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Protein mab-21-like 2

Required for several aspects of embryonic development including normal development of the eye, notochord, neural tube and other organ tissues, and for embryonic turning.

AlphaFold DB , UniProt , Accession Q8BPP1, Species MOUSE (Mus musculus, Mouse), Gene Mab21l2, Length 359 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.8Low90Very high212 Ų21285.8 Ų85.8100%1.04447%0.469SS*.  0-49.40-80.9-173.1-91.600112.7A3 A4 Q5M1-A3 PolarHBondContact O-N 3.48Å; M1-A4 PolarHBondContact O-N 3.28Å; M1-A4 VanDerWaalsContact O-N 3.13Å; M1-Q5 PolarHBondContact O-N 3.07Å
2I81.1Confident90.6Very high142 Ų14278.7 Ų78.773%0.72843%0.43SS*.Hα-helixtrans-51.9-46.3-177.3-59.3168.7000113.6A4 Q5 A6I2-A4 PolarHBondContact O-N 2.97Å; I2-Q5 PolarHBondContact O-N 3.04Å; I2-A6 WeakPolarHBondContact O-CB 3.48Å; I2-A6 PolarHBondContact O-N 3.19Å
3A87.4Confident91.2Very high82 Ų8276.1 Ų76.168%0.67842%0.416SS*.Hα-helixtrans-64-36.4-17900000114M1 K7M1-A3 PolarHBondContact O-N 3.48Å; A3-K7 WeakPolarHBondContact O-CB 3.17Å; A3-K7 PolarHBondContact O-N 3Å
4A90.1Very high91.7Very high69 Ų6975.4 Ų75.457%0.5741%0.407SS*.Hα-helixtrans-71.8-42.5179.200000111.4M1 I2 K7 L8M1-A4 PolarHBondContact O-N 3.28Å; M1-A4 VanDerWaalsContact O-N 3.13Å; I2-A4 PolarHBondContact O-N 2.97Å; A4-K7 PolarHBondContact O-N 3.33Å; A4-L8 PolarHBondContact O-N 3.35Å
5Q89.5Confident92.2Very high71 Ų7170.5 Ų70.533%0.33238%0.38SS..Hα-helixtrans-63-47.1175.9-168.1-174.56.600110.9M1 I2 K7 L8 V9 D298M1-Q5 PolarHBondContact O-N 3.07Å; I2-Q5 PolarHBondContact O-N 3.04Å; Q5-K7 VanDerWaalsContact C-N 3.32Å; Q5-K7 PolarHBondContact O-N 3.45Å; Q5-L8 PolarHBondContact O-N 3.37Å; Q5-L8 VanDerWaalsContact O-N 3.15Å; Q5-V9 WeakPolarHBondContact O-CG2 3.4Å; Q5-V9 PolarHBondContact O-N 3.27Å; Q5-D298 PolarHBondContact NE2-OD2 3.48Å
6A93.3Very high92.6Very high57 Ų5768.7 Ų68.747%0.47137%0.367SS..Hα-helixtrans-59.2-41.7175.800000112.2I2 V9 Y10I2-A6 WeakPolarHBondContact O-CB 3.48Å; I2-A6 PolarHBondContact O-N 3.19Å; A6-V9 PolarHBondContact O-N 2.9Å; A6-Y10 WeakPolarHBondContact O-CB 3.36Å; A6-Y10 PolarHBondContact O-N 3.26Å
7K95.5Very high92.9Very high106 Ų10670.1 Ų70.146%0.46138%0.379SS..Hα-helixtrans-62.6-42.1175.4-173.6-179-179.8-176.20112A3 A4 Q5 Q11A3-K7 WeakPolarHBondContact O-CB 3.17Å; A3-K7 PolarHBondContact O-N 3Å; A4-K7 PolarHBondContact O-N 3.33Å; Q5-K7 VanDerWaalsContact C-N 3.32Å; Q5-K7 PolarHBondContact O-N 3.45Å; K7-Q11 VanDerWaalsContact O-CG 3.29Å; K7-Q11 WeakPolarHBondContact O-CG 3.37Å; K7-Q11 PolarHBondContact O-N 2.64Å; K7-Q11 VanDerWaalsContact O-N 3.1Å
8L96.7Very high93.2Very high14 Ų1471.3 Ų71.37%0.07338%0.381CS..Hα-helixtrans-63.9-48.2176.8177.259.5000111.6A4 Q5 Y10 Q11 L12 I349 P353A4-L8 PolarHBondContact O-N 3.35Å; Q5-L8 PolarHBondContact O-N 3.37Å; Q5-L8 VanDerWaalsContact O-N 3.15Å; L8-Y10 VanDerWaalsContact C-N 3.32Å; L8-Y10 PolarHBondContact O-N 3.34Å; L8-Q11 PolarHBondContact O-N 2.69Å; L8-L12 HydrophobicContact CD1-CD1 3.87Å; L8-L12 HydrophobicContact CD1-CG 4Å; L8-L12 HydrophobicContact CG-CD1 3.88Å; L8-L12 HydrophobicContact CG-CG 4.42Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 2.96Å; L8-I349 HydrophobicContact CD1-CG2 3.8Å; L8-P353 HydrophobicContact CB-CB 4.29Å; L8-P353 HydrophobicContact CB-CG 3.93Å; L8-P353 HydrophobicContact CD1-CB 3.92Å; L8-P353 HydrophobicContact CD1-CG 3.98Å
9V97.1Very high93.4Very high21 Ų2171 Ų7113%0.12737%0.374CS..Hα-helixtrans-60.7-41.4178.2173.70000111.4Q5 A6 L12 N13 A294Q5-V9 WeakPolarHBondContact O-CG2 3.4Å; Q5-V9 PolarHBondContact O-N 3.27Å; A6-V9 PolarHBondContact O-N 2.9Å; V9-L12 PolarHBondContact O-N 3.48Å; V9-N13 WeakPolarHBondContact CG1-ND2 3.33Å; V9-N13 PolarHBondContact O-N 3.31Å; V9-N13 PolarHBondContact O-ND2 3.33Å; V9-A294 VanDerWaalsContact CG2-O 3.31Å; V9-A294 WeakPolarHBondContact CG2-O 3.43Å
10Y97.4Very high93.7Very high153 Ų15367.5 Ų67.560%0.636%0.356SS*.Hα-helixtrans-59.3-50.5175.1174.6-94.8000111.8A6 L8 L12 N13 K14A6-Y10 WeakPolarHBondContact O-CB 3.36Å; A6-Y10 PolarHBondContact O-N 3.26Å; L8-Y10 VanDerWaalsContact C-N 3.32Å; L8-Y10 PolarHBondContact O-N 3.34Å; Y10-L12 VanDerWaalsContact C-N 3.33Å; Y10-L12 PolarHBondContact O-N 3.23Å; Y10-N13 PolarHBondContact O-N 3.23Å; Y10-K14 PolarHBondContact O-N 3.29Å
11Q97.9Very high93.9Very high17 Ų1768 Ų688%0.07936%0.356CS..Hα-helixtrans-66.3-35.1-179.1-67.3-66-20.600112.3K7 L8 K14 Y15 P353 L356K7-Q11 VanDerWaalsContact O-CG 3.29Å; K7-Q11 WeakPolarHBondContact O-CG 3.37Å; K7-Q11 PolarHBondContact O-N 2.64Å; K7-Q11 VanDerWaalsContact O-N 3.1Å; L8-Q11 PolarHBondContact O-N 2.69Å; Q11-K14 PolarHBondContact O-N 2.99Å; Q11-Y15 WeakPolarHBondContact O-CB 3.38Å; Q11-Y15 PolarHBondContact O-N 3.18Å; Q11-P353 HydrophobicContact CB-CB 3.98Å; Q11-P353 WeakPolarHBondContact CB-O 3.27Å; Q11-P353 HydrophobicContact CG-CB 3.9Å; Q11-P353 WeakPolarHBondContact CG-O 3.5Å; Q11-L356 HydrophobicContact CB-CD1 3.85Å
12L98.1Very high95.5Very high0 Ų060.7 Ų60.70%033%0.33CS..Hα-helixtrans-68-39.7174.6-74.6173.8000112.9L8 V9 Y10 K14 Y15 Y16 V253 L296 L300 L356L8-L12 HydrophobicContact CD1-CD1 3.87Å; L8-L12 HydrophobicContact CD1-CG 4Å; L8-L12 HydrophobicContact CG-CD1 3.88Å; L8-L12 HydrophobicContact CG-CG 4.42Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 2.96Å; V9-L12 PolarHBondContact O-N 3.48Å; Y10-L12 VanDerWaalsContact C-N 3.33Å; Y10-L12 PolarHBondContact O-N 3.23Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-Y15 PolarHBondContact O-N 3.5Å; L12-Y16 WeakPolarHBondContact O-CB 3.24Å; L12-Y16 PolarHBondContact O-N 2.89Å; L12-V253 HydrophobicContact CD2-CG1 4.1Å; L12-L296 HydrophobicContact CB-CD2 3.92Å; L12-L296 HydrophobicContact CB-CG 4.44Å; L12-L296 HydrophobicContact CD1-CG 4.22Å; L12-L300 HydrophobicContact CD1-CB 4.47Å; L12-L300 HydrophobicContact CD1-CD2 3.81Å; L12-L300 HydrophobicContact CD2-CD2 3.34Å; L12-L300 HydrophobicContact CG-CD2 4.24Å; L12-L356 HydrophobicContact CD2-CD1 3.55Å; L12-L356 HydrophobicContact CD2-CD2 4.28Å; L12-L356 HydrophobicContact CG-CD1 3.92Å
13N98.1Very high96.3Very high45 Ų4555.8 Ų55.824%0.24130%0.302CS..Hα-helixtrans-65.7-38.8174.1-81.8-68.4000111.3V9 Y10 Y16 T17 K249V9-N13 WeakPolarHBondContact CG1-ND2 3.33Å; V9-N13 PolarHBondContact O-N 3.31Å; V9-N13 PolarHBondContact O-ND2 3.33Å; Y10-N13 PolarHBondContact O-N 3.23Å; N13-Y16 PolarHBondContact O-N 3.37Å; N13-T17 PolarHBondContact O-N 3.07Å; N13-T17 PolarHBondContact O-OG1 3.3Å; N13-K249 PolarHBondContact OD1-NZ 3.42Å
14K98.3Very high96.8Very high66 Ų6655.4 Ų55.429%0.28729%0.285SS..Hα-helixtrans-60.7-50.2171.7-173.9-176.5175-166.80111.6Y10 Q11 L12 Y16 T17 E18 D357Y10-K14 PolarHBondContact O-N 3.29Å; Q11-K14 PolarHBondContact O-N 2.99Å; L12-K14 VanDerWaalsContact C-N 3.33Å; K14-Y16 PolarHBondContact O-N 3.15Å; K14-T17 PolarHBondContact O-N 2.82Å; K14-T17 VanDerWaalsContact O-N 3.17Å; K14-E18 WeakPolarHBondContact CE-OE1 3.37Å; K14-E18 HydrophobicContact CG-CG 4.43Å; K14-E18 WeakPolarHBondContact CG-OE1 3.26Å; K14-E18 PolarHBondContact O-N 3.42Å; K14-D357 WeakPolarHBondContact CE-OD1 3.33Å; K14-D357 IonicContact NZ-OD1 2.71Å; K14-D357 PolarHBondContact NZ-OD1 3.37Å; K14-D357 IonicContact NZ-OD2 3.5Å
15Y98.6Very high97.2Very high3 Ų355.2 Ų55.21%0.01228%0.284CS..Hα-helixtrans-56.3-39.9175.7-170.1-91.9000112.4Q11 L12 R19 C20 V253 T256 L257 L356 L359Q11-Y15 WeakPolarHBondContact O-CB 3.38Å; Q11-Y15 PolarHBondContact O-N 3.18Å; L12-Y15 PolarHBondContact O-N 3.5Å; Y15-R19 HydrophobicContact CD1-CB 4.27Å; Y15-R19 HydrophobicContact CD2-CB 4.22Å; Y15-R19 HydrophobicContact CD2-CG 3.76Å; Y15-R19 HydrophobicContact CE1-CB 4.02Å; Y15-R19 HydrophobicContact CE2-CB 4.02Å; Y15-R19 HydrophobicContact CE2-CG 3.65Å; Y15-R19 HydrophobicContact CG-CB 4.36Å; Y15-R19 HydrophobicContact CG-CG 4.29Å; Y15-R19 WeakPolarHBondContact O-CA 3.29Å; Y15-R19 WeakPolarHBondContact O-CB 3.14Å; Y15-R19 PolarHBondContact O-N 3.33Å; Y15-C20 PolarHBondContact O-N 3.38Å; Y15-C20 VanDerWaalsContact O-N 3.16Å; Y15-V253 HydrophobicContact CD1-CG1 4.19Å; Y15-V253 HydrophobicContact CE1-CG1 4.39Å; Y15-T256 HydrophobicContact CE1-CG2 3.8Å; Y15-L257 HydrophobicContact CE1-CD2 4.25Å; Y15-L257 HydrophobicContact CE1-CG 4.33Å; Y15-L257 HydrophobicContact CE2-CD2 4.49Å; Y15-L356 HydrophobicContact CD2-CB 3.89Å; Y15-L356 HydrophobicContact CD2-CD2 3.73Å; Y15-L356 HydrophobicContact CD2-CG 4.41Å; Y15-L356 VanDerWaalsContact CD2-O 3.28Å; Y15-L356 WeakPolarHBondContact CD2-O 3.22Å; Y15-L356 HydrophobicContact CE2-CD2 4.08Å; Y15-L356 HydrophobicContact CG-CB 4.46Å; Y15-L356 HydrophobicContact CG-CD2 4Å; Y15-L359 HydrophobicContact CE2-CB 4.03Å; Y15-L359 VanDerWaalsContact CE2-O 3.25Å; Y15-L359 WeakPolarHBondContact CE2-O 2.89Å
16Y98.6Very high97.6Very high41 Ų4154.5 Ų54.516%0.16129%0.29CS..Iπ-helixtrans-63.4-51.2175.6179.2-98.4000111.7L12 N13 K14 E18 C20 Q21 K24 K249 V253L12-Y16 WeakPolarHBondContact O-CB 3.24Å; L12-Y16 PolarHBondContact O-N 2.89Å; N13-Y16 PolarHBondContact O-N 3.37Å; K14-Y16 PolarHBondContact O-N 3.15Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E18 PolarHBondContact O-N 3.4Å; Y16-C20 HydrophobicContact CD2-CB 3.74Å; Y16-C20 HydrophobicContact CE2-CB 4.25Å; Y16-C20 HydrophobicContact CG-CB 4.33Å; Y16-C20 VanDerWaalsContact O-CB 3.23Å; Y16-C20 WeakPolarHBondContact O-CB 3.29Å; Y16-C20 PolarHBondContact O-N 3.47Å; Y16-Q21 VanDerWaalsContact CE1-NE2 3.27Å; Y16-Q21 PolarHBondContact O-N 3.4Å; Y16-K24 PolarHBondContact OH-NZ 3.24Å; Y16-K249 HydrophobicContact CD1-CD 4.35Å; Y16-K249 HydrophobicContact CD1-CG 4.15Å; Y16-K249 HydrophobicContact CD2-CB 4.5Å; Y16-K249 HydrophobicContact CD2-CG 3.54Å; Y16-K249 HydrophobicContact CE1-CG 4.28Å; Y16-K249 HydrophobicContact CE2-CB 4.25Å; Y16-K249 HydrophobicContact CE2-CG 3.7Å; Y16-K249 HydrophobicContact CG-CD 4.27Å; Y16-K249 HydrophobicContact CG-CG 3.78Å; Y16-V253 HydrophobicContact CD2-CG2 4.32Å
17T98.2Very high97.8Very high93 Ų9352.4 Ų52.457%0.57127%0.27SS*.Iπ-helixtrans-65-34.4-178.8-61.40000112.8N13 K14 Q21N13-T17 PolarHBondContact O-N 3.07Å; N13-T17 PolarHBondContact O-OG1 3.3Å; K14-T17 PolarHBondContact O-N 2.82Å; K14-T17 VanDerWaalsContact O-N 3.17Å; T17-Q21 VanDerWaalsContact O-CB 3.26Å; T17-Q21 WeakPolarHBondContact O-CB 3.47Å; T17-Q21 VanDerWaalsContact O-CG 3.28Å; T17-Q21 WeakPolarHBondContact O-CG 3.49Å
18E97.9Very high97.8Very high91 Ų9149.2 Ų49.243%0.42526%0.264SS..Iπ-helixtrans-89.7-67.1-179.1-65.5176.3-177.600111.7K14 Y16 A22K14-E18 WeakPolarHBondContact CE-OE1 3.37Å; K14-E18 HydrophobicContact CG-CG 4.43Å; K14-E18 WeakPolarHBondContact CG-OE1 3.26Å; K14-E18 PolarHBondContact O-N 3.42Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E18 PolarHBondContact O-N 3.4Å; E18-A22 WeakPolarHBondContact O-CB 3.14Å; E18-A22 PolarHBondContact O-N 2.62Å; E18-A22 VanDerWaalsContact O-N 3.09Å
19R98Very high97.8Very high66 Ų6656 Ų5625%0.24929%0.293CS..Iπ-helixtrans-77.9-43.8-169.7-53.9-57.5179.8105.1-10.7112Y15 R23 T256 D357 L359Y15-R19 HydrophobicContact CD1-CB 4.27Å; Y15-R19 HydrophobicContact CD2-CB 4.22Å; Y15-R19 HydrophobicContact CD2-CG 3.76Å; Y15-R19 HydrophobicContact CE1-CB 4.02Å; Y15-R19 HydrophobicContact CE2-CB 4.02Å; Y15-R19 HydrophobicContact CE2-CG 3.65Å; Y15-R19 HydrophobicContact CG-CB 4.36Å; Y15-R19 HydrophobicContact CG-CG 4.29Å; Y15-R19 WeakPolarHBondContact O-CA 3.29Å; Y15-R19 WeakPolarHBondContact O-CB 3.14Å; Y15-R19 PolarHBondContact O-N 3.33Å; R19-R23 WeakPolarHBondContact O-CB 3.39Å; R19-R23 PolarHBondContact O-N 3.46Å; R19-T256 HydrophobicContact CB-CG2 4.08Å; R19-D357 PolarHBondContact NH2-O 3.15Å; R19-L359 PolarHBondContact NH1-O 3.44Å
20C98.4Very high97.8Very high1 Ų155.7 Ų55.71%0.00729%0.291CS..Iπ-helixtrans-71.8-37.5-178.6-55.90000111.7Y15 Y16 R23 K24 T256Y15-C20 PolarHBondContact O-N 3.38Å; Y15-C20 VanDerWaalsContact O-N 3.16Å; Y16-C20 HydrophobicContact CD2-CB 3.74Å; Y16-C20 HydrophobicContact CE2-CB 4.25Å; Y16-C20 HydrophobicContact CG-CB 4.33Å; Y16-C20 VanDerWaalsContact O-CB 3.23Å; Y16-C20 WeakPolarHBondContact O-CB 3.29Å; Y16-C20 PolarHBondContact O-N 3.47Å; C20-R23 PolarHBondContact O-N 3.16Å; C20-K24 VanDerWaalsContact O-CG 3.32Å; C20-K24 WeakPolarHBondContact O-CG 3.49Å; C20-K24 PolarHBondContact O-N 2.53Å; C20-T256 PolarHBondContact SG-OG1 2.99Å
21Q98.2Very high97.8Very high77 Ų7749.5 Ų49.536%0.3627%0.268SS..Hα-helixtrans-68.6-42.5174.5-62.3-59.6-22.300112.1Y16 T17 R23 K24 A25Y16-Q21 VanDerWaalsContact CE1-NE2 3.27Å; Y16-Q21 PolarHBondContact O-N 3.4Å; T17-Q21 VanDerWaalsContact O-CB 3.26Å; T17-Q21 WeakPolarHBondContact O-CB 3.47Å; T17-Q21 VanDerWaalsContact O-CG 3.28Å; T17-Q21 WeakPolarHBondContact O-CG 3.49Å; Q21-R23 VanDerWaalsContact C-N 3.3Å; Q21-R23 PolarHBondContact O-N 3.05Å; Q21-K24 PolarHBondContact O-N 3.16Å; Q21-K24 VanDerWaalsContact O-N 3.17Å; Q21-A25 WeakPolarHBondContact O-CB 3.36Å; Q21-A25 PolarHBondContact O-N 3.21Å
22A98.1Very high97.7Very high60 Ų6055.5 Ų55.550%0.49629%0.29SS..Hα-helixtrans-58.1-43.7173.800000111.6E18 A25 A26E18-A22 WeakPolarHBondContact O-CB 3.14Å; E18-A22 PolarHBondContact O-N 2.62Å; E18-A22 VanDerWaalsContact O-N 3.09Å; A22-A25 PolarHBondContact O-N 2.74Å; A22-A26 WeakPolarHBondContact O-CB 3.43Å; A22-A26 PolarHBondContact O-N 3.27Å
23R98Very high97.6Very high38 Ų3857.7 Ų57.714%0.14330%0.301CS..Hα-helixtrans-58.2-49.3173.1179.6-173-179.6-79.3-6.3111.9R19 C20 Q21 A25 A26 I27 T256 D259 N271R19-R23 WeakPolarHBondContact O-CB 3.39Å; R19-R23 PolarHBondContact O-N 3.46Å; C20-R23 PolarHBondContact O-N 3.16Å; Q21-R23 VanDerWaalsContact C-N 3.3Å; Q21-R23 PolarHBondContact O-N 3.05Å; R23-A25 PolarHBondContact O-N 2.99Å; R23-A26 PolarHBondContact O-N 3.01Å; R23-I27 HydrophobicContact CG-CD1 3.71Å; R23-I27 HydrophobicContact CG-CG1 4.48Å; R23-I27 WeakPolarHBondContact O-CB 3.4Å; R23-I27 VanDerWaalsContact O-CG1 3.28Å; R23-I27 WeakPolarHBondContact O-CG1 3.41Å; R23-I27 PolarHBondContact O-N 2.95Å; R23-T256 WeakPolarHBondContact CD-OG1 3.2Å; R23-D259 IonicContact CZ-OD2 3.11Å; R23-D259 IonicContact NE-OD2 3.42Å; R23-D259 PolarHBondContact NE-OD2 3.05Å; R23-D259 IonicContact NH2-OD1 3.98Å; R23-D259 IonicContact NH2-OD2 3.04Å; R23-D259 PolarHBondContact NH2-OD2 3.34Å; R23-N271 PolarHBondContact NH2-ND2 3.33Å
24K97.1Very high97.6Very high75 Ų7555.6 Ų55.633%0.32629%0.289SS..Hα-helixtrans-59.7-45.8178.8-75.7175-178.8-1770111.7Y16 C20 Q21 I27 A28 S252Y16-K24 PolarHBondContact OH-NZ 3.24Å; C20-K24 VanDerWaalsContact O-CG 3.32Å; C20-K24 WeakPolarHBondContact O-CG 3.49Å; C20-K24 PolarHBondContact O-N 2.53Å; Q21-K24 PolarHBondContact O-N 3.16Å; Q21-K24 VanDerWaalsContact O-N 3.17Å; K24-I27 PolarHBondContact O-N 2.58Å; K24-A28 VanDerWaalsContact O-CB 3.28Å; K24-A28 WeakPolarHBondContact O-CB 3.27Å; K24-A28 PolarHBondContact O-N 2.98Å; K24-S252 WeakPolarHBondContact CE-OG 3.48Å; K24-S252 PolarHBondContact NZ-OG 3.05Å
25A97.4Very high97.5Very high65 Ų6552.5 Ų52.554%0.53728%0.276SS..Hα-helixtrans-64.5-43.9179.100000112.3Q21 A22 R23 A28 K29Q21-A25 WeakPolarHBondContact O-CB 3.36Å; Q21-A25 PolarHBondContact O-N 3.21Å; A22-A25 PolarHBondContact O-N 2.74Å; R23-A25 PolarHBondContact O-N 2.99Å; A25-A28 PolarHBondContact O-N 2.76Å; A25-K29 PolarHBondContact O-N 3.28Å
26A97.9Very high97.4Very high56 Ų5658.7 Ų58.746%0.46330%0.303SS..Hα-helixtrans-62.5-47.6176.900000111.5A22 R23 K29 T30A22-A26 WeakPolarHBondContact O-CB 3.43Å; A22-A26 PolarHBondContact O-N 3.27Å; R23-A26 PolarHBondContact O-N 3.01Å; A26-K29 WeakPolarHBondContact O-CB 3.48Å; A26-K29 PolarHBondContact O-N 3.49Å; A26-T30 PolarHBondContact O-N 3.43Å; A26-T30 PolarHBondContact O-OG1 3.15Å
27I97.5Very high97.4Very high12 Ų1257 Ų576%0.06230%0.296CS..Hα-helixtrans-64-42.6178.1-69.6174.4000110.8R23 K24 K29 T30 I31 V68 P71 F74R23-I27 HydrophobicContact CG-CD1 3.71Å; R23-I27 HydrophobicContact CG-CG1 4.48Å; R23-I27 WeakPolarHBondContact O-CB 3.4Å; R23-I27 VanDerWaalsContact O-CG1 3.28Å; R23-I27 WeakPolarHBondContact O-CG1 3.41Å; R23-I27 PolarHBondContact O-N 2.95Å; K24-I27 PolarHBondContact O-N 2.58Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-K29 PolarHBondContact O-N 3.36Å; I27-T30 PolarHBondContact O-N 3Å; I27-T30 VanDerWaalsContact O-N 3.15Å; I27-I31 HydrophobicContact CG2-CD1 3.62Å; I27-I31 HydrophobicContact CG2-CG1 4.06Å; I27-I31 WeakPolarHBondContact O-CB 3.12Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.39Å; I27-I31 PolarHBondContact O-N 2.9Å; I27-V68 HydrophobicContact CD1-CG1 4.09Å; I27-V68 HydrophobicContact CG2-CG1 4.04Å; I27-V68 HydrophobicContact CG2-CG2 3.99Å; I27-P71 HydrophobicContact CG1-CB 4.4Å; I27-F74 HydrophobicContact CG2-CE1 4.17Å
28A96.4Very high97.4Very high40 Ų4052.5 Ų52.533%0.33127%0.269SS..Hα-helixtrans-59.8-39.8176.600000112.2K24 A25 I31 R32K24-A28 VanDerWaalsContact O-CB 3.28Å; K24-A28 WeakPolarHBondContact O-CB 3.27Å; K24-A28 PolarHBondContact O-N 2.98Å; A25-A28 PolarHBondContact O-N 2.76Å; A28-I31 PolarHBondContact O-N 2.81Å; A28-R32 WeakPolarHBondContact O-CG 3.45Å; A28-R32 PolarHBondContact O-N 2.86Å
29K96.4Very high97.3Very high157 Ų15750.2 Ų50.268%0.68326%0.263SS*.Hα-helixtrans-62.2-46.7173.3-178.8179.1176.6178.70111.5A25 A26 I27 R32 E33A25-K29 PolarHBondContact O-N 3.28Å; A26-K29 WeakPolarHBondContact O-CB 3.48Å; A26-K29 PolarHBondContact O-N 3.49Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-K29 PolarHBondContact O-N 3.36Å; K29-R32 PolarHBondContact O-N 3.29Å; K29-E33 PolarHBondContact O-N 3.01Å
30T97.3Very high97.3Very high14 Ų1448.3 Ų48.39%0.08626%0.258CS..Hα-helixtrans-63.5-41.6177.6-62.30000112.1A26 I27 R32 E33 V34 F74 Y166A26-T30 PolarHBondContact O-N 3.43Å; A26-T30 PolarHBondContact O-OG1 3.15Å; I27-T30 PolarHBondContact O-N 3Å; I27-T30 VanDerWaalsContact O-N 3.15Å; T30-R32 PolarHBondContact O-N 2.95Å; T30-E33 WeakPolarHBondContact O-CB 3.44Å; T30-E33 PolarHBondContact O-N 3Å; T30-E33 VanDerWaalsContact O-N 3.13Å; T30-V34 HydrophobicContact CG2-CG2 4.16Å; T30-V34 WeakPolarHBondContact O-CB 3.49Å; T30-V34 WeakPolarHBondContact O-CG2 3.4Å; T30-V34 PolarHBondContact O-N 3.15Å; T30-F74 HydrophobicContact CG2-CE2 3.67Å; T30-F74 HydrophobicContact CG2-CZ 3.56Å; T30-Y166 HydrophobicContact CG2-CD1 3.66Å; T30-Y166 HydrophobicContact CG2-CD2 4.34Å; T30-Y166 HydrophobicContact CG2-CE1 3.47Å; T30-Y166 VanDerWaalsContact CG2-CE1 3.47Å; T30-Y166 HydrophobicContact CG2-CE2 4.17Å; T30-Y166 HydrophobicContact CG2-CG 4.09Å
31I97.7Very high97.3Very high23 Ų2348.3 Ų48.312%0.11826%0.258CS..Hα-helixtrans-58-47.1178.1-74.7173000110.7I27 A28 E33 V34 C35 Y63 L66 V68 F74I27-I31 HydrophobicContact CG2-CD1 3.62Å; I27-I31 HydrophobicContact CG2-CG1 4.06Å; I27-I31 WeakPolarHBondContact O-CB 3.12Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.39Å; I27-I31 PolarHBondContact O-N 2.9Å; A28-I31 PolarHBondContact O-N 2.81Å; I31-E33 VanDerWaalsContact C-N 3.26Å; I31-E33 PolarHBondContact O-N 2.99Å; I31-V34 PolarHBondContact O-N 2.79Å; I31-C35 VanDerWaalsContact O-CB 3.3Å; I31-C35 WeakPolarHBondContact O-CB 3.34Å; I31-C35 PolarHBondContact O-N 3.29Å; I31-C35 PolarHBondContact O-SG 3.44Å; I31-Y63 HydrophobicContact CG2-CD2 3.36Å; I31-Y63 HydrophobicContact CG2-CE2 3.56Å; I31-Y63 HydrophobicContact CG2-CG 4.39Å; I31-L66 HydrophobicContact CB-CD2 4.22Å; I31-L66 HydrophobicContact CD1-CD2 3.68Å; I31-L66 HydrophobicContact CG1-CD2 3.78Å; I31-L66 HydrophobicContact CG2-CD2 3.4Å; I31-L66 VanDerWaalsContact CG2-CD2 3.4Å; I31-V68 HydrophobicContact CD1-CG2 3.88Å; I31-F74 HydrophobicContact CD1-CE1 4.25Å; I31-F74 HydrophobicContact CG1-CD1 4.08Å; I31-F74 HydrophobicContact CG1-CE1 3.59Å; I31-F74 HydrophobicContact CG1-CZ 4.31Å
32R95.8Very high97.3Very high142 Ų14244.6 Ų44.654%0.53624%0.241SC..Hα-helixtrans-60.7-35177.9-68.6179.6-166.6158.94112.9A28 K29 T30 K36A28-R32 WeakPolarHBondContact O-CG 3.45Å; A28-R32 PolarHBondContact O-N 2.86Å; K29-R32 PolarHBondContact O-N 3.29Å; T30-R32 PolarHBondContact O-N 2.95Å; R32-K36 VanDerWaalsContact O-CG 3.3Å; R32-K36 WeakPolarHBondContact O-CG 3.32Å; R32-K36 PolarHBondContact O-N 3.07Å
33E95.5Very high97.3Very high47 Ų4748 Ų4822%0.2224%0.244CC..Hα-helixtrans-69.7-49.1175.9-178.2177.1-168.400110.8K29 T30 I31 K36 R163K29-E33 PolarHBondContact O-N 3.01Å; T30-E33 WeakPolarHBondContact O-CB 3.44Å; T30-E33 PolarHBondContact O-N 3Å; T30-E33 VanDerWaalsContact O-N 3.13Å; I31-E33 VanDerWaalsContact C-N 3.26Å; I31-E33 PolarHBondContact O-N 2.99Å; E33-K36 PolarHBondContact O-N 2.67Å; E33-R163 WeakPolarHBondContact OE1-CD 3.13Å; E33-R163 IonicContact OE1-CZ 3.65Å; E33-R163 IonicContact OE1-NE 2.74Å; E33-R163 PolarHBondContact OE1-NE 3.29Å; E33-R163 VanDerWaalsContact OE1-NE 3.11Å; E33-R163 IonicContact OE1-NH1 3.56Å; E33-R163 PolarHBondContact OE1-NH1 3.42Å
34V97.4Very high97.3Very high1 Ų148.6 Ų48.61%0.00625%0.249CC..Hα-helixtrans-61-49.7179.1158.20000111.8T30 I31 K36 V37 V38 F74 I162 Y166 V168T30-V34 HydrophobicContact CG2-CG2 4.16Å; T30-V34 WeakPolarHBondContact O-CB 3.49Å; T30-V34 WeakPolarHBondContact O-CG2 3.4Å; T30-V34 PolarHBondContact O-N 3.15Å; I31-V34 PolarHBondContact O-N 2.79Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.75Å; V34-V37 PolarHBondContact O-N 2.75Å; V34-V37 VanDerWaalsContact O-N 3.13Å; V34-V38 HydrophobicContact CG1-CG2 4.13Å; V34-V38 WeakPolarHBondContact O-CG2 3.31Å; V34-V38 PolarHBondContact O-N 3.48Å; V34-F74 HydrophobicContact CG1-CD2 4.46Å; V34-F74 HydrophobicContact CG2-CD2 4.22Å; V34-F74 HydrophobicContact CG2-CE2 4.13Å; V34-I162 HydrophobicContact CB-CD1 4.42Å; V34-I162 HydrophobicContact CG1-CD1 4.31Å; V34-I162 HydrophobicContact CG2-CD1 4.2Å; V34-Y166 HydrophobicContact CG2-CD2 4.19Å; V34-Y166 HydrophobicContact CG2-CG 4.2Å; V34-V168 HydrophobicContact CB-CG2 4.37Å; V34-V168 HydrophobicContact CG1-CB 4.39Å; V34-V168 HydrophobicContact CG1-CG1 4.16Å; V34-V168 HydrophobicContact CG1-CG2 3.36Å; V34-V168 HydrophobicContact CG2-CG2 4.17Å
35C97.1Very high97.4Very high1 Ų145 Ų451%0.00723%0.233CC..Hα-helixtrans-63.1-33.6-176.4-71.10000112.3I31 V37 V38 S39 L56 Y63I31-C35 VanDerWaalsContact O-CB 3.3Å; I31-C35 WeakPolarHBondContact O-CB 3.34Å; I31-C35 PolarHBondContact O-N 3.29Å; I31-C35 PolarHBondContact O-SG 3.44Å; C35-V37 PolarHBondContact O-N 3.23Å; C35-V38 PolarHBondContact O-N 3.4Å; C35-S39 WeakPolarHBondContact O-CB 3.33Å; C35-S39 PolarHBondContact O-N 3.17Å; C35-S39 PolarHBondContact O-OG 3.12Å; C35-S39 VanDerWaalsContact O-OG 3.07Å; C35-L56 HydrophobicContact CB-CD2 3.89Å; C35-Y63 HydrophobicContact CB-CD1 4.04Å; C35-Y63 HydrophobicContact CB-CE1 3.68Å; C35-Y63 HydrophobicContact CB-CE2 4.21Å; C35-Y63 HydrophobicContact CB-CG 4.45Å
36K96.3Very high97.4Very high133 Ų13345.4 Ų45.458%0.57822%0.224SC*.Hα-helixtrans-60.5-45.4173.5-77.2176.5179.4-1720112.3R32 E33 V34 D40R32-K36 VanDerWaalsContact O-CG 3.3Å; R32-K36 WeakPolarHBondContact O-CG 3.32Å; R32-K36 PolarHBondContact O-N 3.07Å; E33-K36 PolarHBondContact O-N 2.67Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.75Å; K36-D40 PolarHBondContact O-N 3.39Å
37V98Very high97.3Very high4 Ų447.9 Ų47.92%0.02423%0.233CC..Hα-helixtrans-67.7-43.6178.71800000110.6V34 C35 S39 D40 V41 Y145 V149 I162V34-V37 PolarHBondContact O-N 2.75Å; V34-V37 VanDerWaalsContact O-N 3.13Å; C35-V37 PolarHBondContact O-N 3.23Å; V37-S39 PolarHBondContact O-N 2.87Å; V37-D40 PolarHBondContact O-N 3.38Å; V37-V41 WeakPolarHBondContact O-CG2 3.31Å; V37-V41 PolarHBondContact O-N 3.24Å; V37-Y145 HydrophobicContact CB-CD2 4.38Å; V37-Y145 HydrophobicContact CB-CG 4.39Å; V37-Y145 HydrophobicContact CG1-CD2 4.45Å; V37-Y145 HydrophobicContact CG1-CG 4.25Å; V37-Y145 HydrophobicContact CG2-CD1 3.88Å; V37-Y145 HydrophobicContact CG2-CD2 4.15Å; V37-Y145 HydrophobicContact CG2-CE1 4.17Å; V37-Y145 HydrophobicContact CG2-CE2 4.42Å; V37-Y145 HydrophobicContact CG2-CG 3.87Å; V37-V149 HydrophobicContact CG1-CB 3.85Å; V37-V149 HydrophobicContact CG1-CG1 4.32Å; V37-V149 HydrophobicContact CG1-CG2 3.92Å; V37-I162 HydrophobicContact CB-CD1 3.84Å; V37-I162 HydrophobicContact CB-CG1 4.42Å; V37-I162 HydrophobicContact CG1-CD1 3.88Å; V37-I162 HydrophobicContact CG1-CG1 3.99Å; V37-I162 HydrophobicContact CG2-CD1 4.41Å; V37-I162 HydrophobicContact CG2-CG2 4.08Å
38V98.2Very high97.3Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-61-45.1178174.40000111.3V34 C35 D40 V41 L42 L56 V76 L160 V168 I170V34-V38 HydrophobicContact CG1-CG2 4.13Å; V34-V38 WeakPolarHBondContact O-CG2 3.31Å; V34-V38 PolarHBondContact O-N 3.48Å; C35-V38 PolarHBondContact O-N 3.4Å; V38-D40 VanDerWaalsContact C-N 3.33Å; V38-D40 PolarHBondContact O-N 3.14Å; V38-V41 PolarHBondContact O-N 2.97Å; V38-L42 HydrophobicContact CG1-CD1 3.78Å; V38-L42 HydrophobicContact CG1-CG 4.21Å; V38-L42 WeakPolarHBondContact O-CB 3.19Å; V38-L42 WeakPolarHBondContact O-CG 3.06Å; V38-L42 PolarHBondContact O-N 3.19Å; V38-L56 HydrophobicContact CB-CD2 3.99Å; V38-L56 HydrophobicContact CG1-CD2 3.77Å; V38-V76 HydrophobicContact CG1-CG1 4.44Å; V38-V76 HydrophobicContact CG1-CG2 4.39Å; V38-L160 HydrophobicContact CG2-CD1 4.42Å; V38-V168 HydrophobicContact CG2-CB 4.41Å; V38-V168 HydrophobicContact CG2-CG1 3.83Å; V38-I170 HydrophobicContact CG1-CD1 3.9Å; V38-I170 HydrophobicContact CG1-CG1 4.38Å
39S97.2Very high97.3Very high43 Ų4349.2 Ų49.230%0.30123%0.232SC..Hα-helixtrans-63.1-38.2178.4-660000112.7C35 V37 L42 K43C35-S39 WeakPolarHBondContact O-CB 3.33Å; C35-S39 PolarHBondContact O-N 3.17Å; C35-S39 PolarHBondContact O-OG 3.12Å; C35-S39 VanDerWaalsContact O-OG 3.07Å; V37-S39 PolarHBondContact O-N 2.87Å; S39-L42 PolarHBondContact O-N 2.96Å; S39-K43 WeakPolarHBondContact O-CB 3.48Å; S39-K43 PolarHBondContact O-N 3.46Å
40D97.9Very high97.3Very high26 Ų2645.9 Ų45.914%0.13923%0.226CC..Hα-helixtrans-67.1-43.2176.8-173.572.6000111.7K36 V37 V38 K43 E44 C143 S144 Y145K36-D40 PolarHBondContact O-N 3.39Å; V37-D40 PolarHBondContact O-N 3.38Å; V38-D40 VanDerWaalsContact C-N 3.33Å; V38-D40 PolarHBondContact O-N 3.14Å; D40-K43 PolarHBondContact O-N 3.36Å; D40-E44 PolarHBondContact O-N 3.49Å; D40-C143 VanDerWaalsContact OD2-CB 3.24Å; D40-C143 WeakPolarHBondContact OD2-CB 3.4Å; D40-S144 WeakPolarHBondContact OD1-CB 3.39Å; D40-S144 PolarHBondContact OD1-OG 3.23Å; D40-S144 WeakPolarHBondContact OD2-CA 3.48Å; D40-S144 VanDerWaalsContact OD2-CB 3.23Å; D40-S144 WeakPolarHBondContact OD2-CB 3.43Å; D40-S144 PolarHBondContact OD2-N 2.96Å; D40-S144 PolarHBondContact OD2-OG 2.82Å; D40-Y145 HydrophobicContact CB-CD2 3.7Å; D40-Y145 HydrophobicContact CB-CE2 3.85Å; D40-Y145 WeakPolarHBondContact OD2-CD2 3.35Å; D40-Y145 PolarHBondContact OD2-N 3.43Å
