 HydrophobicContact CG1-CD2 4.46Å; I245-Y273 HydrophobicContact CG2-CD2 3.71Å; I245-Y273 HydrophobicContact CG2-CE1 4.13Å; I245-Y273 HydrophobicContact CG2-CE2 3.29Å; I245-Y273 HydrophobicContact CG2-CG 4.32Å; D246-Y273 PolarHBondContact OD1-OH 2.59Å; R249-Y273 PolarHBondContact NH1-OH 3.12Å; I269-Y273 WeakPolarHBondContact O-CB 3.41Å; I269-Y273 PolarHBondContact O-N 2.79Å; C270-Y273 PolarHBondContact O-N 3.4Å; L271-Y273 VanDerWaalsContact C-N 3.28Å; L271-Y273 PolarHBondContact O-N 3.04Å; Y273-M275 PolarHBondContact O-N 3.11Å; Y273-K276 PolarHBondContact O-N 3.38Å; Y273-R277 HydrophobicContact CD2-CG 4.07Å; Y273-R277 HydrophobicContact CE1-CB 4.29Å; Y273-R277 HydrophobicContact CE1-CG 4.45Å; Y273-R277 HydrophobicContact CE2-CB 4.33Å; Y273-R277 HydrophobicContact CE2-CG 3.62Å; Y273-R277 WeakPolarHBondContact O-CB 3.49Å; Y273-R277 PolarHBondContact O-N 3.06Å
274L96.9Very high94.9Very high0 Ų026.5 Ų26.50%011%0.113CC..Iπ-helixtrans-60.3-46.1177.4-70.5172.9000111.4I178 L179 C270 L271 K276 K278 R279 V280 A285 F288 V289I178-L274 HydrophobicContact CG2-CD1 4.21Å; L179-L274 HydrophobicContact CD1-CD2 4.03Å; L179-L274 HydrophobicContact CD2-CD2 4.31Å; L179-L274 HydrophobicContact CG-CD2 4.3Å; C270-L274 WeakPolarHBondContact O-CG 3.43Å; C270-L274 PolarHBondContact O-N 3.02Å; L271-L274 PolarHBondContact O-N 2.91Å; L274-K276 PolarHBondContact O-N 3.4Å; L274-K278 HydrophobicContact CD2-CG 4.03Å; L274-K278 CarbonylContact O-C 3.53Å; L274-K278 VanDerWaalsContact O-CA 3.24Å; L274-K278 WeakPolarHBondContact O-CA 3.47Å; L274-K278 WeakPolarHBondContact O-CB 3.44Å; L274-K278 PolarHBondContact O-N 3.41Å; L274-R279 PolarHBondContact O-N 3.3Å; L274-V280 HydrophobicContact CB-CG2 4.02Å; L274-A285 HydrophobicContact CB-CB 4Å; L274-A285 HydrophobicContact CD1-CB 4.14Å; L274-F288 HydrophobicContact CD1-CD1 3.88Å; L274-F288 HydrophobicContact CD1-CE1 4.4Å; L274-V289 HydrophobicContact CD1-CG2 3.61Å
275M95.4Very high94.8Very high0 Ų026.4 Ų26.40%011%0.113CC..Iπ-helixtrans-61.6-46.8177.4-67.7-171-72.600112.1L271 A272 Y273 R279 V280 L282 A285 L306 F309 E310 V313L271-M275 WeakPolarHBondContact O-CG 3.41Å; L271-M275 PolarHBondContact O-N 3.38Å; A272-M275 PolarHBondContact O-N 3.07Å; Y273-M275 PolarHBondContact O-N 3.11Å; M275-R279 WeakPolarHBondContact O-CA 3.49Å; M275-R279 PolarHBondContact O-N 3.09Å; M275-R279 VanDerWaalsContact O-N 3.08Å; M275-V280 WeakPolarHBondContact CA-O 3.3Å; M275-V280 WeakPolarHBondContact CG-O 3.12Å; M275-L282 HydrophobicContact CE-CD1 3.99Å; M275-L282 HydrophobicContact SD-CB 3.65Å; M275-L282 HydrophobicContact SD-CD1 4.02Å; M275-L282 HydrophobicContact SD-CG 4.37Å; M275-A285 HydrophobicContact CG-CB 4.42Å; M275-L306 HydrophobicContact CE-CB 4.16Å; M275-L306 HydrophobicContact CE-CD2 3.53Å; M275-L306 HydrophobicContact CE-CG 4.44Å; M275-F309 HydrophobicContact CE-CD1 3.99Å; M275-E310 HydrophobicContact SD-CB 3.68Å; M275-E310 HydrophobicContact SD-CG 4.02Å; M275-V313 HydrophobicContact CB-CG2 4.23Å
276K93.9Very high94.6Very high66 Ų6627.5 Ų27.529%0.28712%0.118SC..Iπ-helixtrans-68.1-50.9-177.5-179.170.1174.5-167.60112.7I242 A272 Y273 L274 F309 V313I242-K276 HydrophobicContact CD1-CB 3.66Å; I242-K276 HydrophobicContact CD1-CG 3.93Å; I242-K276 HydrophobicContact CG2-CG 4.27Å; A272-K276 WeakPolarHBondContact O-CB 3.47Å; A272-K276 PolarHBondContact O-N 3.28Å; Y273-K276 PolarHBondContact O-N 3.38Å; L274-K276 PolarHBondContact O-N 3.4Å; K276-F309 HydrophobicContact CB-CE1 4.24Å; K276-F309 HydrophobicContact CB-CZ 4.23Å; K276-F309 HydrophobicContact CD-CZ 4.42Å; K276-V313 HydrophobicContact CD-CB 4.01Å; K276-V313 HydrophobicContact CD-CG1 3.64Å
277R91.1Very high94.3Very high96 Ų9630.2 Ų30.236%0.36213%0.131SC..Iπ-helixtrans-91.6-31.3-170.2-66-58.8-176.6-147.5-2.4113.3I242 D246 Y273I242-R277 HydrophobicContact CG2-CG 3.98Å; D246-R277 IonicContact OD1-NE 3.65Å; D246-R277 PolarHBondContact OD1-NE 3.27Å; D246-R277 IonicContact OD2-CZ 3.81Å; D246-R277 IonicContact OD2-NE 3.71Å; D246-R277 PolarHBondContact OD2-NE 3.37Å; D246-R277 IonicContact OD2-NH2 3.87Å; D246-R277 PolarHBondContact OD2-NH2 3.17Å; Y273-R277 HydrophobicContact CD2-CG 4.07Å; Y273-R277 HydrophobicContact CE1-CB 4.29Å; Y273-R277 HydrophobicContact CE1-CG 4.45Å; Y273-R277 HydrophobicContact CE2-CB 4.33Å; Y273-R277 HydrophobicContact CE2-CG 3.62Å; Y273-R277 WeakPolarHBondContact O-CB 3.49Å; Y273-R277 PolarHBondContact O-N 3.06Å
278K86.3Confident94.1Very high41 Ų4130.6 Ų30.618%0.17813%0.132CC..Iπ-helixtrans-102.2-6.2-180-50.4-56.6-171.6171.70113F38 L274 V280F38-K278 HydrophobicContact CD1-CB 3.55Å; F38-K278 HydrophobicContact CD1-CD 3.87Å; F38-K278 HydrophobicContact CD1-CG 3.68Å; F38-K278 HydrophobicContact CD2-CD 4.07Å; F38-K278 HydrophobicContact CE1-CB 3.8Å; F38-K278 HydrophobicContact CE1-CD 3.41Å; F38-K278 VanDerWaalsContact CE1-CD 3.41Å; F38-K278 HydrophobicContact CE1-CG 3.34Å; F38-K278 HydrophobicContact CE2-CD 3.63Å; F38-K278 HydrophobicContact CE2-CG 4.47Å; F38-K278 HydrophobicContact CG-CB 4.1Å; F38-K278 HydrophobicContact CG-CD 4.19Å; F38-K278 HydrophobicContact CG-CG 4.39Å; F38-K278 HydrophobicContact CZ-CD 3.29Å; F38-K278 HydrophobicContact CZ-CG 3.8Å; L274-K278 HydrophobicContact CD2-CG 4.03Å; L274-K278 CarbonylContact O-C 3.53Å; L274-K278 VanDerWaalsContact O-CA 3.24Å; L274-K278 WeakPolarHBondContact O-CA 3.47Å; L274-K278 WeakPolarHBondContact O-CB 3.44Å; L274-K278 PolarHBondContact O-N 3.41Å; K278-V280 HydrophobicContact CB-CG1 4.42Å; K278-V280 HydrophobicContact CB-CG2 4.46Å; K278-V280 PolarHBondContact O-N 2.9Å