41V98.4Very high97.2Very high0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-62.3-46173.3172.80000111.3V37 V38 K43 E44 V45 V136 A139 V140 C143 V149 L160V37-V41 WeakPolarHBondContact O-CG2 3.31Å; V37-V41 PolarHBondContact O-N 3.24Å; V38-V41 PolarHBondContact O-N 2.97Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 3.46Å; V41-E44 PolarHBondContact O-N 3.26Å; V41-V45 WeakPolarHBondContact O-CG2 3.14Å; V41-V45 PolarHBondContact O-N 2.66Å; V41-V136 HydrophobicContact CG1-CG1 4.06Å; V41-A139 HydrophobicContact CG1-CB 4.02Å; V41-V140 HydrophobicContact CG1-CG1 4.16Å; V41-V140 HydrophobicContact CG2-CG1 4.22Å; V41-C143 HydrophobicContact CG2-CB 4.25Å; V41-V149 HydrophobicContact CG2-CG1 4.25Å; V41-L160 HydrophobicContact CB-CD1 4.41Å; V41-L160 HydrophobicContact CG1-CD1 4.29Å; V41-L160 HydrophobicContact CG2-CD1 4.26Å
42L98.1Very high97.2Very high0 Ų046.1 Ų46.10%022%0.224CC..Hα-helixtrans-65.4-32179.7-73.2176.6000112.6V38 S39 V45 E46 S54 L78 F132 I170V38-L42 HydrophobicContact CG1-CD1 3.78Å; V38-L42 HydrophobicContact CG1-CG 4.21Å; V38-L42 WeakPolarHBondContact O-CB 3.19Å; V38-L42 WeakPolarHBondContact O-CG 3.06Å; V38-L42 PolarHBondContact O-N 3.19Å; S39-L42 PolarHBondContact O-N 2.96Å; L42-V45 WeakPolarHBondContact O-CB 3.43Å; L42-V45 PolarHBondContact O-N 2.9Å; L42-E46 WeakPolarHBondContact O-CB 3.47Å; L42-E46 PolarHBondContact O-N 3.32Å; L42-S54 WeakPolarHBondContact CD1-OG 3.37Å; L42-L78 HydrophobicContact CD1-CD1 4.2Å; L42-L78 HydrophobicContact CD2-CD2 4.21Å; L42-F132 HydrophobicContact CD2-CE2 4.07Å; L42-F132 HydrophobicContact CD2-CZ 3.78Å; L42-I170 HydrophobicContact CD2-CD1 4.41Å; L42-I170 HydrophobicContact CD2-CG2 4.43Å
43K97.6Very high97.2Very high132 Ų13243 Ų4357%0.57422%0.217SC*.Hα-helixtrans-63-43.2173.4-173.3-178.1177.9-172.80111.7S39 D40 V41 V45 E46 V47S39-K43 WeakPolarHBondContact O-CB 3.48Å; S39-K43 PolarHBondContact O-N 3.46Å; D40-K43 PolarHBondContact O-N 3.36Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 3.46Å; K43-V45 VanDerWaalsContact C-N 3.29Å; K43-V45 PolarHBondContact O-N 3.32Å; K43-E46 PolarHBondContact O-N 3.04Å; K43-V47 WeakPolarHBondContact O-CG2 3.12Å; K43-V47 PolarHBondContact O-N 3.35Å
44E98.2Very high97.1Very high50 Ų5042.4 Ų42.423%0.23422%0.219CC..Hα-helixtrans-68-28.1174.9-70.2-57.7130.900113D40 V41 Q48 A139 C143D40-E44 PolarHBondContact O-N 3.49Å; V41-E44 PolarHBondContact O-N 3.26Å; E44-Q48 PolarHBondContact O-NE2 3.25Å; E44-A139 HydrophobicContact CB-CB 3.74Å; E44-C143 HydrophobicContact CG-CB 4.05Å
45V98.4Very high96.9Very high0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-67.5-47.7169.3171.60000110.7V41 L42 K43 V47 Q48 E49 F52 F132 L135 V136 A139V41-V45 WeakPolarHBondContact O-CG2 3.14Å; V41-V45 PolarHBondContact O-N 2.66Å; L42-V45 WeakPolarHBondContact O-CB 3.43Å; L42-V45 PolarHBondContact O-N 2.9Å; K43-V45 VanDerWaalsContact C-N 3.29Å; K43-V45 PolarHBondContact O-N 3.32Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V45-V47 PolarHBondContact O-N 3.12Å; V45-Q48 CarbonylContact O-C 3.56Å; V45-Q48 PolarHBondContact O-N 2.79Å; V45-E49 PolarHBondContact O-N 3.21Å; V45-F52 HydrophobicContact CG1-CB 3.84Å; V45-F52 HydrophobicContact CG1-CD2 4.39Å; V45-F52 HydrophobicContact CG1-CG 4.39Å; V45-F132 HydrophobicContact CG1-CD2 4.33Å; V45-F132 HydrophobicContact CG1-CE2 4.05Å; V45-L135 HydrophobicContact CG1-CB 3.96Å; V45-L135 HydrophobicContact CG1-CD1 4.28Å; V45-L135 HydrophobicContact CG2-CB 4.32Å; V45-V136 HydrophobicContact CG2-CB 4.45Å; V45-V136 HydrophobicContact CG2-CG2 3.7Å; V45-A139 HydrophobicContact CG2-CB 3.6Å
46E97.6Very high96.7Very high73 Ų7344.2 Ų44.234%0.34123%0.23SC..Hα-helixtrans-61.1-36.7-178.6-171.1-179.5152.900112.3L42 K43 Q48 E49 P50L42-E46 WeakPolarHBondContact O-CB 3.47Å; L42-E46 PolarHBondContact O-N 3.32Å; K43-E46 PolarHBondContact O-N 3.04Å; E46-Q48 PolarHBondContact O-N 2.53Å; E46-E49 CarbonylContact O-C 3.58Å; E46-E49 VanDerWaalsContact O-C 3.24Å; E46-E49 PolarHBondContact O-N 3.17Å; E46-P50 WeakPolarHBondContact O-CA 3.16Å
47V97.3Very high96.4Very high107 Ų10740.2 Ų40.265%0.64822%0.219SC*.Hα-helixtrans-57.5-35.7173.2170.10000112K43 V45K43-V47 WeakPolarHBondContact O-CG2 3.12Å; K43-V47 PolarHBondContact O-N 3.35Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V45-V47 PolarHBondContact O-N 3.12Å
48Q96.4Very high96.1Very high59 Ų5944.7 Ų44.728%0.27624%0.24SC..Hα-helixtrans-89.5-28.8-179.4-66.417594.200112.6E44 V45 E46 L135 Q138E44-Q48 PolarHBondContact O-NE2 3.25Å; V45-Q48 CarbonylContact O-C 3.56Å; V45-Q48 PolarHBondContact O-N 2.79Å; E46-Q48 PolarHBondContact O-N 2.53Å; Q48-L135 HydrophobicContact CB-CD2 3.95Å; Q48-Q138 VanDerWaalsContact OE1-OE1 3.07Å
49E97.1Very high95.5Very high22 Ų2249 Ų4910%0.10326%0.261CS..  trans-14792.9-177.4-177.555.3-101.400110.4V45 E46 R51 F52 L135V45-E49 PolarHBondContact O-N 3.21Å; E46-E49 CarbonylContact O-C 3.58Å; E46-E49 VanDerWaalsContact O-C 3.24Å; E46-E49 PolarHBondContact O-N 3.17Å; E49-R51 VanDerWaalsContact CD-NE 3.35Å; E49-R51 HydrophobicContact CG-CB 4.4Å; E49-R51 PolarHBondContact O-N 3.44Å; E49-R51 WeakPolarHBondContact OE1-CG 3.42Å; E49-R51 IonicContact OE1-CZ 3.16Å; E49-R51 IonicContact OE1-NE 2.75Å; E49-R51 PolarHBondContact OE1-NE 3.43Å; E49-R51 IonicContact OE1-NH2 2.75Å; E49-R51 PolarHBondContact OE1-NH2 3.1Å; E49-R51 IonicContact OE2-CZ 3.07Å; E49-R51 IonicContact OE2-NE 3.48Å; E49-R51 IonicContact OE2-NH2 2.67Å; E49-R51 PolarHBondContact OE2-NH2 3.44Å; E49-F52 HydrophobicContact CB-CD2 3.97Å; E49-F52 HydrophobicContact CG-CD2 3.35Å; E49-F52 HydrophobicContact CG-CE2 3.71Å; E49-F52 HydrophobicContact CG-CG 4.49Å; E49-F52 PolarHBondContact O-N 2.82Å; E49-F52 VanDerWaalsContact O-N 3.09Å; E49-L135 HydrophobicContact CB-CD1 3.58Å; E49-L135 HydrophobicContact CB-CD2 4.13Å; E49-L135 HydrophobicContact CG-CD1 3.89Å
50P96.2Very high95Very high87 Ų8754.2 Ų54.257%0.56529%0.286SS*.THydrogen-bonded Turntrans-62-10.3-174.4-25.835.2000115E46 I53E46-P50 WeakPolarHBondContact O-CA 3.16Å; P50-I53 VanDerWaalsContact O-CG1 3.27Å; P50-I53 WeakPolarHBondContact O-CG1 3.36Å
51R96Very high94.4Very high41 Ų4156.9 Ų56.916%0.15531%0.311CS..THydrogen-bonded Turntrans-76.5-20.7176.9-64.4179.1-73.6170.13.5113.4E49 I53 L112 W113 E115E49-R51 VanDerWaalsContact CD-NE 3.35Å; E49-R51 HydrophobicContact CG-CB 4.4Å; E49-R51 PolarHBondContact O-N 3.44Å; E49-R51 WeakPolarHBondContact OE1-CG 3.42Å; E49-R51 IonicContact OE1-CZ 3.16Å; E49-R51 IonicContact OE1-NE 2.75Å; E49-R51 PolarHBondContact OE1-NE 3.43Å; E49-R51 IonicContact OE1-NH2 2.75Å; E49-R51 PolarHBondContact OE1-NH2 3.1Å; E49-R51 IonicContact OE2-CZ 3.07Å; E49-R51 IonicContact OE2-NE 3.48Å; E49-R51 IonicContact OE2-NH2 2.67Å; E49-R51 PolarHBondContact OE2-NH2 3.44Å; R51-I53 PolarHBondContact O-N 3.29Å; R51-L112 HydrophobicContact CB-CD2 4.48Å; R51-L112 WeakPolarHBondContact CD-O 3.48Å; R51-L112 HydrophobicContact CG-CD1 3.88Å; R51-L112 HydrophobicContact CG-CD2 4.08Å; R51-L112 HydrophobicContact CG-CG 3.95Å; R51-L112 PolarHBondContact NH1-O 2.91Å; R51-W113 HydrophobicContact CB-CH2 3.72Å; R51-W113 HydrophobicContact CB-CZ2 4.4Å; R51-W113 HydrophobicContact CB-CZ3 4.04Å; R51-E115 IonicContact CZ-OE1 2.77Å; R51-E115 VanDerWaalsContact NH1-CD 3.29Å; R51-E115 IonicContact NH1-OE1 3.15Å; R51-E115 PolarHBondContact NH1-OE1 2.84Å; R51-E115 IonicContact NH1-OE2 3.17Å; R51-E115 PolarHBondContact NH1-OE2 3.22Å; R51-E115 VanDerWaalsContact NH1-OE2 3.07Å; R51-E115 IonicContact NH2-OE1 2.7Å; R51-E115 PolarHBondContact NH2-OE1 3.47Å
52F96.9Very high93.9Very high0 Ų065.8 Ų65.80%035%0.345CS..SBendtrans-96.667178.1-69.3-69.8000111.2V45 E49 L78 L80 W113 I128 F132 L135V45-F52 HydrophobicContact CG1-CB 3.84Å; V45-F52 HydrophobicContact CG1-CD2 4.39Å; V45-F52 HydrophobicContact CG1-CG 4.39Å; E49-F52 HydrophobicContact CB-CD2 3.97Å; E49-F52 HydrophobicContact CG-CD2 3.35Å; E49-F52 HydrophobicContact CG-CE2 3.71Å; E49-F52 HydrophobicContact CG-CG 4.49Å; E49-F52 PolarHBondContact O-N 2.82Å; E49-F52 VanDerWaalsContact O-N 3.09Å; F52-L78 HydrophobicContact CD1-CD2 4.11Å; F52-L80 HydrophobicContact CD1-CD2 3.58Å; F52-L80 HydrophobicContact CE1-CD2 3.74Å; F52-W113 HydrophobicContact CD1-CH2 4.43Å; F52-W113 HydrophobicContact CE1-CH2 4.15Å; F52-W113 HydrophobicContact CE1-CZ3 4.1Å; F52-W113 HydrophobicContact CE2-CZ3 4.39Å; F52-W113 HydrophobicContact CZ-CH2 4.38Å; F52-W113 AromaticContact CZ-CZ3 3.91Å; F52-W113 HydrophobicContact CZ-CZ3 3.91Å; F52-I128 HydrophobicContact CE1-CG2 4.21Å; F52-I128 HydrophobicContact CZ-CG2 4.31Å; F52-F132 HydrophobicContact CB-CD2 4.4Å; F52-F132 HydrophobicContact CB-CE2 4.33Å; F52-F132 AromaticContact CD1-CD2 3.6Å; F52-F132 HydrophobicContact CD1-CD2 3.6Å; F52-F132 HydrophobicContact CD1-CE2 4.06Å; F52-F132 HydrophobicContact CD1-CG 4.35Å; F52-F132 HydrophobicContact CD2-CD2 4.13Å; F52-F132 HydrophobicContact CE1-CB 4.04Å; F52-F132 AromaticContact CE1-CD2 3.79Å; F52-F132 HydrophobicContact CE1-CD2 3.79Å; F52-F132 HydrophobicContact CE1-CG 4.13Å; F52-F132 HydrophobicContact CE2-CD2 4.32Å; F52-F132 AromaticContact CG-CD2 3.79Å; F52-F132 HydrophobicContact CG-CD2 3.79Å; F52-F132 HydrophobicContact CG-CE2 4.18Å; F52-F132 HydrophobicContact CZ-CB 3.94Å; F52-F132 HydrophobicContact CZ-CD2 4.16Å; F52-F132 HydrophobicContact CZ-CG 4.43Å; F52-L135 HydrophobicContact CD2-CD1 3.64Å; F52-L135 HydrophobicContact CE2-CD1 3.61Å
53I95.5Very high93.7Very high77 Ų7767.7 Ų67.740%0.39535%0.353SS..  trans-75.7133178.5-53.3170.3000109.1P50 R51 S55 L78P50-I53 VanDerWaalsContact O-CG1 3.27Å; P50-I53 WeakPolarHBondContact O-CG1 3.36Å; R51-I53 PolarHBondContact O-N 3.29Å; I53-S55 PolarHBondContact O-N 3.18Å; I53-L78 VanDerWaalsContact O-CD1 3.27Å; I53-L78 WeakPolarHBondContact O-CD1 3.35Å
54S94.3Very high93.3Very high35 Ų3564.9 Ų64.925%0.24534%0.342CS..  trans-63.8117.8176.3-1760000111.5L42 L56L42-S54 WeakPolarHBondContact CD1-OG 3.37Å; S54-L56 VanDerWaalsContact C-N 3.26Å; S54-L56 WeakPolarHBondContact OG-CB 3.3Å; S54-L56 PolarHBondContact OG-N 3.44Å
55S92.8Very high93Very high26 Ų2663.1 Ų63.118%0.18234%0.336CS..  trans-85.52169.162.30000113I53 S57 V77 Y79I53-S55 PolarHBondContact O-N 3.18Å; S55-S57 PolarHBondContact O-N 3.45Å; S55-V77 PolarHBondContact OG-O 3.07Å; S55-Y79 PolarHBondContact OG-N 2.85Å
56L92.3Very high93Very high14 Ų1464.6 Ų64.67%0.07334%0.344CS..  trans-78.190-176-171.868.8000110.2C35 V38 S54 Y63 V76C35-L56 HydrophobicContact CB-CD2 3.89Å; V38-L56 HydrophobicContact CB-CD2 3.99Å; V38-L56 HydrophobicContact CG1-CD2 3.77Å; S54-L56 VanDerWaalsContact C-N 3.26Å; S54-L56 WeakPolarHBondContact OG-CB 3.3Å; S54-L56 PolarHBondContact OG-N 3.44Å; L56-Y63 HydrophobicContact CD1-CD1 4.01Å; L56-Y63 HydrophobicContact CD1-CG 4.28Å; L56-Y63 HydrophobicContact CG-CD1 4.07Å; L56-V76 HydrophobicContact CD1-CG1 4.02Å; L56-V76 HydrophobicContact CD1-CG2 4.39Å
57S90.3Very high92.9Very high49 Ų4964 Ų6434%0.34334%0.341SS..  trans-116.8144.617764.40000110.8S55 Y63 E64S55-S57 PolarHBondContact O-N 3.45Å; S57-Y63 VanDerWaalsContact O-CA 3.31Å; S57-Y63 WeakPolarHBondContact O-CA 3.48Å; S57-E64 PolarHBondContact O-N 2.98Å
58E90.9Very high92.9Very high98 Ų9860.8 Ų60.846%0.45832%0.322SS..EExtended strand (participates in β ladder)trans-89.4115.6172.3-170.7173.3-173.100109.1R62 Y63E58-R62 CarbonylContact C-O 3.35Å; E58-R62 WeakPolarHBondContact CA-O 3.4Å; E58-Y63 HydrophobicContact CB-CD1 4.09Å; E58-Y63 HydrophobicContact CB-CE1 3.75Å; E58-Y63 HydrophobicContact CG-CE1 4.39Å; E58-Y63 HydrophobicContact CG-CE2 4.37Å; E58-Y63 PolarHBondContact OE2-OH 3.07Å
59I87.3Confident92.8Very high89 Ų8960.9 Ų60.946%0.45632%0.324SS..EExtended strand (participates in β ladder)trans-126.5127.5177.2-56.1174.8000107A61 R62I59-A61 VanDerWaalsContact C-N 3.28Å; I59-A61 PolarHBondContact O-N 3.17Å; I59-R62 PolarHBondContact N-O 2.8Å; I59-R62 PolarHBondContact O-N 2.75Å
60D86.5Confident92.7Very high154 Ų15460 Ų6082%0.82432%0.32SS*.THydrogen-bonded Turntrans50.743.7-179-59.4-33.4000114.1R62D60-R62 PolarHBondContact O-N 3.45Å
61A84.5Confident92.7Very high81 Ų8158.3 Ų58.367%0.66931%0.309SS*.THydrogen-bonded Turntrans60.522.2-177.900000114.9I59I59-A61 VanDerWaalsContact C-N 3.28Å; I59-A61 PolarHBondContact O-N 3.17Å
62R88.6Confident92.8Very high188 Ų18858.9 Ų58.971%0.70932%0.317SS*.EExtended strand (participates in β ladder)trans-129.7146.3173.5-55-174.383.3-176.91.1109.3E58 I59 D60E58-R62 CarbonylContact C-O 3.35Å; E58-R62 WeakPolarHBondContact CA-O 3.4Å; I59-R62 PolarHBondContact N-O 2.8Å; I59-R62 PolarHBondContact O-N 2.75Å; D60-R62 PolarHBondContact O-N 3.45Å
63Y93.1Very high92.9Very high40 Ų4061.6 Ų61.616%0.15733%0.33CS..EExtended strand (participates in β ladder)trans-88.8123.1174.1-69.4-90000109.5I31 C35 L56 S57 E58 L66I31-Y63 HydrophobicContact CG2-CD2 3.36Å; I31-Y63 HydrophobicContact CG2-CE2 3.56Å; I31-Y63 HydrophobicContact CG2-CG 4.39Å; C35-Y63 HydrophobicContact CB-CD1 4.04Å; C35-Y63 HydrophobicContact CB-CE1 3.68Å; C35-Y63 HydrophobicContact CB-CE2 4.21Å; C35-Y63 HydrophobicContact CB-CG 4.45Å; L56-Y63 HydrophobicContact CD1-CD1 4.01Å; L56-Y63 HydrophobicContact CD1-CG 4.28Å; L56-Y63 HydrophobicContact CG-CD1 4.07Å; S57-Y63 VanDerWaalsContact O-CA 3.31Å; S57-Y63 WeakPolarHBondContact O-CA 3.48Å; E58-Y63 HydrophobicContact CB-CD1 4.09Å; E58-Y63 HydrophobicContact CB-CE1 3.75Å; E58-Y63 HydrophobicContact CG-CE1 4.39Å; E58-Y63 HydrophobicContact CG-CE2 4.37Å; E58-Y63 PolarHBondContact OE2-OH 3.07Å; Y63-L66 HydrophobicContact CD2-CD2 4.46Å; Y63-L66 PolarHBondContact O-N 2.97Å
64E90.5Very high93Very high73 Ų7358 Ų5834%0.34131%0.311SS..THydrogen-bonded Turntrans-64138.9175.4-170176.3-17800110S57 L66 Y79 K175S57-E64 PolarHBondContact O-N 2.98Å; E64-L66 PolarHBondContact O-N 2.86Å; E64-Y79 HydrophobicContact CG-CE2 4.38Å; E64-K175 IonicContact OE1-NZ 2.73Å; E64-K175 PolarHBondContact OE1-NZ 2.89Å
65G91.7Very high93.2Very high12 Ų1256.8 Ų56.812%0.12430%0.302CS..THydrogen-bonded Turntrans751-178.500000115.4V77G65-V77 WeakPolarHBondContact O-CB 3.45Å; G65-V77 WeakPolarHBondContact O-CG2 3.41Å; G65-V77 PolarHBondContact O-N 3.11Å
66L96.6Very high93.4Very high31 Ų3155.6 Ų55.616%0.16229%0.294CS..EExtended strand (participates in β ladder)trans-90.9125.4178.3-176.881.3000112.5I31 Y63 E64 F74 E75 V76I31-L66 HydrophobicContact CB-CD2 4.22Å; I31-L66 HydrophobicContact CD1-CD2 3.68Å; I31-L66 HydrophobicContact CG1-CD2 3.78Å; I31-L66 HydrophobicContact CG2-CD2 3.4Å; I31-L66 VanDerWaalsContact CG2-CD2 3.4Å; Y63-L66 HydrophobicContact CD2-CD2 4.46Å; Y63-L66 PolarHBondContact O-N 2.97Å; E64-L66 PolarHBondContact O-N 2.86Å; L66-F74 HydrophobicContact CD1-CB 4.2Å; L66-E75 CarbonylContact C-O 3.56Å; L66-E75 WeakPolarHBondContact CA-O 3.37Å; L66-V76 HydrophobicContact CD1-CG2 3.52Å
67E95.9Very high93.7Very high60 Ų6055 Ų5528%0.2829%0.291SS..EExtended strand (participates in β ladder)trans-111.5141.5170.6-62.6-161.7164.300112.9F74 E75 Q233E67-F74 WeakPolarHBondContact O-CA 3.44Å; E67-E75 HydrophobicContact CB-CB 4.39Å; E67-E75 PolarHBondContact N-O 2.86Å; E67-E75 PolarHBondContact O-N 3.32Å; E67-Q233 PolarHBondContact OE1-NE2 3.34Å
68V97Very high94.1Very high41 Ų4152.7 Ų52.725%0.24827%0.274CS..EExtended strand (participates in β ladder)trans-100.5105.6177.2-1790000109.8I27 I31 F74 N271I27-V68 HydrophobicContact CD1-CG1 4.09Å; I27-V68 HydrophobicContact CG2-CG1 4.04Å; I27-V68 HydrophobicContact CG2-CG2 3.99Å; I31-V68 HydrophobicContact CD1-CG2 3.88Å; V68-F74 HydrophobicContact CG1-CE1 4.25Å; V68-F74 HydrophobicContact CG2-CD1 4.15Å; V68-F74 HydrophobicContact CG2-CE1 4.17Å; V68-N271 PolarHBondContact O-ND2 3.42Å
69I95.9Very high94.4Very high61 Ų6149.6 Ų49.631%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-81.1-47.7177.9-57.5171.7000109.8E73 E75 R258 N271I69-E73 HydrophobicContact CB-CB 4.07Å; I69-E73 WeakPolarHBondContact CB-O 3.43Å; I69-E73 HydrophobicContact CG2-CB 4.41Å; I69-E73 PolarHBondContact N-O 2.87Å; I69-E75 HydrophobicContact CD1-CB 4.13Å; I69-R258 VanDerWaalsContact O-CZ 3.28Å; I69-R258 PolarHBondContact O-NH1 3.1Å; I69-R258 PolarHBondContact O-NH2 3.49Å; I69-N271 PolarHBondContact O-ND2 2.77Å; I69-N271 VanDerWaalsContact O-ND2 3.15Å
70S94.7Very high94.8Very high4 Ų446 Ų463%0.02824%0.24CC..EExtended strand (participates in β ladder)trans-147.9173.9175.778.90000110T72 E73S70-T72 PolarHBondContact O-N 2.83Å; S70-T72 PolarHBondContact OG-N 2.82Å; S70-T72 PolarHBondContact OG-OG1 3.16Å; S70-E73 WeakPolarHBondContact CB-OE2 3.38Å; S70-E73 PolarHBondContact N-O 3.5Å; S70-E73 PolarHBondContact O-N 2.83Å; S70-E73 VanDerWaalsContact O-O 3.08Å; S70-E73 VanDerWaalsContact OG-CB 3.24Å; S70-E73 WeakPolarHBondContact OG-CB 3.46Å; S70-E73 WeakPolarHBondContact OG-CG 3.47Å; S70-E73 PolarHBondContact OG-N 2.73Å; S70-E73 VanDerWaalsContact OG-N 3.09Å; S70-E73 PolarHBondContact OG-OE2 2.92Å
71P96.3Very high95Very high50 Ų5042.3 Ų42.333%0.32522%0.22SC..THydrogen-bonded Turntrans-58.3-16.7175.8-26.436.8000114.5I27 D259I27-P71 HydrophobicContact CG1-CB 4.4Å; P71-D259 WeakPolarHBondContact CD-OD2 3.45Å; P71-D259 HydrophobicContact CG-CB 4.25Å; P71-D259 VanDerWaalsContact CG-OD2 3.28Å; P71-D259 WeakPolarHBondContact CG-OD2 3.43Å
72T97.4Very high94.8Very high53 Ų5347.1 Ų47.133%0.32523%0.229SC..THydrogen-bonded Turntrans-123.1-0.6-178.6510000113.6S70 Y166 V167S70-T72 PolarHBondContact O-N 2.83Å; S70-T72 PolarHBondContact OG-N 2.82Å; S70-T72 PolarHBondContact OG-OG1 3.16Å; T72-Y166 HydrophobicContact CG2-CD1 4.14Å; T72-Y166 HydrophobicContact CG2-CE1 4.33Å; T72-Y166 CarbonylContact O-C 3.58Å; T72-Y166 WeakPolarHBondContact O-CA 3.25Å; T72-V167 PolarHBondContact O-N 3.26Å
73E97.9Very high94.5Very high57 Ų5740.6 Ų40.627%0.26621%0.207SC..EExtended strand (participates in β ladder)trans-129.4131-177.2-61.5168.1105.800111.4I69 S70 V167I69-E73 HydrophobicContact CB-CB 4.07Å; I69-E73 WeakPolarHBondContact CB-O 3.43Å; I69-E73 HydrophobicContact CG2-CB 4.41Å; I69-E73 PolarHBondContact N-O 2.87Å; S70-E73 WeakPolarHBondContact CB-OE2 3.38Å; S70-E73 PolarHBondContact N-O 3.5Å; S70-E73 PolarHBondContact O-N 2.83Å; S70-E73 VanDerWaalsContact O-O 3.08Å; S70-E73 VanDerWaalsContact OG-CB 3.24Å; S70-E73 WeakPolarHBondContact OG-CB 3.46Å; S70-E73 WeakPolarHBondContact OG-CG 3.47Å; S70-E73 PolarHBondContact OG-N 2.73Å; S70-E73 VanDerWaalsContact OG-N 3.09Å; S70-E73 PolarHBondContact OG-OE2 2.92Å; E73-V167 VanDerWaalsContact CA-O 3.3Å; E73-V167 WeakPolarHBondContact CA-O 3.36Å; E73-V167 HydrophobicContact CG-CB 4.29Å
74F98.3Very high94.2Very high2 Ų241.7 Ų41.71%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-134.9151.9-174.3-53-87000110.8I27 T30 I31 V34 L66 E67 V68 V167 V168 Q169I27-F74 HydrophobicContact CG2-CE1 4.17Å; T30-F74 HydrophobicContact CG2-CE2 3.67Å; T30-F74 HydrophobicContact CG2-CZ 3.56Å; I31-F74 HydrophobicContact CD1-CE1 4.25Å; I31-F74 HydrophobicContact CG1-CD1 4.08Å; I31-F74 HydrophobicContact CG1-CE1 3.59Å; I31-F74 HydrophobicContact CG1-CZ 4.31Å; V34-F74 HydrophobicContact CG1-CD2 4.46Å; V34-F74 HydrophobicContact CG2-CD2 4.22Å; V34-F74 HydrophobicContact CG2-CE2 4.13Å; L66-F74 HydrophobicContact CD1-CB 4.2Å; E67-F74 WeakPolarHBondContact O-CA 3.44Å; V68-F74 HydrophobicContact CG1-CE1 4.25Å; V68-F74 HydrophobicContact CG2-CD1 4.15Å; V68-F74 HydrophobicContact CG2-CE1 4.17Å; F74-V167 PolarHBondContact N-O 2.96Å; F74-V168 HydrophobicContact CB-CG1 4.36Å; F74-V168 HydrophobicContact CD2-CG2 4.46Å; F74-V168 WeakPolarHBondContact O-CA 3.36Å; F74-Q169 PolarHBondContact O-N 3.02Å
75E98.2Very high94.2Very high10 Ų1039.4 Ų39.45%0.04722%0.222CC..EExtended strand (participates in β ladder)trans-119.1126.4167-178.1172.2-168.700108.5L66 E67 I69 Q169 T171 K213L66-E75 CarbonylContact C-O 3.56Å; L66-E75 WeakPolarHBondContact CA-O 3.37Å; E67-E75 HydrophobicContact CB-CB 4.39Å; E67-E75 PolarHBondContact N-O 2.86Å; E67-E75 PolarHBondContact O-N 3.32Å; I69-E75 HydrophobicContact CD1-CB 4.13Å; E75-Q169 CarbonylContact C-O 3.4Å; E75-Q169 WeakPolarHBondContact CA-O 3.08Å; E75-Q169 HydrophobicContact CG-CB 4.44Å; E75-T171 WeakPolarHBondContact OE1-CB 3.33Å; E75-T171 PolarHBondContact OE1-OG1 2.99Å; E75-K213 VanDerWaalsContact CD-NZ 3.3Å; E75-K213 IonicContact OE1-NZ 3.95Å; E75-K213 PolarHBondContact OE1-NZ 3.15Å; E75-K213 IonicContact OE2-NZ 3.38Å; E75-K213 PolarHBondContact OE2-NZ 3.16Å
76V98.2Very high94.4Very high1 Ų139.2 Ų39.21%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-104.5113.3172.1173.70000107.2V38 L56 L66 L78 V168 Q169 I170 T171V38-V76 HydrophobicContact CG1-CG1 4.44Å; V38-V76 HydrophobicContact CG1-CG2 4.39Å; L56-V76 HydrophobicContact CD1-CG1 4.02Å; L56-V76 HydrophobicContact CD1-CG2 4.39Å; L66-V76 HydrophobicContact CD1-CG2 3.52Å; V76-L78 PolarHBondContact O-N 2.71Å; V76-V168 HydrophobicContact CG2-CG1 3.84Å; V76-Q169 PolarHBondContact N-O 3.12Å; V76-I170 HydrophobicContact CB-CG1 4.49Å; V76-I170 CarbonylContact O-C 3.6Å; V76-I170 WeakPolarHBondContact O-CA 3.28Å; V76-T171 PolarHBondContact O-N 3.12Å
77V97.8Very high94.3Very high2 Ų241.9 Ų41.91%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-79.5113.1172.4-177.90000108.3S55 G65 Y79 A173 L211S55-V77 PolarHBondContact OG-O 3.07Å; G65-V77 WeakPolarHBondContact O-CB 3.45Å; G65-V77 WeakPolarHBondContact O-CG2 3.41Å; G65-V77 PolarHBondContact O-N 3.11Å; V77-Y79 HydrophobicContact CG1-CD1 4Å; V77-Y79 HydrophobicContact CG1-CE1 3.57Å; V77-Y79 HydrophobicContact CG1-CE2 4.38Å; V77-Y79 PolarHBondContact O-N 3.03Å; V77-A173 HydrophobicContact CG1-CB 3.41Å; V77-A173 VanDerWaalsContact CG1-CB 3.41Å; V77-L211 HydrophobicContact CG2-CD2 4.39Å
78L98Very high94.3Very high0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-89.7101.4176.3179.966.6000108.9L42 F52 I53 V76 L80 F132 I170 T171 P172 A173L42-L78 HydrophobicContact CD1-CD1 4.2Å; L42-L78 HydrophobicContact CD2-CD2 4.21Å; F52-L78 HydrophobicContact CD1-CD2 4.11Å; I53-L78 VanDerWaalsContact O-CD1 3.27Å; I53-L78 WeakPolarHBondContact O-CD1 3.35Å; V76-L78 PolarHBondContact O-N 2.71Å; L78-L80 HydrophobicContact CD2-CD2 4.48Å; L78-L80 PolarHBondContact O-N 3.3Å; L78-F132 HydrophobicContact CD2-CD2 4.37Å; L78-F132 HydrophobicContact CD2-CE1 4.24Å; L78-F132 HydrophobicContact CD2-CE2 3.56Å; L78-F132 HydrophobicContact CD2-CZ 3.5Å; L78-F132 VanDerWaalsContact CD2-CZ 3.5Å; L78-I170 HydrophobicContact CB-CG2 4.05Å; L78-T171 PolarHBondContact N-O 3.27Å; L78-P172 CarbonylContact O-C 3.54Å; L78-A173 PolarHBondContact O-N 2.91Å
79Y97.1Very high94.1Very high32 Ų3241.4 Ų41.413%0.12523%0.23CC..EExtended strand (participates in β ladder)trans-73.1112178.6-67-60.6000110.5S55 E64 V77 A173 K175 N209 E236S55-Y79 PolarHBondContact OG-N 2.85Å; E64-Y79 HydrophobicContact CG-CE2 4.38Å; V77-Y79 HydrophobicContact CG1-CD1 4Å; V77-Y79 HydrophobicContact CG1-CE1 3.57Å; V77-Y79 HydrophobicContact CG1-CE2 4.38Å; V77-Y79 PolarHBondContact O-N 3.03Å; Y79-A173 HydrophobicContact CD1-CB 4.36Å; Y79-K175 HydrophobicContact CD1-CB 3.99Å; Y79-K175 HydrophobicContact CE1-CB 4.05Å; Y79-K175 HydrophobicContact CE1-CD 4.36Å; Y79-N209 WeakPolarHBondContact CE1-OD1 3.42Å; Y79-N209 PolarHBondContact OH-ND2 2.92Å; Y79-E236 PolarHBondContact OH-OE1 3.32Å
80L96.5Very high94.1Very high15 Ų1539.2 Ų39.28%0.07922%0.219CC..PPolyproline II helixtrans-72.9157.7173.2-56.6-177.7000110.1F52 L78 W113 I128 P172 A173 F174F52-L80 HydrophobicContact CD1-CD2 3.58Å; F52-L80 HydrophobicContact CE1-CD2 3.74Å; L78-L80 HydrophobicContact CD2-CD2 4.48Å; L78-L80 PolarHBondContact O-N 3.3Å; L80-W113 HydrophobicContact CB-CH2 4.45Å; L80-W113 HydrophobicContact CB-CZ2 3.85Å; L80-W113 HydrophobicContact CD1-CH2 4.14Å; L80-W113 HydrophobicContact CD1-CZ2 4.04Å; L80-W113 HydrophobicContact CD2-CH2 3.96Å; L80-W113 HydrophobicContact CD2-CZ2 4.23Å; L80-W113 HydrophobicContact CG-CH2 4.41Å; L80-W113 HydrophobicContact CG-CZ2 4.26Å; L80-I128 HydrophobicContact CD1-CD1 4.48Å; L80-I128 HydrophobicContact CD1-CG2 4.09Å; L80-P172 HydrophobicContact CD1-CB 4.12Å; L80-P172 HydrophobicContact CD2-CB 4.37Å; L80-P172 HydrophobicContact CG-CB 4.36Å; L80-A173 PolarHBondContact N-O 2.97Å; L80-F174 HydrophobicContact CB-CD1 4.04Å; L80-F174 HydrophobicContact CB-CE1 3.71Å; L80-F174 HydrophobicContact CB-CZ 4.2Å; L80-F174 HydrophobicContact CD1-CE1 4.23Å; L80-F174 HydrophobicContact CD1-CE2 4.15Å; L80-F174 HydrophobicContact CD1-CZ 3.85Å
81N90.1Very high93.7Very high75 Ų7544 Ų4440%0.40124%0.244SC..SBendtrans-51.5156.7171.1-77-40000111.8L112 F174N81-L112 HydrophobicContact CB-CD2 3.94Å; N81-F174 WeakPolarHBondContact O-CD1 3.42Å; N81-F174 WeakPolarHBondContact O-CE1 3.25Å
82Q81.4Confident92.9Very high182 Ų18243.7 Ų43.785%0.8525%0.25SS*.PPolyproline II helixtrans-48.6143.4-171.3-62.3-177-0.900113.9G84Q82-G84 PolarHBondContact O-N 3.38Å; Q82-G84 VanDerWaalsContact O-N 3.11Å
83M81.8Confident92.3Very high52 Ų5244.9 Ų44.926%0.25626%0.26SS..  trans-58.9-23.4178.161.5-176.2166.300113.6V85 F86 L100 F174M83-V85 PolarHBondContact O-N 3.2Å; M83-F86 WeakPolarHBondContact O-CD2 3.49Å; M83-F86 PolarHBondContact O-N 2.9Å; M83-L100 HydrophobicContact SD-CD2 4.37Å; M83-F174 HydrophobicContact CB-CD1 4.27Å
84G87Confident91.7Very high63 Ų6343 Ų4365%0.64925%0.252SS*.THydrogen-bonded Turntrans60.2-106172.300000113.7Q82 F86Q82-G84 PolarHBondContact O-N 3.38Å; Q82-G84 VanDerWaalsContact O-N 3.11Å; G84-F86 VanDerWaalsContact C-N 3.35Å; G84-F86 PolarHBondContact O-N 3.28Å
85V90.9Very high91.3Very high25 Ų2545.1 Ų45.115%0.15227%0.266CS..THydrogen-bonded Turntrans-85.51.6-168.9-61.60000115M83 L102 S103 K107 M110M83-V85 PolarHBondContact O-N 3.2Å; V85-L102 HydrophobicContact CG2-CD2 3.73Å; V85-S103 WeakPolarHBondContact O-CB 3.27Å; V85-S103 PolarHBondContact O-N 3.35Å; V85-S103 PolarHBondContact O-OG 2.93Å; V85-K107 HydrophobicContact CB-CB 4.07Å; V85-K107 HydrophobicContact CB-CD 4.25Å; V85-K107 HydrophobicContact CG1-CB 4.03Å; V85-K107 HydrophobicContact CG1-CD 4.05Å; V85-K107 HydrophobicContact CG2-CB 4.46Å; V85-M110 HydrophobicContact CG1-CE 4Å