279R85.8Confident93.9Very high79 Ų7930.6 Ų30.630%0.29813%0.132SC..  trans55.139172-57.3-69.8-148.581.57.2111.2N55 I57 L274 M275N55-R279 WeakPolarHBondContact ND2-CB 3.23Å; N55-R279 PolarHBondContact ND2-O 3.32Å; I57-R279 HydrophobicContact CD1-CB 4.4Å; I57-R279 WeakPolarHBondContact CD1-O 3.28Å; L274-R279 PolarHBondContact O-N 3.3Å; M275-R279 WeakPolarHBondContact O-CA 3.49Å; M275-R279 PolarHBondContact O-N 3.09Å; M275-R279 VanDerWaalsContact O-N 3.08Å
280V86.3Confident93.5Very high6 Ų635.8 Ų35.84%0.03615%0.152CC..  trans-98.2157.9173.3-66.10000109.1L39 L274 M275 K278 E284 A285L39-V280 HydrophobicContact CD1-CB 4.38Å; L39-V280 HydrophobicContact CD1-CG1 4.1Å; L39-V280 HydrophobicContact CD2-CG1 4.25Å; L39-V280 HydrophobicContact CG-CG1 3.95Å; L274-V280 HydrophobicContact CB-CG2 4.02Å; M275-V280 WeakPolarHBondContact CA-O 3.3Å; M275-V280 WeakPolarHBondContact CG-O 3.12Å; K278-V280 HydrophobicContact CB-CG1 4.42Å; K278-V280 HydrophobicContact CB-CG2 4.46Å; K278-V280 PolarHBondContact O-N 2.9Å; V280-E284 HydrophobicContact CB-CB 4.39Å; V280-A285 HydrophobicContact CG2-CB 3.97Å
281R91.4Very high93.1Very high96 Ų9645.2 Ų45.236%0.36219%0.188SC..  trans-72.9162.6174.3-70.9169.948127.40.4111.8D283 E284 A285 E310 L314R281-D283 WeakPolarHBondContact CB-OD1 3.25Å; R281-D283 IonicContact CZ-OD1 3.48Å; R281-D283 IonicContact CZ-OD2 3.72Å; R281-D283 IonicContact NE-OD1 2.94Å; R281-D283 PolarHBondContact NE-OD1 3.46Å; R281-D283 IonicContact NE-OD2 3.64Å; R281-D283 PolarHBondContact NE-OD2 3.09Å; R281-D283 IonicContact NH2-OD1 2.73Å; R281-D283 IonicContact NH2-OD2 3.04Å; R281-D283 PolarHBondContact NH2-OD2 3Å; R281-E284 HydrophobicContact CB-CB 4.48Å; R281-E284 HydrophobicContact CB-CG 4.29Å; R281-E284 PolarHBondContact O-N 3.5Å; R281-A285 WeakPolarHBondContact O-CB 3.44Å; R281-A285 PolarHBondContact O-N 3.23Å; R281-E310 WeakPolarHBondContact CA-OE1 3.48Å; R281-E310 WeakPolarHBondContact CB-OE1 3.49Å; R281-L314 HydrophobicContact CG-CD1 4.41Å
282L95.9Very high92.8Very high8 Ų848.1 Ų48.14%0.04220%0.199CC..Hα-helixtrans-61.6-44.9179.8177.755.5000112.1L271 M275 E284 A285 F286 M303 L306 L307 E310L271-L282 HydrophobicContact CB-CD1 4.4Å; L271-L282 HydrophobicContact CD1-CD1 4.42Å; M275-L282 HydrophobicContact CE-CD1 3.99Å; M275-L282 HydrophobicContact SD-CB 3.65Å; M275-L282 HydrophobicContact SD-CD1 4.02Å; M275-L282 HydrophobicContact SD-CG 4.37Å; L282-E284 PolarHBondContact O-N 3.23Å; L282-A285 PolarHBondContact O-N 2.88Å; L282-F286 WeakPolarHBondContact O-CB 3.33Å; L282-F286 PolarHBondContact O-N 3.3Å; L282-M303 HydrophobicContact CD2-SD 3.8Å; L282-M303 HydrophobicContact CG-SD 4.38Å; L282-L306 HydrophobicContact CD1-CB 3.88Å; L282-L306 HydrophobicContact CD1-CD1 3.98Å; L282-L306 HydrophobicContact CD1-CG 4.38Å; L282-L306 HydrophobicContact CD2-CB 3.72Å; L282-L306 HydrophobicContact CG-CB 4.46Å; L282-L307 HydrophobicContact CD2-CD2 3.69Å; L282-L307 HydrophobicContact CD2-CG 3.72Å; L282-E310 PolarHBondContact N-OE1 3.08Å
283D93.7Very high92.5Very high77 Ų7748.9 Ų48.941%0.41220%0.201SC..Hα-helixtrans-59.7-45.2177.453.4-7.6000111.8R281 F286 E287R281-D283 WeakPolarHBondContact CB-OD1 3.25Å; R281-D283 IonicContact CZ-OD1 3.48Å; R281-D283 IonicContact CZ-OD2 3.72Å; R281-D283 IonicContact NE-OD1 2.94Å; R281-D283 PolarHBondContact NE-OD1 3.46Å; R281-D283 IonicContact NE-OD2 3.64Å; R281-D283 PolarHBondContact NE-OD2 3.09Å; R281-D283 IonicContact NH2-OD1 2.73Å; R281-D283 IonicContact NH2-OD2 3.04Å; R281-D283 PolarHBondContact NH2-OD2 3Å; D283-F286 PolarHBondContact O-N 2.84Å; D283-E287 WeakPolarHBondContact O-CG 3.48Å; D283-E287 PolarHBondContact O-N 3.15Å
284E90.3Very high92.2Very high66 Ų6653.5 Ų53.531%0.30823%0.234SC..Hα-helixtrans-62.9-46.6175.5-67.3177.8-147.800112.3L39 V280 R281 L282 F286 F288L39-E284 HydrophobicContact CD1-CB 3.73Å; L39-E284 WeakPolarHBondContact CD1-O 3.48Å; V280-E284 HydrophobicContact CB-CB 4.39Å; R281-E284 HydrophobicContact CB-CB 4.48Å; R281-E284 HydrophobicContact CB-CG 4.29Å; R281-E284 PolarHBondContact O-N 3.5Å; L282-E284 PolarHBondContact O-N 3.23Å; E284-F286 VanDerWaalsContact C-N 3.34Å; E284-F286 PolarHBondContact O-N 3.41Å; E284-F288 WeakPolarHBondContact O-CB 3.39Å; E284-F288 PolarHBondContact O-N 2.97Å; E284-F288 VanDerWaalsContact O-N 3.07Å
285A95.9Very high91.9Very high0 Ų055.1 Ų55.10%024%0.242CC..Hα-helixtrans-62.2-42.6177.100000111.5L271 L274 M275 V280 R281 L282 F288 V289L271-A285 HydrophobicContact CD2-CB 3.86Å; L271-A285 WeakPolarHBondContact CD2-O 3.41Å; L274-A285 HydrophobicContact CB-CB 4Å; L274-A285 HydrophobicContact CD1-CB 4.14Å; M275-A285 HydrophobicContact CG-CB 4.42Å; V280-A285 HydrophobicContact CG2-CB 3.97Å; R281-A285 WeakPolarHBondContact O-CB 3.44Å; R281-A285 PolarHBondContact O-N 3.23Å; L282-A285 PolarHBondContact O-N 2.88Å; A285-F288 PolarHBondContact O-N 2.97Å; A285-V289 WeakPolarHBondContact O-CG2 3.21Å; A285-V289 PolarHBondContact O-N 3.07Å