86F95.2Very high91.1Very high7 Ų745 Ų453%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-90.6139.8179.3-61.2-75.7000112.2M83 G84 L100 K101 L102 S111 I117 L123M83-F86 WeakPolarHBondContact O-CD2 3.49Å; M83-F86 PolarHBondContact O-N 2.9Å; G84-F86 VanDerWaalsContact C-N 3.35Å; G84-F86 PolarHBondContact O-N 3.28Å; F86-L100 HydrophobicContact CB-CB 4.12Å; F86-L100 HydrophobicContact CB-CD2 4.27Å; F86-L100 HydrophobicContact CG-CB 4.34Å; F86-K101 CarbonylContact C-O 3.52Å; F86-K101 WeakPolarHBondContact CA-O 3.45Å; F86-L102 HydrophobicContact CD1-CD2 3.95Å; F86-L102 HydrophobicContact CD1-CG 4.17Å; F86-L102 HydrophobicContact CE1-CD2 3.53Å; F86-L102 HydrophobicContact CE1-CG 3.75Å; F86-L102 HydrophobicContact CZ-CD2 4.06Å; F86-S111 VanDerWaalsContact CE2-OG 3.27Å; F86-S111 WeakPolarHBondContact CE2-OG 3.44Å; F86-S111 WeakPolarHBondContact CZ-OG 3.47Å; F86-I117 HydrophobicContact CE1-CD1 4.02Å; F86-I117 HydrophobicContact CE1-CG1 4.11Å; F86-I117 HydrophobicContact CZ-CD1 3.63Å; F86-I117 HydrophobicContact CZ-CG1 3.78Å; F86-L123 HydrophobicContact CD1-CB 4.1Å; F86-L123 HydrophobicContact CD2-CD2 4.01Å; F86-L123 HydrophobicContact CE1-CB 3.73Å; F86-L123 HydrophobicContact CE2-CB 4.24Å; F86-L123 HydrophobicContact CE2-CD1 4.17Å; F86-L123 HydrophobicContact CE2-CD2 3.74Å; F86-L123 HydrophobicContact CE2-CG 4.27Å; F86-L123 HydrophobicContact CZ-CB 3.83Å; F86-L123 HydrophobicContact CZ-CD1 3.83Å; F86-L123 HydrophobicContact CZ-CD2 4.12Å; F86-L123 HydrophobicContact CZ-CG 4.15Å
87N94.7Very high90.9Very high87 Ų8745 Ų4547%0.46527%0.268SS..EExtended strand (participates in β ladder)trans-87.6134.3164.3-67.5-22.3000109.2V89 L100 K101N87-V89 HydrophobicContact CB-CG2 4.49Å; N87-L100 WeakPolarHBondContact O-CA 3.07Å; N87-K101 PolarHBondContact N-O 2.89Å; N87-K101 PolarHBondContact O-N 3.14Å
88F95Very high90.8Very high41 Ų4145.1 Ų45.118%0.1827%0.268CS..EExtended strand (participates in β ladder)trans-70.7125.6163.6168-104.2000109.7D90 A98 L100 I179 P181 F208 L210 L232F88-D90 HydrophobicContact CE1-CB 3.72Å; F88-D90 HydrophobicContact CE2-CB 4.2Å; F88-D90 HydrophobicContact CZ-CB 3.43Å; F88-D90 VanDerWaalsContact CZ-CB 3.43Å; F88-A98 HydrophobicContact CD2-CB 4.04Å; F88-A98 HydrophobicContact CE2-CB 3.29Å; F88-A98 HydrophobicContact CZ-CB 4.01Å; F88-L100 HydrophobicContact CB-CD2 4.47Å; F88-I179 HydrophobicContact CB-CD1 3.8Å; F88-I179 HydrophobicContact CD1-CD1 3.79Å; F88-I179 HydrophobicContact CG-CD1 3.93Å; F88-P181 HydrophobicContact CE1-CB 4.41Å; F88-P181 HydrophobicContact CZ-CB 3.97Å; F88-P181 HydrophobicContact CZ-CG 4.17Å; F88-F208 HydrophobicContact CD1-CZ 4.12Å; F88-F208 HydrophobicContact CD2-CE2 4.05Å; F88-F208 AromaticContact CD2-CZ 3.85Å; F88-F208 HydrophobicContact CD2-CZ 3.85Å; F88-F208 AromaticContact CE1-CZ 3.83Å; F88-F208 HydrophobicContact CE1-CZ 3.83Å; F88-F208 AromaticContact CE2-CE2 3.53Å; F88-F208 HydrophobicContact CE2-CE2 3.53Å; F88-F208 AromaticContact CE2-CZ 3.52Å; F88-F208 HydrophobicContact CE2-CZ 3.52Å; F88-F208 HydrophobicContact CG-CZ 4.12Å; F88-F208 HydrophobicContact CZ-CE1 4.48Å; F88-F208 AromaticContact CZ-CE2 3.84Å; F88-F208 HydrophobicContact CZ-CE2 3.84Å; F88-F208 AromaticContact CZ-CZ 3.51Å; F88-F208 HydrophobicContact CZ-CZ 3.51Å; F88-L210 HydrophobicContact CD2-CD1 4.02Å; F88-L210 HydrophobicContact CD2-CD2 4.33Å; F88-L210 HydrophobicContact CE2-CD2 4.04Å; F88-L232 HydrophobicContact CE2-CD2 4.07Å; F88-L232 HydrophobicContact CZ-CD2 4.27Å
89V94.7Very high90.6Very high50 Ų5046 Ų4630%0.30327%0.274SS..EExtended strand (participates in β ladder)trans-125.6117.3179.3-176.80000109.2N87 V99 K101N87-V89 HydrophobicContact CB-CG2 4.49Å; V89-V99 HydrophobicContact CB-CG2 3.83Å; V89-V99 HydrophobicContact CG1-CG2 4.27Å; V89-V99 PolarHBondContact N-O 3.22Å; V89-V99 PolarHBondContact O-N 3.4Å; V89-K101 HydrophobicContact CG2-CB 4.18Å
90D94.3Very high90.6Very high16 Ų1644.5 Ų44.59%0.08627%0.268CS..  trans-130.7100.6175.2169.421.4000108.4F88 G92 A98 P181 R182 S183F88-D90 HydrophobicContact CE1-CB 3.72Å; F88-D90 HydrophobicContact CE2-CB 4.2Å; F88-D90 HydrophobicContact CZ-CB 3.43Å; F88-D90 VanDerWaalsContact CZ-CB 3.43Å; D90-G92 PolarHBondContact OD1-N 2.96Å; D90-A98 HydrophobicContact CB-CB 4.24Å; D90-P181 WeakPolarHBondContact OD2-CB 3.47Å; D90-R182 WeakPolarHBondContact O-CB 3.48Å; D90-R182 WeakPolarHBondContact OD2-CA 3.43Å; D90-R182 PolarHBondContact OD2-N 2.87Å; D90-S183 WeakPolarHBondContact OD2-CB 3.4Å; D90-S183 PolarHBondContact OD2-N 3.49Å; D90-S183 PolarHBondContact OD2-OG 3.5Å; D90-S183 VanDerWaalsContact OD2-OG 3.07Å
91D86.5Confident90.5Very high103 Ų10347.8 Ų47.855%0.55128%0.282SS*.  trans-103.13.4179.763.35.3000112.5S93D91-S93 PolarHBondContact O-N 3.04Å; D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 3.01Å; D91-S93 PolarHBondContact OD1-OG 3.33Å
92G81Confident90.7Very high45 Ų4545 Ų4546%0.46427%0.267SS..SBendtrans73.53.8-177.100000115.3D90 L94D90-G92 PolarHBondContact OD1-N 2.96Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.28Å
93S83.4Confident91.3Very high77 Ų7738.7 Ų38.754%0.53824%0.243SC..SBendtrans-68.9-26.1178.463.60000113.2D91D91-S93 PolarHBondContact O-N 3.04Å; D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 3.01Å; D91-S93 PolarHBondContact OD1-OG 3.33Å
94L86.8Confident91.9Very high17 Ų1738.4 Ų38.49%0.08924%0.242CC..SBendtrans-116.798.5-178.2-56.8178.2000110.1G92 G96 C97 V99 L218 E226 A229G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.28Å; L94-G96 PolarHBondContact O-N 3.47Å; L94-G96 VanDerWaalsContact O-N 3.15Å; L94-C97 HydrophobicContact CB-CB 3.89Å; L94-C97 PolarHBondContact O-N 3.41Å; L94-V99 HydrophobicContact CD1-CG1 4.06Å; L94-L218 HydrophobicContact CD2-CD2 3.98Å; L94-E226 HydrophobicContact CD2-CB 4.4Å; L94-E226 HydrophobicContact CD2-CG 3.5Å; L94-A229 HydrophobicContact CD1-CB 3.52Å
95P89.7Confident92.1Very high48 Ų4838 Ų3831%0.31224%0.237SC..THydrogen-bonded Turntrans-59121.8-179-23.733.4000111.6C97 S217P95-C97 VanDerWaalsContact C-N 3.31Å; P95-S217 PolarHBondContact O-OG 3.23Å
96G93.2Very high92.2Very high6 Ų646.6 Ų46.66%0.06227%0.267CS..THydrogen-bonded Turntrans84.5-2.2-179.100000115.2L94 L232L94-G96 PolarHBondContact O-N 3.47Å; L94-G96 VanDerWaalsContact O-N 3.15Å; G96-L232 PolarHBondContact O-N 2.92Å
97C94.5Very high92.1Very high3 Ų350.1 Ų50.12%0.0228%0.282CS..EExtended strand (participates in β ladder)trans-133.3163.1-173.4-540000112.1L94 P95 A229 W230L94-C97 HydrophobicContact CB-CB 3.89Å; L94-C97 PolarHBondContact O-N 3.41Å; P95-C97 VanDerWaalsContact C-N 3.31Å; C97-A229 HydrophobicContact CB-CB 3.96Å; C97-W230 CarbonylContact C-O 3.54Å; C97-W230 WeakPolarHBondContact CA-O 3.34Å; C97-W230 WeakPolarHBondContact CB-O 3.49Å
98A94.9Very high92.1Very high3 Ų349.5 Ų49.53%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-142.1172.9173.700000110.2F88 D90 L210 A229 W230 L232F88-A98 HydrophobicContact CD2-CB 4.04Å; F88-A98 HydrophobicContact CE2-CB 3.29Å; F88-A98 HydrophobicContact CZ-CB 4.01Å; D90-A98 HydrophobicContact CB-CB 4.24Å; A98-L210 HydrophobicContact CB-CD2 4.13Å; A98-A229 WeakPolarHBondContact O-CA 3.27Å; A98-W230 PolarHBondContact N-O 3.12Å; A98-W230 PolarHBondContact O-N 3.22Å; A98-L232 HydrophobicContact CB-CD2 4.23Å; A98-L232 HydrophobicContact CB-CG 4.44Å
99V94.9Very high92Very high19 Ų1952.3 Ų52.312%0.11530%0.299CS..EExtended strand (participates in β ladder)trans-124.9151.8177.8-59.90000111.2V89 L94 Y122 A229V89-V99 HydrophobicContact CB-CG2 3.83Å; V89-V99 HydrophobicContact CG1-CG2 4.27Å; V89-V99 PolarHBondContact N-O 3.22Å; V89-V99 PolarHBondContact O-N 3.4Å; L94-V99 HydrophobicContact CD1-CG1 4.06Å; V99-Y122 HydrophobicContact CB-CD1 3.96Å; V99-Y122 HydrophobicContact CB-CE1 4.21Å; V99-Y122 HydrophobicContact CG2-CD1 3.89Å; V99-Y122 HydrophobicContact CG2-CE1 3.64Å; V99-A229 HydrophobicContact CG1-CB 4.15Å
100L95.6Very high91.9Very high1 Ų155.8 Ų55.81%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-106.3118.6173.3-71.7173.8000108.5M83 F86 N87 F88 Y122 L123 F174 L210 W230M83-L100 HydrophobicContact SD-CD2 4.37Å; F86-L100 HydrophobicContact CB-CB 4.12Å; F86-L100 HydrophobicContact CB-CD2 4.27Å; F86-L100 HydrophobicContact CG-CB 4.34Å; N87-L100 WeakPolarHBondContact O-CA 3.07Å; F88-L100 HydrophobicContact CB-CD2 4.47Å; L100-Y122 CarbonylContact O-C 3.51Å; L100-Y122 VanDerWaalsContact O-CA 3.26Å; L100-Y122 WeakPolarHBondContact O-CA 3.31Å; L100-L123 HydrophobicContact CB-CB 3.99Å; L100-L123 HydrophobicContact CD1-CD2 4Å; L100-L123 PolarHBondContact O-N 2.91Å; L100-F174 HydrophobicContact CD1-CD2 3.64Å; L100-F174 HydrophobicContact CD1-CE2 3.92Å; L100-F174 HydrophobicContact CD1-CG 4.45Å; L100-L210 HydrophobicContact CD1-CD1 4.07Å; L100-L210 HydrophobicContact CD2-CD1 3.73Å; L100-L210 HydrophobicContact CG-CD1 3.92Å; L100-W230 HydrophobicContact CD1-CD2 4.37Å; L100-W230 HydrophobicContact CD1-CZ2 4.37Å
101K94.8Very high91.9Very high84 Ų8455.7 Ų55.737%0.36531%0.313SS..EExtended strand (participates in β ladder)trans-119.6138.2-177.6-169.5175.5-175.2170.20110.7F86 N87 V89 S103 G121 Y122F86-K101 CarbonylContact C-O 3.52Å; F86-K101 WeakPolarHBondContact CA-O 3.45Å; N87-K101 PolarHBondContact N-O 2.89Å; N87-K101 PolarHBondContact O-N 3.14Å; V89-K101 HydrophobicContact CG2-CB 4.18Å; K101-S103 PolarHBondContact O-N 3.26Å; K101-G121 WeakPolarHBondContact CA-O 3.48Å; K101-Y122 HydrophobicContact CB-CD1 3.92Å; K101-Y122 HydrophobicContact CB-CE1 3.9Å; K101-Y122 HydrophobicContact CD-CD1 4.45Å; K101-Y122 HydrophobicContact CD-CE1 3.77Å; K101-Y122 HydrophobicContact CG-CD1 4.12Å; K101-Y122 HydrophobicContact CG-CE1 3.95Å
102L95.2Very high92.3Very high17 Ų1754.4 Ų54.49%0.08931%0.306CS..EExtended strand (participates in β ladder)trans-52.9130.6174.9-78.3174.5000110.6V85 F86 D104 R108 I117 G121V85-L102 HydrophobicContact CG2-CD2 3.73Å; F86-L102 HydrophobicContact CD1-CD2 3.95Å; F86-L102 HydrophobicContact CD1-CG 4.17Å; F86-L102 HydrophobicContact CE1-CD2 3.53Å; F86-L102 HydrophobicContact CE1-CG 3.75Å; F86-L102 HydrophobicContact CZ-CD2 4.06Å; L102-D104 VanDerWaalsContact C-N 3.27Å; L102-D104 PolarHBondContact O-N 3.22Å; L102-R108 HydrophobicContact CD1-CB 3.81Å; L102-R108 HydrophobicContact CD1-CG 4.16Å; L102-I117 HydrophobicContact CD1-CD1 4.2Å; L102-I117 HydrophobicContact CD1-CG2 3.87Å; L102-I117 HydrophobicContact CD2-CD1 4.1Å; L102-I117 HydrophobicContact CG-CD1 4.36Å; L102-I117 HydrophobicContact CG-CG2 4.22Å; L102-G121 PolarHBondContact N-O 2.83Å
103S94.2Very high93Very high48 Ų4852.4 Ų52.434%0.33629%0.285SS..SBendtrans-64.9-33.7174.753.50000112.5V85 K101V85-S103 WeakPolarHBondContact O-CB 3.27Å; V85-S103 PolarHBondContact O-N 3.35Å; V85-S103 PolarHBondContact O-OG 2.93Å; K101-S103 PolarHBondContact O-N 3.26Å
104D93.2Very high93.5Very high47 Ų4751.8 Ų51.825%0.25128%0.277SS..  trans-151.4132.3176.3-179.6-20.8000108.5L102 R106 K107L102-D104 VanDerWaalsContact C-N 3.27Å; L102-D104 PolarHBondContact O-N 3.22Å; D104-R106 PolarHBondContact O-N 3.2Å; D104-R106 WeakPolarHBondContact OD1-CB 3.34Å; D104-R106 WeakPolarHBondContact OD1-CG 3.39Å; D104-R106 PolarHBondContact OD1-N 3.11Å; D104-R106 IonicContact OD1-NE 3.27Å; D104-R106 PolarHBondContact OD1-NE 3.06Å; D104-R106 IonicContact OD2-CZ 3.23Å; D104-R106 VanDerWaalsContact OD2-CZ 3.23Å; D104-R106 IonicContact OD2-NE 2.96Å; D104-R106 PolarHBondContact OD2-NE 3.13Å; D104-R106 IonicContact OD2-NH2 2.69Å; D104-R106 PolarHBondContact OD2-NH2 2.97Å; D104-K107 HydrophobicContact CB-CD 4.24Å; D104-K107 HydrophobicContact CB-CG 4.06Å; D104-K107 WeakPolarHBondContact O-CB 3.44Å; D104-K107 PolarHBondContact O-N 3.09Å
105G90.9Very high93.9Very high53 Ų5355.1 Ų55.155%0.54629%0.293SS..G310 helixtrans-58.4-28.3-18000000113.6K107 R108G105-K107 PolarHBondContact O-N 3.26Å; G105-R108 VanDerWaalsContact O-CB 3.27Å; G105-R108 WeakPolarHBondContact O-CB 3.33Å; G105-R108 PolarHBondContact O-N 2.84Å
106R93.4Very high94.2Very high206 Ų20653.4 Ų53.478%0.77728%0.28SS*.G310 helixtrans-65.9-22.7176.2-64.1177.1-68.5178.4-1.2112.9D104 R108D104-R106 PolarHBondContact O-N 3.2Å; D104-R106 WeakPolarHBondContact OD1-CB 3.34Å; D104-R106 WeakPolarHBondContact OD1-CG 3.39Å; D104-R106 PolarHBondContact OD1-N 3.11Å; D104-R106 IonicContact OD1-NE 3.27Å; D104-R106 PolarHBondContact OD1-NE 3.06Å; D104-R106 IonicContact OD2-CZ 3.23Å; D104-R106 VanDerWaalsContact OD2-CZ 3.23Å; D104-R106 IonicContact OD2-NE 2.96Å; D104-R106 PolarHBondContact OD2-NE 3.13Å; D104-R106 IonicContact OD2-NH2 2.69Å; D104-R106 PolarHBondContact OD2-NH2 2.97Å; R106-R108 VanDerWaalsContact C-N 3.3Å; R106-R108 PolarHBondContact O-N 3.35Å
107K93Very high94.3Very high81 Ų8153.6 Ų53.635%0.35228%0.28SS..G310 helixtrans-84.6-1179.7-60-171.1-178.5174.60113.5V85 D104 G105 S109 M110V85-K107 HydrophobicContact CB-CB 4.07Å; V85-K107 HydrophobicContact CB-CD 4.25Å; V85-K107 HydrophobicContact CG1-CB 4.03Å; V85-K107 HydrophobicContact CG1-CD 4.05Å; V85-K107 HydrophobicContact CG2-CB 4.46Å; D104-K107 HydrophobicContact CB-CD 4.24Å; D104-K107 HydrophobicContact CB-CG 4.06Å; D104-K107 WeakPolarHBondContact O-CB 3.44Å; D104-K107 PolarHBondContact O-N 3.09Å; G105-K107 PolarHBondContact O-N 3.26Å; K107-S109 VanDerWaalsContact C-N 3.33Å; K107-S109 PolarHBondContact O-N 2.82Å; K107-M110 HydrophobicContact CB-CE 3.52Å; K107-M110 HydrophobicContact CD-CE 3.76Å; K107-M110 HydrophobicContact CG-CE 3.38Å; K107-M110 WeakPolarHBondContact O-CB 3.38Å; K107-M110 PolarHBondContact O-N 2.83Å
108R94.5Very high94.3Very high74 Ų7454.3 Ų54.328%0.27928%0.284SS..G310 helixtrans-52.5-48-177178.6-179.9-71.3-96.24112.4L102 G105 R106 M110 S111 V114 I117 T118 A119L102-R108 HydrophobicContact CD1-CB 3.81Å; L102-R108 HydrophobicContact CD1-CG 4.16Å; G105-R108 VanDerWaalsContact O-CB 3.27Å; G105-R108 WeakPolarHBondContact O-CB 3.33Å; G105-R108 PolarHBondContact O-N 2.84Å; R106-R108 VanDerWaalsContact C-N 3.3Å; R106-R108 PolarHBondContact O-N 3.35Å; R108-M110 PolarHBondContact O-N 3.35Å; R108-S111 WeakPolarHBondContact O-CB 3.32Å; R108-S111 PolarHBondContact O-N 2.94Å; R108-V114 HydrophobicContact CG-CG2 4.12Å; R108-V114 WeakPolarHBondContact O-CG2 3.3Å; R108-I117 HydrophobicContact CG-CD1 4.09Å; R108-I117 PolarHBondContact NH1-O 2.85Å; R108-T118 PolarHBondContact NH1-O 3.38Å; R108-T118 PolarHBondContact NH2-O 2.82Å; R108-A119 PolarHBondContact NH2-O 3.02Å
109S93.2Very high94.2Very high101 Ų10159 Ų5971%0.70632%0.322SS*.G310 helixtrans-70.6-15.3-179.152.30000114K107 S111K107-S109 VanDerWaalsContact C-N 3.33Å; K107-S109 PolarHBondContact O-N 2.82Å; S109-S111 VanDerWaalsContact C-N 3.33Å
110M92.9Very high94.1Very high123 Ų12362.2 Ų62.261%0.60635%0.346SS*.G310 helixtrans-85.4-8.7175.9-54-169.2-48.700112.5V85 K107 R108V85-M110 HydrophobicContact CG1-CE 4Å; K107-M110 HydrophobicContact CB-CE 3.52Å; K107-M110 HydrophobicContact CD-CE 3.76Å; K107-M110 HydrophobicContact CG-CE 3.38Å; K107-M110 WeakPolarHBondContact O-CB 3.38Å; K107-M110 PolarHBondContact O-N 2.83Å; R108-M110 PolarHBondContact O-N 3.35Å
111S94.1Very high94Very high13 Ų1362.5 Ų62.59%0.09135%0.349CS..  trans-75.9134177.8-173.20000110.9F86 R108 S109 W113 V114F86-S111 VanDerWaalsContact CE2-OG 3.27Å; F86-S111 WeakPolarHBondContact CE2-OG 3.44Å; F86-S111 WeakPolarHBondContact CZ-OG 3.47Å; R108-S111 WeakPolarHBondContact O-CB 3.32Å; R108-S111 PolarHBondContact O-N 2.94Å; S109-S111 VanDerWaalsContact C-N 3.33Å; S111-W113 PolarHBondContact O-N 3.4Å; S111-W113 VanDerWaalsContact O-N 3.15Å; S111-W113 PolarHBondContact OG-N 3.22Å; S111-V114 PolarHBondContact O-N 2.8Å
112L94.5Very high94Very high77 Ų7761.5 Ų61.540%0.40334%0.343SS..THydrogen-bonded Turntrans-61.3-19.4171.3-171.764.5000112.7R51 N81R51-L112 HydrophobicContact CB-CD2 4.48Å; R51-L112 WeakPolarHBondContact CD-O 3.48Å; R51-L112 HydrophobicContact CG-CD1 3.88Å; R51-L112 HydrophobicContact CG-CD2 4.08Å; R51-L112 HydrophobicContact CG-CG 3.95Å; R51-L112 PolarHBondContact NH1-O 2.91Å; N81-L112 HydrophobicContact CB-CD2 3.94Å
113W95.5Very high94.1Very high2 Ų260.7 Ų60.71%0.00834%0.339CS..THydrogen-bonded Turntrans-115.328.9-171.5-54.1106.4000111.8R51 F52 L80 S111 E115 F116 L123 I128 F174R51-W113 HydrophobicContact CB-CH2 3.72Å; R51-W113 HydrophobicContact CB-CZ2 4.4Å; R51-W113 HydrophobicContact CB-CZ3 4.04Å; F52-W113 HydrophobicContact CD1-CH2 4.43Å; F52-W113 HydrophobicContact CE1-CH2 4.15Å; F52-W113 HydrophobicContact CE1-CZ3 4.1Å; F52-W113 HydrophobicContact CE2-CZ3 4.39Å; F52-W113 HydrophobicContact CZ-CH2 4.38Å; F52-W113 AromaticContact CZ-CZ3 3.91Å; F52-W113 HydrophobicContact CZ-CZ3 3.91Å; L80-W113 HydrophobicContact CB-CH2 4.45Å; L80-W113 HydrophobicContact CB-CZ2 3.85Å; L80-W113 HydrophobicContact CD1-CH2 4.14Å; L80-W113 HydrophobicContact CD1-CZ2 4.04Å; L80-W113 HydrophobicContact CD2-CH2 3.96Å; L80-W113 HydrophobicContact CD2-CZ2 4.23Å; L80-W113 HydrophobicContact CG-CH2 4.41Å; L80-W113 HydrophobicContact CG-CZ2 4.26Å; S111-W113 PolarHBondContact O-N 3.4Å; S111-W113 VanDerWaalsContact O-N 3.15Å; S111-W113 PolarHBondContact OG-N 3.22Å; W113-E115 VanDerWaalsContact C-N 3.25Å; W113-E115 PolarHBondContact O-N 2.85Å; W113-E115 VanDerWaalsContact O-N 3.15Å; W113-F116 HydrophobicContact CB-CD2 4.01Å; W113-F116 AromaticContact CE3-CD2 3.81Å; W113-F116 HydrophobicContact CE3-CD2 3.81Å; W113-F116 AromaticContact CE3-CE2 3.75Å; W113-F116 HydrophobicContact CE3-CE2 3.75Å; W113-F116 HydrophobicContact CZ3-CE2 4.32Å; W113-F116 PolarHBondContact O-N 3.38Å; W113-L123 HydrophobicContact CB-CD1 3.67Å; W113-I128 HydrophobicContact CD2-CD1 4.44Å; W113-I128 HydrophobicContact CE3-CD1 4.37Å; W113-F174 AromaticContact NE1-CE1 3.81Å; W113-F174 AromaticContact NE1-CZ 3.74Å
114V95.3Very high94.1Very high64 Ų6458.4 Ų58.439%0.38832%0.323SS..G310 helixtrans-51.8-38.3-169.563.20000114R108 S111 F116 I117R108-V114 HydrophobicContact CG-CG2 4.12Å; R108-V114 WeakPolarHBondContact O-CG2 3.3Å; S111-V114 PolarHBondContact O-N 2.8Å; V114-F116 VanDerWaalsContact C-N 3.26Å; V114-F116 PolarHBondContact O-N 2.94Å; V114-I117 PolarHBondContact O-N 3.09Å
115E95.1Very high94.2Very high87 Ų8756.2 Ų56.241%0.40731%0.312SS..G310 helixtrans-72.2-18.6-178.972.1-87.9-140.500113.5R51 W113R51-E115 IonicContact CZ-OE1 2.77Å; R51-E115 VanDerWaalsContact NH1-CD 3.29Å; R51-E115 IonicContact NH1-OE1 3.15Å; R51-E115 PolarHBondContact NH1-OE1 2.84Å; R51-E115 IonicContact NH1-OE2 3.17Å; R51-E115 PolarHBondContact NH1-OE2 3.22Å; R51-E115 VanDerWaalsContact NH1-OE2 3.07Å; R51-E115 IonicContact NH2-OE1 2.7Å; R51-E115 PolarHBondContact NH2-OE1 3.47Å; W113-E115 VanDerWaalsContact C-N 3.25Å; W113-E115 PolarHBondContact O-N 2.85Å; W113-E115 VanDerWaalsContact O-N 3.15Å
116F95.7Very high94.4Very high13 Ų1359.9 Ų59.96%0.05731%0.309CS..G310 helixtrans-93.5-0.6179.4-52.1-60.9000112.8W113 V114 L123 S124 K127 I128 R131W113-F116 HydrophobicContact CB-CD2 4.01Å; W113-F116 AromaticContact CE3-CD2 3.81Å; W113-F116 HydrophobicContact CE3-CD2 3.81Å; W113-F116 AromaticContact CE3-CE2 3.75Å; W113-F116 HydrophobicContact CE3-CE2 3.75Å; W113-F116 HydrophobicContact CZ3-CE2 4.32Å; W113-F116 PolarHBondContact O-N 3.38Å; V114-F116 VanDerWaalsContact C-N 3.26Å; V114-F116 PolarHBondContact O-N 2.94Å; F116-L123 HydrophobicContact CB-CD1 3.91Å; F116-S124 WeakPolarHBondContact O-CB 3.42Å; F116-S124 PolarHBondContact O-N 3.38Å; F116-K127 HydrophobicContact CB-CB 4.39Å; F116-K127 HydrophobicContact CD1-CB 3.78Å; F116-I128 HydrophobicContact CB-CD1 4.38Å; F116-I128 HydrophobicContact CB-CG1 3.77Å; F116-I128 HydrophobicContact CD1-CG1 4.16Å; F116-I128 HydrophobicContact CD2-CD1 4.39Å; F116-I128 HydrophobicContact CD2-CG1 3.69Å; F116-I128 HydrophobicContact CE2-CG1 4.35Å; F116-I128 HydrophobicContact CG-CD1 4.5Å; F116-I128 HydrophobicContact CG-CG1 3.58Å; F116-R131 HydrophobicContact CE1-CB 3.72Å; F116-R131 HydrophobicContact CE1-CG 4.15Å; F116-R131 HydrophobicContact CZ-CB 3.89Å; F116-R131 HydrophobicContact CZ-CG 3.85Å
117I95.3Very high94.6Very high10 Ų1054.5 Ų54.55%0.05129%0.291CS..BIsolated β-bridgetrans-83.7126.5178.3-49.3176.5000109.8F86 L102 R108 V114 Y122 L123F86-I117 HydrophobicContact CE1-CD1 4.02Å; F86-I117 HydrophobicContact CE1-CG1 4.11Å; F86-I117 HydrophobicContact CZ-CD1 3.63Å; F86-I117 HydrophobicContact CZ-CG1 3.78Å; L102-I117 HydrophobicContact CD1-CD1 4.2Å; L102-I117 HydrophobicContact CD1-CG2 3.87Å; L102-I117 HydrophobicContact CD2-CD1 4.1Å; L102-I117 HydrophobicContact CG-CD1 4.36Å; L102-I117 HydrophobicContact CG-CG2 4.22Å; R108-I117 HydrophobicContact CG-CD1 4.09Å; R108-I117 PolarHBondContact NH1-O 2.85Å; V114-I117 PolarHBondContact O-N 3.09Å; I117-Y122 CarbonylContact C-O 3.54Å; I117-Y122 WeakPolarHBondContact CA-O 3.48Å; I117-L123 HydrophobicContact CG1-CD1 4.22Å
118T94.4Very high94.7Very high18 Ų1850.6 Ų50.611%0.1127%0.274CS..  trans-68.2166.8175.865.80000112.4R108 S120 G121 Y122 D228R108-T118 PolarHBondContact NH1-O 3.38Å; R108-T118 PolarHBondContact NH2-O 2.82Å; T118-S120 PolarHBondContact O-N 2.77Å; T118-G121 PolarHBondContact O-N 3.35Å; T118-G121 PolarHBondContact OG1-N 2.83Å; T118-Y122 PolarHBondContact N-O 2.69Å; T118-Y122 PolarHBondContact OG1-N 3.48Å; T118-Y122 VanDerWaalsContact OG1-N 3.07Å; T118-Y122 PolarHBondContact OG1-O 3.24Å; T118-D228 VanDerWaalsContact CG2-OD2 3.29Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.47Å
119A93.3Very high94.9Very high100 Ų10047.7 Ų47.783%0.82626%0.263SS*.THydrogen-bonded Turntrans-56.3-40.4173.600000111.2R108 G121R108-A119 PolarHBondContact NH2-O 3.02Å; A119-G121 PolarHBondContact O-N 2.92Å
120S92.5Very high95Very high88 Ų8845.9 Ų45.962%0.61525%0.251SS*.THydrogen-bonded Turntrans-73.6-0.9176.8-49.50000114.8T118T118-S120 PolarHBondContact O-N 2.77Å
121G94Very high95.3Very high6 Ų644.8 Ų44.86%0.06224%0.24CC..SBendtrans87.516172.800000115.4K101 L102 T118 A119K101-G121 WeakPolarHBondContact CA-O 3.48Å; L102-G121 PolarHBondContact N-O 2.83Å; T118-G121 PolarHBondContact O-N 3.35Å; T118-G121 PolarHBondContact OG1-N 2.83Å; A119-G121 PolarHBondContact O-N 2.92Å
122Y94.7Very high95.4Very high64 Ų6444.1 Ų44.125%0.25124%0.235SC..BIsolated β-bridgetrans-90.8140.6175.3-62.4-80.8000111.4V99 L100 K101 I117 T118 S124V99-Y122 HydrophobicContact CB-CD1 3.96Å; V99-Y122 HydrophobicContact CB-CE1 4.21Å; V99-Y122 HydrophobicContact CG2-CD1 3.89Å; V99-Y122 HydrophobicContact CG2-CE1 3.64Å; L100-Y122 CarbonylContact O-C 3.51Å; L100-Y122 VanDerWaalsContact O-CA 3.26Å; L100-Y122 WeakPolarHBondContact O-CA 3.31Å; K101-Y122 HydrophobicContact CB-CD1 3.92Å; K101-Y122 HydrophobicContact CB-CE1 3.9Å; K101-Y122 HydrophobicContact CD-CD1 4.45Å; K101-Y122 HydrophobicContact CD-CE1 3.77Å; K101-Y122 HydrophobicContact CG-CD1 4.12Å; K101-Y122 HydrophobicContact CG-CE1 3.95Å; I117-Y122 CarbonylContact C-O 3.54Å; I117-Y122 WeakPolarHBondContact CA-O 3.48Å; T118-Y122 PolarHBondContact N-O 2.69Å; T118-Y122 PolarHBondContact OG1-N 3.48Å; T118-Y122 VanDerWaalsContact OG1-N 3.07Å; T118-Y122 PolarHBondContact OG1-O 3.24Å; Y122-S124 PolarHBondContact O-N 3.05Å
123L95.7Very high95.6Very high0 Ų042.3 Ų42.30%023%0.225CC..BIsolated β-bridgetrans-80.8110.9170.8-175.364.7000109.9F86 L100 W113 F116 I117 A125 I128 F174 W230F86-L123 HydrophobicContact CD1-CB 4.1Å; F86-L123 HydrophobicContact CD2-CD2 4.01Å; F86-L123 HydrophobicContact CE1-CB 3.73Å; F86-L123 HydrophobicContact CE2-CB 4.24Å; F86-L123 HydrophobicContact CE2-CD1 4.17Å; F86-L123 HydrophobicContact CE2-CD2 3.74Å; F86-L123 HydrophobicContact CE2-CG 4.27Å; F86-L123 HydrophobicContact CZ-CB 3.83Å; F86-L123 HydrophobicContact CZ-CD1 3.83Å; F86-L123 HydrophobicContact CZ-CD2 4.12Å; F86-L123 HydrophobicContact CZ-CG 4.15Å; L100-L123 HydrophobicContact CB-CB 3.99Å; L100-L123 HydrophobicContact CD1-CD2 4Å; L100-L123 PolarHBondContact O-N 2.91Å; W113-L123 HydrophobicContact CB-CD1 3.67Å; F116-L123 HydrophobicContact CB-CD1 3.91Å; I117-L123 HydrophobicContact CG1-CD1 4.22Å; L123-A125 PolarHBondContact O-N 2.87Å; L123-I128 HydrophobicContact CD1-CD1 4.03Å; L123-I128 HydrophobicContact CD2-CD1 4.13Å; L123-I128 HydrophobicContact CG-CD1 4.04Å; L123-F174 HydrophobicContact CD2-CE2 3.51Å; L123-F174 HydrophobicContact CD2-CZ 3.74Å; L123-W230 HydrophobicContact CD2-CZ2 4.04Å; L123-W230 HydrophobicContact CG-CZ2 4.16Å; L123-W230 PolarHBondContact O-NE1 3.01Å
124S95.3Very high95.7Very high0 Ų045.3 Ų45.30%024%0.243CC..  trans-75.8112.2-174.3176.30000112.2F116 Y122 R126 K127 I128 D228F116-S124 WeakPolarHBondContact O-CB 3.42Å; F116-S124 PolarHBondContact O-N 3.38Å; Y122-S124 PolarHBondContact O-N 3.05Å; S124-R126 VanDerWaalsContact C-N 3.31Å; S124-R126 PolarHBondContact O-N 2.83Å; S124-K127 PolarHBondContact O-N 3.07Å; S124-K127 WeakPolarHBondContact OG-CG 3.37Å; S124-K127 PolarHBondContact OG-N 3.28Å; S124-I128 PolarHBondContact O-N 3.36Å; S124-D228 WeakPolarHBondContact CB-OD1 3.45Å; S124-D228 PolarHBondContact OG-OD1 3.44Å
125A96.1Very high95.9Very high1 Ų142.3 Ų42.31%0.00823%0.225CC..Hα-helixtrans-55.5-47.3171.100000111.3L123 K127 I128 R129 S212 D228 A229 W230L123-A125 PolarHBondContact O-N 2.87Å; A125-K127 PolarHBondContact O-N 2.88Å; A125-I128 PolarHBondContact O-N 2.86Å; A125-R129 PolarHBondContact O-N 3.2Å; A125-S212 PolarHBondContact O-OG 3.26Å; A125-D228 PolarHBondContact N-O 3.25Å; A125-A229 WeakPolarHBondContact CB-O 3.25Å; A125-W230 HydrophobicContact CB-CD2 3.78Å; A125-W230 HydrophobicContact CB-CE3 4.27Å; A125-W230 HydrophobicContact CB-CG 4.05Å; A125-W230 HydrophobicContact CB-CH2 4.49Å; A125-W230 HydrophobicContact CB-CZ2 4.03Å
126R94.8Very high96.1Very high130 Ų13038.2 Ų38.249%0.49121%0.206SC..Hα-helixtrans-60-46.6179.7178.9-167.1-74.3166.3-10.2112.5S124 I128 R129 S130 S227S124-R126 VanDerWaalsContact C-N 3.31Å; S124-R126 PolarHBondContact O-N 2.83Å; R126-I128 VanDerWaalsContact C-N 3.33Å; R126-I128 PolarHBondContact O-N 3.38Å; R126-R129 PolarHBondContact O-N 2.9Å; R126-S130 WeakPolarHBondContact O-CB 3.42Å; R126-S130 PolarHBondContact O-N 3.05Å; R126-S227 VanDerWaalsContact CB-O 3.29Å; R126-S227 WeakPolarHBondContact CB-O 3.41Å; R126-S227 PolarHBondContact NH1-OG 3.07Å
127K95.9Very high96.2Very high92 Ų9239 Ų3940%0.421%0.214SC..Hα-helixtrans-63.8-40.2-179-68.5-179.2177.4-173.40111.6F116 S124 A125 S130 R131F116-K127 HydrophobicContact CB-CB 4.39Å; F116-K127 HydrophobicContact CD1-CB 3.78Å; S124-K127 PolarHBondContact O-N 3.07Å; S124-K127 WeakPolarHBondContact OG-CG 3.37Å; S124-K127 PolarHBondContact OG-N 3.28Å; A125-K127 PolarHBondContact O-N 2.88Å; K127-S130 PolarHBondContact O-N 3.46Å; K127-R131 PolarHBondContact O-N 3.26Å
128I96.9Very high96.3Very high0 Ų042.2 Ų42.20%023%0.229CC..Hα-helixtrans-59.8-50.3173.2-72.7178.7000110.4F52 L80 W113 F116 L123 S124 A125 R126 S130 R131 F132 P172 W230F52-I128 HydrophobicContact CE1-CG2 4.21Å; F52-I128 HydrophobicContact CZ-CG2 4.31Å; L80-I128 HydrophobicContact CD1-CD1 4.48Å; L80-I128 HydrophobicContact CD1-CG2 4.09Å; W113-I128 HydrophobicContact CD2-CD1 4.44Å; W113-I128 HydrophobicContact CE3-CD1 4.37Å; F116-I128 HydrophobicContact CB-CD1 4.38Å; F116-I128 HydrophobicContact CB-CG1 3.77Å; F116-I128 HydrophobicContact CD1-CG1 4.16Å; F116-I128 HydrophobicContact CD2-CD1 4.39Å; F116-I128 HydrophobicContact CD2-CG1 3.69Å; F116-I128 HydrophobicContact CE2-CG1 4.35Å; F116-I128 HydrophobicContact CG-CD1 4.5Å; F116-I128 HydrophobicContact CG-CG1 3.58Å; L123-I128 HydrophobicContact CD1-CD1 4.03Å; L123-I128 HydrophobicContact CD2-CD1 4.13Å; L123-I128 HydrophobicContact CG-CD1 4.04Å; S124-I128 PolarHBondContact O-N 3.36Å; A125-I128 PolarHBondContact O-N 2.86Å; R126-I128 VanDerWaalsContact C-N 3.33Å; R126-I128 PolarHBondContact O-N 3.38Å; I128-S130 PolarHBondContact O-N 3.4Å; I128-R131 PolarHBondContact O-N 2.87Å; I128-F132 WeakPolarHBondContact O-CB 3.34Å; I128-F132 PolarHBondContact O-N 3.33Å; I128-P172 HydrophobicContact CG2-CB 4.12Å; I128-W230 HydrophobicContact CD1-CH2 3.83Å; I128-W230 HydrophobicContact CD1-CZ2 3.91Å
129R97.3Very high96.5Very high13 Ų1341.3 Ų41.35%0.04922%0.224CC..Hα-helixtrans-61.8-41.6180-178.1169.270-113.112.5112.5A125 R126 F132 Q133 S156 E157 S212A125-R129 PolarHBondContact O-N 3.2Å; R126-R129 PolarHBondContact O-N 2.9Å; R129-F132 PolarHBondContact O-N 2.88Å; R129-Q133 VanDerWaalsContact O-CB 3.31Å; R129-Q133 WeakPolarHBondContact O-CB 3.43Å; R129-Q133 PolarHBondContact O-N 3.27Å; R129-S156 WeakPolarHBondContact CD-O 3.48Å; R129-S156 VanDerWaalsContact CG-O 3.31Å; R129-S156 WeakPolarHBondContact CG-O 3.35Å; R129-S156 PolarHBondContact NE-O 2.95Å; R129-S156 VanDerWaalsContact NE-O 3.12Å; R129-S156 PolarHBondContact NE-OG 3.28Å; R129-S156 PolarHBondContact NH2-OG 3.25Å; R129-S156 VanDerWaalsContact NH2-OG 3.12Å; R129-E157 WeakPolarHBondContact CD-OE2 3.29Å; R129-E157 IonicContact NE-OE2 3.63Å; R129-S212 WeakPolarHBondContact CB-OG 3.46Å; R129-S212 WeakPolarHBondContact CD-O 3.36Å; R129-S212 VanDerWaalsContact NH1-C 3.28Å; R129-S212 PolarHBondContact NH1-O 3.41Å; R129-S212 PolarHBondContact NH1-OG 2.82Å
130S96.4Very high96.7Very high63 Ų6336.9 Ų36.944%0.44119%0.187SC..Hα-helixtrans-62.5-44.5177.51770000112.1R126 K127 I128 Q133 T134R126-S130 WeakPolarHBondContact O-CB 3.42Å; R126-S130 PolarHBondContact O-N 3.05Å; K127-S130 PolarHBondContact O-N 3.46Å; I128-S130 PolarHBondContact O-N 3.4Å; S130-Q133 PolarHBondContact O-N 3.23Å; S130-T134 PolarHBondContact O-N 3.25Å; S130-T134 VanDerWaalsContact O-N 3.17Å; S130-T134 PolarHBondContact O-OG1 2.9Å
131R97.8Very high96.9Very high99 Ų9938.6 Ų38.637%0.37419%0.189SC..Hα-helixtrans-63.1-46.5174.1176.759.8173.5174.61.7111.4F116 K127 I128 Q133 T134 L135F116-R131 HydrophobicContact CE1-CB 3.72Å; F116-R131 HydrophobicContact CE1-CG 4.15Å; F116-R131 HydrophobicContact CZ-CB 3.89Å; F116-R131 HydrophobicContact CZ-CG 3.85Å; K127-R131 PolarHBondContact O-N 3.26Å; I128-R131 PolarHBondContact O-N 2.87Å; R131-Q133 VanDerWaalsContact C-N 3.31Å; R131-Q133 PolarHBondContact O-N 3.3Å; R131-T134 PolarHBondContact O-N 2.9Å; R131-L135 HydrophobicContact CG-CD1 4.17Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 2.83Å; R131-L135 VanDerWaalsContact O-N 3.1Å
132F98.3Very high97Very high0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-60.8-40.7179-176.9-118.5000111.9L42 V45 F52 L78 I128 R129 T134 L135 V136 V158 I170 P172L42-F132 HydrophobicContact CD2-CE2 4.07Å; L42-F132 HydrophobicContact CD2-CZ 3.78Å; V45-F132 HydrophobicContact CG1-CD2 4.33Å; V45-F132 HydrophobicContact CG1-CE2 4.05Å; F52-F132 HydrophobicContact CB-CD2 4.4Å; F52-F132 HydrophobicContact CB-CE2 4.33Å; F52-F132 AromaticContact CD1-CD2 3.6Å; F52-F132 HydrophobicContact CD1-CD2 3.6Å; F52-F132 HydrophobicContact CD1-CE2 4.06Å; F52-F132 HydrophobicContact CD1-CG 4.35Å; F52-F132 HydrophobicContact CD2-CD2 4.13Å; F52-F132 HydrophobicContact CE1-CB 4.04Å; F52-F132 AromaticContact CE1-CD2 3.79Å; F52-F132 HydrophobicContact CE1-CD2 3.79Å; F52-F132 HydrophobicContact CE1-CG 4.13Å; F52-F132 HydrophobicContact CE2-CD2 4.32Å; F52-F132 AromaticContact CG-CD2 3.79Å; F52-F132 HydrophobicContact CG-CD2 3.79Å; F52-F132 HydrophobicContact CG-CE2 4.18Å; F52-F132 HydrophobicContact CZ-CB 3.94Å; F52-F132 HydrophobicContact CZ-CD2 4.16Å; F52-F132 HydrophobicContact CZ-CG 4.43Å; L78-F132 HydrophobicContact CD2-CD2 4.37Å; L78-F132 HydrophobicContact CD2-CE1 4.24Å; L78-F132 HydrophobicContact CD2-CE2 3.56Å; L78-F132 HydrophobicContact CD2-CZ 3.5Å; L78-F132 VanDerWaalsContact CD2-CZ 3.5Å; I128-F132 WeakPolarHBondContact O-CB 3.34Å; I128-F132 PolarHBondContact O-N 3.33Å; R129-F132 PolarHBondContact O-N 2.88Å; F132-T134 PolarHBondContact O-N 3.08Å; F132-L135 PolarHBondContact O-N 2.79Å; F132-V136 HydrophobicContact CD1-CG2 4.39Å; F132-V136 HydrophobicContact CD2-CG2 4.22Å; F132-V136 HydrophobicContact CE1-CG2 3.98Å; F132-V136 HydrophobicContact CE2-CG2 3.8Å; F132-V136 HydrophobicContact CG-CG2 4.49Å; F132-V136 HydrophobicContact CZ-CG2 3.65Å; F132-V136 WeakPolarHBondContact O-CG2 3.42Å; F132-V136 PolarHBondContact O-N 2.82Å; F132-V158 HydrophobicContact CD1-CB 4.2Å; F132-V158 HydrophobicContact CD1-CG1 4.34Å; F132-V158 HydrophobicContact CD1-CG2 3.6Å; F132-V158 HydrophobicContact CE1-CB 4.14Å; F132-V158 HydrophobicContact CE1-CG1 3.98Å; F132-V158 HydrophobicContact CE1-CG2 4.05Å; F132-I170 HydrophobicContact CE1-CB 4.07Å; F132-I170 HydrophobicContact CE1-CG2 3.73Å; F132-I170 HydrophobicContact CZ-CB 4.42Å; F132-I170 HydrophobicContact CZ-CG2 3.76Å; F132-P172 HydrophobicContact CB-CG 4.26Å; F132-P172 HydrophobicContact CD1-CG 3.49Å; F132-P172 VanDerWaalsContact CD1-CG 3.49Å; F132-P172 HydrophobicContact CE1-CG 4.05Å; F132-P172 HydrophobicContact CG-CG 3.98Å
133Q98.1Very high97.2Very high39 Ų3941 Ų4118%0.18220%0.199CC..Hα-helixtrans-59.3-43.7174.6-171.6-179.435.800112.1R129 S130 R131 L135 V136 A137 M151 T155 V158R129-Q133 VanDerWaalsContact O-CB 3.31Å; R129-Q133 WeakPolarHBondContact O-CB 3.43Å; R129-Q133 PolarHBondContact O-N 3.27Å; S130-Q133 PolarHBondContact O-N 3.23Å; R131-Q133 VanDerWaalsContact C-N 3.31Å; R131-Q133 PolarHBondContact O-N 3.3Å; Q133-L135 PolarHBondContact O-N 2.96Å; Q133-V136 PolarHBondContact O-N 3.38Å; Q133-A137 WeakPolarHBondContact O-CB 3.33Å; Q133-A137 PolarHBondContact O-N 2.75Å; Q133-M151 HydrophobicContact CG-CE 4.17Å; Q133-M151 HydrophobicContact CG-SD 3.96Å; Q133-T155 PolarHBondContact NE2-O 2.97Å; Q133-V158 HydrophobicContact CB-CG2 3.72Å; Q133-V158 HydrophobicContact CG-CG2 4.18Å
134T98Very high97.3Very high64 Ų6445.1 Ų45.139%0.39323%0.228SC..Hα-helixtrans-62.4-42.7176.1-58.30000111.8S130 R131 F132 A137 Q138S130-T134 PolarHBondContact O-N 3.25Å; S130-T134 VanDerWaalsContact O-N 3.17Å; S130-T134 PolarHBondContact O-OG1 2.9Å; R131-T134 PolarHBondContact O-N 2.9Å; F132-T134 PolarHBondContact O-N 3.08Å; T134-A137 PolarHBondContact O-N 3.04Å; T134-Q138 WeakPolarHBondContact O-CG 3.42Å; T134-Q138 PolarHBondContact O-N 3.38Å
135L98.4Very high97.4Very high2 Ų249 Ų491%0.0124%0.243CC..Hα-helixtrans-64.5-43.6178.2-68.5165.4000111.5V45 Q48 E49 F52 R131 F132 Q133 Q138 A139V45-L135 HydrophobicContact CG1-CB 3.96Å; V45-L135 HydrophobicContact CG1-CD1 4.28Å; V45-L135 HydrophobicContact CG2-CB 4.32Å; Q48-L135 HydrophobicContact CB-CD2 3.95Å; E49-L135 HydrophobicContact CB-CD1 3.58Å; E49-L135 HydrophobicContact CB-CD2 4.13Å; E49-L135 HydrophobicContact CG-CD1 3.89Å; F52-L135 HydrophobicContact CD2-CD1 3.64Å; F52-L135 HydrophobicContact CE2-CD1 3.61Å; R131-L135 HydrophobicContact CG-CD1 4.17Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 2.83Å; R131-L135 VanDerWaalsContact O-N 3.1Å; F132-L135 PolarHBondContact O-N 2.79Å; Q133-L135 PolarHBondContact O-N 2.96Å; L135-Q138 PolarHBondContact O-N 3.35Å; L135-A139 WeakPolarHBondContact O-CB 3.24Å; L135-A139 PolarHBondContact O-N 3.42Å
136V98.6Very high97.4Very high0 Ų055.1 Ų55.10%027%0.266CS..Hα-helixtrans-66.2-39.7178.2172.10000111.4V41 V45 F132 Q133 Q138 A139 V140 M151 V158 L160V41-V136 HydrophobicContact CG1-CG1 4.06Å; V45-V136 HydrophobicContact CG2-CB 4.45Å; V45-V136 HydrophobicContact CG2-CG2 3.7Å; F132-V136 HydrophobicContact CD1-CG2 4.39Å; F132-V136 HydrophobicContact CD2-CG2 4.22Å; F132-V136 HydrophobicContact CE1-CG2 3.98Å; F132-V136 HydrophobicContact CE2-CG2 3.8Å; F132-V136 HydrophobicContact CG-CG2 4.49Å; F132-V136 HydrophobicContact CZ-CG2 3.65Å; F132-V136 WeakPolarHBondContact O-CG2 3.42Å; F132-V136 PolarHBondContact O-N 2.82Å; Q133-V136 PolarHBondContact O-N 3.38Å; V136-Q138 VanDerWaalsContact C-N 3.27Å; V136-Q138 PolarHBondContact O-N 2.82Å; V136-A139 PolarHBondContact O-N 3.13Å; V136-A139 VanDerWaalsContact O-N 3.14Å; V136-V140 HydrophobicContact CG1-CG1 4.32Å; V136-V140 WeakPolarHBondContact O-CG1 3.45Å; V136-V140 PolarHBondContact O-N 2.96Å; V136-M151 HydrophobicContact CG1-SD 4.47Å; V136-V158 HydrophobicContact CB-CG1 3.85Å; V136-V158 HydrophobicContact CG1-CG1 3.65Å; V136-V158 HydrophobicContact CG2-CG1 3.84Å; V136-L160 HydrophobicContact CG1-CD2 3.74Å
137A98Very high97.6Very high29 Ų2955.4 Ų55.424%0.2428%0.277CS..Hα-helixtrans-57.1-40.9173.900000112Q133 T134 V140 M151Q133-A137 WeakPolarHBondContact O-CB 3.33Å; Q133-A137 PolarHBondContact O-N 2.75Å; T134-A137 PolarHBondContact O-N 3.04Å; A137-V140 WeakPolarHBondContact O-CG2 3.49Å; A137-M151 HydrophobicContact CB-CE 3.54Å; A137-M151 HydrophobicContact CB-SD 3.86Å
138Q97.7Very high97.7Very high78 Ų7853.3 Ų53.336%0.36427%0.272SS..Hα-helixtrans-74-33.9176.4-67.3169.9-7.400112.6Q48 T134 L135 V136 K142Q48-Q138 VanDerWaalsContact OE1-OE1 3.07Å; T134-Q138 WeakPolarHBondContact O-CG 3.42Å; T134-Q138 PolarHBondContact O-N 3.38Å; L135-Q138 PolarHBondContact O-N 3.35Å; V136-Q138 VanDerWaalsContact C-N 3.27Å; V136-Q138 PolarHBondContact O-N 2.82Å; Q138-K142 WeakPolarHBondContact O-CG 3.3Å
139A98.3Very high97.7Very high0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-69.6-39.6179.700000112.3V41 E44 V45 L135 V136 D141 K142 C143V41-A139 HydrophobicContact CG1-CB 4.02Å; E44-A139 HydrophobicContact CB-CB 3.74Å; V45-A139 HydrophobicContact CG2-CB 3.6Å; L135-A139 WeakPolarHBondContact O-CB 3.24Å; L135-A139 PolarHBondContact O-N 3.42Å; V136-A139 PolarHBondContact O-N 3.13Å; V136-A139 VanDerWaalsContact O-N 3.14Å; A139-D141 PolarHBondContact O-N 3.16Å; A139-K142 PolarHBondContact O-N 3.21Å; A139-K142 VanDerWaalsContact O-N 3.08Å; A139-C143 VanDerWaalsContact O-CB 3.27Å; A139-C143 WeakPolarHBondContact O-CB 3.23Å; A139-C143 PolarHBondContact O-N 3.29Å
140V98.1Very high97.8Very high7 Ų758.3 Ų58.34%0.04229%0.294CS..Hα-helixtrans-60.6-32.3178.5-66.20000112.4V41 V136 A137 C143 R146 V149 M151 L160V41-V140 HydrophobicContact CG1-CG1 4.16Å; V41-V140 HydrophobicContact CG2-CG1 4.22Å; V136-V140 HydrophobicContact CG1-CG1 4.32Å; V136-V140 WeakPolarHBondContact O-CG1 3.45Å; V136-V140 PolarHBondContact O-N 2.96Å; A137-V140 WeakPolarHBondContact O-CG2 3.49Å; V140-C143 PolarHBondContact O-SG 2.99Å; V140-C143 VanDerWaalsContact O-SG 3.35Å; V140-R146 WeakPolarHBondContact O-CA 3.49Å; V140-R146 VanDerWaalsContact O-CB 3.23Å; V140-R146 WeakPolarHBondContact O-CB 3.26Å; V140-V149 HydrophobicContact CB-CG1 4.24Å; V140-V149 HydrophobicContact CG1-CG1 4.27Å; V140-V149 HydrophobicContact CG1-CG2 4.3Å; V140-M151 HydrophobicContact CG2-CB 4.41Å; V140-L160 HydrophobicContact CG1-CD2 3.62Å
141D97.1Very high97.8Very high124 Ų12458 Ų5866%0.66329%0.286SS*.Hα-helixtrans-74.4-24.1177.8-67.2-27.9000113.3A139A139-D141 PolarHBondContact O-N 3.16Å
142K96.7Very high97.8Very high119 Ų11954.5 Ų54.552%0.51728%0.275SS..Hα-helixtrans-102.9-23.4-174.5-65.4175.4-173.7172.60113.8Q138 A139Q138-K142 WeakPolarHBondContact O-CG 3.3Å; A139-K142 PolarHBondContact O-N 3.21Å; A139-K142 VanDerWaalsContact O-N 3.08Å
143C97.4Very high97.6Very high0 Ų057.8 Ų57.80%030%0.302CS..SBendtrans-65162.8-172.576.60000113.2D40 V41 E44 A139 V140 Y145 R146 V149D40-C143 VanDerWaalsContact OD2-CB 3.24Å; D40-C143 WeakPolarHBondContact OD2-CB 3.4Å; V41-C143 HydrophobicContact CG2-CB 4.25Å; E44-C143 HydrophobicContact CG-CB 4.05Å; A139-C143 VanDerWaalsContact O-CB 3.27Å; A139-C143 WeakPolarHBondContact O-CB 3.23Å; A139-C143 PolarHBondContact O-N 3.29Å; V140-C143 PolarHBondContact O-SG 2.99Å; V140-C143 VanDerWaalsContact O-SG 3.35Å; C143-Y145 PolarHBondContact O-N 3.37Å; C143-Y145 VanDerWaalsContact O-N 3.16Å; C143-R146 WeakPolarHBondContact O-CB 3.45Å; C143-R146 PolarHBondContact O-N 2.68Å; C143-R146 PolarHBondContact SG-N 3.25Å; C143-R146 VanDerWaalsContact SG-N 3.41Å; C143-V149 VanDerWaalsContact SG-CG1 3.59Å
144S97.9Very high97.4Very high87 Ų8764.2 Ų64.261%0.60834%0.338SS*.THydrogen-bonded Turntrans-60.2-25.2177.5-49.10000112.2D40D40-S144 WeakPolarHBondContact OD1-CB 3.39Å; D40-S144 PolarHBondContact OD1-OG 3.23Å; D40-S144 WeakPolarHBondContact OD2-CA 3.48Å; D40-S144 VanDerWaalsContact OD2-CB 3.23Å; D40-S144 WeakPolarHBondContact OD2-CB 3.43Å; D40-S144 PolarHBondContact OD2-N 2.96Å; D40-S144 PolarHBondContact OD2-OG 2.82Å
145Y98.1Very high97.2Very high82 Ų8263 Ų6332%0.32233%0.33SS..THydrogen-bonded Turntrans-101.713.7-177.4-66.7-80.1000114.8V37 D40 C143 D147 V148 V149V37-Y145 HydrophobicContact CB-CD2 4.38Å; V37-Y145 HydrophobicContact CB-CG 4.39Å; V37-Y145 HydrophobicContact CG1-CD2 4.45Å; V37-Y145 HydrophobicContact CG1-CG 4.25Å; V37-Y145 HydrophobicContact CG2-CD1 3.88Å; V37-Y145 HydrophobicContact CG2-CD2 4.15Å; V37-Y145 HydrophobicContact CG2-CE1 4.17Å; V37-Y145 HydrophobicContact CG2-CE2 4.42Å; V37-Y145 HydrophobicContact CG2-CG 3.87Å; D40-Y145 HydrophobicContact CB-CD2 3.7Å; D40-Y145 HydrophobicContact CB-CE2 3.85Å; D40-Y145 WeakPolarHBondContact OD2-CD2 3.35Å; D40-Y145 PolarHBondContact OD2-N 3.43Å; C143-Y145 PolarHBondContact O-N 3.37Å; C143-Y145 VanDerWaalsContact O-N 3.16Å; Y145-D147 PolarHBondContact O-N 2.57Å; Y145-V148 HydrophobicContact CD1-CG2 3.96Å; Y145-V148 HydrophobicContact CG-CG2 4.4Å; Y145-V148 VanDerWaalsContact O-CG2 3.24Å; Y145-V148 WeakPolarHBondContact O-CG2 3.01Å; Y145-V148 PolarHBondContact O-N 2.78Å; Y145-V149 WeakPolarHBondContact O-CG1 3.43Å; Y145-V149 PolarHBondContact O-N 2.92Å
146R96.8Very high96.9Very high130 Ų13064.6 Ų64.649%0.49134%0.342SS..THydrogen-bonded Turntrans-49.1-30.6-17567.8-173.1179.1-77-9.6115.6V140 C143 V148V140-R146 WeakPolarHBondContact O-CA 3.49Å; V140-R146 VanDerWaalsContact O-CB 3.23Å; V140-R146 WeakPolarHBondContact O-CB 3.26Å; C143-R146 WeakPolarHBondContact O-CB 3.45Å; C143-R146 PolarHBondContact O-N 2.68Å; C143-R146 PolarHBondContact SG-N 3.25Å; C143-R146 VanDerWaalsContact SG-N 3.41Å; R146-V148 VanDerWaalsContact C-N 3.28Å; R146-V148 PolarHBondContact O-N 2.87Å
147D97.4Very high96.8Very high136 Ų13665.2 Ų65.273%0.72734%0.344SS*.THydrogen-bonded Turntrans-75.3-17.8179.8-59.4-34.5000113.2Y145Y145-D147 PolarHBondContact O-N 2.57Å
148V97.7Very high96.8Very high47 Ų4763.9 Ų63.929%0.28533%0.333SS..THydrogen-bonded Turntrans-121-6.1-175.9-58.60000113.7Y145 R146 I162 R163Y145-V148 HydrophobicContact CD1-CG2 3.96Å; Y145-V148 HydrophobicContact CG-CG2 4.4Å; Y145-V148 VanDerWaalsContact O-CG2 3.24Å; Y145-V148 WeakPolarHBondContact O-CG2 3.01Å; Y145-V148 PolarHBondContact O-N 2.78Å; R146-V148 VanDerWaalsContact C-N 3.28Å; R146-V148 PolarHBondContact O-N 2.87Å; V148-I162 CarbonylContact O-C 3.5Å; V148-I162 WeakPolarHBondContact O-CA 3.43Å; V148-R163 HydrophobicContact CB-CG 3.88Å; V148-R163 HydrophobicContact CG1-CG 4.26Å; V148-R163 HydrophobicContact CG2-CG 4.49Å; V148-R163 PolarHBondContact O-N 2.87Å
149V98.4Very high96.8Very high3 Ų363 Ų632%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-119.1132.9177.570.80000110.8V37 V41 V140 C143 Y145 L160 R161 I162V37-V149 HydrophobicContact CG1-CB 3.85Å; V37-V149 HydrophobicContact CG1-CG1 4.32Å; V37-V149 HydrophobicContact CG1-CG2 3.92Å; V41-V149 HydrophobicContact CG2-CG1 4.25Å; V140-V149 HydrophobicContact CB-CG1 4.24Å; V140-V149 HydrophobicContact CG1-CG1 4.27Å; V140-V149 HydrophobicContact CG1-CG2 4.3Å; C143-V149 VanDerWaalsContact SG-CG1 3.59Å; Y145-V149 WeakPolarHBondContact O-CG1 3.43Å; Y145-V149 PolarHBondContact O-N 2.92Å; V149-L160 HydrophobicContact CG2-CB 4.01Å; V149-L160 HydrophobicContact CG2-CD1 4.18Å; V149-L160 HydrophobicContact CG2-CD2 4.25Å; V149-L160 HydrophobicContact CG2-CG 4.39Å; V149-R161 WeakPolarHBondContact CA-O 3.47Å; V149-I162 HydrophobicContact CG2-CG1 4.03Å
150K98Very high96.8Very high116 Ų11663 Ų6350%0.50433%0.328SS..EExtended strand (participates in β ladder)trans-132.4147.9172.6-64.5178.3-173.21550109.7L160 R161 E164K150-L160 CarbonylContact O-C 3.52Å; K150-L160 WeakPolarHBondContact O-CA 3.33Å; K150-R161 PolarHBondContact N-O 2.96Å; K150-R161 PolarHBondContact O-N 3.29Å; K150-E164 IonicContact NZ-OE1 3.38Å; K150-E164 PolarHBondContact NZ-OE1 3.43Å
151M97.7Very high96.9Very high55 Ų5567 Ų6727%0.27134%0.342SS..EExtended strand (participates in β ladder)trans-78.3137168.5-163.4175.97000109.7Q133 V136 A137 V140 K159Q133-M151 HydrophobicContact CG-CE 4.17Å; Q133-M151 HydrophobicContact CG-SD 3.96Å; V136-M151 HydrophobicContact CG1-SD 4.47Å; A137-M151 HydrophobicContact CB-CE 3.54Å; A137-M151 HydrophobicContact CB-SD 3.86Å; V140-M151 HydrophobicContact CG2-CB 4.41Å; M151-K159 CarbonylContact C-O 3.24Å; M151-K159 WeakPolarHBondContact CA-O 3.42Å
152I97.7Very high96.9Very high27 Ų2761.1 Ų61.114%0.13831%0.311CS..  trans-75.6128.5174.1-59.6-176.7000108.7K159 R161 V167I152-K159 HydrophobicContact CB-CB 4.03Å; I152-K159 HydrophobicContact CD1-CB 3.95Å; I152-K159 HydrophobicContact CG1-CB 4.15Å; I152-K159 PolarHBondContact N-O 2.87Å; I152-R161 HydrophobicContact CD1-CB 4.31Å; I152-R161 HydrophobicContact CG1-CB 4.01Å; I152-V167 HydrophobicContact CD1-CB 4.45Å; I152-V167 HydrophobicContact CD1-CG1 3.63Å; I152-V167 HydrophobicContact CD1-CG2 3.99Å
153A94.7Very high97Very high68 Ų6862.5 Ų62.556%0.56231%0.313SS*.  trans-80.2176.1177.600000112.7T155A153-T155 VanDerWaalsContact C-N 3.32Å; A153-T155 PolarHBondContact O-N 3.49Å
154D92.2Very high96.9Very high175 Ų17568 Ų6894%0.93634%0.339SS*.SBendtrans58.834.6172.1-52-38.8000115.3
155T93.5Very high96.9Very high39 Ų3971.6 Ų71.624%0.23934%0.339CS..SBendtrans-147.7151.8175.1-177.30000110.7Q133 A153 E157Q133-T155 PolarHBondContact NE2-O 2.97Å; A153-T155 VanDerWaalsContact C-N 3.32Å; A153-T155 PolarHBondContact O-N 3.49Å; T155-E157 VanDerWaalsContact C-N 3.27Å; T155-E157 HydrophobicContact CG2-CB 4.45Å; T155-E157 WeakPolarHBondContact CG2-O 3.46Å; T155-E157 PolarHBondContact OG1-N 3.19Å
156S93.2Very high96.9Very high35 Ų3568.2 Ų68.225%0.24533%0.326CS..SBendtrans-82.2-8169.785.70000112.9R129 E214R129-S156 WeakPolarHBondContact CD-O 3.48Å; R129-S156 VanDerWaalsContact CG-O 3.31Å; R129-S156 WeakPolarHBondContact CG-O 3.35Å; R129-S156 PolarHBondContact NE-O 2.95Å; R129-S156 VanDerWaalsContact NE-O 3.12Å; R129-S156 PolarHBondContact NE-OG 3.28Å; R129-S156 PolarHBondContact NH2-OG 3.25Å; R129-S156 VanDerWaalsContact NH2-OG 3.12Å; S156-E214 WeakPolarHBondContact CB-OE1 3.33Å; S156-E214 VanDerWaalsContact OG-CD 3.31Å; S156-E214 PolarHBondContact OG-OE1 2.61Å
157E95.8Very high97Very high13 Ų1363.5 Ų63.56%0.06131%0.311CS..SBendtrans-81.9146.6178.1-58.6-62.2173.200111.6R129 T155 K159 Q169 K213 E214R129-E157 WeakPolarHBondContact CD-OE2 3.29Å; R129-E157 IonicContact NE-OE2 3.63Å; T155-E157 VanDerWaalsContact C-N 3.27Å; T155-E157 HydrophobicContact CG2-CB 4.45Å; T155-E157 WeakPolarHBondContact CG2-O 3.46Å; T155-E157 PolarHBondContact OG1-N 3.19Å; E157-K159 HydrophobicContact CB-CD 4.3Å; E157-K159 HydrophobicContact CB-CG 4.07Å; E157-K159 PolarHBondContact O-N 3.42Å; E157-Q169 PolarHBondContact OE2-NE2 3.4Å; E157-K213 WeakPolarHBondContact OE1-CA 3.24Å; E157-K213 WeakPolarHBondContact OE1-CB 3.38Å; E157-E214 PolarHBondContact OE1-N 3.47Å
158V98.2Very high97Very high0 Ų057 Ų570%028%0.277CS..  trans-84.499.8172.8-178.90000108.6F132 Q133 V136 Q169 I170F132-V158 HydrophobicContact CD1-CB 4.2Å; F132-V158 HydrophobicContact CD1-CG1 4.34Å; F132-V158 HydrophobicContact CD1-CG2 3.6Å; F132-V158 HydrophobicContact CE1-CB 4.14Å; F132-V158 HydrophobicContact CE1-CG1 3.98Å; F132-V158 HydrophobicContact CE1-CG2 4.05Å; Q133-V158 HydrophobicContact CB-CG2 3.72Å; Q133-V158 HydrophobicContact CG-CG2 4.18Å; V136-V158 HydrophobicContact CB-CG1 3.85Å; V136-V158 HydrophobicContact CG1-CG1 3.65Å; V136-V158 HydrophobicContact CG2-CG1 3.84Å; V158-Q169 CarbonylContact O-C 3.54Å; V158-Q169 VanDerWaalsContact O-CA 3.31Å; V158-Q169 WeakPolarHBondContact O-CA 3.39Å; V158-I170 HydrophobicContact CG1-CB 4.3Å; V158-I170 PolarHBondContact O-N 3.22Å
159K98.5Very high97.1Very high60 Ų6055.8 Ų55.826%0.26127%0.268SS..EExtended strand (participates in β ladder)trans-121.3126.9179.9-66.9-178.8178.61780111.3M151 I152 E157 V167 V168 Q169M151-K159 CarbonylContact C-O 3.24Å; M151-K159 WeakPolarHBondContact CA-O 3.42Å; I152-K159 HydrophobicContact CB-CB 4.03Å; I152-K159 HydrophobicContact CD1-CB 3.95Å; I152-K159 HydrophobicContact CG1-CB 4.15Å; I152-K159 PolarHBondContact N-O 2.87Å; E157-K159 HydrophobicContact CB-CD 4.3Å; E157-K159 HydrophobicContact CB-CG 4.07Å; E157-K159 PolarHBondContact O-N 3.42Å; K159-V167 HydrophobicContact CB-CG1 4.5Å; K159-V168 CarbonylContact C-O 3.48Å; K159-V168 WeakPolarHBondContact CA-O 3.46Å; K159-Q169 HydrophobicContact CG-CB 4.02Å; K159-Q169 HydrophobicContact CG-CG 4.19Å
160L98.6Very high97.1Very high0 Ų055.6 Ų55.60%027%0.267CS..EExtended strand (participates in β ladder)trans-98.1136.3173-56.2-176000109.7V38 V41 V136 V140 V149 K150 V167 V168 I170V38-L160 HydrophobicContact CG2-CD1 4.42Å; V41-L160 HydrophobicContact CB-CD1 4.41Å; V41-L160 HydrophobicContact CG1-CD1 4.29Å; V41-L160 HydrophobicContact CG2-CD1 4.26Å; V136-L160 HydrophobicContact CG1-CD2 3.74Å; V140-L160 HydrophobicContact CG1-CD2 3.62Å; V149-L160 HydrophobicContact CG2-CB 4.01Å; V149-L160 HydrophobicContact CG2-CD1 4.18Å; V149-L160 HydrophobicContact CG2-CD2 4.25Å; V149-L160 HydrophobicContact CG2-CG 4.39Å; K150-L160 CarbonylContact O-C 3.52Å; K150-L160 WeakPolarHBondContact O-CA 3.33Å; L160-V167 CarbonylContact O-C 3.09Å; L160-V167 VanDerWaalsContact O-CA 3.3Å; L160-V167 WeakPolarHBondContact O-CA 3.33Å; L160-V168 HydrophobicContact CB-CB 4.46Å; L160-V168 PolarHBondContact N-O 3.5Å; L160-V168 PolarHBondContact O-N 3.34Å; L160-I170 HydrophobicContact CD1-CD1 3.78Å; L160-I170 HydrophobicContact CG-CD1 4.24Å
161R98.6Very high97.1Very high91 Ų9150.1 Ų50.134%0.34324%0.243SC..EExtended strand (participates in β ladder)trans-104.7117.4165-175.6172.8-66.1128.40.2108.6V149 K150 I152 E164 Y166V149-R161 WeakPolarHBondContact CA-O 3.47Å; K150-R161 PolarHBondContact N-O 2.96Å; K150-R161 PolarHBondContact O-N 3.29Å; I152-R161 HydrophobicContact CD1-CB 4.31Å; I152-R161 HydrophobicContact CG1-CB 4.01Å; R161-E164 WeakPolarHBondContact CD-OE2 3.39Å; R161-Y166 CarbonylContact C-O 3.45Å; R161-Y166 WeakPolarHBondContact CA-O 3.27Å
162I98.5Very high97.1Very high0 Ų047.5 Ų47.50%023%0.23CC..EExtended strand (participates in β ladder)trans-107.6125.1-177.5-58.5169.2000108.8V34 V37 V148 V149 E164 R165 Y166 V168V34-I162 HydrophobicContact CB-CD1 4.42Å; V34-I162 HydrophobicContact CG1-CD1 4.31Å; V34-I162 HydrophobicContact CG2-CD1 4.2Å; V37-I162 HydrophobicContact CB-CD1 3.84Å; V37-I162 HydrophobicContact CB-CG1 4.42Å; V37-I162 HydrophobicContact CG1-CD1 3.88Å; V37-I162 HydrophobicContact CG1-CG1 3.99Å; V37-I162 HydrophobicContact CG2-CD1 4.41Å; V37-I162 HydrophobicContact CG2-CG2 4.08Å; V148-I162 CarbonylContact O-C 3.5Å; V148-I162 WeakPolarHBondContact O-CA 3.43Å; V149-I162 HydrophobicContact CG2-CG1 4.03Å; I162-E164 PolarHBondContact O-N 3.25Å; I162-E164 VanDerWaalsContact O-N 3.16Å; I162-R165 PolarHBondContact O-N 2.79Å; I162-Y166 PolarHBondContact N-O 3.34Å; I162-Y166 PolarHBondContact O-N 3.3Å; I162-V168 HydrophobicContact CD1-CG2 3.75Å
163R97.2Very high97.1Very high149 Ų14946.2 Ų46.256%0.56222%0.224SC*.THydrogen-bonded Turntrans52.632.6179.8-64.3177171.4-150.3-12.1113.6E33 V148 R165E33-R163 WeakPolarHBondContact OE1-CD 3.13Å; E33-R163 IonicContact OE1-CZ 3.65Å; E33-R163 IonicContact OE1-NE 2.74Å; E33-R163 PolarHBondContact OE1-NE 3.29Å; E33-R163 VanDerWaalsContact OE1-NE 3.11Å; E33-R163 IonicContact OE1-NH1 3.56Å; E33-R163 PolarHBondContact OE1-NH1 3.42Å; V148-R163 HydrophobicContact CB-CG 3.88Å; V148-R163 HydrophobicContact CG1-CG 4.26Å; V148-R163 HydrophobicContact CG2-CG 4.49Å; V148-R163 PolarHBondContact O-N 2.87Å; R163-R165 PolarHBondContact O-N 3.42Å
164E96.4Very high97.3Very high116 Ų11643.1 Ų43.154%0.54220%0.197SC..THydrogen-bonded Turntrans53.618.4-175-57.5-63.4164.300114.3K150 R161 I162K150-E164 IonicContact NZ-OE1 3.38Å; K150-E164 PolarHBondContact NZ-OE1 3.43Å; R161-E164 WeakPolarHBondContact CD-OE2 3.39Å; I162-E164 PolarHBondContact O-N 3.25Å; I162-E164 VanDerWaalsContact O-N 3.16Å
165R97.2Very high97.5Very high161 Ų16138.6 Ų38.661%0.60817%0.169SC*.THydrogen-bonded Turntrans-127.5-42.8-170.3-176.4178.4177.3-178.30.6113.4I162 R163I162-R165 PolarHBondContact O-N 2.79Å; R163-R165 PolarHBondContact O-N 3.42Å
166Y98.4Very high97.6Very high11 Ų1136.8 Ų36.84%0.04316%0.158CC..EExtended strand (participates in β ladder)trans-107.9138.7-175.3-48.3-58.6000110T30 V34 T72 R161 I162T30-Y166 HydrophobicContact CG2-CD1 3.66Å; T30-Y166 HydrophobicContact CG2-CD2 4.34Å; T30-Y166 HydrophobicContact CG2-CE1 3.47Å; T30-Y166 VanDerWaalsContact CG2-CE1 3.47Å; T30-Y166 HydrophobicContact CG2-CE2 4.17Å; T30-Y166 HydrophobicContact CG2-CG 4.09Å; V34-Y166 HydrophobicContact CG2-CD2 4.19Å; V34-Y166 HydrophobicContact CG2-CG 4.2Å; T72-Y166 HydrophobicContact CG2-CD1 4.14Å; T72-Y166 HydrophobicContact CG2-CE1 4.33Å; T72-Y166 CarbonylContact O-C 3.58Å; T72-Y166 WeakPolarHBondContact O-CA 3.25Å; R161-Y166 CarbonylContact C-O 3.45Å; R161-Y166 WeakPolarHBondContact CA-O 3.27Å; I162-Y166 PolarHBondContact N-O 3.34Å; I162-Y166 PolarHBondContact O-N 3.3Å
167V98.5Very high97.6Very high31 Ų3139.3 Ų39.319%0.18817%0.172CC..EExtended strand (participates in β ladder)trans-114.2132175.2178.30000109.1T72 E73 F74 I152 K159 L160T72-V167 PolarHBondContact O-N 3.26Å; E73-V167 VanDerWaalsContact CA-O 3.3Å; E73-V167 WeakPolarHBondContact CA-O 3.36Å; E73-V167 HydrophobicContact CG-CB 4.29Å; F74-V167 PolarHBondContact N-O 2.96Å; I152-V167 HydrophobicContact CD1-CB 4.45Å; I152-V167 HydrophobicContact CD1-CG1 3.63Å; I152-V167 HydrophobicContact CD1-CG2 3.99Å; K159-V167 HydrophobicContact CB-CG1 4.5Å; L160-V167 CarbonylContact O-C 3.09Å; L160-V167 VanDerWaalsContact O-CA 3.3Å; L160-V167 WeakPolarHBondContact O-CA 3.33Å
168V98.7Very high97.4Very high0 Ų042.4 Ų42.40%021%0.208CC..EExtended strand (participates in β ladder)trans-130.7113.7-177.8-168.80000108.7V34 V38 F74 V76 K159 L160 I162V34-V168 HydrophobicContact CB-CG2 4.37Å; V34-V168 HydrophobicContact CG1-CB 4.39Å; V34-V168 HydrophobicContact CG1-CG1 4.16Å; V34-V168 HydrophobicContact CG1-CG2 3.36Å; V34-V168 HydrophobicContact CG2-CG2 4.17Å; V38-V168 HydrophobicContact CG2-CB 4.41Å; V38-V168 HydrophobicContact CG2-CG1 3.83Å; F74-V168 HydrophobicContact CB-CG1 4.36Å; F74-V168 HydrophobicContact CD2-CG2 4.46Å; F74-V168 WeakPolarHBondContact O-CA 3.36Å; V76-V168 HydrophobicContact CG2-CG1 3.84Å; K159-V168 CarbonylContact C-O 3.48Å; K159-V168 WeakPolarHBondContact CA-O 3.46Å; L160-V168 HydrophobicContact CB-CB 4.46Å; L160-V168 PolarHBondContact N-O 3.5Å; L160-V168 PolarHBondContact O-N 3.34Å; I162-V168 HydrophobicContact CD1-CG2 3.75Å