286F95.5Very high92Very high40 Ų4055.5 Ų55.518%0.17524%0.244CC..Hα-helixtrans-60.8-50.7179.5-173.8-91.9000111.1L271 L282 D283 E284 F288 V289 R290 I296 P298 M303L271-F286 HydrophobicContact CD1-CD2 3.98Å; L271-F286 VanDerWaalsContact CD2-CA 3.48Å; L271-F286 HydrophobicContact CD2-CB 4.27Å; L282-F286 WeakPolarHBondContact O-CB 3.33Å; L282-F286 PolarHBondContact O-N 3.3Å; D283-F286 PolarHBondContact O-N 2.84Å; E284-F286 VanDerWaalsContact C-N 3.34Å; E284-F286 PolarHBondContact O-N 3.41Å; F286-F288 VanDerWaalsContact C-N 3.3Å; F286-F288 PolarHBondContact O-N 2.99Å; F286-V289 PolarHBondContact O-N 3.48Å; F286-R290 WeakPolarHBondContact O-CB 3.31Å; F286-R290 PolarHBondContact O-N 3.17Å; F286-I296 HydrophobicContact CD2-CD1 3.99Å; F286-I296 HydrophobicContact CE2-CD1 3.84Å; F286-I296 HydrophobicContact CZ-CD1 4.28Å; F286-P298 HydrophobicContact CE2-CG 4.42Å; F286-M303 HydrophobicContact CD2-CE 3.95Å; F286-M303 HydrophobicContact CE2-CE 3.87Å
287E92.3Very high92.1Very high58 Ų5856 Ų5627%0.27126%0.256SS..Hα-helixtrans-60.4-39.7177-74.3-55.4114.600112.6D283 R290 R291D283-E287 WeakPolarHBondContact O-CG 3.48Å; D283-E287 PolarHBondContact O-N 3.15Å; E287-R290 PolarHBondContact O-N 2.81Å; E287-R290 IonicContact OE1-CZ 3.89Å; E287-R290 IonicContact OE1-NE 3.21Å; E287-R290 PolarHBondContact OE1-NE 3.45Å; E287-R290 VanDerWaalsContact OE1-NE 3.08Å; E287-R290 IonicContact OE1-NH1 3.83Å; E287-R290 IonicContact OE1-NH2 2.84Å; E287-R290 PolarHBondContact OE1-NH2 2.86Å; E287-R290 IonicContact OE2-CZ 2.79Å; E287-R290 IonicContact OE2-NE 3.16Å; E287-R290 IonicContact OE2-NH2 3.74Å; E287-R290 PolarHBondContact OE2-NH2 3.24Å; E287-R291 VanDerWaalsContact O-CG 3.31Å; E287-R291 WeakPolarHBondContact O-CG 3.35Å; E287-R291 PolarHBondContact O-N 3.03Å
288F92.6Very high92.4Very high8 Ų851.9 Ų51.94%0.03524%0.241CC..Hα-helixtrans-63.9-42.9179.4178-95.8000113.3L39 I178 L179 L274 E284 A285 F286 R292L39-F288 HydrophobicContact CB-CD2 3.7Å; L39-F288 HydrophobicContact CB-CE2 4.12Å; L39-F288 HydrophobicContact CB-CG 4.43Å; L39-F288 HydrophobicContact CD1-CB 4.02Å; L39-F288 HydrophobicContact CD2-CB 3.92Å; L39-F288 HydrophobicContact CD2-CD1 3.99Å; L39-F288 HydrophobicContact CD2-CD2 3.59Å; L39-F288 HydrophobicContact CD2-CE1 4.34Å; L39-F288 HydrophobicContact CD2-CE2 3.95Å; L39-F288 HydrophobicContact CD2-CG 3.58Å; L39-F288 HydrophobicContact CD2-CZ 4.31Å; L39-F288 HydrophobicContact CG-CB 4.4Å; L39-F288 HydrophobicContact CG-CD2 4.09Å; L39-F288 HydrophobicContact CG-CG 4.35Å; I178-F288 HydrophobicContact CG2-CD1 4.3Å; I178-F288 HydrophobicContact CG2-CE1 3.85Å; I178-F288 VanDerWaalsContact O-CE1 3.27Å; I178-F288 WeakPolarHBondContact O-CE1 3.47Å; I178-F288 WeakPolarHBondContact O-CZ 3.32Å; L179-F288 HydrophobicContact CD2-CE1 4.46Å; L179-F288 HydrophobicContact CD2-CZ 4.38Å; L274-F288 HydrophobicContact CD1-CD1 3.88Å; L274-F288 HydrophobicContact CD1-CE1 4.4Å; E284-F288 WeakPolarHBondContact O-CB 3.39Å; E284-F288 PolarHBondContact O-N 2.97Å; E284-F288 VanDerWaalsContact O-N 3.07Å; A285-F288 PolarHBondContact O-N 2.97Å; F286-F288 VanDerWaalsContact C-N 3.3Å; F286-F288 PolarHBondContact O-N 2.99Å; F288-R292 VanDerWaalsContact CE2-NH2 3.25Å; F288-R292 VanDerWaalsContact CZ-NH1 3.34Å; F288-R292 VanDerWaalsContact CZ-NH2 3.25Å; F288-R292 PolarHBondContact O-NH1 3.22Å; F288-R292 VanDerWaalsContact O-NH1 3.14Å
289V95.1Very high92.9Very high0 Ų051.4 Ų51.40%024%0.241CC..Hα-helixtrans-72.4-41.6176.6-1800000110.1I178 L184 L271 L274 A285 F286 R291 R292 R293 I296I178-V289 HydrophobicContact CD1-CG1 3.96Å; I178-V289 HydrophobicContact CD1-CG2 4.46Å; I178-V289 HydrophobicContact CG2-CG2 4.18Å; L184-V289 HydrophobicContact CD2-CG1 3.71Å; L271-V289 HydrophobicContact CD2-CB 4.25Å; L271-V289 HydrophobicContact CD2-CG2 3.84Å; L274-V289 HydrophobicContact CD1-CG2 3.61Å; A285-V289 WeakPolarHBondContact O-CG2 3.21Å; A285-V289 PolarHBondContact O-N 3.07Å; F286-V289 PolarHBondContact O-N 3.48Å; V289-R291 VanDerWaalsContact C-N 3.33Å; V289-R291 PolarHBondContact O-N 3.25Å; V289-R292 WeakPolarHBondContact O-CA 3.21Å; V289-R292 WeakPolarHBondContact O-CB 3.06Å; V289-R292 PolarHBondContact O-N 3.3Å; V289-R293 PolarHBondContact O-N 3.35Å; V289-I296 HydrophobicContact CB-CD1 3.83Å; V289-I296 HydrophobicContact CG1-CD1 3.7Å; V289-I296 HydrophobicContact CG1-CG1 4.34Å; V289-I296 HydrophobicContact CG1-CG2 4.03Å
290R91.5Very high93.3Very high109 Ų10956.7 Ų56.741%0.41127%0.266SS..Hα-helixtrans-60.2-38.4178.9-171.2175.571.4157.35.2112.9F286 E287 R292 R293 S294 I296F286-R290 WeakPolarHBondContact O-CB 3.31Å; F286-R290 PolarHBondContact O-N 3.17Å; E287-R290 PolarHBondContact O-N 2.81Å; E287-R290 IonicContact OE1-CZ 3.89Å; E287-R290 IonicContact OE1-NE 3.21Å; E287-R290 PolarHBondContact OE1-NE 3.45Å; E287-R290 VanDerWaalsContact OE1-NE 3.08Å; E287-R290 IonicContact OE1-NH1 3.83Å; E287-R290 IonicContact OE1-NH2 2.84Å; E287-R290 PolarHBondContact OE1-NH2 2.86Å; E287-R290 IonicContact OE2-CZ 2.79Å; E287-R290 IonicContact OE2-NE 3.16Å; E287-R290 IonicContact OE2-NH2 3.74Å; E287-R290 PolarHBondContact OE2-NH2 3.24Å; R290-R292 PolarHBondContact O-N 3.06Å; R290-R293 CarbonylContact O-C 3.46Å; R290-R293 PolarHBondContact O-N 2.98Å; R290-S294 WeakPolarHBondContact O-CA 3.35Å; R290-S294 PolarHBondContact O-N 3.25Å; R290-I296 HydrophobicContact CB-CD1 4.11Å; R290-I296 HydrophobicContact CB-CG1 4.03Å; R290-I296 HydrophobicContact CG-CG1 4.4Å
291R90.1Very high93.8Very high199 Ų19958.1 Ų58.175%0.75128%0.276SS*.THydrogen-bonded Turntrans-62.9-24.3174.5-74.2175.9-168.2164.25.1113.5E287 V289E287-R291 VanDerWaalsContact O-CG 3.31Å; E287-R291 WeakPolarHBondContact O-CG 3.35Å; E287-R291 PolarHBondContact O-N 3.03Å; V289-R291 VanDerWaalsContact C-N 3.33Å; V289-R291 PolarHBondContact O-N 3.25Å
292R90.9Very high94.2Very high61 Ų6153.5 Ų53.523%0.2326%0.259CS..THydrogen-bonded Turntrans-94.1-33.8178.5-70.7164.2167.872.83112.5E177 I178 F288 V289 R290E177-R292 WeakPolarHBondContact O-CD 3.41Å; E177-R292 PolarHBondContact O-NE 3.39Å; I178-R292 HydrophobicContact CD1-CB 4.19Å; F288-R292 VanDerWaalsContact CE2-NH2 3.25Å; F288-R292 VanDerWaalsContact CZ-NH1 3.34Å; F288-R292 VanDerWaalsContact CZ-NH2 3.25Å; F288-R292 PolarHBondContact O-NH1 3.22Å; F288-R292 VanDerWaalsContact O-NH1 3.14Å; V289-R292 WeakPolarHBondContact O-CA 3.21Å; V289-R292 WeakPolarHBondContact O-CB 3.06Å; V289-R292 PolarHBondContact O-N 3.3Å; R290-R292 PolarHBondContact O-N 3.06Å
293R92.4Very high94.3Very high16 Ų1655.4 Ų55.46%0.0627%0.268CS..  trans-139.794.1174-175.6167.7-176.783.8-5.5108.8D171 V176 A261 G262 V289 R290 I295 I296D171-R293 IonicContact OD1-CZ 3.53Å; D171-R293 IonicContact OD1-NH1 3.08Å; D171-R293 IonicContact OD1-NH2 3.87Å; D171-R293 PolarHBondContact OD1-NH2 2.87Å; V176-R293 HydrophobicContact CG1-CB 4.36Å; V176-R293 HydrophobicContact CG2-CB 3.84Å; A261-R293 PolarHBondContact O-NH2 3.05Å; A261-R293 VanDerWaalsContact O-NH2 3.09Å; G262-R293 PolarHBondContact O-NE 2.86Å; V289-R293 PolarHBondContact O-N 3.35Å; R290-R293 CarbonylContact O-C 3.46Å; R290-R293 PolarHBondContact O-N 2.98Å; R293-I295 HydrophobicContact CG-CD1 4.37Å; R293-I295 HydrophobicContact CG-CG1 3.63Å; R293-I295 VanDerWaalsContact CZ-CD1 3.45Å; R293-I295 VanDerWaalsContact NH2-CD1 3.31Å; R293-I295 PolarHBondContact O-N 2.84Å; R293-I296 HydrophobicContact CB-CG2 4.13Å; R293-I296 HydrophobicContact CG-CG2 4.06Å; R293-I296 WeakPolarHBondContact O-CG1 3.02Å; R293-I296 WeakPolarHBondContact O-CG2 3.42Å; R293-I296 PolarHBondContact O-N 3.42Å
294S92.1Very high94.5Very high98 Ų9853.5 Ų53.569%0.68527%0.267SS*.THydrogen-bonded Turntrans-59.8-21.7-173.154.10000114.5R290 I296R290-S294 WeakPolarHBondContact O-CA 3.35Å; R290-S294 PolarHBondContact O-N 3.25Å; S294-I296 VanDerWaalsContact C-N 3.32Å; S294-I296 PolarHBondContact O-N 2.73Å
295I92Very high94.8Very high34 Ų3451.3 Ų51.317%0.17426%0.257CS..THydrogen-bonded Turntrans-83.7-4.7-175.168164.8000113.7N170 I263 R293 S297N170-I295 HydrophobicContact CB-CD1 3.72Å; N170-I295 HydrophobicContact CB-CG2 3.95Å; N170-I295 VanDerWaalsContact CG-CG2 3.49Å; N170-I295 VanDerWaalsContact ND2-CG2 3.34Å; N170-I295 WeakPolarHBondContact ND2-CG2 3.43Å; I263-I295 HydrophobicContact CD1-CD1 4.26Å; I263-I295 HydrophobicContact CG1-CD1 3.75Å; I263-I295 HydrophobicContact CG1-CG1 4.16Å; I263-I295 WeakPolarHBondContact CG2-O 3.38Å; R293-I295 HydrophobicContact CG-CD1 4.37Å; R293-I295 HydrophobicContact CG-CG1 3.63Å; R293-I295 VanDerWaalsContact CZ-CD1 3.45Å; R293-I295 VanDerWaalsContact NH2-CD1 3.31Å; R293-I295 PolarHBondContact O-N 2.84Å; I295-S297 PolarHBondContact O-N 2.87Å
296I96.3Very high95Very high7 Ų751.3 Ų51.34%0.03626%0.257CS..  trans-60.2133.1-179.660.8145.7000110.4L184 I263 A267 F286 V289 R290 R293 S294L184-I296 HydrophobicContact CD2-CG2 3.82Å; I263-I296 WeakPolarHBondContact O-CA 3.26Å; A267-I296 HydrophobicContact CB-CB 3.96Å; A267-I296 HydrophobicContact CB-CG2 3.73Å; F286-I296 HydrophobicContact CD2-CD1 3.99Å; F286-I296 HydrophobicContact CE2-CD1 3.84Å; F286-I296 HydrophobicContact CZ-CD1 4.28Å; V289-I296 HydrophobicContact CB-CD1 3.83Å; V289-I296 HydrophobicContact CG1-CD1 3.7Å; V289-I296 HydrophobicContact CG1-CG1 4.34Å; V289-I296 HydrophobicContact CG1-CG2 4.03Å; R290-I296 HydrophobicContact CB-CD1 4.11Å; R290-I296 HydrophobicContact CB-CG1 4.03Å; R290-I296 HydrophobicContact CG-CG1 4.4Å; R293-I296 HydrophobicContact CB-CG2 4.13Å; R293-I296 HydrophobicContact CG-CG2 4.06Å; R293-I296 WeakPolarHBondContact O-CG1 3.02Å; R293-I296 WeakPolarHBondContact O-CG2 3.42Å; R293-I296 PolarHBondContact O-N 3.42Å; S294-I296 VanDerWaalsContact C-N 3.32Å; S294-I296 PolarHBondContact O-N 2.73Å
297S95.9Very high95Very high77 Ų7753.6 Ų53.654%0.53827%0.27SS..  trans-158.280.6-179.5-164.70000107.7I263 S264 I295 N299I263-S297 CarbonylContact O-C 3.38Å; I263-S297 PolarHBondContact O-N 3.36Å; S264-S297 WeakPolarHBondContact CB-O 3.27Å; I295-S297 PolarHBondContact O-N 2.87Å; S297-N299 PolarHBondContact O-N 2.79Å
298P97.6Very high95.2Very high10 Ų1056.3 Ų56.37%0.06528%0.283CS..  trans-50136.8166.7-26.337.2000110L271 F286 F302 M303L271-P298 HydrophobicContact CD1-CG 3.91Å; F286-P298 HydrophobicContact CE2-CG 4.42Å; P298-F302 HydrophobicContact CB-CB 4.35Å; P298-M303 HydrophobicContact CB-CE 4.11Å; P298-M303 HydrophobicContact CG-CE 4.08Å
299N96.8Very high95.4Very high31 Ų3156.5 Ų56.517%0.16628%0.283CS..  trans-60.3158.3173.977.557.8000110.6D228 S264 S297 S301 F302 M303D228-N299 PolarHBondContact OD1-ND2 3.17Å; S264-N299 PolarHBondContact OG-N 3.3Å; S264-N299 VanDerWaalsContact OG-N 3.09Å; S297-N299 PolarHBondContact O-N 2.79Å; N299-S301 VanDerWaalsContact C-N 3.28Å; N299-S301 PolarHBondContact O-N 3.34Å; N299-S301 WeakPolarHBondContact OD1-CA 3.34Å; N299-S301 WeakPolarHBondContact OD1-CB 3.15Å; N299-S301 PolarHBondContact OD1-N 2.89Å; N299-F302 WeakPolarHBondContact ND2-CD2 3.45Å; N299-F302 WeakPolarHBondContact ND2-CE2 3.06Å; N299-F302 VanDerWaalsContact ND2-CG 3.35Å; N299-F302 WeakPolarHBondContact ND2-CG 3.46Å; N299-F302 WeakPolarHBondContact ND2-CZ 3.24Å; N299-F302 PolarHBondContact O-N 2.94Å; N299-F302 VanDerWaalsContact O-N 3.09Å; N299-F302 PolarHBondContact OD1-N 3.38Å; N299-M303 PolarHBondContact O-N 3.37Å
300F94.8Very high95.5Very high190 Ų19057.8 Ų57.883%0.83329%0.29SS*.Hα-helixtrans-60.8-34.3-172.5-171.5-96.6000113.5M303 G304F300-M303 PolarHBondContact O-N 2.97Å; F300-G304 PolarHBondContact O-N 3.47Å