169Q98.6Very high97.2Very high21 Ų2145.7 Ų45.710%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-82.7134.4168.7-178168.3-34.600109.2F74 E75 V76 E157 V158 K159 T171F74-Q169 PolarHBondContact O-N 3.02Å; E75-Q169 CarbonylContact C-O 3.4Å; E75-Q169 WeakPolarHBondContact CA-O 3.08Å; E75-Q169 HydrophobicContact CG-CB 4.44Å; V76-Q169 PolarHBondContact N-O 3.12Å; E157-Q169 PolarHBondContact OE2-NE2 3.4Å; V158-Q169 CarbonylContact O-C 3.54Å; V158-Q169 VanDerWaalsContact O-CA 3.31Å; V158-Q169 WeakPolarHBondContact O-CA 3.39Å; K159-Q169 HydrophobicContact CG-CB 4.02Å; K159-Q169 HydrophobicContact CG-CG 4.19Å; Q169-T171 PolarHBondContact NE2-OG1 3.24Å
170I98.5Very high97.2Very high0 Ų044.8 Ų44.80%022%0.219CC..EExtended strand (participates in β ladder)trans-111.8113.3171.7-51.4174.2000107.7V38 L42 V76 L78 F132 V158 L160V38-I170 HydrophobicContact CG1-CD1 3.9Å; V38-I170 HydrophobicContact CG1-CG1 4.38Å; L42-I170 HydrophobicContact CD2-CD1 4.41Å; L42-I170 HydrophobicContact CD2-CG2 4.43Å; V76-I170 HydrophobicContact CB-CG1 4.49Å; V76-I170 CarbonylContact O-C 3.6Å; V76-I170 WeakPolarHBondContact O-CA 3.28Å; L78-I170 HydrophobicContact CB-CG2 4.05Å; F132-I170 HydrophobicContact CE1-CB 4.07Å; F132-I170 HydrophobicContact CE1-CG2 3.73Å; F132-I170 HydrophobicContact CZ-CB 4.42Å; F132-I170 HydrophobicContact CZ-CG2 3.76Å; V158-I170 HydrophobicContact CG1-CB 4.3Å; V158-I170 PolarHBondContact O-N 3.22Å; L160-I170 HydrophobicContact CD1-CD1 3.78Å; L160-I170 HydrophobicContact CG-CD1 4.24Å
171T98.4Very high97.1Very high0 Ų044.8 Ų44.80%022%0.219CC..EExtended strand (participates in β ladder)trans-111110.2-171.6-58.30000109.8E75 V76 L78 Q169 A173 L211 K213E75-T171 WeakPolarHBondContact OE1-CB 3.33Å; E75-T171 PolarHBondContact OE1-OG1 2.99Å; V76-T171 PolarHBondContact O-N 3.12Å; L78-T171 PolarHBondContact N-O 3.27Å; Q169-T171 PolarHBondContact NE2-OG1 3.24Å; T171-A173 PolarHBondContact O-N 2.75Å; T171-L211 HydrophobicContact CG2-CB 3.72Å; T171-L211 HydrophobicContact CG2-CD2 4.09Å; T171-L211 HydrophobicContact CG2-CG 3.93Å; T171-K213 HydrophobicContact CG2-CB 4.16Å; T171-K213 HydrophobicContact CG2-CD 4.33Å; T171-K213 HydrophobicContact CG2-CG 4.41Å
172P98.2Very high96.9Very high1 Ų149.4 Ų49.41%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-58.6135.9171.5-22.733.6000111L78 L80 I128 F132 S212L78-P172 CarbonylContact O-C 3.54Å; L80-P172 HydrophobicContact CD1-CB 4.12Å; L80-P172 HydrophobicContact CD2-CB 4.37Å; L80-P172 HydrophobicContact CG-CB 4.36Å; I128-P172 HydrophobicContact CG2-CB 4.12Å; F132-P172 HydrophobicContact CB-CG 4.26Å; F132-P172 HydrophobicContact CD1-CG 3.49Å; F132-P172 VanDerWaalsContact CD1-CG 3.49Å; F132-P172 HydrophobicContact CE1-CG 4.05Å; F132-P172 HydrophobicContact CG-CG 3.98Å; P172-S212 WeakPolarHBondContact O-CB 3.48Å; P172-S212 PolarHBondContact O-N 3.44Å
173A98.1Very high96.8Very high0 Ų050.9 Ų50.90%025%0.247CC..EExtended strand (participates in β ladder)trans-148.7158.2-176.700000113.9V77 L78 Y79 L80 T171 L210 L211V77-A173 HydrophobicContact CG1-CB 3.41Å; V77-A173 VanDerWaalsContact CG1-CB 3.41Å; L78-A173 PolarHBondContact O-N 2.91Å; Y79-A173 HydrophobicContact CD1-CB 4.36Å; L80-A173 PolarHBondContact N-O 2.97Å; T171-A173 PolarHBondContact O-N 2.75Å; A173-L210 CarbonylContact C-O 3.56Å; A173-L210 WeakPolarHBondContact CA-O 3.48Å; A173-L210 VanDerWaalsContact CB-O 3.27Å; A173-L210 WeakPolarHBondContact CB-O 3.33Å; A173-L211 HydrophobicContact CB-CD1 4.32Å; A173-L211 HydrophobicContact CB-CG 4.22Å
174F97.2Very high96.7Very high2 Ų243.8 Ų43.81%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-111.5134.7164.7-65.9-75000109.9L80 N81 M83 L100 W113 L123 N209 L210 W230L80-F174 HydrophobicContact CB-CD1 4.04Å; L80-F174 HydrophobicContact CB-CE1 3.71Å; L80-F174 HydrophobicContact CB-CZ 4.2Å; L80-F174 HydrophobicContact CD1-CE1 4.23Å; L80-F174 HydrophobicContact CD1-CE2 4.15Å; L80-F174 HydrophobicContact CD1-CZ 3.85Å; N81-F174 WeakPolarHBondContact O-CD1 3.42Å; N81-F174 WeakPolarHBondContact O-CE1 3.25Å; M83-F174 HydrophobicContact CB-CD1 4.27Å; L100-F174 HydrophobicContact CD1-CD2 3.64Å; L100-F174 HydrophobicContact CD1-CE2 3.92Å; L100-F174 HydrophobicContact CD1-CG 4.45Å; W113-F174 AromaticContact NE1-CE1 3.81Å; W113-F174 AromaticContact NE1-CZ 3.74Å; L123-F174 HydrophobicContact CD2-CE2 3.51Å; L123-F174 HydrophobicContact CD2-CZ 3.74Å; F174-N209 WeakPolarHBondContact O-CA 3.23Å; F174-L210 HydrophobicContact CB-CB 4.4Å; F174-L210 PolarHBondContact N-O 2.92Å; F174-L210 PolarHBondContact O-N 3.07Å; F174-W230 HydrophobicContact CD2-CE3 4.18Å; F174-W230 AromaticContact CD2-CH2 3.62Å; F174-W230 HydrophobicContact CD2-CH2 3.62Å; F174-W230 HydrophobicContact CD2-CZ2 4.02Å; F174-W230 AromaticContact CD2-CZ3 3.7Å; F174-W230 HydrophobicContact CD2-CZ3 3.7Å; F174-W230 AromaticContact CE2-CH2 3.3Å; F174-W230 HydrophobicContact CE2-CH2 3.3Å; F174-W230 AromaticContact CE2-CZ2 3.6Å; F174-W230 HydrophobicContact CE2-CZ2 3.6Å; F174-W230 AromaticContact CE2-CZ3 3.88Å; F174-W230 HydrophobicContact CE2-CZ3 3.88Å; F174-W230 HydrophobicContact CZ-CH2 4.42Å
175K96.3Very high96.7Very high81 Ų8141 Ų4135%0.35222%0.218SC..EExtended strand (participates in β ladder)trans-86.9128.8172.2-169.9163.5-173.3168.80109.5E64 Y79 T177 N209E64-K175 IonicContact OE1-NZ 2.73Å; E64-K175 PolarHBondContact OE1-NZ 2.89Å; Y79-K175 HydrophobicContact CD1-CB 3.99Å; Y79-K175 HydrophobicContact CE1-CB 4.05Å; Y79-K175 HydrophobicContact CE1-CD 4.36Å; K175-T177 HydrophobicContact CG-CG2 4.37Å; K175-N209 WeakPolarHBondContact CG-OD1 3.46Å
176C96.2Very high96.5Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-116.3112.9-178.7-63.90000109.8I179 G207 F208C176-I179 HydrophobicContact CB-CD1 4.32Å; C176-I179 HydrophobicContact CB-CG1 4.39Å; C176-G207 VanDerWaalsContact O-CA 3.26Å; C176-G207 WeakPolarHBondContact O-CA 3.24Å; C176-F208 WeakPolarHBondContact CA-O 3.48Å; C176-F208 HydrophobicContact CB-CD1 4Å; C176-F208 HydrophobicContact CB-CD2 4.16Å; C176-F208 HydrophobicContact CB-CE1 3.63Å; C176-F208 HydrophobicContact CB-CE2 3.78Å; C176-F208 HydrophobicContact CB-CG 4.27Å; C176-F208 HydrophobicContact CB-CZ 3.5Å; C176-F208 WeakPolarHBondContact CB-O 3.36Å; C176-F208 PolarHBondContact N-O 3.48Å; C176-F208 PolarHBondContact O-N 3.35Å
177T93.8Very high96.5Very high89 Ų8936.8 Ų36.855%0.54621%0.205SC..  trans-118.1158.5177.758.50000110.8K175 I179K175-T177 HydrophobicContact CG-CG2 4.37Å; T177-I179 PolarHBondContact O-N 3.44Å; T177-I179 VanDerWaalsContact O-N 3.16Å
178G91.9Very high96.4Very high78 Ų7837.3 Ų37.380%0.80421%0.209SC*.SBendtrans73.9-1.5179.300000115.4
179I94.3Very high96.2Very high68 Ų6841 Ų4135%0.34923%0.227SC..  trans-132.6151.4174.554163.5000109.6F88 C176 T177 F208F88-I179 HydrophobicContact CB-CD1 3.8Å; F88-I179 HydrophobicContact CD1-CD1 3.79Å; F88-I179 HydrophobicContact CG-CD1 3.93Å; C176-I179 HydrophobicContact CB-CD1 4.32Å; C176-I179 HydrophobicContact CB-CG1 4.39Å; T177-I179 PolarHBondContact O-N 3.44Å; T177-I179 VanDerWaalsContact O-N 3.16Å; I179-F208 HydrophobicContact CD1-CE1 4.16Å; I179-F208 HydrophobicContact CD1-CZ 4.1Å; I179-F208 HydrophobicContact CG1-CE1 3.97Å; I179-F208 HydrophobicContact CG1-CZ 4.42Å; I179-F208 WeakPolarHBondContact O-CE1 3.36Å
180W96.8Very high95.9Very high41 Ų4146.2 Ų46.216%0.15526%0.263CS..  trans-123.4137.4175.4-166.9-106.3000109.9A184 W187 V203 K204 G207 F234 A237 F320W180-A184 HydrophobicContact CZ2-CB 4.31Å; W180-A184 PolarHBondContact NE1-O 2.82Å; W180-W187 HydrophobicContact CZ2-CE3 4.41Å; W180-V203 HydrophobicContact CH2-CG1 4.47Å; W180-K204 HydrophobicContact CD2-CG 4Å; W180-K204 HydrophobicContact CE3-CB 4.35Å; W180-K204 HydrophobicContact CE3-CG 4.14Å; W180-K204 HydrophobicContact CG-CD 4.39Å; W180-K204 HydrophobicContact CG-CG 4.28Å; W180-G207 WeakPolarHBondContact CZ3-O 3.45Å; W180-F234 AromaticContact CH2-CD1 3.45Å; W180-F234 HydrophobicContact CH2-CD1 3.45Å; W180-F234 VanDerWaalsContact CH2-CD1 3.45Å; W180-F234 AromaticContact CH2-CE1 3.67Å; W180-F234 HydrophobicContact CH2-CE1 3.67Å; W180-F234 AromaticContact CZ2-CD1 3.94Å; W180-F234 HydrophobicContact CZ2-CD1 3.94Å; W180-F234 AromaticContact CZ2-CE1 3.76Å; W180-F234 HydrophobicContact CZ2-CE1 3.76Å; W180-F234 AromaticContact CZ3-CD1 3.99Å; W180-F234 HydrophobicContact CZ3-CD1 3.99Å; W180-F234 HydrophobicContact CZ3-CE1 4.13Å; W180-A237 HydrophobicContact CH2-CB 4.02Å; W180-A237 HydrophobicContact CZ3-CB 4.21Å; W180-F320 HydrophobicContact CH2-CE1 4.34Å; W180-F320 HydrophobicContact CH2-CZ 4.36Å; W180-F320 AromaticContact CZ2-CD1 3.88Å; W180-F320 HydrophobicContact CZ2-CD1 3.88Å; W180-F320 AromaticContact CZ2-CE1 3.96Å; W180-F320 HydrophobicContact CZ2-CE1 3.96Å; W180-F320 HydrophobicContact CZ2-CG 4.28Å; W180-F320 HydrophobicContact CZ2-CZ 4.42Å
181P96.8Very high95.7Very high0 Ų053.1 Ų53.10%029%0.294CS..  trans-59.8140.9-177.2-25.737.9000112.1F88 D90 S183 A184 A185 F208 L232 F234F88-P181 HydrophobicContact CE1-CB 4.41Å; F88-P181 HydrophobicContact CZ-CB 3.97Å; F88-P181 HydrophobicContact CZ-CG 4.17Å; D90-P181 WeakPolarHBondContact OD2-CB 3.47Å; P181-S183 VanDerWaalsContact C-N 3.29Å; P181-S183 PolarHBondContact O-N 2.9Å; P181-A184 HydrophobicContact CB-CB 4.21Å; P181-A184 CarbonylContact O-C 3.23Å; P181-A184 PolarHBondContact O-N 3.29Å; P181-A184 VanDerWaalsContact O-N 3.09Å; P181-A185 PolarHBondContact O-N 3.34Å; P181-F208 VanDerWaalsContact CD-CD1 3.44Å; P181-F208 HydrophobicContact CG-CB 4.48Å; P181-F208 HydrophobicContact CG-CD1 3.56Å; P181-F208 HydrophobicContact CG-CD2 3.9Å; P181-F208 HydrophobicContact CG-CE1 3.59Å; P181-F208 HydrophobicContact CG-CE2 3.94Å; P181-F208 HydrophobicContact CG-CG 3.71Å; P181-F208 HydrophobicContact CG-CZ 3.79Å; P181-L232 HydrophobicContact CB-CD1 4.37Å; P181-L232 HydrophobicContact CB-CD2 4.44Å; P181-L232 HydrophobicContact CG-CD2 4.03Å; P181-F234 HydrophobicContact CG-CE1 3.88Å; P181-F234 HydrophobicContact CG-CZ 3.87Å
182R95.6Very high95.6Very high189 Ų18954.4 Ų54.471%0.71330%0.301SS*.G310 helixtrans-64.6-37.5178.1-175.6179.9177.8172.1-0.6110.9D90 A184 A185D90-R182 WeakPolarHBondContact O-CB 3.48Å; D90-R182 WeakPolarHBondContact OD2-CA 3.43Å; D90-R182 PolarHBondContact OD2-N 2.87Å; R182-A184 PolarHBondContact O-N 2.95Å; R182-A185 VanDerWaalsContact O-CB 3.28Å; R182-A185 WeakPolarHBondContact O-CB 3.37Å; R182-A185 PolarHBondContact O-N 3.37Å; R182-A185 VanDerWaalsContact O-N 3.07Å
183S94.9Very high95.5Very high31 Ų3159.3 Ų59.322%0.21733%0.333CS..G310 helixtrans-64.7-12.8175.2680000113.7D90 P181 Q186 L321D90-S183 WeakPolarHBondContact OD2-CB 3.4Å; D90-S183 PolarHBondContact OD2-N 3.49Å; D90-S183 PolarHBondContact OD2-OG 3.5Å; D90-S183 VanDerWaalsContact OD2-OG 3.07Å; P181-S183 VanDerWaalsContact C-N 3.29Å; P181-S183 PolarHBondContact O-N 2.9Å; S183-Q186 PolarHBondContact O-NE2 2.96Å; S183-Q186 PolarHBondContact O-OE1 3.01Å; S183-Q186 VanDerWaalsContact O-OE1 3.11Å; S183-L321 WeakPolarHBondContact OG-CD2 3.37Å
184A96.8Very high95.5Very high0 Ų059.8 Ų59.80%034%0.335CS..G310 helixtrans-116.24.7175.300000112.6W180 P181 R182 Q186 W187 F234 F320 L321W180-A184 HydrophobicContact CZ2-CB 4.31Å; W180-A184 PolarHBondContact NE1-O 2.82Å; P181-A184 HydrophobicContact CB-CB 4.21Å; P181-A184 CarbonylContact O-C 3.23Å; P181-A184 PolarHBondContact O-N 3.29Å; P181-A184 VanDerWaalsContact O-N 3.09Å; R182-A184 PolarHBondContact O-N 2.95Å; A184-Q186 VanDerWaalsContact C-N 3.26Å; A184-Q186 PolarHBondContact O-N 2.84Å; A184-W187 WeakPolarHBondContact O-CB 3.42Å; A184-W187 PolarHBondContact O-N 3.2Å; A184-W187 VanDerWaalsContact O-N 3.13Å; A184-F234 HydrophobicContact CB-CE1 4.32Å; A184-F234 HydrophobicContact CB-CZ 4.04Å; A184-F320 WeakPolarHBondContact CA-O 3.33Å; A184-F320 HydrophobicContact CB-CB 4.14Å; A184-L321 HydrophobicContact CB-CD2 4.03Å
185A95.2Very high95.5Very high58 Ų5860.1 Ų60.148%0.47934%0.337SS..THydrogen-bonded Turntrans-71.7-20.6-174.100000113.2P181 R182 W187P181-A185 PolarHBondContact O-N 3.34Å; R182-A185 VanDerWaalsContact O-CB 3.28Å; R182-A185 WeakPolarHBondContact O-CB 3.37Å; R182-A185 PolarHBondContact O-N 3.37Å; R182-A185 VanDerWaalsContact O-N 3.07Å; A185-W187 PolarHBondContact O-N 2.98Å
186Q93.9Very high95.5Very high75 Ų7558.2 Ų58.235%0.3534%0.34SS..THydrogen-bonded Turntrans-64.2-14.6170.970.1-77.9-1.600113.2S183 A184 P188 M189 F320S183-Q186 PolarHBondContact O-NE2 2.96Å; S183-Q186 PolarHBondContact O-OE1 3.01Å; S183-Q186 VanDerWaalsContact O-OE1 3.11Å; A184-Q186 VanDerWaalsContact C-N 3.26Å; A184-Q186 PolarHBondContact O-N 2.84Å; Q186-P188 CarbonylContact O-C 3.58Å; Q186-P188 VanDerWaalsContact O-C 3.23Å; Q186-P188 VanDerWaalsContact O-O 3.07Å; Q186-M189 HydrophobicContact CB-SD 4.42Å; Q186-M189 HydrophobicContact CG-SD 4.47Å; Q186-F320 PolarHBondContact NE2-O 2.96Å
187W97.8Very high95.5Very high8 Ų863.4 Ų63.43%0.0337%0.374CS..PPolyproline II helixtrans-88.6136.5176.1-17790.7000111.9W180 A184 A185 P195 V200 V203 K204 L241 Y319 F320W180-W187 HydrophobicContact CZ2-CE3 4.41Å; A184-W187 WeakPolarHBondContact O-CB 3.42Å; A184-W187 PolarHBondContact O-N 3.2Å; A184-W187 VanDerWaalsContact O-N 3.13Å; A185-W187 PolarHBondContact O-N 2.98Å; W187-P195 HydrophobicContact CH2-CG 4.21Å; W187-P195 HydrophobicContact CZ2-CG 3.89Å; W187-V200 HydrophobicContact CH2-CB 4.48Å; W187-V200 HydrophobicContact CH2-CG1 4.26Å; W187-V200 HydrophobicContact CH2-CG2 4.41Å; W187-V200 HydrophobicContact CZ3-CG1 3.94Å; W187-V203 HydrophobicContact CH2-CB 3.81Å; W187-V203 HydrophobicContact CH2-CG1 3.54Å; W187-V203 HydrophobicContact CH2-CG2 4.29Å; W187-V203 HydrophobicContact CZ2-CG1 4.42Å; W187-V203 HydrophobicContact CZ3-CB 4.18Å; W187-V203 HydrophobicContact CZ3-CG1 3.76Å; W187-K204 HydrophobicContact CZ3-CG 4.24Å; W187-K204 WeakPolarHBondContact O-CE 3.39Å; W187-K204 PolarHBondContact O-NZ 3.16Å; W187-K204 VanDerWaalsContact O-NZ 3.13Å; W187-L241 HydrophobicContact CH2-CD1 4.49Å; W187-L241 HydrophobicContact CH2-CD2 4.5Å; W187-L241 HydrophobicContact CZ2-CD1 3.99Å; W187-L241 HydrophobicContact CZ2-CD2 3.76Å; W187-Y319 AromaticContact CD1-CE1 3.89Å; W187-Y319 AromaticContact CD1-CZ 3.98Å; W187-Y319 AromaticContact NE1-CE1 3.46Å; W187-Y319 AromaticContact NE1-CZ 3.53Å; W187-Y319 PolarHBondContact NE1-OH 3.31Å; W187-F320 HydrophobicContact CB-CD1 4.18Å; W187-F320 AromaticContact CD2-CD1 3.95Å; W187-F320 HydrophobicContact CD2-CD1 3.95Å; W187-F320 AromaticContact CD2-CE1 3.54Å; W187-F320 HydrophobicContact CD2-CE1 3.54Å; W187-F320 AromaticContact CE2-CE1 3.66Å; W187-F320 HydrophobicContact CE3-CD1 4.38Å; W187-F320 AromaticContact CE3-CE1 3.86Å; W187-F320 HydrophobicContact CE3-CE1 3.86Å; W187-F320 AromaticContact CG-CD1 3.81Å; W187-F320 HydrophobicContact CG-CD1 3.81Å; W187-F320 AromaticContact CG-CE1 3.88Å; W187-F320 HydrophobicContact CG-CE1 3.88Å; W187-F320 HydrophobicContact CH2-CE1 4.37Å; W187-F320 HydrophobicContact CZ2-CE1 4.09Å; W187-F320 HydrophobicContact CZ3-CE1 4.25Å; W187-F320 AromaticContact NE1-CE1 3.98Å
188P97.2Very high95.7Very high42 Ų4265.4 Ų65.427%0.27338%0.382SS..SBendcis-76.2154.7-5.733.7-37.5000112.4Q186 V200Q186-P188 CarbonylContact O-C 3.58Å; Q186-P188 VanDerWaalsContact O-C 3.23Å; Q186-P188 VanDerWaalsContact O-O 3.07Å; P188-V200 HydrophobicContact CG-CG1 4.12Å; P188-V200 HydrophobicContact CG-CG2 3.9Å
189M94.3Very high95.9Very high76 Ų7665.2 Ų65.237%0.37436%0.356SS..PPolyproline II helixtrans-69.8131.7175.5-66.4-62.8-69.500110.3Q186 H191 I192Q186-M189 HydrophobicContact CB-SD 4.42Å; Q186-M189 HydrophobicContact CG-SD 4.47Å; M189-H191 PolarHBondContact O-N 2.74Å; M189-I192 HydrophobicContact CB-CD1 3.71Å; M189-I192 HydrophobicContact CB-CG1 3.89Å; M189-I192 HydrophobicContact CG-CD1 4.11Å; M189-I192 PolarHBondContact O-N 3.49Å
190P92.8Very high96.1Very high132 Ų13262.9 Ų62.986%0.85735%0.345SS*.THydrogen-bonded Turntrans-58.6-24.2-172.7-28.334.6000116
191H94.5Very high96.2Very high144 Ų14463.9 Ų63.967%0.66736%0.362SS*.THydrogen-bonded Turntrans-89.1-3.8-178.661.4-90.7000113.6M189M189-H191 PolarHBondContact O-N 2.74Å
192I95.4Very high96.2Very high27 Ų2767.5 Ų67.514%0.13838%0.379CS..  trans-101.3118-178.9-55.8-178.7000108M189 W194 E283M189-I192 HydrophobicContact CB-CD1 3.71Å; M189-I192 HydrophobicContact CB-CG1 3.89Å; M189-I192 HydrophobicContact CG-CD1 4.11Å; M189-I192 PolarHBondContact O-N 3.49Å; I192-W194 HydrophobicContact CG2-CB 4.48Å; I192-W194 PolarHBondContact O-N 3.4Å; I192-W194 VanDerWaalsContact O-N 3.07Å; I192-E283 HydrophobicContact CD1-CB 4.12Å; I192-E283 VanDerWaalsContact CD1-CD 3.41Å; I192-E283 HydrophobicContact CD1-CG 4.09Å; I192-E283 VanDerWaalsContact CD1-OE2 3.31Å; I192-E283 WeakPolarHBondContact CD1-OE2 3.33Å; I192-E283 HydrophobicContact CG2-CB 3.81Å; I192-E283 HydrophobicContact CG2-CG 3.92Å
193P95.5Very high96.3Very high105 Ų10558.5 Ų58.568%0.68235%0.345SS*.  trans-79.915.5-17632.8-34.4000113.3P286P193-P286 HydrophobicContact CG-CB 3.74Å; P193-P286 HydrophobicContact CG-CG 3.68Å
194W98Very high96.5Very high9 Ų960.3 Ų60.33%0.03435%0.349CS..  trans-133.5144.2179.6-179.894.3000111.2I192 L241 L279 C282 E283 P286 Y319I192-W194 HydrophobicContact CG2-CB 4.48Å; I192-W194 PolarHBondContact O-N 3.4Å; I192-W194 VanDerWaalsContact O-N 3.07Å; W194-L241 HydrophobicContact CH2-CD1 3.36Å; W194-L241 HydrophobicContact CH2-CD2 4.02Å; W194-L241 HydrophobicContact CH2-CG 3.47Å; W194-L241 VanDerWaalsContact CH2-CG 3.47Å; W194-L241 HydrophobicContact CZ2-CD1 3.67Å; W194-L241 HydrophobicContact CZ2-CG 4.09Å; W194-L241 HydrophobicContact CZ3-CD1 3.85Å; W194-L241 HydrophobicContact CZ3-CD2 4.24Å; W194-L241 HydrophobicContact CZ3-CG 4.14Å; W194-L279 HydrophobicContact CH2-CD2 4.34Å; W194-C282 HydrophobicContact CD2-CB 3.89Å; W194-C282 HydrophobicContact CE3-CB 3.85Å; W194-C282 HydrophobicContact CH2-CB 3.32Å; W194-C282 HydrophobicContact CZ2-CB 3.41Å; W194-C282 VanDerWaalsContact CZ2-CB 3.41Å; W194-C282 HydrophobicContact CZ3-CB 3.57Å; W194-E283 HydrophobicContact CE3-CG 4Å; W194-E283 HydrophobicContact CZ3-CG 4.21Å; W194-P286 HydrophobicContact CB-CB 3.45Å; W194-P286 VanDerWaalsContact CB-CB 3.45Å; W194-P286 VanDerWaalsContact CD1-O 3.28Å; W194-P286 HydrophobicContact CG-CB 4.39Å; W194-Y319 WeakPolarHBondContact CZ3-OH 3.34Å
195P97.8Very high96.5Very high10 Ų1063.7 Ų63.77%0.06538%0.377CS..SBendcis-77.3169.1-9.637.8-39.6000110.9W187 R199 V200 L241W187-P195 HydrophobicContact CH2-CG 4.21Å; W187-P195 HydrophobicContact CZ2-CG 3.89Å; P195-R199 HydrophobicContact CB-CB 3.93Å; P195-R199 HydrophobicContact CB-CG 3.84Å; P195-R199 HydrophobicContact CG-CB 4.41Å; P195-R199 HydrophobicContact CG-CG 4.27Å; P195-V200 HydrophobicContact CG-CG2 3.72Å; P195-L241 HydrophobicContact CB-CD1 3.9Å; P195-L241 HydrophobicContact CG-CD1 3.57Å
196G96.2Very high96.6Very high40 Ų4063.4 Ų63.441%0.41237%0.366SS..  trans-60.8154174.100000112.4N198 R199 V200G196-N198 VanDerWaalsContact C-N 3.27Å; G196-N198 PolarHBondContact O-N 3.18Å; G196-N198 VanDerWaalsContact O-N 3.1Å; G196-R199 PolarHBondContact O-N 2.85Å; G196-V200 PolarHBondContact O-N 3.37Å; G196-V200 VanDerWaalsContact O-N 3.11Å
197P96.3Very high96.8Very high109 Ų10959.9 Ų59.971%0.70835%0.35SS*.Hα-helixtrans-53.5-36.4-173-28.434.8000115.2R199 V200 A201P197-R199 PolarHBondContact O-N 3.49Å; P197-V200 WeakPolarHBondContact O-CB 3.38Å; P197-V200 PolarHBondContact O-N 3.08Å; P197-A201 PolarHBondContact O-N 2.81Å
198N97.3Very high96.8Very high132 Ų13259.6 Ų59.671%0.70635%0.349SS*.Hα-helixtrans-62.5-43.9177.3-66.5-10.7000111.7G196 V200 A201 E202G196-N198 VanDerWaalsContact C-N 3.27Å; G196-N198 PolarHBondContact O-N 3.18Å; G196-N198 VanDerWaalsContact O-N 3.1Å; N198-V200 VanDerWaalsContact C-N 3.33Å; N198-V200 PolarHBondContact O-N 3.15Å; N198-A201 WeakPolarHBondContact O-CB 3.24Å; N198-A201 PolarHBondContact O-N 3.07Å; N198-E202 WeakPolarHBondContact O-CG 3.41Å; N198-E202 PolarHBondContact O-N 3.13Å
199R97.7Very high96.8Very high73 Ų7357.6 Ų57.628%0.27534%0.336SS..Hα-helixtrans-68.3-34.3176.6-176.27375.6-143.7-2.6111.3P195 G196 P197 A201 E202 V203P195-R199 HydrophobicContact CB-CB 3.93Å; P195-R199 HydrophobicContact CB-CG 3.84Å; P195-R199 HydrophobicContact CG-CB 4.41Å; P195-R199 HydrophobicContact CG-CG 4.27Å; G196-R199 PolarHBondContact O-N 2.85Å; P197-R199 PolarHBondContact O-N 3.49Å; R199-A201 VanDerWaalsContact C-N 3.31Å; R199-A201 PolarHBondContact O-N 3.41Å; R199-E202 IonicContact CZ-OE2 2.73Å; R199-E202 IonicContact NE-OE2 2.77Å; R199-E202 IonicContact NH1-OE1 3.63Å; R199-E202 IonicContact NH1-OE2 3.15Å; R199-E202 PolarHBondContact NH1-OE2 3.16Å; R199-E202 PolarHBondContact O-N 2.97Å; R199-V203 HydrophobicContact CG-CG2 4.28Å; R199-V203 WeakPolarHBondContact O-CB 3.45Å; R199-V203 WeakPolarHBondContact O-CG2 3.3Å; R199-V203 PolarHBondContact O-N 2.96Å
200V98.1Very high97Very high19 Ų1954 Ų5412%0.11532%0.318CS..Hα-helixtrans-57.8-46.4172.2178.70000110.7W187 P188 P195 G196 P197 N198 V203 K204W187-V200 HydrophobicContact CH2-CB 4.48Å; W187-V200 HydrophobicContact CH2-CG1 4.26Å; W187-V200 HydrophobicContact CH2-CG2 4.41Å; W187-V200 HydrophobicContact CZ3-CG1 3.94Å; P188-V200 HydrophobicContact CG-CG1 4.12Å; P188-V200 HydrophobicContact CG-CG2 3.9Å; P195-V200 HydrophobicContact CG-CG2 3.72Å; G196-V200 PolarHBondContact O-N 3.37Å; G196-V200 VanDerWaalsContact O-N 3.11Å; P197-V200 WeakPolarHBondContact O-CB 3.38Å; P197-V200 PolarHBondContact O-N 3.08Å; N198-V200 VanDerWaalsContact C-N 3.33Å; N198-V200 PolarHBondContact O-N 3.15Å; V200-V203 PolarHBondContact O-N 2.87Å; V200-K204 HydrophobicContact CG1-CD 4.38Å; V200-K204 PolarHBondContact O-N 2.98Å
201A97.7Very high97.2Very high62 Ų6247.8 Ų47.851%0.51228%0.277SS..Hα-helixtrans-62.2-44.8178.200000111.8P197 N198 R199 K204 A205P197-A201 PolarHBondContact O-N 2.81Å; N198-A201 WeakPolarHBondContact O-CB 3.24Å; N198-A201 PolarHBondContact O-N 3.07Å; R199-A201 VanDerWaalsContact C-N 3.31Å; R199-A201 PolarHBondContact O-N 3.41Å; A201-K204 PolarHBondContact O-N 3.25Å; A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 2.85Å
202E97.9Very high97.3Very high76 Ų7640.9 Ų40.936%0.35525%0.246SC..Hα-helixtrans-60.3-45.8175.5-68.3171.7-158.100112.4N198 R199 K204 A205 E206 R240N198-E202 WeakPolarHBondContact O-CG 3.41Å; N198-E202 PolarHBondContact O-N 3.13Å; R199-E202 IonicContact CZ-OE2 2.73Å; R199-E202 IonicContact NE-OE2 2.77Å; R199-E202 IonicContact NH1-OE1 3.63Å; R199-E202 IonicContact NH1-OE2 3.15Å; R199-E202 PolarHBondContact NH1-OE2 3.16Å; R199-E202 PolarHBondContact O-N 2.97Å; E202-K204 PolarHBondContact O-N 3.02Å; E202-A205 WeakPolarHBondContact O-CB 3.4Å; E202-A205 PolarHBondContact O-N 2.75Å; E202-A205 VanDerWaalsContact O-N 3.16Å; E202-E206 PolarHBondContact O-N 3.01Å; E202-E206 VanDerWaalsContact O-N 3.15Å; E202-R240 HydrophobicContact CB-CG 4.08Å
203V98.1Very high97.2Very high0 Ų041.7 Ų41.70%025%0.248CC..Hα-helixtrans-62.8-42.3179.7170.30000111.3W180 W187 R199 V200 A205 E206 A237 R240 L241 F320W180-V203 HydrophobicContact CH2-CG1 4.47Å; W187-V203 HydrophobicContact CH2-CB 3.81Å; W187-V203 HydrophobicContact CH2-CG1 3.54Å; W187-V203 HydrophobicContact CH2-CG2 4.29Å; W187-V203 HydrophobicContact CZ2-CG1 4.42Å; W187-V203 HydrophobicContact CZ3-CB 4.18Å; W187-V203 HydrophobicContact CZ3-CG1 3.76Å; R199-V203 HydrophobicContact CG-CG2 4.28Å; R199-V203 WeakPolarHBondContact O-CB 3.45Å; R199-V203 WeakPolarHBondContact O-CG2 3.3Å; R199-V203 PolarHBondContact O-N 2.96Å; V200-V203 PolarHBondContact O-N 2.87Å; V203-A205 VanDerWaalsContact C-N 3.31Å; V203-E206 PolarHBondContact O-N 3Å; V203-A237 HydrophobicContact CG1-CB 3.91Å; V203-R240 HydrophobicContact CG2-CB 4.15Å; V203-R240 HydrophobicContact CG2-CG 3.88Å; V203-L241 HydrophobicContact CG2-CB 3.75Å; V203-L241 HydrophobicContact CG2-CD1 4.14Å; V203-L241 HydrophobicContact CG2-CG 4.46Å; V203-F320 HydrophobicContact CG1-CZ 4.1Å
204K98Very high96.8Very high70 Ų7041.8 Ų41.830%0.30424%0.24SC..Hα-helixtrans-68.8-30.5175.3-71.6-173.8176.3-179.40112.4W180 W187 V200 A201 E202 E206 G207W180-K204 HydrophobicContact CD2-CG 4Å; W180-K204 HydrophobicContact CE3-CB 4.35Å; W180-K204 HydrophobicContact CE3-CG 4.14Å; W180-K204 HydrophobicContact CG-CD 4.39Å; W180-K204 HydrophobicContact CG-CG 4.28Å; W187-K204 HydrophobicContact CZ3-CG 4.24Å; W187-K204 WeakPolarHBondContact O-CE 3.39Å; W187-K204 PolarHBondContact O-NZ 3.16Å; W187-K204 VanDerWaalsContact O-NZ 3.13Å; V200-K204 HydrophobicContact CG1-CD 4.38Å; V200-K204 PolarHBondContact O-N 2.98Å; A201-K204 PolarHBondContact O-N 3.25Å; E202-K204 PolarHBondContact O-N 3.02Å; K204-E206 VanDerWaalsContact C-N 3.35Å; K204-G207 PolarHBondContact O-N 3.04Å
205A97.5Very high96Very high70 Ų7042.3 Ų42.358%0.57924%0.244SC*.Hα-helixtrans-68.9-30.9177.400000113A201 E202 V203 G207A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 2.85Å; E202-A205 WeakPolarHBondContact O-CB 3.4Å; E202-A205 PolarHBondContact O-N 2.75Å; E202-A205 VanDerWaalsContact O-N 3.16Å; V203-A205 VanDerWaalsContact C-N 3.31Å; A205-G207 PolarHBondContact O-N 3.47Å
206E96.8Very high94.7Very high53 Ų5348.7 Ų48.725%0.24827%0.268CS..Hα-helixtrans-60.7-28.1171.6-63.8-63.616700112.4E202 V203 K204 E236 A237 R240E202-E206 PolarHBondContact O-N 3.01Å; E202-E206 VanDerWaalsContact O-N 3.15Å; V203-E206 PolarHBondContact O-N 3Å; K204-E206 VanDerWaalsContact C-N 3.35Å; E206-E236 HydrophobicContact CB-CB 4.17Å; E206-A237 HydrophobicContact CB-CB 4.23Å; E206-R240 HydrophobicContact CG-CB 3.92Å; E206-R240 HydrophobicContact CG-CG 4.13Å; E206-R240 IonicContact OE1-CZ 3.93Å; E206-R240 IonicContact OE1-NE 2.82Å; E206-R240 PolarHBondContact OE1-NE 2.85Å; E206-R240 IonicContact OE1-NH2 2.68Å; E206-R240 PolarHBondContact OE1-NH2 3.25Å
207G97.4Very high93.2Very high1 Ų147.2 Ų47.21%0.0125%0.252CS..  trans74.3-149.2-179.500000113.3C176 W180 K204 A205C176-G207 VanDerWaalsContact O-CA 3.26Å; C176-G207 WeakPolarHBondContact O-CA 3.24Å; W180-G207 WeakPolarHBondContact CZ3-O 3.45Å; K204-G207 PolarHBondContact O-N 3.04Å; A205-G207 PolarHBondContact O-N 3.47Å