301S97.8Very high95.4Very high35 Ų3556.4 Ų56.425%0.24530%0.296CS..Hα-helixtrans-64.5-46175.5-174.30000110.9H230 N299 M303 G304 Q305H230-S301 WeakPolarHBondContact O-CB 3.03Å; H230-S301 PolarHBondContact O-OG 2.82Å; N299-S301 VanDerWaalsContact C-N 3.28Å; N299-S301 PolarHBondContact O-N 3.34Å; N299-S301 WeakPolarHBondContact OD1-CA 3.34Å; N299-S301 WeakPolarHBondContact OD1-CB 3.15Å; N299-S301 PolarHBondContact OD1-N 2.89Å; S301-M303 VanDerWaalsContact C-N 3.29Å; S301-M303 PolarHBondContact O-N 3.15Å; S301-G304 PolarHBondContact O-N 3.33Å; S301-G304 VanDerWaalsContact O-N 3.15Å; S301-Q305 WeakPolarHBondContact O-CG 3.47Å; S301-Q305 PolarHBondContact O-N 3.29Å; S301-Q305 PolarHBondContact OG-NE2 2.96Å
302F98.4Very high95.5Very high0 Ų051.4 Ų51.40%028%0.282CS..Hα-helixtrans-63.8-34.8175.6-66.2-6.7000112.5V226 E227 E232 I234 S264 R265 T268 P298 N299 Q305 L306V226-F302 HydrophobicContact CG1-CZ 3.92Å; E227-F302 WeakPolarHBondContact O-CZ 3.15Å; E232-F302 HydrophobicContact CB-CE1 3.92Å; E232-F302 HydrophobicContact CB-CZ 4.13Å; I234-F302 HydrophobicContact CB-CD1 4.06Å; I234-F302 HydrophobicContact CB-CE1 3.76Å; I234-F302 HydrophobicContact CB-CZ 4.01Å; I234-F302 HydrophobicContact CD1-CD2 4.32Å; I234-F302 HydrophobicContact CD1-CE2 4.02Å; I234-F302 HydrophobicContact CD1-CZ 4.23Å; I234-F302 HydrophobicContact CG2-CB 4.24Å; I234-F302 HydrophobicContact CG2-CD1 3.3Å; I234-F302 HydrophobicContact CG2-CD2 4.16Å; I234-F302 HydrophobicContact CG2-CE1 3.55Å; I234-F302 HydrophobicContact CG2-CE2 4.38Å; I234-F302 HydrophobicContact CG2-CG 3.64Å; I234-F302 HydrophobicContact CG2-CZ 4.09Å; S264-F302 WeakPolarHBondContact OG-CD2 3.39Å; R265-F302 HydrophobicContact CG-CE2 3.63Å; R265-F302 HydrophobicContact CG-CZ 4.26Å; T268-F302 HydrophobicContact CG2-CB 4.04Å; T268-F302 HydrophobicContact CG2-CG 4.46Å; P298-F302 HydrophobicContact CB-CB 4.35Å; N299-F302 WeakPolarHBondContact ND2-CD2 3.45Å; N299-F302 WeakPolarHBondContact ND2-CE2 3.06Å; N299-F302 VanDerWaalsContact ND2-CG 3.35Å; N299-F302 WeakPolarHBondContact ND2-CG 3.46Å; N299-F302 WeakPolarHBondContact ND2-CZ 3.24Å; N299-F302 PolarHBondContact O-N 2.94Å; N299-F302 VanDerWaalsContact O-N 3.09Å; N299-F302 PolarHBondContact OD1-N 3.38Å; F302-Q305 PolarHBondContact O-N 3.25Å; F302-L306 VanDerWaalsContact O-CG 3.31Å; F302-L306 WeakPolarHBondContact O-CG 3.47Å; F302-L306 PolarHBondContact O-N 2.86Å
303M98Very high95.4Very high47 Ų4749.1 Ų49.123%0.23227%0.274CS..Hα-helixtrans-63-42.8173.3-167.358.370.200111.8L282 F286 P298 N299 F300 S301 L306 L307L282-M303 HydrophobicContact CD2-SD 3.8Å; L282-M303 HydrophobicContact CG-SD 4.38Å; F286-M303 HydrophobicContact CD2-CE 3.95Å; F286-M303 HydrophobicContact CE2-CE 3.87Å; P298-M303 HydrophobicContact CB-CE 4.11Å; P298-M303 HydrophobicContact CG-CE 4.08Å; N299-M303 PolarHBondContact O-N 3.37Å; F300-M303 PolarHBondContact O-N 2.97Å; S301-M303 VanDerWaalsContact C-N 3.29Å; S301-M303 PolarHBondContact O-N 3.15Å; M303-L306 PolarHBondContact O-N 3.43Å; M303-L306 HydrophobicContact SD-CD1 4.42Å; M303-L307 PolarHBondContact O-N 2.67Å
304G97.4Very high94.9Very high37 Ų3749.4 Ų49.438%0.38128%0.277SS..Hα-helixtrans-60.8-43.3173.400000112.7F300 S301 L306 L307 Q308F300-G304 PolarHBondContact O-N 3.47Å; S301-G304 PolarHBondContact O-N 3.33Å; S301-G304 VanDerWaalsContact O-N 3.15Å; G304-L306 VanDerWaalsContact C-N 3.35Å; G304-L306 PolarHBondContact O-N 3.32Å; G304-L307 PolarHBondContact O-N 2.84Å; G304-Q308 PolarHBondContact O-N 3.01Å
305Q98.4Very high94Very high21 Ų2147.5 Ų47.510%0.09827%0.268CS..Hα-helixtrans-62.9-38.6175.5-71.8175.944.700112.5E232 D233 I234 S301 F302 Q308 F309E232-Q305 PolarHBondContact O-NE2 3.11Å; D233-Q305 PolarHBondContact OD1-OE1 3.33Å; I234-Q305 VanDerWaalsContact CG2-OE1 3.29Å; S301-Q305 WeakPolarHBondContact O-CG 3.47Å; S301-Q305 PolarHBondContact O-N 3.29Å; S301-Q305 PolarHBondContact OG-NE2 2.96Å; F302-Q305 PolarHBondContact O-N 3.25Å; Q305-Q308 PolarHBondContact O-N 3.05Å; Q305-F309 WeakPolarHBondContact O-CB 3.4Å; Q305-F309 PolarHBondContact O-N 3.46Å
306L98.4Very high92.3Very high0 Ų050.9 Ų50.90%029%0.29CS..Hα-helixtrans-65.2-40174.6-74.7167.9000112.4F238 T268 L271 A272 M275 L282 F302 M303 G304 Q308 F309 E310F238-L306 HydrophobicContact CE2-CD2 4.13Å; F238-L306 HydrophobicContact CZ-CD2 3.81Å; F238-L306 HydrophobicContact CZ-CG 4.29Å; T268-L306 HydrophobicContact CG2-CD1 3.83Å; T268-L306 HydrophobicContact CG2-CD2 3.9Å; T268-L306 HydrophobicContact CG2-CG 3.82Å; L271-L306 HydrophobicContact CB-CD1 4.2Å; L271-L306 HydrophobicContact CB-CD2 4.1Å; L271-L306 HydrophobicContact CD1-CD1 3.79Å; A272-L306 HydrophobicContact CB-CD2 4.04Å; M275-L306 HydrophobicContact CE-CB 4.16Å; M275-L306 HydrophobicContact CE-CD2 3.53Å; M275-L306 HydrophobicContact CE-CG 4.44Å; L282-L306 HydrophobicContact CD1-CB 3.88Å; L282-L306 HydrophobicContact CD1-CD1 3.98Å; L282-L306 HydrophobicContact CD1-CG 4.38Å; L282-L306 HydrophobicContact CD2-CB 3.72Å; L282-L306 HydrophobicContact CG-CB 4.46Å; F302-L306 VanDerWaalsContact O-CG 3.31Å; F302-L306 WeakPolarHBondContact O-CG 3.47Å; F302-L306 PolarHBondContact O-N 2.86Å; M303-L306 PolarHBondContact O-N 3.43Å; M303-L306 HydrophobicContact SD-CD1 4.42Å; G304-L306 VanDerWaalsContact C-N 3.35Å; G304-L306 PolarHBondContact O-N 3.32Å; L306-Q308 VanDerWaalsContact C-N 3.35Å; L306-F309 PolarHBondContact O-N 3.06Å; L306-E310 WeakPolarHBondContact O-CB 3.5Å; L306-E310 PolarHBondContact O-N 3.09Å
307L96.5Very high90.2Very high87 Ų8752 Ų5246%0.45530%0.298SS..Hα-helixtrans-63.5-40.6175.3-74.4166.3000112L282 M303 G304 S311L282-L307 HydrophobicContact CD2-CD2 3.69Å; L282-L307 HydrophobicContact CD2-CG 3.72Å; M303-L307 PolarHBondContact O-N 2.67Å; G304-L307 PolarHBondContact O-N 2.84Å; L307-S311 PolarHBondContact O-N 3.06Å; L307-S311 VanDerWaalsContact O-N 3.16Å; L307-S311 PolarHBondContact O-OG 3.08Å; L307-S311 VanDerWaalsContact O-OG 3.09Å
308Q96.5Very high87.7Confident115 Ų11551.9 Ų51.954%0.53730%0.297SS..Hα-helixtrans-64.8-44.3174.3-172.7180-4.200111G304 Q305 L306 S311 Q312G304-Q308 PolarHBondContact O-N 3.01Å; Q305-Q308 PolarHBondContact O-N 3.05Å; L306-Q308 VanDerWaalsContact C-N 3.35Å; Q308-S311 WeakPolarHBondContact O-CB 3.33Å; Q308-S311 PolarHBondContact O-N 3.33Å; Q308-Q312 WeakPolarHBondContact O-CG 3.48Å; Q308-Q312 PolarHBondContact O-N 3.31Å; Q308-Q312 VanDerWaalsContact O-N 3.12Å
309F97.4Very high85.1Confident12 Ų1254.7 Ų54.75%0.05332%0.32CS..Hα-helixtrans-64.5-40.2177.7-175.4-113.8000112.5F238 L239 I242 A272 M275 K276 Q305 L306 S311 Q312 V313F238-F309 HydrophobicContact CB-CE1 4.48Å; F238-F309 HydrophobicContact CB-CE2 4.02Å; F238-F309 HydrophobicContact CB-CZ 3.99Å; F238-F309 HydrophobicContact CD2-CB 3.87Å; F238-F309 AromaticContact CD2-CD1 3.77Å; F238-F309 HydrophobicContact CD2-CD1 3.77Å; F238-F309 AromaticContact CD2-CD2 3.65Å; F238-F309 HydrophobicContact CD2-CD2 3.65Å; F238-F309 HydrophobicContact CD2-CE1 4.13Å; F238-F309 AromaticContact CD2-CE2 4Å; F238-F309 HydrophobicContact CD2-CE2 4Å; F238-F309 AromaticContact CD2-CG 3.49Å; F238-F309 HydrophobicContact CD2-CG 3.49Å; F238-F309 VanDerWaalsContact CD2-CG 3.49Å; F238-F309 HydrophobicContact CD2-CZ 4.21Å; F238-F309 HydrophobicContact CE2-CB 3.76Å; F238-F309 HydrophobicContact CE2-CD1 4.17Å; F238-F309 HydrophobicContact CE2-CD2 4.42Å; F238-F309 AromaticContact CE2-CG 3.89Å; F238-F309 HydrophobicContact CE2-CG 3.89Å; L239-F309 HydrophobicContact CD2-CE2 4.28Å; L239-F309 HydrophobicContact CD2-CZ 4.4Å; I242-F309 HydrophobicContact CD1-CE1 4.29Å; I242-F309 HydrophobicContact CD1-CZ 3.91Å; A272-F309 HydrophobicContact CB-CD1 4.1Å; A272-F309 HydrophobicContact CB-CE1 3.84Å; M275-F309 HydrophobicContact CE-CD1 3.99Å; K276-F309 HydrophobicContact CB-CE1 4.24Å; K276-F309 HydrophobicContact CB-CZ 4.23Å; K276-F309 HydrophobicContact CD-CZ 4.42Å; Q305-F309 WeakPolarHBondContact O-CB 3.4Å; Q305-F309 PolarHBondContact O-N 3.46Å; L306-F309 PolarHBondContact O-N 3.06Å; F309-S311 VanDerWaalsContact C-N 3.3Å; F309-S311 PolarHBondContact O-N 3.5Å; F309-Q312 WeakPolarHBondContact O-CB 3.38Å; F309-Q312 PolarHBondContact O-N 2.83Å; F309-Q312 VanDerWaalsContact O-N 3.14Å; F309-V313 HydrophobicContact CD1-CG1 4.1Å; F309-V313 HydrophobicContact CD1-CG2 4.38Å; F309-V313 HydrophobicContact CD2-CG1 3.81Å; F309-V313 HydrophobicContact CE1-CG1 3.69Å; F309-V313 HydrophobicContact CE1-CG2 4.31Å; F309-V313 HydrophobicContact CE2-CG1 3.39Å; F309-V313 HydrophobicContact CG-CG1 4.17Å; F309-V313 HydrophobicContact CZ-CG1 3.35Å; F309-V313 WeakPolarHBondContact O-CG2 3.39Å; F309-V313 PolarHBondContact O-N 3.08Å
310E95.4Very high82.5Confident28 Ų2856.5 Ų56.513%0.13134%0.34CS..Hα-helixtrans-53-50.7172.3-177.2-175.9-141.300110.4M275 R281 L282 L306 Q312 V313 L314M275-E310 HydrophobicContact SD-CB 3.68Å; M275-E310 HydrophobicContact SD-CG 4.02Å; R281-E310 WeakPolarHBondContact CA-OE1 3.48Å; R281-E310 WeakPolarHBondContact CB-OE1 3.49Å; L282-E310 PolarHBondContact N-OE1 3.08Å; L306-E310 WeakPolarHBondContact O-CB 3.5Å; L306-E310 PolarHBondContact O-N 3.09Å; E310-Q312 VanDerWaalsContact C-N 3.26Å; E310-Q312 PolarHBondContact O-N 3.45Å; E310-V313 PolarHBondContact O-N 2.82Å; E310-L314 HydrophobicContact CG-CD1 3.42Å; E310-L314 VanDerWaalsContact CG-CD1 3.42Å; E310-L314 HydrophobicContact CG-CG 4.07Å; E310-L314 VanDerWaalsContact O-CB 3.29Å; E310-L314 WeakPolarHBondContact O-CB 3.4Å; E310-L314 VanDerWaalsContact O-CG 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.07Å; E310-L314 PolarHBondContact O-N 2.94Å
311S90.4Very high79.8Confident79 Ų7952.6 Ų52.655%0.55232%0.324SS*.Hα-helixtrans-58.4-39.9179.6-61.20000111.6L307 Q308 F309 A315L307-S311 PolarHBondContact O-N 3.06Å; L307-S311 VanDerWaalsContact O-N 3.16Å; L307-S311 PolarHBondContact O-OG 3.08Å; L307-S311 VanDerWaalsContact O-OG 3.09Å; Q308-S311 WeakPolarHBondContact O-CB 3.33Å; Q308-S311 PolarHBondContact O-N 3.33Å; F309-S311 VanDerWaalsContact C-N 3.3Å; F309-S311 PolarHBondContact O-N 3.5Å; S311-A315 WeakPolarHBondContact O-CB 3.44Å; S311-A315 PolarHBondContact O-N 3.09Å
312Q91.1Very high77Confident94 Ų9453.8 Ų53.844%0.43934%0.336SS..Hα-helixtrans-66.9-63.2175.6-64.1167.814.900110.8Q308 F309 E310 L314 A315 T316Q308-Q312 WeakPolarHBondContact O-CG 3.48Å; Q308-Q312 PolarHBondContact O-N 3.31Å; Q308-Q312 VanDerWaalsContact O-N 3.12Å; F309-Q312 WeakPolarHBondContact O-CB 3.38Å; F309-Q312 PolarHBondContact O-N 2.83Å; F309-Q312 VanDerWaalsContact O-N 3.14Å; E310-Q312 VanDerWaalsContact C-N 3.26Å; E310-Q312 PolarHBondContact O-N 3.45Å; Q312-L314 VanDerWaalsContact C-N 3.25Å; Q312-L314 PolarHBondContact O-N 2.63Å; Q312-L314 VanDerWaalsContact O-N 3.16Å; Q312-A315 PolarHBondContact O-N 2.9Å; Q312-T316 PolarHBondContact O-N 3.44Å; Q312-T316 PolarHBondContact O-OG1 3.48Å