208F98Very high91.7Very high1 Ų143.3 Ų43.30%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-151.7168.3-177.766.3-81.7000110.5F88 C176 I179 P181 L210 L232 Q233 F234F88-F208 HydrophobicContact CD1-CZ 4.12Å; F88-F208 HydrophobicContact CD2-CE2 4.05Å; F88-F208 AromaticContact CD2-CZ 3.85Å; F88-F208 HydrophobicContact CD2-CZ 3.85Å; F88-F208 AromaticContact CE1-CZ 3.83Å; F88-F208 HydrophobicContact CE1-CZ 3.83Å; F88-F208 AromaticContact CE2-CE2 3.53Å; F88-F208 HydrophobicContact CE2-CE2 3.53Å; F88-F208 AromaticContact CE2-CZ 3.52Å; F88-F208 HydrophobicContact CE2-CZ 3.52Å; F88-F208 HydrophobicContact CG-CZ 4.12Å; F88-F208 HydrophobicContact CZ-CE1 4.48Å; F88-F208 AromaticContact CZ-CE2 3.84Å; F88-F208 HydrophobicContact CZ-CE2 3.84Å; F88-F208 AromaticContact CZ-CZ 3.51Å; F88-F208 HydrophobicContact CZ-CZ 3.51Å; C176-F208 WeakPolarHBondContact CA-O 3.48Å; C176-F208 HydrophobicContact CB-CD1 4Å; C176-F208 HydrophobicContact CB-CD2 4.16Å; C176-F208 HydrophobicContact CB-CE1 3.63Å; C176-F208 HydrophobicContact CB-CE2 3.78Å; C176-F208 HydrophobicContact CB-CG 4.27Å; C176-F208 HydrophobicContact CB-CZ 3.5Å; C176-F208 WeakPolarHBondContact CB-O 3.36Å; C176-F208 PolarHBondContact N-O 3.48Å; C176-F208 PolarHBondContact O-N 3.35Å; I179-F208 HydrophobicContact CD1-CE1 4.16Å; I179-F208 HydrophobicContact CD1-CZ 4.1Å; I179-F208 HydrophobicContact CG1-CE1 3.97Å; I179-F208 HydrophobicContact CG1-CZ 4.42Å; I179-F208 WeakPolarHBondContact O-CE1 3.36Å; P181-F208 VanDerWaalsContact CD-CD1 3.44Å; P181-F208 HydrophobicContact CG-CB 4.48Å; P181-F208 HydrophobicContact CG-CD1 3.56Å; P181-F208 HydrophobicContact CG-CD2 3.9Å; P181-F208 HydrophobicContact CG-CE1 3.59Å; P181-F208 HydrophobicContact CG-CE2 3.94Å; P181-F208 HydrophobicContact CG-CG 3.71Å; P181-F208 HydrophobicContact CG-CZ 3.79Å; F208-L210 HydrophobicContact CD2-CD2 4.38Å; F208-L210 HydrophobicContact CE2-CD2 3.86Å; F208-L210 HydrophobicContact CE2-CG 3.99Å; F208-L232 HydrophobicContact CD2-CD2 3.5Å; F208-L232 HydrophobicContact CE2-CD2 3.5Å; F208-Q233 WeakPolarHBondContact CA-O 3.46Å; F208-Q233 WeakPolarHBondContact CB-O 3.21Å; F208-F234 HydrophobicContact CB-CD1 3.75Å; F208-F234 HydrophobicContact CB-CE1 3.77Å; F208-F234 HydrophobicContact CB-CG 4.5Å; F208-F234 HydrophobicContact CG-CE1 4.44Å
209N97.9Very high89.9Confident1 Ų141.2 Ų41.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-115.8146.9178.8-58.3-52.9000111.1Y79 F174 K175 L211 Q233 E236Y79-N209 WeakPolarHBondContact CE1-OD1 3.42Å; Y79-N209 PolarHBondContact OH-ND2 2.92Å; F174-N209 WeakPolarHBondContact O-CA 3.23Å; K175-N209 WeakPolarHBondContact CG-OD1 3.46Å; N209-L211 HydrophobicContact CB-CD1 3.49Å; N209-L211 VanDerWaalsContact CB-CD1 3.49Å; N209-Q233 HydrophobicContact CB-CB 4.5Å; N209-Q233 PolarHBondContact N-O 3.39Å; N209-Q233 PolarHBondContact ND2-OE1 3.11Å; N209-Q233 PolarHBondContact O-N 3.02Å; N209-E236 PolarHBondContact ND2-OE2 3.4Å
210L97.6Very high87.8Confident0 Ų041.5 Ų41.50%024%0.243CC..EExtended strand (participates in β ladder)trans-107.7109.2172.7-70.8179.2000108.7F88 A98 L100 A173 F174 F208 W230 L232F88-L210 HydrophobicContact CD2-CD1 4.02Å; F88-L210 HydrophobicContact CD2-CD2 4.33Å; F88-L210 HydrophobicContact CE2-CD2 4.04Å; A98-L210 HydrophobicContact CB-CD2 4.13Å; L100-L210 HydrophobicContact CD1-CD1 4.07Å; L100-L210 HydrophobicContact CD2-CD1 3.73Å; L100-L210 HydrophobicContact CG-CD1 3.92Å; A173-L210 CarbonylContact C-O 3.56Å; A173-L210 WeakPolarHBondContact CA-O 3.48Å; A173-L210 VanDerWaalsContact CB-O 3.27Å; A173-L210 WeakPolarHBondContact CB-O 3.33Å; F174-L210 HydrophobicContact CB-CB 4.4Å; F174-L210 PolarHBondContact N-O 2.92Å; F174-L210 PolarHBondContact O-N 3.07Å; F208-L210 HydrophobicContact CD2-CD2 4.38Å; F208-L210 HydrophobicContact CE2-CD2 3.86Å; F208-L210 HydrophobicContact CE2-CG 3.99Å; L210-W230 HydrophobicContact CB-CB 3.85Å; L210-W230 HydrophobicContact CB-CD2 4.36Å; L210-W230 HydrophobicContact CB-CE3 4.12Å; L210-W230 HydrophobicContact CB-CG 4.28Å; L210-W230 HydrophobicContact CD2-CB 3.9Å; L210-W230 HydrophobicContact CG-CB 4.33Å; L210-L232 HydrophobicContact CD2-CD2 3.69Å
211L97.6Very high85.7Confident1 Ų146.8 Ų46.81%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-102.1132.6-173.3-77.966.6000110.2V77 T171 A173 N209 K213 V231 Q233V77-L211 HydrophobicContact CG2-CD2 4.39Å; T171-L211 HydrophobicContact CG2-CB 3.72Å; T171-L211 HydrophobicContact CG2-CD2 4.09Å; T171-L211 HydrophobicContact CG2-CG 3.93Å; A173-L211 HydrophobicContact CB-CD1 4.32Å; A173-L211 HydrophobicContact CB-CG 4.22Å; N209-L211 HydrophobicContact CB-CD1 3.49Å; N209-L211 VanDerWaalsContact CB-CD1 3.49Å; L211-K213 HydrophobicContact CB-CD 4.37Å; L211-K213 HydrophobicContact CB-CG 4.14Å; L211-K213 HydrophobicContact CD2-CD 4.21Å; L211-K213 VanDerWaalsContact CD2-NZ 3.26Å; L211-K213 PolarHBondContact O-N 2.91Å; L211-K213 VanDerWaalsContact O-N 3.16Å; L211-V231 HydrophobicContact CB-CB 4.31Å; L211-V231 PolarHBondContact N-O 3.34Å; L211-V231 PolarHBondContact O-N 2.9Å; L211-Q233 HydrophobicContact CD1-CB 3.52Å; L211-Q233 HydrophobicContact CD1-CG 4.31Å; L211-Q233 HydrophobicContact CD2-CB 4.1Å; L211-Q233 HydrophobicContact CD2-CG 4.29Å; L211-Q233 HydrophobicContact CG-CB 4.47Å
212S96.6Very high83.5Confident0 Ų053.2 Ų53.20%028%0.283CS..  trans-83.886168.7-175.50000110A125 R129 P172A125-S212 PolarHBondContact O-OG 3.26Å; R129-S212 WeakPolarHBondContact CB-OG 3.46Å; R129-S212 WeakPolarHBondContact CD-O 3.36Å; R129-S212 VanDerWaalsContact NH1-C 3.28Å; R129-S212 PolarHBondContact NH1-O 3.41Å; R129-S212 PolarHBondContact NH1-OG 2.82Å; P172-S212 WeakPolarHBondContact O-CB 3.48Å; P172-S212 PolarHBondContact O-N 3.44Å
213K94.1Very high81.7Confident43 Ų4352.2 Ų52.219%0.18729%0.285CS..SBendtrans-144.7165.5172.661.8-177.9168.8-166.50111.4E75 E157 T171 L211 V231E75-K213 VanDerWaalsContact CD-NZ 3.3Å; E75-K213 IonicContact OE1-NZ 3.95Å; E75-K213 PolarHBondContact OE1-NZ 3.15Å; E75-K213 IonicContact OE2-NZ 3.38Å; E75-K213 PolarHBondContact OE2-NZ 3.16Å; E157-K213 WeakPolarHBondContact OE1-CA 3.24Å; E157-K213 WeakPolarHBondContact OE1-CB 3.38Å; T171-K213 HydrophobicContact CG2-CB 4.16Å; T171-K213 HydrophobicContact CG2-CD 4.33Å; T171-K213 HydrophobicContact CG2-CG 4.41Å; L211-K213 HydrophobicContact CB-CD 4.37Å; L211-K213 HydrophobicContact CB-CG 4.14Å; L211-K213 HydrophobicContact CD2-CD 4.21Å; L211-K213 VanDerWaalsContact CD2-NZ 3.26Å; L211-K213 PolarHBondContact O-N 2.91Å; L211-K213 VanDerWaalsContact O-N 3.16Å; K213-V231 HydrophobicContact CG-CB 4.07Å; K213-V231 HydrophobicContact CG-CG2 3.85Å; K213-V231 WeakPolarHBondContact O-CG2 3.36Å
214E86.9Confident79.9Confident108 Ų10856.5 Ų56.551%0.50532%0.315SS..  trans-68.4145.8173-66.8-178.5179.500111.1S156 E157S156-E214 WeakPolarHBondContact CB-OE1 3.33Å; S156-E214 VanDerWaalsContact OG-CD 3.31Å; S156-E214 PolarHBondContact OG-OE1 2.61Å; E157-E214 PolarHBondContact OE1-N 3.47Å
215C81.3Confident78.1Confident20 Ų2055.4 Ų55.414%0.13532%0.319CS..  trans-123.8128.5173.5-164.80000109.8S217 L218 T219 V231C215-S217 PolarHBondContact O-N 3.4Å; C215-S217 VanDerWaalsContact O-N 3.17Å; C215-S217 PolarHBondContact SG-OG 2.97Å; C215-L218 HydrophobicContact CB-CD1 4.23Å; C215-L218 HydrophobicContact CB-CG 4.24Å; C215-L218 WeakPolarHBondContact O-CB 3.45Å; C215-L218 PolarHBondContact O-N 3.4Å; C215-T219 PolarHBondContact O-N 3.11Å; C215-V231 HydrophobicContact CB-CG2 3.91Å
216Y69.9Low76.6Confident143 Ų14353.7 Ų53.756%0.56130%0.299SS*.G310 helixtrans-60-25.1178-73.5-77.5000113.1L218 T219Y216-L218 PolarHBondContact O-N 3.18Å; Y216-L218 VanDerWaalsContact O-N 3.14Å; Y216-T219 HydrophobicContact CD1-CG2 4.2Å; Y216-T219 PolarHBondContact O-N 3.32Å; Y216-T219 PolarHBondContact O-OG1 2.83Å
217S65.2Low75.3Confident10 Ų1052.2 Ų52.27%0.0729%0.294CS..G310 helixtrans-63.2-18.817567.20000113.3P95 C215P95-S217 PolarHBondContact O-OG 3.23Å; C215-S217 PolarHBondContact O-N 3.4Å; C215-S217 VanDerWaalsContact O-N 3.17Å; C215-S217 PolarHBondContact SG-OG 2.97Å
218L63.4Low74.6Confident26 Ų2653 Ų5314%0.13630%0.299CS..G310 helixtrans-106.8-7.9-178.1-52.4-180000112.8L94 C215 Y216 G220 K221 E226L94-L218 HydrophobicContact CD2-CD2 3.98Å; C215-L218 HydrophobicContact CB-CD1 4.23Å; C215-L218 HydrophobicContact CB-CG 4.24Å; C215-L218 WeakPolarHBondContact O-CB 3.45Å; C215-L218 PolarHBondContact O-N 3.4Å; Y216-L218 PolarHBondContact O-N 3.18Å; Y216-L218 VanDerWaalsContact O-N 3.14Å; L218-G220 PolarHBondContact O-N 2.9Å; L218-K221 PolarHBondContact O-N 3.22Å; L218-K221 VanDerWaalsContact O-N 3.16Å; L218-E226 HydrophobicContact CD1-CB 4.49Å; L218-E226 WeakPolarHBondContact CD1-O 3.25Å; L218-E226 HydrophobicContact CD2-CB 4.3Å; L218-E226 HydrophobicContact CD2-CG 4.12Å
219T60Low74.4Confident88 Ų8853.3 Ų53.354%0.5430%0.301SS..THydrogen-bonded Turntrans-64.5124.3-179.454.70000110.6C215 Y216C215-T219 PolarHBondContact O-N 3.11Å; Y216-T219 HydrophobicContact CD1-CG2 4.2Å; Y216-T219 PolarHBondContact O-N 3.32Å; Y216-T219 PolarHBondContact O-OG1 2.83Å
220G54Low74.3Confident80 Ų8053.3 Ų53.383%0.82530%0.301SS*.THydrogen-bonded Turntrans94.1-10.3-178.500000115.2L218L218-G220 PolarHBondContact O-N 2.9Å
221K54.2Low74.2Confident130 Ų13054.1 Ų54.157%0.56531%0.306SS*.  trans-101.8112172.7-57.8-176.7-180175.90108.8L218 E226L218-K221 PolarHBondContact O-N 3.22Å; L218-K221 VanDerWaalsContact O-N 3.16Å; K221-E226 VanDerWaalsContact C-OE2 3.25Å; K221-E226 VanDerWaalsContact CB-CD 3.43Å; K221-E226 VanDerWaalsContact CB-OE1 3.22Å; K221-E226 WeakPolarHBondContact CB-OE1 3.32Å; K221-E226 WeakPolarHBondContact CB-OE2 3.37Å; K221-E226 VanDerWaalsContact CD-OE1 3.24Å; K221-E226 WeakPolarHBondContact CD-OE1 3.49Å
222Q50.9Low74.2Confident196 Ų19654.5 Ų54.592%0.91631%0.308SS*.  trans-100.732.4-170.5-65.7-173.46.600112.9
223S60.2Low74.2Confident55 Ų5555.5 Ų55.539%0.38531%0.313SS..  trans-75.1145.3171.575.60000110.1A225 E226 S227S223-A225 PolarHBondContact O-N 3.11Å; S223-E226 WeakPolarHBondContact CB-OE2 3.31Å; S223-E226 PolarHBondContact N-OE2 2.69Å; S223-E226 VanDerWaalsContact N-OE2 3.07Å; S223-E226 PolarHBondContact O-N 3.39Å; S223-E226 WeakPolarHBondContact OG-CG 3.21Å; S223-E226 PolarHBondContact OG-N 3.3Å; S223-E226 PolarHBondContact OG-OE2 3.41Å; S223-S227 PolarHBondContact O-N 2.88Å
224S60.6Low74.4Confident90 Ų9053.4 Ų53.463%0.62930%0.304SS*.Hα-helixtrans-60.3-31.7178.658.70000112.3S227 D228S224-S227 VanDerWaalsContact C-OG 3.27Å; S224-S227 WeakPolarHBondContact CA-OG 3.45Å; S224-S227 PolarHBondContact O-N 2.96Å; S224-S227 PolarHBondContact O-OG 3.44Å; S224-D228 VanDerWaalsContact O-CG 3.31Å; S224-D228 PolarHBondContact O-N 3.09Å; S224-D228 VanDerWaalsContact O-OD2 3.08Å
225A59.7Low74.9Confident48 Ų4848.4 Ų48.440%0.39728%0.281SS..Hα-helixtrans-68.4-43.6-179.900000112.4S223 S227 D228 A229S223-A225 PolarHBondContact O-N 3.11Å; A225-S227 PolarHBondContact O-N 3.34Å; A225-D228 PolarHBondContact O-N 3.12Å; A225-D228 VanDerWaalsContact O-N 3.16Å; A225-A229 PolarHBondContact O-N 3.44Å
226E66.8Low75.5Confident33 Ų3349.2 Ų49.215%0.15428%0.283CS..Hα-helixtrans-60.3-35.6176.8-71.5162.7148.400111.2L94 L218 K221 S223 D228 A229L94-E226 HydrophobicContact CD2-CB 4.4Å; L94-E226 HydrophobicContact CD2-CG 3.5Å; L218-E226 HydrophobicContact CD1-CB 4.49Å; L218-E226 WeakPolarHBondContact CD1-O 3.25Å; L218-E226 HydrophobicContact CD2-CB 4.3Å; L218-E226 HydrophobicContact CD2-CG 4.12Å; K221-E226 VanDerWaalsContact C-OE2 3.25Å; K221-E226 VanDerWaalsContact CB-CD 3.43Å; K221-E226 VanDerWaalsContact CB-OE1 3.22Å; K221-E226 WeakPolarHBondContact CB-OE1 3.32Å; K221-E226 WeakPolarHBondContact CB-OE2 3.37Å; K221-E226 VanDerWaalsContact CD-OE1 3.24Å; K221-E226 WeakPolarHBondContact CD-OE1 3.49Å; S223-E226 WeakPolarHBondContact CB-OE2 3.31Å; S223-E226 PolarHBondContact N-OE2 2.69Å; S223-E226 VanDerWaalsContact N-OE2 3.07Å; S223-E226 PolarHBondContact O-N 3.39Å; S223-E226 WeakPolarHBondContact OG-CG 3.21Å; S223-E226 PolarHBondContact OG-N 3.3Å; S223-E226 PolarHBondContact OG-OE2 3.41Å; E226-D228 VanDerWaalsContact C-N 3.28Å; E226-D228 PolarHBondContact O-N 3.18Å; E226-A229 WeakPolarHBondContact O-CB 3.5Å; E226-A229 PolarHBondContact O-N 3.14Å
227S68.4Low76.9Confident22 Ų2242.4 Ų42.415%0.15426%0.256CS..Hα-helixtrans-71.9-20.1179.355.90000116.5R126 S223 S224 A225R126-S227 VanDerWaalsContact CB-O 3.29Å; R126-S227 WeakPolarHBondContact CB-O 3.41Å; R126-S227 PolarHBondContact NH1-OG 3.07Å; S223-S227 PolarHBondContact O-N 2.88Å; S224-S227 VanDerWaalsContact C-OG 3.27Å; S224-S227 WeakPolarHBondContact CA-OG 3.45Å; S224-S227 PolarHBondContact O-N 2.96Å; S224-S227 PolarHBondContact O-OG 3.44Å; A225-S227 PolarHBondContact O-N 3.34Å
228D82.8Confident78.5Confident19 Ų1942.1 Ų42.110%0.10225%0.253CS..THydrogen-bonded Turntrans-98.60.8-177-67.7-32.1000112T118 S124 A125 S224 A225 E226T118-D228 VanDerWaalsContact CG2-OD2 3.29Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.47Å; S124-D228 WeakPolarHBondContact CB-OD1 3.45Å; S124-D228 PolarHBondContact OG-OD1 3.44Å; A125-D228 PolarHBondContact N-O 3.25Å; S224-D228 VanDerWaalsContact O-CG 3.31Å; S224-D228 PolarHBondContact O-N 3.09Å; S224-D228 VanDerWaalsContact O-OD2 3.08Å; A225-D228 PolarHBondContact O-N 3.12Å; A225-D228 VanDerWaalsContact O-N 3.16Å; E226-D228 VanDerWaalsContact C-N 3.28Å; E226-D228 PolarHBondContact O-N 3.18Å
229A93.7Very high80.1Confident7 Ų744.3 Ų44.36%0.05827%0.265CS..  trans-77.7155.3-176.400000113.3L94 C97 A98 V99 A125 A225 E226L94-A229 HydrophobicContact CD1-CB 3.52Å; C97-A229 HydrophobicContact CB-CB 3.96Å; A98-A229 WeakPolarHBondContact O-CA 3.27Å; V99-A229 HydrophobicContact CG1-CB 4.15Å; A125-A229 WeakPolarHBondContact CB-O 3.25Å; A225-A229 PolarHBondContact O-N 3.44Å; E226-A229 WeakPolarHBondContact O-CB 3.5Å; E226-A229 PolarHBondContact O-N 3.14Å
230W96Very high81.9Confident0 Ų044.2 Ų44.20%026%0.255CS..EExtended strand (participates in β ladder)trans-110.5132.5-179.2-63.877.5000109.3C97 A98 L100 L123 A125 I128 F174 L210C97-W230 CarbonylContact C-O 3.54Å; C97-W230 WeakPolarHBondContact CA-O 3.34Å; C97-W230 WeakPolarHBondContact CB-O 3.49Å; A98-W230 PolarHBondContact N-O 3.12Å; A98-W230 PolarHBondContact O-N 3.22Å; L100-W230 HydrophobicContact CD1-CD2 4.37Å; L100-W230 HydrophobicContact CD1-CZ2 4.37Å; L123-W230 HydrophobicContact CD2-CZ2 4.04Å; L123-W230 HydrophobicContact CG-CZ2 4.16Å; L123-W230 PolarHBondContact O-NE1 3.01Å; A125-W230 HydrophobicContact CB-CD2 3.78Å; A125-W230 HydrophobicContact CB-CE3 4.27Å; A125-W230 HydrophobicContact CB-CG 4.05Å; A125-W230 HydrophobicContact CB-CH2 4.49Å; A125-W230 HydrophobicContact CB-CZ2 4.03Å; I128-W230 HydrophobicContact CD1-CH2 3.83Å; I128-W230 HydrophobicContact CD1-CZ2 3.91Å; F174-W230 HydrophobicContact CD2-CE3 4.18Å; F174-W230 AromaticContact CD2-CH2 3.62Å; F174-W230 HydrophobicContact CD2-CH2 3.62Å; F174-W230 HydrophobicContact CD2-CZ2 4.02Å; F174-W230 AromaticContact CD2-CZ3 3.7Å; F174-W230 HydrophobicContact CD2-CZ3 3.7Å; F174-W230 AromaticContact CE2-CH2 3.3Å; F174-W230 HydrophobicContact CE2-CH2 3.3Å; F174-W230 AromaticContact CE2-CZ2 3.6Å; F174-W230 HydrophobicContact CE2-CZ2 3.6Å; F174-W230 AromaticContact CE2-CZ3 3.88Å; F174-W230 HydrophobicContact CE2-CZ3 3.88Å; F174-W230 HydrophobicContact CZ-CH2 4.42Å; L210-W230 HydrophobicContact CB-CB 3.85Å; L210-W230 HydrophobicContact CB-CD2 4.36Å; L210-W230 HydrophobicContact CB-CE3 4.12Å; L210-W230 HydrophobicContact CB-CG 4.28Å; L210-W230 HydrophobicContact CD2-CB 3.9Å; L210-W230 HydrophobicContact CG-CB 4.33Å
231V96.1Very high84Confident17 Ų1740.5 Ų40.510%0.10322%0.216CC..EExtended strand (participates in β ladder)trans-76.7129.6179.8178.70000109.8L211 K213 C215L211-V231 HydrophobicContact CB-CB 4.31Å; L211-V231 PolarHBondContact N-O 3.34Å; L211-V231 PolarHBondContact O-N 2.9Å; K213-V231 HydrophobicContact CG-CB 4.07Å; K213-V231 HydrophobicContact CG-CG2 3.85Å; K213-V231 WeakPolarHBondContact O-CG2 3.36Å; C215-V231 HydrophobicContact CB-CG2 3.91Å
232L97.2Very high86.1Confident9 Ų934.3 Ų34.35%0.04719%0.189CC..EExtended strand (participates in β ladder)trans-74.9135.4175.1-67.6166.8000110.4F88 G96 A98 P181 F208 L210 F234 L321F88-L232 HydrophobicContact CE2-CD2 4.07Å; F88-L232 HydrophobicContact CZ-CD2 4.27Å; G96-L232 PolarHBondContact O-N 2.92Å; A98-L232 HydrophobicContact CB-CD2 4.23Å; A98-L232 HydrophobicContact CB-CG 4.44Å; P181-L232 HydrophobicContact CB-CD1 4.37Å; P181-L232 HydrophobicContact CB-CD2 4.44Å; P181-L232 HydrophobicContact CG-CD2 4.03Å; F208-L232 HydrophobicContact CD2-CD2 3.5Å; F208-L232 HydrophobicContact CE2-CD2 3.5Å; L210-L232 HydrophobicContact CD2-CD2 3.69Å; L232-F234 HydrophobicContact CB-CE2 4.08Å; L232-F234 HydrophobicContact CB-CZ 4.46Å; L232-L321 HydrophobicContact CB-CD1 4.1Å; L232-L321 HydrophobicContact CD1-CD1 4.06Å; L232-L321 HydrophobicContact CD1-CD2 4.31Å
233Q97.7Very high88.3Confident21 Ų2127.6 Ų27.610%0.09816%0.159CC..EExtended strand (participates in β ladder)trans-139.9144.3173.8-178.8-90.419.400109.8E67 F208 N209 L211E67-Q233 PolarHBondContact OE1-NE2 3.34Å; F208-Q233 WeakPolarHBondContact CA-O 3.46Å; F208-Q233 WeakPolarHBondContact CB-O 3.21Å; N209-Q233 HydrophobicContact CB-CB 4.5Å; N209-Q233 PolarHBondContact N-O 3.39Å; N209-Q233 PolarHBondContact ND2-OE1 3.11Å; N209-Q233 PolarHBondContact O-N 3.02Å; L211-Q233 HydrophobicContact CD1-CB 3.52Å; L211-Q233 HydrophobicContact CD1-CG 4.31Å; L211-Q233 HydrophobicContact CD2-CB 4.1Å; L211-Q233 HydrophobicContact CD2-CG 4.29Å; L211-Q233 HydrophobicContact CG-CB 4.47Å
234F98.1Very high90Very high0 Ų026.7 Ų26.70%016%0.158CC..  trans-124.230.7-171.2-62.3-90.1000112.2W180 P181 A184 F208 L232 E236 A237 E238 H318 F320 L321W180-F234 AromaticContact CH2-CD1 3.45Å; W180-F234 HydrophobicContact CH2-CD1 3.45Å; W180-F234 VanDerWaalsContact CH2-CD1 3.45Å; W180-F234 AromaticContact CH2-CE1 3.67Å; W180-F234 HydrophobicContact CH2-CE1 3.67Å; W180-F234 AromaticContact CZ2-CD1 3.94Å; W180-F234 HydrophobicContact CZ2-CD1 3.94Å; W180-F234 AromaticContact CZ2-CE1 3.76Å; W180-F234 HydrophobicContact CZ2-CE1 3.76Å; W180-F234 AromaticContact CZ3-CD1 3.99Å; W180-F234 HydrophobicContact CZ3-CD1 3.99Å; W180-F234 HydrophobicContact CZ3-CE1 4.13Å; P181-F234 HydrophobicContact CG-CE1 3.88Å; P181-F234 HydrophobicContact CG-CZ 3.87Å; A184-F234 HydrophobicContact CB-CE1 4.32Å; A184-F234 HydrophobicContact CB-CZ 4.04Å; F208-F234 HydrophobicContact CB-CD1 3.75Å; F208-F234 HydrophobicContact CB-CE1 3.77Å; F208-F234 HydrophobicContact CB-CG 4.5Å; F208-F234 HydrophobicContact CG-CE1 4.44Å; L232-F234 HydrophobicContact CB-CE2 4.08Å; L232-F234 HydrophobicContact CB-CZ 4.46Å; F234-E236 PolarHBondContact O-N 3.31Å; F234-A237 HydrophobicContact CB-CB 4.3Å; F234-A237 PolarHBondContact O-N 2.78Å; F234-E238 HydrophobicContact CB-CG 4.04Å; F234-E238 WeakPolarHBondContact O-CB 3.36Å; F234-E238 WeakPolarHBondContact O-CG 3.35Å; F234-E238 PolarHBondContact O-N 3.05Å; F234-H318 AromaticContact CD2-CE1 3.84Å; F234-F320 HydrophobicContact CB-CD2 3.66Å; F234-F320 HydrophobicContact CB-CE2 3.79Å; F234-F320 AromaticContact CD1-CD2 3.97Å; F234-F320 HydrophobicContact CD1-CD2 3.97Å; F234-F320 HydrophobicContact CD1-CE2 4.4Å; F234-F320 HydrophobicContact CD1-CG 4.42Å; F234-F320 HydrophobicContact CD2-CB 4.27Å; F234-F320 AromaticContact CD2-CD2 3.94Å; F234-F320 HydrophobicContact CD2-CD2 3.94Å; F234-F320 HydrophobicContact CE2-CB 4.12Å; F234-F320 AromaticContact CG-CD2 3.59Å; F234-F320 HydrophobicContact CG-CD2 3.59Å; F234-F320 HydrophobicContact CG-CE2 4.13Å; F234-F320 HydrophobicContact CG-CG 4.34Å; F234-F320 HydrophobicContact CZ-CB 4.24Å; F234-L321 HydrophobicContact CE2-CD1 3.9Å; F234-L321 HydrophobicContact CE2-CD2 4.3Å; F234-L321 HydrophobicContact CE2-CG 3.93Å; F234-L321 HydrophobicContact CZ-CD2 4.31Å; F234-L321 HydrophobicContact CZ-CG 4.42Å
235G96.1Very high91.8Very high2 Ų224.8 Ų24.82%0.02115%0.153CC..Hα-helixtrans-54.2-48.3-165.800000113.7N239 K275G235-N239 WeakPolarHBondContact O-CB 3.42Å; G235-N239 PolarHBondContact O-N 3.05Å; G235-N239 VanDerWaalsContact O-N 3.07Å; G235-N239 PolarHBondContact O-ND2 3.47Å; G235-N239 VanDerWaalsContact O-ND2 3.09Å; G235-N239 PolarHBondContact O-OD1 2.93Å; G235-K275 PolarHBondContact O-NZ 3.42Å
236E95.7Very high93.6Very high38 Ų3822.5 Ų22.518%0.17813%0.134CC..Hα-helixtrans-66.1-49.4177.4-67.580.8178.200111.9Y79 E206 N209 F234 E238 N239 R240Y79-E236 PolarHBondContact OH-OE1 3.32Å; E206-E236 HydrophobicContact CB-CB 4.17Å; N209-E236 PolarHBondContact ND2-OE2 3.4Å; F234-E236 PolarHBondContact O-N 3.31Å; E236-E238 VanDerWaalsContact C-N 3.35Å; E236-E238 PolarHBondContact O-N 3.33Å; E236-N239 WeakPolarHBondContact O-CB 3.46Å; E236-N239 PolarHBondContact O-N 3.43Å; E236-N239 VanDerWaalsContact O-N 3.11Å; E236-R240 PolarHBondContact O-N 3.15Å
237A98Very high95.1Very high0 Ų020.9 Ų20.90%013%0.126CC..Hα-helixtrans-57.9-44.1177.600000112.2W180 V203 E206 F234 R240 L241W180-A237 HydrophobicContact CH2-CB 4.02Å; W180-A237 HydrophobicContact CZ3-CB 4.21Å; V203-A237 HydrophobicContact CG1-CB 3.91Å; E206-A237 HydrophobicContact CB-CB 4.23Å; F234-A237 HydrophobicContact CB-CB 4.3Å; F234-A237 PolarHBondContact O-N 2.78Å; A237-R240 PolarHBondContact O-N 3.28Å; A237-L241 VanDerWaalsContact O-CB 3.32Å; A237-L241 WeakPolarHBondContact O-CB 3.32Å; A237-L241 PolarHBondContact O-N 3.36Å
238E98.4Very high96.5Very high3 Ų323.5 Ų23.51%0.01414%0.138CC..Hα-helixtrans-65.3-39.2175-66.9169.1172.900112.3F234 E236 R240 L241 L242 Y272 K275 L279 F320F234-E238 HydrophobicContact CB-CG 4.04Å; F234-E238 WeakPolarHBondContact O-CB 3.36Å; F234-E238 WeakPolarHBondContact O-CG 3.35Å; F234-E238 PolarHBondContact O-N 3.05Å; E236-E238 VanDerWaalsContact C-N 3.35Å; E236-E238 PolarHBondContact O-N 3.33Å; E238-R240 VanDerWaalsContact C-N 3.35Å; E238-L241 PolarHBondContact O-N 2.95Å; E238-L242 WeakPolarHBondContact O-CG 3.4Å; E238-L242 PolarHBondContact O-N 3.2Å; E238-Y272 WeakPolarHBondContact OE1-CE2 3.5Å; E238-Y272 PolarHBondContact OE1-OH 3.21Å; E238-Y272 WeakPolarHBondContact OE2-CE2 3.44Å; E238-K275 HydrophobicContact CB-CD 4.47Å; E238-K275 VanDerWaalsContact CB-NZ 3.3Å; E238-K275 WeakPolarHBondContact OE2-CD 3.45Å; E238-K275 VanDerWaalsContact OE2-CE 3.25Å; E238-K275 WeakPolarHBondContact OE2-CE 3.34Å; E238-K275 IonicContact OE2-NZ 2.83Å; E238-K275 PolarHBondContact OE2-NZ 2.87Å; E238-L279 HydrophobicContact CB-CD1 4.46Å; E238-L279 HydrophobicContact CG-CD1 4.12Å; E238-F320 HydrophobicContact CG-CD2 4.27Å; E238-F320 HydrophobicContact CG-CE2 3.62Å
239N97.1Very high97.3Very high73 Ų7324.3 Ų24.339%0.3914%0.141SC..Hα-helixtrans-66-40.2177.8-70.4-22.9000111.1G235 E236 L241 L242 K275G235-N239 WeakPolarHBondContact O-CB 3.42Å; G235-N239 PolarHBondContact O-N 3.05Å; G235-N239 VanDerWaalsContact O-N 3.07Å; G235-N239 PolarHBondContact O-ND2 3.47Å; G235-N239 VanDerWaalsContact O-ND2 3.09Å; G235-N239 PolarHBondContact O-OD1 2.93Å; E236-N239 WeakPolarHBondContact O-CB 3.46Å; E236-N239 PolarHBondContact O-N 3.43Å; E236-N239 VanDerWaalsContact O-N 3.11Å; N239-L241 VanDerWaalsContact C-N 3.33Å; N239-L242 PolarHBondContact O-N 3.02Å; N239-K275 WeakPolarHBondContact OD1-CE 3.4Å; N239-K275 PolarHBondContact OD1-NZ 3.49Å
240R97.7Very high97.5Very high85 Ų8524 Ų2432%0.32114%0.138SC..Hα-helixtrans-61.2-42.8173.3-177.363.262.6-160.21.2111.3E202 V203 E206 E236 A237 E238 L242 M243E202-R240 HydrophobicContact CB-CG 4.08Å; V203-R240 HydrophobicContact CG2-CB 4.15Å; V203-R240 HydrophobicContact CG2-CG 3.88Å; E206-R240 HydrophobicContact CG-CB 3.92Å; E206-R240 HydrophobicContact CG-CG 4.13Å; E206-R240 IonicContact OE1-CZ 3.93Å; E206-R240 IonicContact OE1-NE 2.82Å; E206-R240 PolarHBondContact OE1-NE 2.85Å; E206-R240 IonicContact OE1-NH2 2.68Å; E206-R240 PolarHBondContact OE1-NH2 3.25Å; E236-R240 PolarHBondContact O-N 3.15Å; A237-R240 PolarHBondContact O-N 3.28Å; E238-R240 VanDerWaalsContact C-N 3.35Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 3.48Å; R240-M243 VanDerWaalsContact CD-CE 3.41Å; R240-M243 HydrophobicContact CG-CE 4.48Å; R240-M243 PolarHBondContact NH1-SD 3.05Å; R240-M243 WeakPolarHBondContact O-CG 3.27Å; R240-M243 PolarHBondContact O-N 3.25Å
241L98.3Very high97.6Very high2 Ų224.4 Ų24.41%0.0114%0.14CC..Hα-helixtrans-66.7-32.3-179.2-175.753000113W187 W194 P195 V203 A237 E238 N239 M243 L279 Y319 F320W187-L241 HydrophobicContact CH2-CD1 4.49Å; W187-L241 HydrophobicContact CH2-CD2 4.5Å; W187-L241 HydrophobicContact CZ2-CD1 3.99Å; W187-L241 HydrophobicContact CZ2-CD2 3.76Å; W194-L241 HydrophobicContact CH2-CD1 3.36Å; W194-L241 HydrophobicContact CH2-CD2 4.02Å; W194-L241 HydrophobicContact CH2-CG 3.47Å; W194-L241 VanDerWaalsContact CH2-CG 3.47Å; W194-L241 HydrophobicContact CZ2-CD1 3.67Å; W194-L241 HydrophobicContact CZ2-CG 4.09Å; W194-L241 HydrophobicContact CZ3-CD1 3.85Å; W194-L241 HydrophobicContact CZ3-CD2 4.24Å; W194-L241 HydrophobicContact CZ3-CG 4.14Å; P195-L241 HydrophobicContact CB-CD1 3.9Å; P195-L241 HydrophobicContact CG-CD1 3.57Å; V203-L241 HydrophobicContact CG2-CB 3.75Å; V203-L241 HydrophobicContact CG2-CD1 4.14Å; V203-L241 HydrophobicContact CG2-CG 4.46Å; A237-L241 VanDerWaalsContact O-CB 3.32Å; A237-L241 WeakPolarHBondContact O-CB 3.32Å; A237-L241 PolarHBondContact O-N 3.36Å; E238-L241 PolarHBondContact O-N 2.95Å; N239-L241 VanDerWaalsContact C-N 3.33Å; L241-M243 VanDerWaalsContact C-N 3.32Å; L241-M243 PolarHBondContact O-N 3.4Å; L241-L279 HydrophobicContact CB-CD2 4.24Å; L241-L279 HydrophobicContact CD2-CD2 3.56Å; L241-L279 HydrophobicContact CG-CD2 3.74Å; L241-Y319 HydrophobicContact CD2-CD1 4.36Å; L241-Y319 HydrophobicContact CD2-CE1 3.53Å; L241-F320 HydrophobicContact CD2-CE1 4.27Å; L241-F320 HydrophobicContact CD2-CZ 3.85Å
242L98.2Very high97.7Very high0 Ų024.4 Ų24.40%014%0.141CC..THydrogen-bonded Turntrans-857.4-179.7-70.3176.4000115E238 N239 R240 R247 L251 K275 L278 L279E238-L242 WeakPolarHBondContact O-CG 3.4Å; E238-L242 PolarHBondContact O-N 3.2Å; N239-L242 PolarHBondContact O-N 3.02Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 3.48Å; L242-R247 WeakPolarHBondContact O-CB 3.28Å; L242-L251 HydrophobicContact CD1-CD2 4.12Å; L242-K275 HydrophobicContact CD1-CD 4.5Å; L242-K275 HydrophobicContact CD1-CG 3.76Å; L242-L278 HydrophobicContact CD1-CD2 4.06Å; L242-L278 HydrophobicContact CD2-CD2 3.66Å; L242-L278 HydrophobicContact CD2-CG 3.67Å; L242-L278 HydrophobicContact CG-CD2 4.45Å; L242-L279 HydrophobicContact CD1-CD2 4.43Å; L242-L279 HydrophobicContact CD2-CD2 3.56Å; L242-L279 HydrophobicContact CD2-CG 4.03Å; L242-L279 HydrophobicContact CG-CD2 3.76Å; L242-L279 HydrophobicContact CG-CG 4.34Å
243M97.1Very high97.8Very high55 Ų5524 Ų2427%0.27114%0.139SC..  trans-72146176.7-63.9-168.8-43.900112.1R240 L241 R247R240-M243 VanDerWaalsContact CD-CE 3.41Å; R240-M243 HydrophobicContact CG-CE 4.48Å; R240-M243 PolarHBondContact NH1-SD 3.05Å; R240-M243 WeakPolarHBondContact O-CG 3.27Å; R240-M243 PolarHBondContact O-N 3.25Å; L241-M243 VanDerWaalsContact C-N 3.32Å; L241-M243 PolarHBondContact O-N 3.4Å; M243-R247 PolarHBondContact O-NH1 3.07Å
244G96.3Very high97.9Very high36 Ų3623 Ų2337%0.37114%0.135SC..SBendtrans98.1147.917700000113.8R247G244-R247 VanDerWaalsContact C-NH1 3.33Å; G244-R247 WeakPolarHBondContact O-CD 3.36Å; G244-R247 WeakPolarHBondContact O-CG 3.41Å; G244-R247 PolarHBondContact O-NH1 3.5Å
245G97.7Very high97.9Very high50 Ų5025.3 Ų25.352%0.51514%0.144SC..THydrogen-bonded Turntrans58.3-155.4-178.900000114R247 W291G245-R247 VanDerWaalsContact C-N 3.26Å; G245-R247 PolarHBondContact O-N 3.38Å; G245-W291 CarbonylContact C-O 3.59Å; G245-W291 WeakPolarHBondContact CA-O 3.49Å
246C98.2Very high98Very high0 Ų025.3 Ų25.30%014%0.144CC..THydrogen-bonded Turntrans-84.511179.574.20000113.5N248 K249 C250 W291 L296C246-N248 PolarHBondContact O-N 3.41Å; C246-K249 HydrophobicContact CB-CB 4.49Å; C246-K249 WeakPolarHBondContact O-CB 3.41Å; C246-K249 PolarHBondContact O-N 3.15Å; C246-K249 VanDerWaalsContact O-N 3.13Å; C246-C250 WeakPolarHBondContact O-CB 3.3Å; C246-C250 PolarHBondContact O-N 3.05Å; C246-W291 PolarHBondContact N-O 3.11Å; C246-W291 PolarHBondContact SG-O 3.04Å; C246-L296 HydrophobicContact CB-CB 4.47Å; C246-L296 HydrophobicContact CB-CD1 4.25Å
247R98.7Very high98.1Very high0 Ų023.6 Ų23.60%014%0.136CC..Hα-helixtrans-53.3-54.6-175-69.7176.3-176.1104.5-9.1112.6L242 M243 G244 G245 K249 C250 L251 L278 C282 E288 W291L242-R247 WeakPolarHBondContact O-CB 3.28Å; M243-R247 PolarHBondContact O-NH1 3.07Å; G244-R247 VanDerWaalsContact C-NH1 3.33Å; G244-R247 WeakPolarHBondContact O-CD 3.36Å; G244-R247 WeakPolarHBondContact O-CG 3.41Å; G244-R247 PolarHBondContact O-NH1 3.5Å; G245-R247 VanDerWaalsContact C-N 3.26Å; G245-R247 PolarHBondContact O-N 3.38Å; R247-K249 VanDerWaalsContact C-N 3.32Å; R247-K249 PolarHBondContact O-N 2.98Å; R247-C250 WeakPolarHBondContact O-CB 3.45Å; R247-C250 PolarHBondContact O-N 2.74Å; R247-L251 PolarHBondContact O-N 3.03Å; R247-L278 HydrophobicContact CB-CD2 4.48Å; R247-L278 WeakPolarHBondContact O-CD2 3.41Å; R247-C282 PolarHBondContact NE-SG 3.29Å; R247-E288 IonicContact CZ-OE1 3.55Å; R247-E288 IonicContact CZ-OE2 3.65Å; R247-E288 IonicContact NH1-OE1 3.42Å; R247-E288 PolarHBondContact NH1-OE1 3.39Å; R247-E288 IonicContact NH1-OE2 2.82Å; R247-E288 PolarHBondContact NH1-OE2 2.92Å; R247-E288 IonicContact NH2-OE1 2.79Å; R247-E288 PolarHBondContact NH2-OE1 2.92Å; R247-E288 IonicContact NH2-OE2 3.52Å; R247-W291 HydrophobicContact CB-CE3 4.24Å; R247-W291 HydrophobicContact CG-CB 4.37Å; R247-W291 HydrophobicContact CG-CD2 3.51Å; R247-W291 HydrophobicContact CG-CE3 3.29Å; R247-W291 HydrophobicContact CG-CG 3.97Å; R247-W291 HydrophobicContact CG-CZ3 3.86Å; R247-W291 VanDerWaalsContact CZ-CD1 3.5Å
248N98Very high98.1Very high76 Ų7623.8 Ų23.841%0.40614%0.137SC..Hα-helixtrans-67.2-30.3178.8-81.5-44.1000113.6C246 S252C246-N248 PolarHBondContact O-N 3.41Å; N248-S252 WeakPolarHBondContact O-CB 3.41Å; N248-S252 PolarHBondContact O-N 3.5Å; N248-S252 PolarHBondContact O-OG 2.87Å
249K98.4Very high98.1Very high36 Ų3625 Ų2516%0.15714%0.144CC..Hα-helixtrans-66.5-48.2173.1-174.2-177.1-70.7178.30110.1N13 Y16 C246 R247 L251 S252 V253 E293 L296N13-K249 PolarHBondContact OD1-NZ 3.42Å; Y16-K249 HydrophobicContact CD1-CD 4.35Å; Y16-K249 HydrophobicContact CD1-CG 4.15Å; Y16-K249 HydrophobicContact CD2-CB 4.5Å; Y16-K249 HydrophobicContact CD2-CG 3.54Å; Y16-K249 HydrophobicContact CE1-CG 4.28Å; Y16-K249 HydrophobicContact CE2-CB 4.25Å; Y16-K249 HydrophobicContact CE2-CG 3.7Å; Y16-K249 HydrophobicContact CG-CD 4.27Å; Y16-K249 HydrophobicContact CG-CG 3.78Å; C246-K249 HydrophobicContact CB-CB 4.49Å; C246-K249 WeakPolarHBondContact O-CB 3.41Å; C246-K249 PolarHBondContact O-N 3.15Å; C246-K249 VanDerWaalsContact O-N 3.13Å; R247-K249 VanDerWaalsContact C-N 3.32Å; R247-K249 PolarHBondContact O-N 2.98Å; K249-L251 PolarHBondContact O-N 3.49Å; K249-S252 WeakPolarHBondContact O-CB 3.3Å; K249-S252 PolarHBondContact O-N 3.38Å; K249-S252 VanDerWaalsContact O-N 3.11Å; K249-V253 WeakPolarHBondContact O-CG2 3.46Å; K249-V253 PolarHBondContact O-N 3.32Å; K249-E293 IonicContact NZ-OE1 2.99Å; K249-E293 PolarHBondContact NZ-OE1 2.87Å; K249-E293 IonicContact NZ-OE2 2.67Å; K249-E293 PolarHBondContact NZ-OE2 3.23Å; K249-L296 HydrophobicContact CD-CD2 3.77Å; K249-L296 HydrophobicContact CG-CD2 4.36Å
250C98.7Very high98.1Very high0 Ų027.3 Ų27.30%015%0.147CC..Hα-helixtrans-57.4-46.9174.9-166.50000111.4C246 R247 S252 V253 L254 L296C246-C250 WeakPolarHBondContact O-CB 3.3Å; C246-C250 PolarHBondContact O-N 3.05Å; R247-C250 WeakPolarHBondContact O-CB 3.45Å; R247-C250 PolarHBondContact O-N 2.74Å; C250-S252 VanDerWaalsContact C-N 3.3Å; C250-S252 PolarHBondContact O-N 2.89Å; C250-V253 PolarHBondContact O-N 3.24Å; C250-V253 VanDerWaalsContact O-N 3.16Å; C250-L254 WeakPolarHBondContact O-CG 3.48Å; C250-L254 PolarHBondContact O-N 3.13Å; C250-L296 HydrophobicContact CB-CD1 3.82Å
251L98.7Very high98.1Very high9 Ų925.8 Ų25.85%0.04714%0.143CC..Hα-helixtrans-58-42.4174.7-170.353.9000112.4L242 R247 K249 V253 L254 K255 M274 K275 L278L242-L251 HydrophobicContact CD1-CD2 4.12Å; R247-L251 PolarHBondContact O-N 3.03Å; K249-L251 PolarHBondContact O-N 3.49Å; L251-V253 VanDerWaalsContact C-N 3.33Å; L251-V253 PolarHBondContact O-N 3.38Å; L251-L254 PolarHBondContact O-N 3.31Å; L251-K255 HydrophobicContact CD1-CD 4.48Å; L251-K255 HydrophobicContact CD1-CG 4.28Å; L251-K255 HydrophobicContact CG-CD 4.23Å; L251-K255 HydrophobicContact CG-CG 4.42Å; L251-K255 VanDerWaalsContact O-CG 3.28Å; L251-K255 WeakPolarHBondContact O-CG 3.33Å; L251-K255 PolarHBondContact O-N 3.48Å; L251-M274 HydrophobicContact CD1-CB 4.05Å; L251-K275 HydrophobicContact CD1-CB 4.15Å; L251-K275 HydrophobicContact CD2-CB 4.46Å; L251-K275 HydrophobicContact CD2-CG 4.07Å; L251-L278 HydrophobicContact CB-CD2 3.67Å; L251-L278 HydrophobicContact CD1-CD2 4.27Å; L251-L278 HydrophobicContact CD2-CD2 4.35Å; L251-L278 HydrophobicContact CG-CD2 4.29Å
252S98.5Very high98.1Very high17 Ų1725.8 Ų25.812%0.11914%0.143CC..Hα-helixtrans-63.2-40.1178.8-600000111.7K24 N248 K249 C250 T256K24-S252 WeakPolarHBondContact CE-OG 3.48Å; K24-S252 PolarHBondContact NZ-OG 3.05Å; N248-S252 WeakPolarHBondContact O-CB 3.41Å; N248-S252 PolarHBondContact O-N 3.5Å; N248-S252 PolarHBondContact O-OG 2.87Å; K249-S252 WeakPolarHBondContact O-CB 3.3Å; K249-S252 PolarHBondContact O-N 3.38Å; K249-S252 VanDerWaalsContact O-N 3.11Å; C250-S252 VanDerWaalsContact C-N 3.3Å; C250-S252 PolarHBondContact O-N 2.89Å; S252-T256 WeakPolarHBondContact O-CB 3.43Å; S252-T256 PolarHBondContact O-N 2.77Å; S252-T256 PolarHBondContact O-OG1 3.09Å
253V98.7Very high98Very high0 Ų029.8 Ų29.80%016%0.162CC..Hα-helixtrans-63.7-49.5174.71750000110.4L12 Y15 Y16 K249 C250 L251 K255 T256 L257 L300L12-V253 HydrophobicContact CD2-CG1 4.1Å; Y15-V253 HydrophobicContact CD1-CG1 4.19Å; Y15-V253 HydrophobicContact CE1-CG1 4.39Å; Y16-V253 HydrophobicContact CD2-CG2 4.32Å; K249-V253 WeakPolarHBondContact O-CG2 3.46Å; K249-V253 PolarHBondContact O-N 3.32Å; C250-V253 PolarHBondContact O-N 3.24Å; C250-V253 VanDerWaalsContact O-N 3.16Å; L251-V253 VanDerWaalsContact C-N 3.33Å; L251-V253 PolarHBondContact O-N 3.38Å; V253-K255 PolarHBondContact O-N 2.79Å; V253-T256 PolarHBondContact O-N 2.89Å; V253-T256 VanDerWaalsContact O-N 3.13Å; V253-L257 HydrophobicContact CG1-CD1 3.85Å; V253-L257 HydrophobicContact CG1-CG 4.26Å; V253-L257 WeakPolarHBondContact O-CG 3.41Å; V253-L257 PolarHBondContact O-N 2.95Å; V253-L300 HydrophobicContact CB-CD1 4.36Å; V253-L300 HydrophobicContact CG1-CD1 3.92Å; V253-L300 HydrophobicContact CG1-CD2 3.92Å
254L98.7Very high98Very high1 Ų128.4 Ų28.41%0.00516%0.156CC..Hα-helixtrans-57.1-46.9178.5-71.7163.9000112.6C250 L251 T256 L257 R258 M274 L300 I303 L304C250-L254 WeakPolarHBondContact O-CG 3.48Å; C250-L254 PolarHBondContact O-N 3.13Å; L251-L254 PolarHBondContact O-N 3.31Å; L254-T256 VanDerWaalsContact C-N 3.32Å; L254-T256 PolarHBondContact O-N 3.48Å; L254-L257 PolarHBondContact O-N 3.17Å; L254-R258 WeakPolarHBondContact O-CB 3.49Å; L254-R258 PolarHBondContact O-N 2.83Å; L254-M274 HydrophobicContact CB-CB 3.96Å; L254-M274 HydrophobicContact CB-CG 4.1Å; L254-M274 HydrophobicContact CB-SD 4.28Å; L254-M274 HydrophobicContact CD2-SD 4.4Å; L254-L300 HydrophobicContact CD2-CD1 3.53Å; L254-L300 HydrophobicContact CG-CD1 3.63Å; L254-I303 HydrophobicContact CD1-CB 4.29Å; L254-I303 HydrophobicContact CD1-CD1 3.86Å; L254-I303 HydrophobicContact CD1-CG2 3.62Å; L254-I303 HydrophobicContact CD2-CB 4.48Å; L254-I303 HydrophobicContact CD2-CG2 3.85Å; L254-I303 HydrophobicContact CG-CG2 4.41Å; L254-L304 HydrophobicContact CD2-CD2 3.94Å; L254-L304 HydrophobicContact CD2-CG 4.3Å
255K98.6Very high97.9Very high48 Ų4832.1 Ų32.121%0.20917%0.173CC..Hα-helixtrans-62.6-39.6177-67.8-176.4176.1-176.80111.7L251 V253 R258 D259 N271L251-K255 HydrophobicContact CD1-CD 4.48Å; L251-K255 HydrophobicContact CD1-CG 4.28Å; L251-K255 HydrophobicContact CG-CD 4.23Å; L251-K255 HydrophobicContact CG-CG 4.42Å; L251-K255 VanDerWaalsContact O-CG 3.28Å; L251-K255 WeakPolarHBondContact O-CG 3.33Å; L251-K255 PolarHBondContact O-N 3.48Å; V253-K255 PolarHBondContact O-N 2.79Å; K255-R258 PolarHBondContact O-N 3.33Å; K255-D259 PolarHBondContact O-N 3.23Å; K255-N271 WeakPolarHBondContact CB-OD1 3.36Å; K255-N271 HydrophobicContact CD-CB 4.22Å; K255-N271 HydrophobicContact CG-CB 4.17Å; K255-N271 VanDerWaalsContact CG-OD1 3.28Å; K255-N271 WeakPolarHBondContact CG-OD1 3.34Å
256T98.6Very high97.6Very high3 Ų331.9 Ų31.92%0.01817%0.171CC..Hα-helixtrans-68.4-42.7178.5-54.50000111.7Y15 R19 C20 R23 S252 V253 L254 R258 D259 R260Y15-T256 HydrophobicContact CE1-CG2 3.8Å; R19-T256 HydrophobicContact CB-CG2 4.08Å; C20-T256 PolarHBondContact SG-OG1 2.99Å; R23-T256 WeakPolarHBondContact CD-OG1 3.2Å; S252-T256 WeakPolarHBondContact O-CB 3.43Å; S252-T256 PolarHBondContact O-N 2.77Å; S252-T256 PolarHBondContact O-OG1 3.09Å; V253-T256 PolarHBondContact O-N 2.89Å; V253-T256 VanDerWaalsContact O-N 3.13Å; L254-T256 VanDerWaalsContact C-N 3.32Å; L254-T256 PolarHBondContact O-N 3.48Å; T256-R258 VanDerWaalsContact C-N 3.32Å; T256-R258 PolarHBondContact O-N 3.15Å; T256-D259 PolarHBondContact O-N 3.49Å; T256-R260 VanDerWaalsContact O-CG 3.29Å; T256-R260 WeakPolarHBondContact O-CG 3.41Å; T256-R260 PolarHBondContact O-N 3.3Å
257L98.3Very high97.4Very high2 Ų236.8 Ų36.81%0.0119%0.194CC..Hα-helixtrans-62.2-40.3174.1-72.6173000111.5Y15 V253 L254 R260 H261 L345 I349 L356Y15-L257 HydrophobicContact CE1-CD2 4.25Å; Y15-L257 HydrophobicContact CE1-CG 4.33Å; Y15-L257 HydrophobicContact CE2-CD2 4.49Å; V253-L257 HydrophobicContact CG1-CD1 3.85Å; V253-L257 HydrophobicContact CG1-CG 4.26Å; V253-L257 WeakPolarHBondContact O-CG 3.41Å; V253-L257 PolarHBondContact O-N 2.95Å; L254-L257 PolarHBondContact O-N 3.17Å; L257-R260 PolarHBondContact O-N 2.6Å; L257-H261 WeakPolarHBondContact O-CB 3.33Å; L257-H261 PolarHBondContact O-CD2 3.06Å; L257-H261 PolarHBondContact O-N 3.47Å; L257-L345 HydrophobicContact CB-CD2 4.22Å; L257-L345 HydrophobicContact CD2-CD1 4.39Å; L257-L345 HydrophobicContact CD2-CD2 4.33Å; L257-I349 HydrophobicContact CD1-CD1 3.9Å; L257-I349 HydrophobicContact CD2-CD1 4.17Å; L257-L356 HydrophobicContact CD2-CD2 4.49Å
258R98.4Very high97.4Very high4 Ų436.8 Ų36.82%0.01519%0.194CC..Hα-helixtrans-58.3-55.3175.5-172.5-14864161.3-12.2111.2I69 L254 K255 T256 R260 H261 L262 E263 N270 N271 M274I69-R258 VanDerWaalsContact O-CZ 3.28Å; I69-R258 PolarHBondContact O-NH1 3.1Å; I69-R258 PolarHBondContact O-NH2 3.49Å; L254-R258 WeakPolarHBondContact O-CB 3.49Å; L254-R258 PolarHBondContact O-N 2.83Å; K255-R258 PolarHBondContact O-N 3.33Å; T256-R258 VanDerWaalsContact C-N 3.32Å; T256-R258 PolarHBondContact O-N 3.15Å; R258-R260 PolarHBondContact O-N 3.11Å; R258-R260 VanDerWaalsContact O-N 3.15Å; R258-H261 PolarHBondContact O-N 2.96Å; R258-L262 HydrophobicContact CG-CB 4.17Å; R258-L262 CarbonylContact O-C 3.57Å; R258-L262 WeakPolarHBondContact O-CA 3.38Å; R258-L262 PolarHBondContact O-N 3.21Å; R258-E263 PolarHBondContact O-N 3.25Å; R258-N270 VanDerWaalsContact CD-C 3.49Å; R258-N270 VanDerWaalsContact NH1-CA 3.33Å; R258-N271 PolarHBondContact NE-OD1 2.96Å; R258-N271 VanDerWaalsContact NH2-CG 3.25Å; R258-N271 PolarHBondContact NH2-ND2 2.7Å; R258-N271 PolarHBondContact NH2-OD1 3.26Å; R258-M274 HydrophobicContact CB-CE 3.89Å; R258-M274 HydrophobicContact CG-CE 3.9Å
259D97.4Very high97.4Very high28 Ų2833.3 Ų33.315%0.1518%0.175CC..Hα-helixtrans-58.7-31.5-175.7-65.57.2000112.4R23 P71 K255 T256R23-D259 IonicContact CZ-OD2 3.11Å; R23-D259 IonicContact NE-OD2 3.42Å; R23-D259 PolarHBondContact NE-OD2 3.05Å; R23-D259 IonicContact NH2-OD1 3.98Å; R23-D259 IonicContact NH2-OD2 3.04Å; R23-D259 PolarHBondContact NH2-OD2 3.34Å; P71-D259 WeakPolarHBondContact CD-OD2 3.45Å; P71-D259 HydrophobicContact CG-CB 4.25Å; P71-D259 VanDerWaalsContact CG-OD2 3.28Å; P71-D259 WeakPolarHBondContact CG-OD2 3.43Å; K255-D259 PolarHBondContact O-N 3.23Å; T256-D259 PolarHBondContact O-N 3.49Å
260R97.4Very high97.3Very high121 Ų12133.8 Ų33.846%0.45718%0.179SC..Hα-helixtrans-92.7-27.2-174.5-65.4176.564.972.312.1113.8T256 L257 R258 L359T256-R260 VanDerWaalsContact O-CG 3.29Å; T256-R260 WeakPolarHBondContact O-CG 3.41Å; T256-R260 PolarHBondContact O-N 3.3Å; L257-R260 PolarHBondContact O-N 2.6Å; R258-R260 PolarHBondContact O-N 3.11Å; R258-R260 VanDerWaalsContact O-N 3.15Å; R260-L359 VanDerWaalsContact NE-C 3.3Å; R260-L359 PolarHBondContact NE-O 3.14Å; R260-L359 PolarHBondContact NE-OXT 2.99Å; R260-L359 PolarHBondContact NH2-O 3.1Å; R260-L359 PolarHBondContact NH2-OXT 2.71Å
261H97.6Very high97.3Very high53 Ų5334.1 Ų34.125%0.24518%0.181CC..Hα-helixtrans-135.9-16.8-168.1-51.9-62.8000115.4L257 R258 L345 L359L257-H261 WeakPolarHBondContact O-CB 3.33Å; L257-H261 PolarHBondContact O-CD2 3.06Å; L257-H261 PolarHBondContact O-N 3.47Å; R258-H261 PolarHBondContact O-N 2.96Å; H261-L345 HydrophobicContact CB-CD1 4.46Å; H261-L345 HydrophobicContact CB-CD2 4.03Å; H261-L359 PolarHBondContact CE1-OXT 3.28Å; H261-L359 WeakPolarHBondContact NE2-CB 3.33Å; H261-L359 PolarHBondContact NE2-OXT 3.42Å
262L97.9Very high97.2Very high2 Ų236.5 Ų36.51%0.0119%0.19CC..  trans-122.715.2-174.8-50.9175.4000113R258 L264 L269 M274 L307 Q341 L345R258-L262 HydrophobicContact CG-CB 4.17Å; R258-L262 CarbonylContact O-C 3.57Å; R258-L262 WeakPolarHBondContact O-CA 3.38Å; R258-L262 PolarHBondContact O-N 3.21Å; L262-L264 PolarHBondContact O-N 3.3Å; L262-L264 VanDerWaalsContact O-N 3.15Å; L262-L269 HydrophobicContact CB-CD1 4.04Å; L262-L269 HydrophobicContact CD1-CD1 4Å; L262-L269 HydrophobicContact CG-CD1 4.48Å; L262-M274 HydrophobicContact CD1-CE 4.11Å; L262-L307 HydrophobicContact CD1-CD2 4.49Å; L262-Q341 HydrophobicContact CD2-CB 4.11Å; L262-L345 HydrophobicContact CD1-CD2 4.41Å; L262-L345 HydrophobicContact CD2-CD2 4.43Å; L262-L345 HydrophobicContact CG-CD2 4.35Å
263E95.6Very high97.2Very high84 Ų8435.8 Ų35.839%0.39319%0.185SC..  trans-76.990.9163.9-161.863.5-132.300108.2R258R258-E263 PolarHBondContact O-N 3.25Å
264L96.8Very high97.2Very high27 Ų2735.9 Ų35.914%0.14119%0.185CC..  trans-114.1155.2-168.2-61.1174.2000112L262 G266 Q267 P268 A338 Q341L262-L264 PolarHBondContact O-N 3.3Å; L262-L264 VanDerWaalsContact O-N 3.15Å; L264-G266 PolarHBondContact O-N 3.42Å; L264-Q267 PolarHBondContact O-N 3.46Å; L264-P268 HydrophobicContact CB-CG 4.03Å; L264-P268 HydrophobicContact CD1-CG 4.39Å; L264-A338 VanDerWaalsContact CD1-CA 3.47Å; L264-A338 HydrophobicContact CD1-CB 3.76Å; L264-Q341 HydrophobicContact CD1-CB 4.24Å; L264-Q341 HydrophobicContact CD1-CG 4.32Å; L264-Q341 HydrophobicContact CD2-CG 4.21Å
265P95.1Very high97.2Very high113 Ų11336.6 Ų36.673%0.73419%0.188SC*.THydrogen-bonded Turntrans-52.1134.1173.3-26.935.2000112.4Q267P265-Q267 VanDerWaalsContact C-N 3.32Å
266G92.2Very high97.2Very high46 Ų4634.3 Ų34.347%0.47418%0.179SC..THydrogen-bonded Turntrans83.51.2-174.500000114.8L264L264-G266 PolarHBondContact O-N 3.42Å
267Q94.4Very high97.3Very high102 Ų10234.3 Ų34.348%0.47718%0.178SC..  trans44.554.7179.1-63174.8-12.800112.6L264 P265 L269 K330L264-Q267 PolarHBondContact O-N 3.46Å; P265-Q267 VanDerWaalsContact C-N 3.32Å; Q267-L269 PolarHBondContact O-N 3.42Å; Q267-K330 WeakPolarHBondContact O-CE 3.44Å; Q267-K330 PolarHBondContact O-NZ 3.5Å
268P97.2Very high97.3Very high0 Ų034.2 Ų34.20%018%0.178CC..  trans-67.4-24.4-177.728.3-34.9000112L264 H273 A334 L335 A338L264-P268 HydrophobicContact CB-CG 4.03Å; L264-P268 HydrophobicContact CD1-CG 4.39Å; P268-H273 PolarHBondContact O-CE1 3.05Å; P268-H273 VanDerWaalsContact O-CE1 3.22Å; P268-A334 HydrophobicContact CB-CB 4.12Å; P268-A334 HydrophobicContact CG-CB 4.31Å; P268-L335 HydrophobicContact CB-CD2 3.96Å; P268-A338 HydrophobicContact CB-CB 4.06Å; P268-A338 HydrophobicContact CG-CB 3.73Å
269L98.1Very high97.3Very high3 Ų334 Ų342%0.01618%0.177CC..  trans-123.7137-175.6-65.3179.5000112.3L262 Q267 H273 M274 L307 L311 F327 A338L262-L269 HydrophobicContact CB-CD1 4.04Å; L262-L269 HydrophobicContact CD1-CD1 4Å; L262-L269 HydrophobicContact CG-CD1 4.48Å; Q267-L269 PolarHBondContact O-N 3.42Å; L269-H273 WeakPolarHBondContact CA-ND1 3.35Å; L269-M274 HydrophobicContact CD1-CE 4.49Å; L269-L307 HydrophobicContact CD1-CD2 4.18Å; L269-L307 HydrophobicContact CD2-CD1 3.7Å; L269-L311 HydrophobicContact CD1-CD1 4.25Å; L269-L311 HydrophobicContact CD2-CD1 4.32Å; L269-L311 HydrophobicContact CD2-CD2 3.93Å; L269-L311 HydrophobicContact CD2-CG 4.45Å; L269-F327 HydrophobicContact CD2-CE1 4.05Å; L269-F327 HydrophobicContact CD2-CZ 4.2Å; L269-A338 HydrophobicContact CD1-CB 4.08Å; L269-A338 HydrophobicContact CG-CB 4.24Å
270N96.8Very high97.4Very high46 Ų4634.9 Ų34.925%0.24618%0.179CC..  trans-133.1172.7172.165.140.9000111.2R258 Y272 H273R258-N270 VanDerWaalsContact CD-C 3.49Å; R258-N270 VanDerWaalsContact NH1-CA 3.33Å; N270-Y272 PolarHBondContact O-N 3.06Å; N270-Y272 WeakPolarHBondContact OD1-CA 3.44Å; N270-Y272 VanDerWaalsContact OD1-CB 3.25Å; N270-Y272 WeakPolarHBondContact OD1-CB 3.28Å; N270-Y272 PolarHBondContact OD1-N 3.15Å; N270-H273 PolarHBondContact N-ND1 3.07Å; N270-H273 VanDerWaalsContact N-ND1 3.12Å; N270-H273 PolarHBondContact O-N 2.73Å; N270-H273 PolarHBondContact OD1-N 3.18Å
271N97.8Very high97.4Very high8 Ų829.3 Ų29.34%0.04316%0.158CC..Hα-helixtrans-61.9-24.6178.9-81.8-19.2000113.6R23 V68 I69 K255 R258 M274 K275R23-N271 PolarHBondContact NH2-ND2 3.33Å; V68-N271 PolarHBondContact O-ND2 3.42Å; I69-N271 PolarHBondContact O-ND2 2.77Å; I69-N271 VanDerWaalsContact O-ND2 3.15Å; K255-N271 WeakPolarHBondContact CB-OD1 3.36Å; K255-N271 HydrophobicContact CD-CB 4.22Å; K255-N271 HydrophobicContact CG-CB 4.17Å; K255-N271 VanDerWaalsContact CG-OD1 3.28Å; K255-N271 WeakPolarHBondContact CG-OD1 3.34Å; R258-N271 PolarHBondContact NE-OD1 2.96Å; R258-N271 VanDerWaalsContact NH2-CG 3.25Å; R258-N271 PolarHBondContact NH2-ND2 2.7Å; R258-N271 PolarHBondContact NH2-OD1 3.26Å; N271-M274 PolarHBondContact O-N 3.39Å; N271-K275 PolarHBondContact O-N 3.35Å; N271-K275 VanDerWaalsContact O-N 3.15Å
272Y98.1Very high97.5Very high59 Ų5926.8 Ų26.823%0.23115%0.146CC..Hα-helixtrans-74.6-33.6179.9-168.8-107.7000111.9E238 N270 M274 K275 T276 H318 L326E238-Y272 WeakPolarHBondContact OE1-CE2 3.5Å; E238-Y272 PolarHBondContact OE1-OH 3.21Å; E238-Y272 WeakPolarHBondContact OE2-CE2 3.44Å; N270-Y272 PolarHBondContact O-N 3.06Å; N270-Y272 WeakPolarHBondContact OD1-CA 3.44Å; N270-Y272 VanDerWaalsContact OD1-CB 3.25Å; N270-Y272 WeakPolarHBondContact OD1-CB 3.28Å; N270-Y272 PolarHBondContact OD1-N 3.15Å; Y272-M274 VanDerWaalsContact C-N 3.31Å; Y272-M274 PolarHBondContact O-N 2.97Å; Y272-K275 PolarHBondContact O-N 3.38Å; Y272-T276 WeakPolarHBondContact O-CB 3.42Å; Y272-T276 PolarHBondContact O-N 2.96Å; Y272-T276 PolarHBondContact O-OG1 2.94Å; Y272-H318 AromaticContact CE1-CD2 3.87Å; Y272-H318 AromaticContact CZ-NE2 3.92Å; Y272-H318 PolarHBondContact OH-CD2 2.87Å; Y272-H318 PolarHBondContact OH-CE1 2.93Å; Y272-H318 PolarHBondContact OH-NE2 3.05Å; Y272-L326 HydrophobicContact CD1-CD1 3.97Å; Y272-L326 HydrophobicContact CD1-CD2 4.11Å; Y272-L326 HydrophobicContact CE1-CD1 3.98Å; Y272-L326 HydrophobicContact CE1-CD2 3.88Å
273H98.5Very high97.5Very high2 Ų228.4 Ų28.41%0.00915%0.153CC..Hα-helixtrans-58.6-43.8168.5-56.3148.2000111.3P268 L269 N270 K275 T276 L277 L326 F327P268-H273 PolarHBondContact O-CE1 3.05Å; P268-H273 VanDerWaalsContact O-CE1 3.22Å; L269-H273 WeakPolarHBondContact CA-ND1 3.35Å; N270-H273 PolarHBondContact N-ND1 3.07Å; N270-H273 VanDerWaalsContact N-ND1 3.12Å; N270-H273 PolarHBondContact O-N 2.73Å; N270-H273 PolarHBondContact OD1-N 3.18Å; H273-K275 VanDerWaalsContact C-N 3.33Å; H273-K275 PolarHBondContact O-N 3.47Å; H273-T276 PolarHBondContact O-N 2.83Å; H273-L277 WeakPolarHBondContact O-CG 3.36Å; H273-L277 PolarHBondContact O-N 3.4Å; H273-L326 PolarHBondContact NE2-O 2.69Å; H273-F327 AromaticContact CE1-CD1 3.92Å; H273-F327 AromaticContact CE1-CE1 3.67Å; H273-F327 AromaticContact ND1-CE1 3.79Å; H273-F327 AromaticContact NE2-CD1 3.96Å; H273-F327 AromaticContact NE2-CE1 3.93Å
274M98.7Very high97.6Very high1 Ų129.1 Ų29.11%0.00516%0.155CC..Hα-helixtrans-62.7-40.9178.1-54.4-53170.200112L251 L254 R258 L262 L269 N271 Y272 L278 L307L251-M274 HydrophobicContact CD1-CB 4.05Å; L254-M274 HydrophobicContact CB-CB 3.96Å; L254-M274 HydrophobicContact CB-CG 4.1Å; L254-M274 HydrophobicContact CB-SD 4.28Å; L254-M274 HydrophobicContact CD2-SD 4.4Å; R258-M274 HydrophobicContact CB-CE 3.89Å; R258-M274 HydrophobicContact CG-CE 3.9Å; L262-M274 HydrophobicContact CD1-CE 4.11Å; L269-M274 HydrophobicContact CD1-CE 4.49Å; N271-M274 PolarHBondContact O-N 3.39Å; Y272-M274 VanDerWaalsContact C-N 3.31Å; Y272-M274 PolarHBondContact O-N 2.97Å; M274-L278 WeakPolarHBondContact O-CB 3.31Å; M274-L278 PolarHBondContact O-N 3.35Å; M274-L278 VanDerWaalsContact O-N 3.11Å; M274-L307 HydrophobicContact CE-CD2 3.72Å; M274-L307 HydrophobicContact SD-CD2 4Å
275K98.7Very high97.7Very high17 Ų1730.1 Ų30.17%0.07416%0.159CC..Hα-helixtrans-65.3-44.7176.9-163.3-177.2-172.3-166.10111.3G235 E238 N239 L242 L251 N271 Y272 H273 L278 L279G235-K275 PolarHBondContact O-NZ 3.42Å; E238-K275 HydrophobicContact CB-CD 4.47Å; E238-K275 VanDerWaalsContact CB-NZ 3.3Å; E238-K275 WeakPolarHBondContact OE2-CD 3.45Å; E238-K275 VanDerWaalsContact OE2-CE 3.25Å; E238-K275 WeakPolarHBondContact OE2-CE 3.34Å; E238-K275 IonicContact OE2-NZ 2.83Å; E238-K275 PolarHBondContact OE2-NZ 2.87Å; N239-K275 WeakPolarHBondContact OD1-CE 3.4Å; N239-K275 PolarHBondContact OD1-NZ 3.49Å; L242-K275 HydrophobicContact CD1-CD 4.5Å; L242-K275 HydrophobicContact CD1-CG 3.76Å; L251-K275 HydrophobicContact CD1-CB 4.15Å; L251-K275 HydrophobicContact CD2-CB 4.46Å; L251-K275 HydrophobicContact CD2-CG 4.07Å; N271-K275 PolarHBondContact O-N 3.35Å; N271-K275 VanDerWaalsContact O-N 3.15Å; Y272-K275 PolarHBondContact O-N 3.38Å; H273-K275 VanDerWaalsContact C-N 3.33Å; H273-K275 PolarHBondContact O-N 3.47Å; K275-L278 WeakPolarHBondContact O-CB 3.4Å; K275-L278 PolarHBondContact O-N 2.94Å; K275-L279 WeakPolarHBondContact O-CG 3.29Å; K275-L279 PolarHBondContact O-N 3.47Å; K275-L279 VanDerWaalsContact O-N 3.14Å
276T98.8Very high97.8Very high0 Ų026.4 Ų26.40%014%0.135CC..Hα-helixtrans-62-46.5178.4-63.30000111.9Y272 H273 L278 L279 Y280 P317 L326Y272-T276 WeakPolarHBondContact O-CB 3.42Å; Y272-T276 PolarHBondContact O-N 2.96Å; Y272-T276 PolarHBondContact O-OG1 2.94Å; H273-T276 PolarHBondContact O-N 2.83Å; T276-L278 VanDerWaalsContact C-N 3.32Å; T276-L278 PolarHBondContact O-N 3.26Å; T276-L279 WeakPolarHBondContact O-CB 3.28Å; T276-L279 PolarHBondContact O-N 2.99Å; T276-Y280 HydrophobicContact CG2-CD2 3.92Å; T276-Y280 HydrophobicContact CG2-CE2 3.66Å; T276-Y280 WeakPolarHBondContact O-CD2 3.28Å; T276-Y280 PolarHBondContact O-N 2.89Å; T276-Y280 VanDerWaalsContact O-N 3.11Å; T276-P317 WeakPolarHBondContact CG2-O 3.14Å; T276-L326 HydrophobicContact CG2-CD1 3.85Å; T276-L326 WeakPolarHBondContact OG1-CD1 3.31Å
277L98.8Very high98.1Very high2 Ų231.7 Ų31.71%0.0114%0.14CC..Hα-helixtrans-67.9-32.7179.1-66.9-177.4000112.9H273 L279 Y280 E281 I303 Q306 L307H273-L277 WeakPolarHBondContact O-CG 3.36Å; H273-L277 PolarHBondContact O-N 3.4Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-Y280 PolarHBondContact O-N 3.42Å; L277-E281 WeakPolarHBondContact O-CB 3.2Å; L277-E281 PolarHBondContact O-N 3.44Å; L277-I303 HydrophobicContact CB-CG2 3.87Å; L277-Q306 HydrophobicContact CD2-CG 3.84Å; L277-L307 HydrophobicContact CD1-CB 3.49Å; L277-L307 VanDerWaalsContact CD1-CB 3.49Å; L277-L307 HydrophobicContact CD1-CD1 3.59Å; L277-L307 HydrophobicContact CD1-CG 4.1Å
278L98.8Very high98.2Very high0 Ų031.5 Ų31.50%014%0.14CC..Hα-helixtrans-62.5-39.8171.8176.364.1000111.9L242 R247 L251 M274 K275 T276 E281 C282 W291 I303L242-L278 HydrophobicContact CD1-CD2 4.06Å; L242-L278 HydrophobicContact CD2-CD2 3.66Å; L242-L278 HydrophobicContact CD2-CG 3.67Å; L242-L278 HydrophobicContact CG-CD2 4.45Å; R247-L278 HydrophobicContact CB-CD2 4.48Å; R247-L278 WeakPolarHBondContact O-CD2 3.41Å; L251-L278 HydrophobicContact CB-CD2 3.67Å; L251-L278 HydrophobicContact CD1-CD2 4.27Å; L251-L278 HydrophobicContact CD2-CD2 4.35Å; L251-L278 HydrophobicContact CG-CD2 4.29Å; M274-L278 WeakPolarHBondContact O-CB 3.31Å; M274-L278 PolarHBondContact O-N 3.35Å; M274-L278 VanDerWaalsContact O-N 3.11Å; K275-L278 WeakPolarHBondContact O-CB 3.4Å; K275-L278 PolarHBondContact O-N 2.94Å; T276-L278 VanDerWaalsContact C-N 3.32Å; T276-L278 PolarHBondContact O-N 3.26Å; L278-E281 PolarHBondContact O-N 2.95Å; L278-C282 PolarHBondContact O-N 3.48Å; L278-C282 PolarHBondContact O-SG 2.89Å; L278-W291 HydrophobicContact CD1-CH2 3.4Å; L278-W291 VanDerWaalsContact CD1-CH2 3.4Å; L278-W291 HydrophobicContact CD1-CZ3 3.4Å; L278-W291 VanDerWaalsContact CD1-CZ3 3.4Å; L278-I303 HydrophobicContact CB-CD1 4.16Å; L278-I303 HydrophobicContact CD1-CD1 3.58Å; L278-I303 HydrophobicContact CG-CD1 4.49Å