313V88.9Confident74.5Confident13 Ų1357.4 Ų57.48%0.07937%0.366CS..Hα-helixtrans-68.3-24.1-168.4-57.40000114M275 K276 F309 E310M275-V313 HydrophobicContact CB-CG2 4.23Å; K276-V313 HydrophobicContact CD-CB 4.01Å; K276-V313 HydrophobicContact CD-CG1 3.64Å; F309-V313 HydrophobicContact CD1-CG1 4.1Å; F309-V313 HydrophobicContact CD1-CG2 4.38Å; F309-V313 HydrophobicContact CD2-CG1 3.81Å; F309-V313 HydrophobicContact CE1-CG1 3.69Å; F309-V313 HydrophobicContact CE1-CG2 4.31Å; F309-V313 HydrophobicContact CE2-CG1 3.39Å; F309-V313 HydrophobicContact CG-CG1 4.17Å; F309-V313 HydrophobicContact CZ-CG1 3.35Å; F309-V313 WeakPolarHBondContact O-CG2 3.39Å; F309-V313 PolarHBondContact O-N 3.08Å; E310-V313 PolarHBondContact O-N 2.82Å
314L83.4Confident71.9Confident22 Ų2259 Ų5912%0.11539%0.386CS..Hα-helixtrans-89.9-22.6176.2-49.6-174.8000112.1I57 R61 R281 E310 Q312I57-L314 HydrophobicContact CD1-CB 3.81Å; I57-L314 HydrophobicContact CD1-CD1 3.68Å; I57-L314 HydrophobicContact CD1-CD2 3.36Å; I57-L314 HydrophobicContact CD1-CG 3.75Å; I57-L314 HydrophobicContact CG1-CB 4.09Å; I57-L314 HydrophobicContact CG1-CD1 4.31Å; I57-L314 HydrophobicContact CG1-CG 4.49Å; I57-L314 WeakPolarHBondContact CG2-O 3.33Å; R61-L314 PolarHBondContact NH2-O 3.04Å; R281-L314 HydrophobicContact CG-CD1 4.41Å; E310-L314 HydrophobicContact CG-CD1 3.42Å; E310-L314 VanDerWaalsContact CG-CD1 3.42Å; E310-L314 HydrophobicContact CG-CG 4.07Å; E310-L314 VanDerWaalsContact O-CB 3.29Å; E310-L314 WeakPolarHBondContact O-CB 3.4Å; E310-L314 VanDerWaalsContact O-CG 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.07Å; E310-L314 PolarHBondContact O-N 2.94Å; Q312-L314 VanDerWaalsContact C-N 3.25Å; Q312-L314 PolarHBondContact O-N 2.63Å; Q312-L314 VanDerWaalsContact O-N 3.16Å
315A72.1Confident69.1Low59 Ų5963 Ų6349%0.48840%0.404SS..Hα-helixtrans-87.1-35.5175.100000115S311 Q312 S317 C318S311-A315 WeakPolarHBondContact O-CB 3.44Å; S311-A315 PolarHBondContact O-N 3.09Å; Q312-A315 PolarHBondContact O-N 2.9Å; A315-S317 PolarHBondContact O-N 3.33Å; A315-C318 PolarHBondContact O-N 2.94Å
316T57.3Low66.3Low104 Ų10465.6 Ų65.664%0.63843%0.429SS*.THydrogen-bonded Turntrans-66.614.9-166.2-44.60000116.9Q312Q312-T316 PolarHBondContact O-N 3.44Å; Q312-T316 PolarHBondContact O-OG1 3.48Å
317S52.4Low63.4Low30 Ų3070.6 Ų70.621%0.2146%0.464CS..THydrogen-bonded Turntrans-106.3-3.6172.6-165.50000114.5R61 A315 A319R61-S317 PolarHBondContact NH1-OG 3.31Å; A315-S317 PolarHBondContact O-N 3.33Å; S317-A319 VanDerWaalsContact C-N 3.26Å
318C42.2Very low60.8Low76 Ų7672.3 Ų72.351%0.51448%0.481SS..Hα-helixtrans-71.9-24.4170.1-72.80000111.8A315A315-C318 PolarHBondContact O-N 2.94Å
319A42.8Very low57.9Low68 Ų6875.5 Ų75.556%0.56250%0.5SS*.Hα-helixtrans-90-33.2-174.200000113.8S317 A322 A323S317-A319 VanDerWaalsContact C-N 3.26Å; A319-A322 PolarHBondContact O-N 2.92Å; A319-A323 PolarHBondContact O-N 3.39Å
320A42.8Very low55.1Low70 Ų7083.4 Ų83.458%0.57954%0.542SS*.Hα-helixtrans-70.1-35.4-177.100000113.1A324A320-A324 PolarHBondContact O-N 3.09Å
321E37.2Very low52Low107 Ų10785.2 Ų85.250%0.557%0.568SS.*Hα-helixtrans-75.9-35.5175.3-83.1177.8154.500112.5A323 A324 T325E321-A323 VanDerWaalsContact C-N 3.29Å; E321-A323 PolarHBondContact O-N 3.02Å; E321-A324 PolarHBondContact O-N 3.18Å; E321-A324 VanDerWaalsContact O-N 3.17Å; E321-T325 PolarHBondContact O-N 2.82Å; E321-T325 PolarHBondContact O-OG1 3.24Å
322A40.3Very low49.7Very low60 Ų6087.6 Ų87.650%0.49658%0.582SS.*Hα-helixtrans-65.8-32.2178.400000112.7A319 T325A319-A322 PolarHBondContact O-N 2.92Å; A322-T325 PolarHBondContact O-OG1 3.36Å
323A45.3Very low47Very low77 Ų7792.7 Ų92.764%0.63660%0.602SS**Hα-helixtrans-74.1-28.1174.600000113A319 E321A319-A323 PolarHBondContact O-N 3.39Å; E321-A323 VanDerWaalsContact C-N 3.29Å; E321-A323 PolarHBondContact O-N 3.02Å
324A43.9Very low44.1Very low79 Ų7997.2 Ų97.265%0.65363%0.634SS**Hα-helixtrans-78.8-25.3179.100000113.2A320 E321A320-A324 PolarHBondContact O-N 3.09Å; E321-A324 PolarHBondContact O-N 3.18Å; E321-A324 VanDerWaalsContact O-N 3.17Å
325T37.4Very low41.5Very low121 Ų121102.3 Ų102.374%0.74267%0.667SS**SBendtrans-86.2-7.3178.746.90000114.7E321 A322 S327E321-T325 PolarHBondContact O-N 2.82Å; E321-T325 PolarHBondContact O-OG1 3.24Å; A322-T325 PolarHBondContact O-OG1 3.36Å; T325-S327 PolarHBondContact O-N 3.43Å
326A40.5Very low39.5Very low77 Ų77106 Ų10664%0.63668%0.683SS**  trans-95.772.4178.900000111
327S37.2Very low38.3Very low104 Ų104105 Ų10573%0.72769%0.685SS**PPolyproline II helixtrans-84.6133.1157.4-74.10000109.1T325 L329T325-S327 PolarHBondContact O-N 3.43Å; S327-L329 PolarHBondContact O-N 3.32Å
328P42.6Very low37.1Very low124 Ų124111 Ų11181%0.80572%0.715SS**PPolyproline II helixtrans-74.7125.5179.87.45.9000110.2
329L35.4Very low36.5Very low181 Ų181112.1 Ų112.195%0.94872%0.724SS**PPolyproline II helixtrans-66.6131.7171-83.2162000110.7S327S327-L329 PolarHBondContact O-N 3.32Å
330L38.6Very low35.8Very low179 Ų179113.8 Ų113.894%0.93773%0.731SS**PPolyproline II helixtrans-76.8145.4179.2-117.4111000113.3
331G30.5Very low35.1Very low65 Ų65116.7 Ų116.767%0.6774%0.742SS**  trans149.3155.8143.900000115.3
332P42.3Very low34.7Very low129 Ų129115.9 Ų115.984%0.83875%0.753SS**  cis-130.2157.1-47.736.4-21.4000114.9
333K33Very low34.1Very low202 Ų202119.6 Ų119.688%0.87877%0.77SS**  trans24.5126.2156.3-67.8-177.4176.9178.10122.6
334S28.9Very low33.6Very low107 Ų107121.7 Ų121.775%0.74878%0.775SS**  -176110122.134.40000110.8
335T28.9Very low33.4Very low130 Ų130123.6 Ų123.680%0.79878%0.781SS**  91.9125.210259.70000116.6
336V30.7Very low33.3Very low136 Ų136124.7 Ų124.782%0.82479%0.787SS**  trans96.3113.1147.4-162.70000120.9
337A30.5Very low32.9Very low84 Ų84125.9 Ų125.969%0.69479%0.791SS**  trans72125.5138.200000125.2
338N28.7Very low32.8Very low154 Ų154126.1 Ų126.182%0.82479%0.79SS**  trans78.1128.1130-83.13000124.1
339S29.2Very low32.3Very low100 Ų100129.4 Ų129.470%0.69979%0.792SS**  trans86.9110134.364.70000121.2
340S28.1Very low31.9Very low103 Ų103127.9 Ų127.972%0.7278%0.783SS**  70.6144.7124.763.40000123.1
341T28.4Very low31.5Very low132 Ų132126.8 Ų126.881%0.8177%0.771SS**  trans81.4101.315547.50000121
342A28.2Very low31.3Very low89 Ų89131 Ų13174%0.73678%0.778SS**  46.6146.811700000123.3
343V28.8Very low31Very low138 Ų138132.6 Ų132.684%0.83677%0.773SS**  trans108.4111.2149.4-170.30000117.5
344T33Very low30.8Very low122 Ų122128.3 Ų128.375%0.74877%0.765SS**  trans-56.7155.4157.438.50000112.5
345P39.9Very low31Very low119 Ų119129.6 Ų129.677%0.77377%0.768SS**  -155.7173.463.538-13.9000118.9
346T35.6Very low31.1Very low143 Ų143128.6 Ų128.688%0.87777%0.767SS**  trans-28.2141.4162.833.60000118.2
347S32.2Very low31.1Very low103 Ų103128.1 Ų128.172%0.7276%0.764SS**  trans-147.7142.7159.1178.50000110.9
348P36.2Very low31.1Very low109 Ų109130.7 Ų130.771%0.70877%0.771SS**  trans-85.5133.9179.833.9-31000111.5I350P348-I350 PolarHBondContact O-N 2.85Å
349F30.6Very low31Very low192 Ų192130.2 Ų130.284%0.84277%0.768SS**  trans-81.5100.8174.3-83.8-85.7000110.8F351F349-F351 HydrophobicContact CD1-CE2 4.34Å
350I27.8Very low31.3Very low150 Ų150131 Ų13177%0.76977%0.77SS**  trans-89.8118.6158.2-64.3179.2000106.8P348P348-I350 PolarHBondContact O-N 2.85Å
351F29.8Very low31.3Very low155 Ų155129.8 Ų129.868%0.6877%0.767SS**  trans-95.7106.9170.9-109.8-81000109.5F349 F353F349-F351 HydrophobicContact CD1-CE2 4.34Å; F351-F353 AromaticContact CD1-CD2 3.74Å; F351-F353 HydrophobicContact CD1-CD2 3.74Å; F351-F353 AromaticContact CD1-CE2 3.28Å; F351-F353 HydrophobicContact CD1-CE2 3.28Å; F351-F353 HydrophobicContact CD1-CZ 4.01Å; F351-F353 HydrophobicContact CE1-CD2 4.19Å; F351-F353 AromaticContact CE1-CE2 3.28Å; F351-F353 HydrophobicContact CE1-CE2 3.28Å; F351-F353 AromaticContact CE1-CZ 3.58Å; F351-F353 HydrophobicContact CE1-CZ 3.58Å
352N26.5Very low31.3Very low153 Ų153134.6 Ų134.682%0.81877%0.772SS**  trans-108.7123.8166.5-142.328.8000107.1
353F35.3Very low31.4Very low164 Ų164138.2 Ų138.272%0.71978%0.778SS**  trans-110.1142.2170.3-89.8-72.7000110.5F351F351-F353 AromaticContact CD1-CD2 3.74Å; F351-F353 HydrophobicContact CD1-CD2 3.74Å; F351-F353 AromaticContact CD1-CE2 3.28Å; F351-F353 HydrophobicContact CD1-CE2 3.28Å; F351-F353 HydrophobicContact CD1-CZ 4.01Å; F351-F353 HydrophobicContact CE1-CD2 4.19Å; F351-F353 AromaticContact CE1-CE2 3.28Å; F351-F353 HydrophobicContact CE1-CE2 3.28Å; F351-F353 AromaticContact CE1-CZ 3.58Å; F351-F353 HydrophobicContact CE1-CZ 3.58Å
354P30.4Very low31.5Very low111 Ų111139.7 Ų139.772%0.72178%0.776SS**  trans-77.8138.5-170.131.1-30.6000111.7S356P354-S356 PolarHBondContact O-N 2.89Å
355V31.7Very low31.4Very low134 Ų134141.8 Ų141.881%0.81278%0.776SS**  trans-74.2113.8167.2177.60000108V357V355-V357 PolarHBondContact O-N 3.39Å
356S31.5Very low30.9Very low110 Ų110141.8 Ų141.877%0.76978%0.779SS**  trans-72.9112.1167.9-66.20000109.4P354 V358P354-S356 PolarHBondContact O-N 2.89Å; S356-V358 PolarHBondContact O-N 2.89Å
357V30.5Very low30.9Very low125 Ų125141 Ų14176%0.75878%0.776SS**  trans-66.1121.1171.9179.90000109V355V355-V357 PolarHBondContact O-N 3.39Å
358V31.2Very low31Very low139 Ų139143.5 Ų143.584%0.84278%0.78SS**  trans-94.7115.2165.5-175.80000107.5S356S356-V358 PolarHBondContact O-N 2.89Å
359N27.2Very low30.8Very low144 Ų144144.8 Ų144.877%0.7779%0.786SS**  trans-79.4144.2178.8-143.617.6000110.3
360P33.5Very low30.9Very low115 Ų115140.8 Ų140.875%0.74778%0.778SS**  trans-95.2127.8-174.234.6-26.6000111.4
361A28.5Very low31.1Very low79 Ų79139 Ų13965%0.65378%0.779SS**  trans-155.5152.1162.400000109.8
362Y29.1Very low32.1Very low233 Ų233137.9 Ų137.991%0.91479%0.787SS**  trans92.459-179-43.5-63.7000116.4
363L30.5Very low32.4Very low164 Ų164134.1 Ų134.186%0.85978%0.784SS**  trans-79.1123.7136.9-91.4157.2000107.7
364H30.6Very low32.3Very low170 Ų170136.3 Ų136.379%0.78782%0.818SS**  trans-164.5117.5145.1-95.3-64000111.7
365H30.7Very low32.4Very low165 Ų165137.6 Ų137.676%0.76482%0.823SS**  trans54.8117.8146.6-57.8-52.7000121.9
366S30.4Very low32.4Very low120 Ų120137.8 Ų137.884%0.83982%0.823SS**  trans-108.9132.9145.2-550000108.9
367P35.2Very low32.5Very low125 Ų125139.3 Ų139.381%0.81283%0.826SS**  trans-88.5147.4174.932.5-29.1000112.3
368I33.6Very low32.6Very low157 Ų157140.2 Ų140.281%0.80583%0.83SS**  trans-55.3138.2165.3-67.9161.5000110.2T370I368-T370 HydrophobicContact CG2-CG2 4.41Å
369T32.1Very low32.7Very low136 Ų136140.3 Ų140.383%0.83483%0.829SS**  trans-145.3138153.6-1750000110.8
370T32.7Very low33Very low108 Ų108140 Ų14066%0.66383%0.833SS**  trans-111.1138.5-170.342.60000111.1I368I368-T370 HydrophobicContact CG2-CG2 4.41Å
371S32.4Very low33Very low112 Ų112141.8 Ų141.878%0.78384%0.84SS**  trans73.9169.5144.6-45.60000119.5
372P51Low33.3Very low131 Ų131146.6 Ų146.685%0.85185%0.854SS**  cis-136.7177-8.228.1-4.9000116.9
373G32.9Very low33.7Very low75 Ų75139.4 Ų139.477%0.77385%0.849SS**  trans106.8125.5151.600000115.4
374C32.5Very low34Very low210 Ų210137.2 Ų137.2100%1.41985%0.848SS**  cis-140.1013.9-81.70000110.9

Retrieved 374 of 374 residues in 72.2 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).