279L98.8Very high98.2Very high0 Ų035.2 Ų35.20%016%0.163CC..Hα-helixtrans-63-47.6175.7-70.3165.4000111.5W194 E238 L241 L242 K275 T276 L277 E281 C282 E283 Y319W194-L279 HydrophobicContact CH2-CD2 4.34Å; E238-L279 HydrophobicContact CB-CD1 4.46Å; E238-L279 HydrophobicContact CG-CD1 4.12Å; L241-L279 HydrophobicContact CB-CD2 4.24Å; L241-L279 HydrophobicContact CD2-CD2 3.56Å; L241-L279 HydrophobicContact CG-CD2 3.74Å; L242-L279 HydrophobicContact CD1-CD2 4.43Å; L242-L279 HydrophobicContact CD2-CD2 3.56Å; L242-L279 HydrophobicContact CD2-CG 4.03Å; L242-L279 HydrophobicContact CG-CD2 3.76Å; L242-L279 HydrophobicContact CG-CG 4.34Å; K275-L279 WeakPolarHBondContact O-CG 3.29Å; K275-L279 PolarHBondContact O-N 3.47Å; K275-L279 VanDerWaalsContact O-N 3.14Å; T276-L279 WeakPolarHBondContact O-CB 3.28Å; T276-L279 PolarHBondContact O-N 2.99Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L279-E281 VanDerWaalsContact C-N 3.29Å; L279-E281 PolarHBondContact O-N 3.38Å; L279-C282 WeakPolarHBondContact O-CB 3.41Å; L279-C282 PolarHBondContact O-N 3.2Å; L279-C282 VanDerWaalsContact O-N 3.12Å; L279-E283 PolarHBondContact O-N 3.39Å; L279-Y319 HydrophobicContact CB-CD1 4Å; L279-Y319 HydrophobicContact CB-CD2 3.52Å; L279-Y319 HydrophobicContact CB-CE1 4.21Å; L279-Y319 HydrophobicContact CB-CE2 3.77Å; L279-Y319 HydrophobicContact CB-CG 3.66Å; L279-Y319 HydrophobicContact CD1-CD1 3.73Å; L279-Y319 HydrophobicContact CD1-CE1 4.43Å; L279-Y319 HydrophobicContact CD1-CG 3.78Å; L279-Y319 HydrophobicContact CD2-CD1 4.42Å; L279-Y319 HydrophobicContact CD2-CE1 4.33Å; L279-Y319 HydrophobicContact CG-CD1 4.27Å; L279-Y319 HydrophobicContact CG-CG 4.28Å
280Y98.6Very high98.2Very high47 Ų4736.1 Ų36.118%0.18417%0.168CC..Hα-helixtrans-63.1-34.4173.9-76.8-65.9000113T276 L277 C282 E283 K284 P317 H318 Y319T276-Y280 HydrophobicContact CG2-CD2 3.92Å; T276-Y280 HydrophobicContact CG2-CE2 3.66Å; T276-Y280 WeakPolarHBondContact O-CD2 3.28Å; T276-Y280 PolarHBondContact O-N 2.89Å; T276-Y280 VanDerWaalsContact O-N 3.11Å; L277-Y280 PolarHBondContact O-N 3.42Å; Y280-C282 PolarHBondContact O-N 3.44Å; Y280-E283 PolarHBondContact O-N 3.4Å; Y280-K284 PolarHBondContact O-N 3.22Å; Y280-P317 HydrophobicContact CE2-CG 4.26Å; Y280-P317 VanDerWaalsContact CE2-O 3.29Å; Y280-P317 WeakPolarHBondContact CE2-O 3.24Å; Y280-P317 PolarHBondContact OH-O 3.39Å; Y280-H318 PolarHBondContact OH-O 3.44Å; Y280-Y319 HydrophobicContact CD1-CD2 4.02Å; Y280-Y319 HydrophobicContact CD1-CE2 4.23Å; Y280-Y319 HydrophobicContact CD2-CD2 4.2Å; Y280-Y319 AromaticContact CE1-CD2 3.97Å; Y280-Y319 HydrophobicContact CE1-CD2 3.97Å; Y280-Y319 HydrophobicContact CE1-CE2 4.4Å; Y280-Y319 HydrophobicContact CE2-CD2 4.13Å; Y280-Y319 HydrophobicContact CG-CD2 4.14Å
281E98.7Very high98.3Very high4 Ų434 Ų342%0.01916%0.156CC..Hα-helixtrans-66.3-30.8176.1-163.469.6-173.900111.7L277 L278 L279 K284 H285 W291 R299 I303L277-E281 WeakPolarHBondContact O-CB 3.2Å; L277-E281 PolarHBondContact O-N 3.44Å; L278-E281 PolarHBondContact O-N 2.95Å; L279-E281 VanDerWaalsContact C-N 3.29Å; L279-E281 PolarHBondContact O-N 3.38Å; E281-K284 PolarHBondContact O-N 3.45Å; E281-K284 IonicContact OE2-NZ 2.92Å; E281-K284 PolarHBondContact OE2-NZ 3.13Å; E281-H285 PolarHBondContact O-N 2.77Å; E281-H285 PolarHBondContact O-ND1 2.79Å; E281-H285 IonicContact OE1-CE1 3.32Å; E281-H285 PolarHBondContact OE1-CE1 2.96Å; E281-H285 IonicContact OE1-ND1 3.22Å; E281-H285 PolarHBondContact OE1-ND1 3.15Å; E281-W291 HydrophobicContact CB-CH2 4.07Å; E281-W291 HydrophobicContact CB-CZ2 4.26Å; E281-W291 HydrophobicContact CG-CH2 4Å; E281-W291 HydrophobicContact CG-CZ2 4.2Å; E281-R299 IonicContact OE1-CZ 2.77Å; E281-R299 IonicContact OE1-NH1 3.07Å; E281-R299 PolarHBondContact OE1-NH1 3.46Å; E281-I303 HydrophobicContact CB-CD1 4.15Å; E281-I303 HydrophobicContact CB-CG1 3.66Å; E281-I303 HydrophobicContact CG-CD1 4.26Å; E281-I303 HydrophobicContact CG-CG1 3.72Å
282C98.6Very high98.3Very high0 Ų037.5 Ų37.50%018%0.175CC..Hα-helixtrans-66.7-37.7173.4-64.20000112W194 R247 L278 L279 Y280 K284 H285 P286 W291W194-C282 HydrophobicContact CD2-CB 3.89Å; W194-C282 HydrophobicContact CE3-CB 3.85Å; W194-C282 HydrophobicContact CH2-CB 3.32Å; W194-C282 HydrophobicContact CZ2-CB 3.41Å; W194-C282 VanDerWaalsContact CZ2-CB 3.41Å; W194-C282 HydrophobicContact CZ3-CB 3.57Å; R247-C282 PolarHBondContact NE-SG 3.29Å; L278-C282 PolarHBondContact O-N 3.48Å; L278-C282 PolarHBondContact O-SG 2.89Å; L279-C282 WeakPolarHBondContact O-CB 3.41Å; L279-C282 PolarHBondContact O-N 3.2Å; L279-C282 VanDerWaalsContact O-N 3.12Å; Y280-C282 PolarHBondContact O-N 3.44Å; C282-K284 VanDerWaalsContact C-N 3.34Å; C282-H285 CarbonylContact O-C 3.45Å; C282-H285 PolarHBondContact O-N 2.68Å; C282-H285 VanDerWaalsContact O-O 3.05Å; C282-P286 WeakPolarHBondContact O-CA 3.14Å; C282-W291 HydrophobicContact CB-CZ2 4.05Å; C282-W291 WeakPolarHBondContact SG-CZ2 3.3Å
283E98.1Very high98.3Very high35 Ų3538.9 Ų38.916%0.16418%0.183CC..Hα-helixtrans-64.8-39.2174.7-66.6-169.916100112.4I192 W194 L279 Y280 H285 Y319I192-E283 HydrophobicContact CD1-CB 4.12Å; I192-E283 VanDerWaalsContact CD1-CD 3.41Å; I192-E283 HydrophobicContact CD1-CG 4.09Å; I192-E283 VanDerWaalsContact CD1-OE2 3.31Å; I192-E283 WeakPolarHBondContact CD1-OE2 3.33Å; I192-E283 HydrophobicContact CG2-CB 3.81Å; I192-E283 HydrophobicContact CG2-CG 3.92Å; W194-E283 HydrophobicContact CE3-CG 4Å; W194-E283 HydrophobicContact CZ3-CG 4.21Å; L279-E283 PolarHBondContact O-N 3.39Å; Y280-E283 PolarHBondContact O-N 3.4Å; E283-H285 VanDerWaalsContact C-N 3.29Å; E283-H285 PolarHBondContact O-N 3.36Å; E283-Y319 HydrophobicContact CG-CE2 4.04Å; E283-Y319 VanDerWaalsContact OE1-CE2 3.25Å; E283-Y319 WeakPolarHBondContact OE1-CE2 3.25Å; E283-Y319 VanDerWaalsContact OE1-CZ 3.26Å; E283-Y319 PolarHBondContact OE1-OH 2.86Å
284K98.1Very high98.2Very high99 Ų9941.8 Ų41.843%0.4321%0.208SC..Hα-helixtrans-69.1-27.7176-65.3176.7-167.5166.40113.3Y280 E281 C282 P286Y280-K284 PolarHBondContact O-N 3.22Å; E281-K284 PolarHBondContact O-N 3.45Å; E281-K284 IonicContact OE2-NZ 2.92Å; E281-K284 PolarHBondContact OE2-NZ 3.13Å; C282-K284 VanDerWaalsContact C-N 3.34Å; K284-P286 VanDerWaalsContact C-CD 3.48Å; K284-P286 WeakPolarHBondContact O-CD 3.28Å
285H98.4Very high98.1Very high48 Ų4843 Ų4322%0.22222%0.216CC..SBendtrans-127.972.7-176.6-59.886.3000109.2E281 C282 E283 R287 D290 W291 R299E281-H285 PolarHBondContact O-N 2.77Å; E281-H285 PolarHBondContact O-ND1 2.79Å; E281-H285 IonicContact OE1-CE1 3.32Å; E281-H285 PolarHBondContact OE1-CE1 2.96Å; E281-H285 IonicContact OE1-ND1 3.22Å; E281-H285 PolarHBondContact OE1-ND1 3.15Å; C282-H285 CarbonylContact O-C 3.45Å; C282-H285 PolarHBondContact O-N 2.68Å; C282-H285 VanDerWaalsContact O-O 3.05Å; E283-H285 VanDerWaalsContact C-N 3.29Å; E283-H285 PolarHBondContact O-N 3.36Å; H285-R287 VanDerWaalsContact C-N 3.34Å; H285-R287 PolarHBondContact O-N 3.29Å; H285-D290 HydrophobicContact CB-CB 3.77Å; H285-W291 PolarHBondContact O-NE1 3.42Å; H285-R299 PolarHBondContact CD2-NH1 3.28Å; H285-R299 PolarHBondContact CD2-NH2 3.13Å; H285-R299 PolarHBondContact CE1-NH1 3.43Å; H285-R299 VanDerWaalsContact CG-CZ 3.49Å; H285-R299 VanDerWaalsContact CG-NH1 3.28Å; H285-R299 PolarHBondContact ND1-NH1 3.49Å; H285-R299 PolarHBondContact NE2-NH1 3.45Å; H285-R299 PolarHBondContact NE2-NH2 3.2Å
286P97.8Very high98.1Very high35 Ų3542.1 Ų42.123%0.22721%0.212CC..  trans-77-15.3-162.729.4-36.9000114.4P193 W194 C282 K284P193-P286 HydrophobicContact CG-CB 3.74Å; P193-P286 HydrophobicContact CG-CG 3.68Å; W194-P286 HydrophobicContact CB-CB 3.45Å; W194-P286 VanDerWaalsContact CB-CB 3.45Å; W194-P286 VanDerWaalsContact CD1-O 3.28Å; W194-P286 HydrophobicContact CG-CB 4.39Å; C282-P286 WeakPolarHBondContact O-CA 3.14Å; K284-P286 VanDerWaalsContact C-CD 3.48Å; K284-P286 WeakPolarHBondContact O-CD 3.28Å
287R97.5Very high98Very high157 Ų15742.1 Ų42.159%0.59221%0.212SC*.SBendtrans-84.2143.5-175.6-54.4171.9-65.6-177.63.5109.6H285 T289 D290H285-R287 VanDerWaalsContact C-N 3.34Å; H285-R287 PolarHBondContact O-N 3.29Å; R287-T289 PolarHBondContact O-N 3.48Å; R287-D290 VanDerWaalsContact CB-OD2 3.31Å; R287-D290 WeakPolarHBondContact CB-OD2 3.25Å; R287-D290 IonicContact CZ-OD1 3.48Å; R287-D290 IonicContact CZ-OD2 3.8Å; R287-D290 PolarHBondContact N-OD2 2.77Å; R287-D290 IonicContact NE-OD1 3.82Å; R287-D290 PolarHBondContact NE-OD1 3.03Å; R287-D290 IonicContact NE-OD2 2.69Å; R287-D290 PolarHBondContact NE-OD2 3.37Å; R287-D290 IonicContact NH2-OD1 3.99Å; R287-D290 PolarHBondContact NH2-OD1 3Å; R287-D290 IonicContact NH2-OD2 2.6Å; R287-D290 WeakPolarHBondContact O-CB 3.39Å; R287-D290 PolarHBondContact O-N 3.13Å
288E97.2Very high98Very high98 Ų9845 Ų4546%0.45823%0.227SC..G310 helixtrans-59-33.7176.4-69.6-55.511900112.4R247 D290 W291 D292R247-E288 IonicContact CZ-OE1 3.55Å; R247-E288 IonicContact CZ-OE2 3.65Å; R247-E288 IonicContact NH1-OE1 3.42Å; R247-E288 PolarHBondContact NH1-OE1 3.39Å; R247-E288 IonicContact NH1-OE2 2.82Å; R247-E288 PolarHBondContact NH1-OE2 2.92Å; R247-E288 IonicContact NH2-OE1 2.79Å; R247-E288 PolarHBondContact NH2-OE1 2.92Å; R247-E288 IonicContact NH2-OE2 3.52Å; E288-D290 PolarHBondContact O-N 3.27Å; E288-W291 CarbonylContact O-C 3.59Å; E288-W291 WeakPolarHBondContact O-CA 3.44Å; E288-W291 PolarHBondContact O-N 3.23Å; E288-D292 PolarHBondContact O-N 3.03Å
289T97.8Very high98Very high79 Ų7946.1 Ų46.149%0.48523%0.232SC..G310 helixtrans-64.7-23.6175.953.10000113.6R287 W291 D292R287-T289 PolarHBondContact O-N 3.48Å; T289-W291 PolarHBondContact O-N 2.96Å; T289-D292 PolarHBondContact O-N 3.43Å
290D98.2Very high97.9Very high22 Ų2246.3 Ų46.312%0.11823%0.233CC..G310 helixtrans-71.6-10.5174.2-59.3-46000112H285 R287 E288 C295 R299H285-D290 HydrophobicContact CB-CB 3.77Å; R287-D290 VanDerWaalsContact CB-OD2 3.31Å; R287-D290 WeakPolarHBondContact CB-OD2 3.25Å; R287-D290 IonicContact CZ-OD1 3.48Å; R287-D290 IonicContact CZ-OD2 3.8Å; R287-D290 PolarHBondContact N-OD2 2.77Å; R287-D290 IonicContact NE-OD1 3.82Å; R287-D290 PolarHBondContact NE-OD1 3.03Å; R287-D290 IonicContact NE-OD2 2.69Å; R287-D290 PolarHBondContact NE-OD2 3.37Å; R287-D290 IonicContact NH2-OD1 3.99Å; R287-D290 PolarHBondContact NH2-OD1 3Å; R287-D290 IonicContact NH2-OD2 2.6Å; R287-D290 WeakPolarHBondContact O-CB 3.39Å; R287-D290 PolarHBondContact O-N 3.13Å; E288-D290 PolarHBondContact O-N 3.27Å; D290-C295 WeakPolarHBondContact O-CB 3.45Å; D290-R299 WeakPolarHBondContact O-CD 3.18Å; D290-R299 PolarHBondContact O-NE 3.46Å
291W98.4Very high97.9Very high0 Ų046 Ų460%023%0.234CC..G310 helixtrans-114.814178.2-6490.9000112.9G245 C246 R247 L278 E281 C282 H285 E288 T289 R299G245-W291 CarbonylContact C-O 3.59Å; G245-W291 WeakPolarHBondContact CA-O 3.49Å; C246-W291 PolarHBondContact N-O 3.11Å; C246-W291 PolarHBondContact SG-O 3.04Å; R247-W291 HydrophobicContact CB-CE3 4.24Å; R247-W291 HydrophobicContact CG-CB 4.37Å; R247-W291 HydrophobicContact CG-CD2 3.51Å; R247-W291 HydrophobicContact CG-CE3 3.29Å; R247-W291 HydrophobicContact CG-CG 3.97Å; R247-W291 HydrophobicContact CG-CZ3 3.86Å; R247-W291 VanDerWaalsContact CZ-CD1 3.5Å; L278-W291 HydrophobicContact CD1-CH2 3.4Å; L278-W291 VanDerWaalsContact CD1-CH2 3.4Å; L278-W291 HydrophobicContact CD1-CZ3 3.4Å; L278-W291 VanDerWaalsContact CD1-CZ3 3.4Å; E281-W291 HydrophobicContact CB-CH2 4.07Å; E281-W291 HydrophobicContact CB-CZ2 4.26Å; E281-W291 HydrophobicContact CG-CH2 4Å; E281-W291 HydrophobicContact CG-CZ2 4.2Å; C282-W291 HydrophobicContact CB-CZ2 4.05Å; C282-W291 WeakPolarHBondContact SG-CZ2 3.3Å; H285-W291 PolarHBondContact O-NE1 3.42Å; E288-W291 CarbonylContact O-C 3.59Å; E288-W291 WeakPolarHBondContact O-CA 3.44Å; E288-W291 PolarHBondContact O-N 3.23Å; T289-W291 PolarHBondContact O-N 2.96Å; W291-R299 HydrophobicContact CD2-CG 4.22Å; W291-R299 HydrophobicContact CE3-CB 4.29Å; W291-R299 HydrophobicContact CE3-CG 3.7Å; W291-R299 HydrophobicContact CH2-CB 4.11Å; W291-R299 HydrophobicContact CH2-CG 4.01Å; W291-R299 HydrophobicContact CZ2-CG 4.47Å; W291-R299 HydrophobicContact CZ3-CB 3.73Å; W291-R299 HydrophobicContact CZ3-CG 3.6Å
292D97.8Very high97.9Very high82 Ų8246.6 Ų46.644%0.43924%0.241SC..SBendtrans-60.9159170.4-74-19.5000110.8E288 T289 A294 C295E288-D292 PolarHBondContact O-N 3.03Å; T289-D292 PolarHBondContact O-N 3.43Å; D292-A294 PolarHBondContact O-N 2.74Å; D292-A294 VanDerWaalsContact O-N 3.09Å; D292-C295 WeakPolarHBondContact O-CB 3.43Å; D292-C295 PolarHBondContact O-N 3.26Å
293E97.2Very high97.9Very high88 Ų8846.6 Ų46.641%0.41124%0.241SC..G310 helixtrans-57.4-29.6-178.2-72.5-67171.900113.5K249 C295 L296K249-E293 IonicContact NZ-OE1 2.99Å; K249-E293 PolarHBondContact NZ-OE1 2.87Å; K249-E293 IonicContact NZ-OE2 2.67Å; K249-E293 PolarHBondContact NZ-OE2 3.23Å; E293-C295 VanDerWaalsContact C-N 3.27Å; E293-C295 PolarHBondContact O-N 2.98Å; E293-L296 WeakPolarHBondContact O-CB 3.45Å; E293-L296 PolarHBondContact O-N 3.38Å
294A96.8Very high97.9Very high63 Ų6345.1 Ų45.152%0.52124%0.235SC..G310 helixtrans-68.7-23.5175.100000113.4V9 D292V9-A294 VanDerWaalsContact CG2-O 3.31Å; V9-A294 WeakPolarHBondContact CG2-O 3.43Å; D292-A294 PolarHBondContact O-N 2.74Å; D292-A294 VanDerWaalsContact O-N 3.09Å
295C97.7Very high97.9Very high26 Ų2644 Ų4418%0.17623%0.233CC..G310 helixtrans-88.3-4.9-178.7-64.40000113.2D290 D292 E293 G297 D298 R299D290-C295 WeakPolarHBondContact O-CB 3.45Å; D292-C295 WeakPolarHBondContact O-CB 3.43Å; D292-C295 PolarHBondContact O-N 3.26Å; E293-C295 VanDerWaalsContact C-N 3.27Å; E293-C295 PolarHBondContact O-N 2.98Å; C295-G297 PolarHBondContact O-N 2.82Å; C295-G297 VanDerWaalsContact O-N 3.12Å; C295-D298 PolarHBondContact O-N 2.79Å; C295-R299 HydrophobicContact CB-CG 4.34Å; C295-R299 WeakPolarHBondContact O-CG 3.38Å; C295-R299 PolarHBondContact O-N 3.03Å
296L98.2Very high97.9Very high0 Ų044.2 Ų44.20%023%0.234CC..Hα-helixtrans-50.5-41.9-176.7177.162.8000113.1L12 C246 K249 C250 E293 L300L12-L296 HydrophobicContact CB-CD2 3.92Å; L12-L296 HydrophobicContact CB-CG 4.44Å; L12-L296 HydrophobicContact CD1-CG 4.22Å; C246-L296 HydrophobicContact CB-CB 4.47Å; C246-L296 HydrophobicContact CB-CD1 4.25Å; K249-L296 HydrophobicContact CD-CD2 3.77Å; K249-L296 HydrophobicContact CG-CD2 4.36Å; C250-L296 HydrophobicContact CB-CD1 3.82Å; E293-L296 WeakPolarHBondContact O-CB 3.45Å; E293-L296 PolarHBondContact O-N 3.38Å; L296-L300 WeakPolarHBondContact O-CB 3.47Å; L296-L300 PolarHBondContact O-N 3.49Å
297G97.3Very high98Very high0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-63.7-45.5178.200000113C295 N301C295-G297 PolarHBondContact O-N 2.82Å; C295-G297 VanDerWaalsContact O-N 3.12Å; G297-N301 WeakPolarHBondContact O-CB 3.38Å; G297-N301 PolarHBondContact O-N 3.36Å
298D97.6Very high98Very high62 Ų6235.5 Ų35.533%0.33220%0.197SC..Hα-helixtrans-68-43.1-179.7-57-40.4000111.2Q5 C295 N301 G302Q5-D298 PolarHBondContact NE2-OD2 3.48Å; C295-D298 PolarHBondContact O-N 2.79Å; D298-N301 PolarHBondContact O-N 3.42Å; D298-G302 PolarHBondContact O-N 3.36Å
299R98.5Very high98.1Very high24 Ų2433.2 Ų33.29%0.09119%0.192CC..Hα-helixtrans-62.2-46.1177.6-60.9-55.694-125.23.7111.6E281 H285 D290 W291 C295 N301 G302 I303E281-R299 IonicContact OE1-CZ 2.77Å; E281-R299 IonicContact OE1-NH1 3.07Å; E281-R299 PolarHBondContact OE1-NH1 3.46Å; H285-R299 PolarHBondContact CD2-NH1 3.28Å; H285-R299 PolarHBondContact CD2-NH2 3.13Å; H285-R299 PolarHBondContact CE1-NH1 3.43Å; H285-R299 VanDerWaalsContact CG-CZ 3.49Å; H285-R299 VanDerWaalsContact CG-NH1 3.28Å; H285-R299 PolarHBondContact ND1-NH1 3.49Å; H285-R299 PolarHBondContact NE2-NH1 3.45Å; H285-R299 PolarHBondContact NE2-NH2 3.2Å; D290-R299 WeakPolarHBondContact O-CD 3.18Å; D290-R299 PolarHBondContact O-NE 3.46Å; W291-R299 HydrophobicContact CD2-CG 4.22Å; W291-R299 HydrophobicContact CE3-CB 4.29Å; W291-R299 HydrophobicContact CE3-CG 3.7Å; W291-R299 HydrophobicContact CH2-CB 4.11Å; W291-R299 HydrophobicContact CH2-CG 4.01Å; W291-R299 HydrophobicContact CZ2-CG 4.47Å; W291-R299 HydrophobicContact CZ3-CB 3.73Å; W291-R299 HydrophobicContact CZ3-CG 3.6Å; C295-R299 HydrophobicContact CB-CG 4.34Å; C295-R299 WeakPolarHBondContact O-CG 3.38Å; C295-R299 PolarHBondContact O-N 3.03Å; R299-N301 PolarHBondContact O-N 3.45Å; R299-G302 PolarHBondContact O-N 2.94Å; R299-I303 WeakPolarHBondContact O-CD1 3.31Å; R299-I303 VanDerWaalsContact O-CG1 3.28Å; R299-I303 WeakPolarHBondContact O-CG1 3.12Å; R299-I303 PolarHBondContact O-N 3.01Å
300L98.4Very high98.2Very high3 Ų329.8 Ų29.82%0.01617%0.171CC..Hα-helixtrans-61.7-45.5177.3-175.474.4000111.3L12 V253 L254 L296 I303 L304L12-L300 HydrophobicContact CD1-CB 4.47Å; L12-L300 HydrophobicContact CD1-CD2 3.81Å; L12-L300 HydrophobicContact CD2-CD2 3.34Å; L12-L300 HydrophobicContact CG-CD2 4.24Å; V253-L300 HydrophobicContact CB-CD1 4.36Å; V253-L300 HydrophobicContact CG1-CD1 3.92Å; V253-L300 HydrophobicContact CG1-CD2 3.92Å; L254-L300 HydrophobicContact CD2-CD1 3.53Å; L254-L300 HydrophobicContact CG-CD1 3.63Å; L296-L300 WeakPolarHBondContact O-CB 3.47Å; L296-L300 PolarHBondContact O-N 3.49Å; L300-I303 PolarHBondContact O-N 3.02Å; L300-L304 HydrophobicContact CG-CD1 4.25Å; L300-L304 WeakPolarHBondContact O-CG 3.35Å; L300-L304 PolarHBondContact O-N 3.46Å
301N97.4Very high98.2Very high40 Ų4028.8 Ų28.821%0.21417%0.166CC..Hα-helixtrans-62.4-45.6178.9-174.952.9000111.7G297 D298 R299 I303 L304 L305G297-N301 WeakPolarHBondContact O-CB 3.38Å; G297-N301 PolarHBondContact O-N 3.36Å; D298-N301 PolarHBondContact O-N 3.42Å; R299-N301 PolarHBondContact O-N 3.45Å; N301-I303 VanDerWaalsContact C-N 3.32Å; N301-I303 PolarHBondContact O-N 2.91Å; N301-L304 PolarHBondContact O-N 3.26Å; N301-L305 WeakPolarHBondContact O-CG 3.42Å; N301-L305 PolarHBondContact O-N 2.81Å
302G98.4Very high98.2Very high17 Ų1734.4 Ų34.418%0.17519%0.192CC..Hα-helixtrans-56.5-44.5175.700000112.6D298 R299 L305 Q306D298-G302 PolarHBondContact O-N 3.36Å; R299-G302 PolarHBondContact O-N 2.94Å; G302-L305 PolarHBondContact O-N 3.35Å; G302-Q306 WeakPolarHBondContact O-CB 3.41Å; G302-Q306 PolarHBondContact O-N 3.43Å
303I98.8Very high98.2Very high0 Ų034.8 Ų34.80%020%0.2CC..Hα-helixtrans-66.5-42.7178-66.2162.6000111.8L254 L277 L278 E281 R299 L300 N301 Q306 L307L254-I303 HydrophobicContact CD1-CB 4.29Å; L254-I303 HydrophobicContact CD1-CD1 3.86Å; L254-I303 HydrophobicContact CD1-CG2 3.62Å; L254-I303 HydrophobicContact CD2-CB 4.48Å; L254-I303 HydrophobicContact CD2-CG2 3.85Å; L254-I303 HydrophobicContact CG-CG2 4.41Å; L277-I303 HydrophobicContact CB-CG2 3.87Å; L278-I303 HydrophobicContact CB-CD1 4.16Å; L278-I303 HydrophobicContact CD1-CD1 3.58Å; L278-I303 HydrophobicContact CG-CD1 4.49Å; E281-I303 HydrophobicContact CB-CD1 4.15Å; E281-I303 HydrophobicContact CB-CG1 3.66Å; E281-I303 HydrophobicContact CG-CD1 4.26Å; E281-I303 HydrophobicContact CG-CG1 3.72Å; R299-I303 WeakPolarHBondContact O-CD1 3.31Å; R299-I303 VanDerWaalsContact O-CG1 3.28Å; R299-I303 WeakPolarHBondContact O-CG1 3.12Å; R299-I303 PolarHBondContact O-N 3.01Å; L300-I303 PolarHBondContact O-N 3.02Å; N301-I303 VanDerWaalsContact C-N 3.32Å; N301-I303 PolarHBondContact O-N 2.91Å; I303-Q306 PolarHBondContact O-N 3.4Å; I303-L307 WeakPolarHBondContact O-CB 3.17Å; I303-L307 PolarHBondContact O-N 3.01Å
304L98.7Very high98.2Very high5 Ų536.6 Ų36.63%0.02620%0.203CC..Hα-helixtrans-64.7-42.3178.1-71.4175.8000111.8L254 L300 N301 L307 I308 T342 A346 I349L254-L304 HydrophobicContact CD2-CD2 3.94Å; L254-L304 HydrophobicContact CD2-CG 4.3Å; L300-L304 HydrophobicContact CG-CD1 4.25Å; L300-L304 WeakPolarHBondContact O-CG 3.35Å; L300-L304 PolarHBondContact O-N 3.46Å; N301-L304 PolarHBondContact O-N 3.26Å; L304-L307 WeakPolarHBondContact O-CB 3.46Å; L304-L307 PolarHBondContact O-N 3.24Å; L304-I308 VanDerWaalsContact O-CD1 3.27Å; L304-I308 WeakPolarHBondContact O-CD1 3.4Å; L304-I308 VanDerWaalsContact O-CG1 3.32Å; L304-I308 WeakPolarHBondContact O-CG1 3.41Å; L304-I308 PolarHBondContact O-N 3.22Å; L304-T342 HydrophobicContact CD2-CG2 4.28Å; L304-A346 HydrophobicContact CB-CB 4.05Å; L304-A346 HydrophobicContact CD1-CB 4.08Å; L304-I349 HydrophobicContact CD1-CD1 4.35Å
305L98.5Very high98.2Very high75 Ų7540.7 Ų40.739%0.39321%0.205SC..Hα-helixtrans-64.3-40.7174.9-67.7176.5000111.7N301 G302 L307 I308 S309 W343N301-L305 WeakPolarHBondContact O-CG 3.42Å; N301-L305 PolarHBondContact O-N 2.81Å; G302-L305 PolarHBondContact O-N 3.35Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 2.98Å; L305-I308 HydrophobicContact CD2-CD1 4.3Å; L305-I308 PolarHBondContact O-N 3.03Å; L305-S309 PolarHBondContact O-N 3.16Å; L305-W343 HydrophobicContact CD2-CZ3 4.14Å
306Q98.6Very high98.2Very high53 Ų5339.4 Ų39.425%0.24820%0.197CC..Hα-helixtrans-63-39.2173.7-176.460.757.700111.8L277 G302 I303 S309 C310L277-Q306 HydrophobicContact CD2-CG 3.84Å; G302-Q306 WeakPolarHBondContact O-CB 3.41Å; G302-Q306 PolarHBondContact O-N 3.43Å; I303-Q306 PolarHBondContact O-N 3.4Å; Q306-S309 WeakPolarHBondContact O-CB 3.36Å; Q306-S309 PolarHBondContact O-N 3.13Å; Q306-C310 PolarHBondContact NE2-SG 3.34Å; Q306-C310 VanDerWaalsContact NE2-SG 3.4Å; Q306-C310 PolarHBondContact O-N 2.8Å; Q306-C310 PolarHBondContact O-SG 3.11Å
307L98.8Very high98.2Very high0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-61.2-44.7176.3178.858.7000111.5L262 L269 M274 L277 I303 L304 L305 S309 C310 L311 T342L262-L307 HydrophobicContact CD1-CD2 4.49Å; L269-L307 HydrophobicContact CD1-CD2 4.18Å; L269-L307 HydrophobicContact CD2-CD1 3.7Å; M274-L307 HydrophobicContact CE-CD2 3.72Å; M274-L307 HydrophobicContact SD-CD2 4Å; L277-L307 HydrophobicContact CD1-CB 3.49Å; L277-L307 VanDerWaalsContact CD1-CB 3.49Å; L277-L307 HydrophobicContact CD1-CD1 3.59Å; L277-L307 HydrophobicContact CD1-CG 4.1Å; I303-L307 WeakPolarHBondContact O-CB 3.17Å; I303-L307 PolarHBondContact O-N 3.01Å; L304-L307 WeakPolarHBondContact O-CB 3.46Å; L304-L307 PolarHBondContact O-N 3.24Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 2.98Å; L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 3.02Å; L307-C310 PolarHBondContact O-N 3.34Å; L307-L311 HydrophobicContact CD1-CD1 4.09Å; L307-L311 HydrophobicContact CD1-CG 4.31Å; L307-L311 HydrophobicContact CG-CD1 3.95Å; L307-L311 WeakPolarHBondContact O-CB 3.37Å; L307-L311 WeakPolarHBondContact O-CD1 3.4Å; L307-L311 VanDerWaalsContact O-CG 3.25Å; L307-L311 WeakPolarHBondContact O-CG 3.43Å; L307-L311 PolarHBondContact O-N 2.73Å; L307-T342 HydrophobicContact CB-CG2 4.38Å; L307-T342 HydrophobicContact CD2-CG2 3.72Å; L307-T342 HydrophobicContact CG-CG2 4.06Å
308I98.7Very high98.2Very high9 Ų941.2 Ų41.25%0.04621%0.208CC..Hα-helixtrans-60.4-46176.1-65.6151.2000110.4L304 L305 L311 Q312 T342 W343 A346L304-I308 VanDerWaalsContact O-CD1 3.27Å; L304-I308 WeakPolarHBondContact O-CD1 3.4Å; L304-I308 VanDerWaalsContact O-CG1 3.32Å; L304-I308 WeakPolarHBondContact O-CG1 3.41Å; L304-I308 PolarHBondContact O-N 3.22Å; L305-I308 HydrophobicContact CD2-CD1 4.3Å; L305-I308 PolarHBondContact O-N 3.03Å; I308-L311 PolarHBondContact O-N 3.05Å; I308-Q312 HydrophobicContact CG2-CG 4.45Å; I308-Q312 WeakPolarHBondContact O-CG 3.47Å; I308-Q312 PolarHBondContact O-N 2.95Å; I308-T342 HydrophobicContact CD1-CG2 4.09Å; I308-T342 HydrophobicContact CG1-CG2 3.6Å; I308-W343 HydrophobicContact CD1-CB 4.2Å; I308-W343 HydrophobicContact CD1-CE3 3.98Å; I308-W343 HydrophobicContact CG1-CB 4.46Å; I308-A346 HydrophobicContact CD1-CB 4.22Å
309S98.6Very high98.3Very high49 Ų4938.8 Ų38.834%0.34319%0.194SC..Hα-helixtrans-58.4-49.1176178.30000111.8L305 Q306 L307 L311 Q312 C313L305-S309 PolarHBondContact O-N 3.16Å; Q306-S309 WeakPolarHBondContact O-CB 3.36Å; Q306-S309 PolarHBondContact O-N 3.13Å; L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 3.02Å; S309-L311 VanDerWaalsContact C-N 3.31Å; S309-L311 PolarHBondContact O-N 2.94Å; S309-Q312 PolarHBondContact O-N 3.25Å; S309-C313 WeakPolarHBondContact O-CB 3.41Å; S309-C313 PolarHBondContact O-N 3.48Å; S309-C313 PolarHBondContact O-SG 3.31Å; S309-C313 VanDerWaalsContact O-SG 3.38Å
310C98.7Very high98.3Very high8 Ų837.6 Ų37.65%0.05419%0.19CC..Hα-helixtrans-57.2-43.8176.3-75.90000112.2Q306 L307 C313 R314 R315 C316 F327Q306-C310 PolarHBondContact NE2-SG 3.34Å; Q306-C310 VanDerWaalsContact NE2-SG 3.4Å; Q306-C310 PolarHBondContact O-N 2.8Å; Q306-C310 PolarHBondContact O-SG 3.11Å; L307-C310 PolarHBondContact O-N 3.34Å; C310-C313 CarbonylContact O-C 3.58Å; C310-R314 WeakPolarHBondContact O-CA 3.32Å; C310-R314 PolarHBondContact O-N 3.16Å; C310-R315 WeakPolarHBondContact CA-O 3.35Å; C310-R315 WeakPolarHBondContact CB-O 3.3Å; C310-R315 PolarHBondContact O-N 2.87Å; C310-R315 PolarHBondContact SG-O 3.17Å; C310-C316 HydrophobicContact CB-CB 4.29Å; C310-F327 HydrophobicContact CB-CE2 3.97Å; C310-F327 HydrophobicContact CB-CZ 4.45Å; C310-F327 WeakPolarHBondContact O-CE2 3.49Å
311L98.7Very high98.2Very high1 Ų137.8 Ų37.81%0.00519%0.191CC..Hα-helixtrans-65.1-43.8179.9-73.1163.5000111.9L269 L307 I308 S309 R314 F327 L335 A338 A339L269-L311 HydrophobicContact CD1-CD1 4.25Å; L269-L311 HydrophobicContact CD2-CD1 4.32Å; L269-L311 HydrophobicContact CD2-CD2 3.93Å; L269-L311 HydrophobicContact CD2-CG 4.45Å; L307-L311 HydrophobicContact CD1-CD1 4.09Å; L307-L311 HydrophobicContact CD1-CG 4.31Å; L307-L311 HydrophobicContact CG-CD1 3.95Å; L307-L311 WeakPolarHBondContact O-CB 3.37Å; L307-L311 WeakPolarHBondContact O-CD1 3.4Å; L307-L311 VanDerWaalsContact O-CG 3.25Å; L307-L311 WeakPolarHBondContact O-CG 3.43Å; L307-L311 PolarHBondContact O-N 2.73Å; I308-L311 PolarHBondContact O-N 3.05Å; S309-L311 VanDerWaalsContact C-N 3.31Å; S309-L311 PolarHBondContact O-N 2.94Å; L311-R314 PolarHBondContact O-N 2.97Å; L311-F327 HydrophobicContact CD2-CE1 4.2Å; L311-F327 HydrophobicContact CD2-CE2 3.87Å; L311-F327 HydrophobicContact CD2-CZ 3.54Å; L311-F327 HydrophobicContact CG-CE2 4.2Å; L311-F327 HydrophobicContact CG-CZ 3.97Å; L311-L335 HydrophobicContact CD2-CB 4.26Å; L311-L335 HydrophobicContact CD2-CD2 3.95Å; L311-A338 HydrophobicContact CD1-CB 3.96Å; L311-A338 HydrophobicContact CD2-CB 3.86Å; L311-A339 HydrophobicContact CB-CB 3.79Å; L311-A339 HydrophobicContact CD1-CB 4.44Å
312Q98.2Very high98Very high118 Ų11838.1 Ų38.155%0.55120%0.195SC*.Hα-helixtrans-67.1-41177.4-71.5178.6-39.100112.2I308 S309 R314 A339I308-Q312 HydrophobicContact CG2-CG 4.45Å; I308-Q312 WeakPolarHBondContact O-CG 3.47Å; I308-Q312 PolarHBondContact O-N 2.95Å; S309-Q312 PolarHBondContact O-N 3.25Å; Q312-R314 PolarHBondContact O-N 2.94Å; Q312-A339 HydrophobicContact CG-CB 4.05Å
313C97.9Very high97.7Very high90 Ų9044 Ų4461%0.60822%0.223SC*.Hα-helixtrans-75.4-7.6174.5-66.60000113.3S309 C310 R315S309-C313 WeakPolarHBondContact O-CB 3.41Å; S309-C313 PolarHBondContact O-N 3.48Å; S309-C313 PolarHBondContact O-SG 3.31Å; S309-C313 VanDerWaalsContact O-SG 3.38Å; C310-C313 CarbonylContact O-C 3.58Å; C313-R315 PolarHBondContact O-N 3.42Å
314R97.6Very high97.4Very high125 Ų12545.2 Ų45.247%0.47223%0.229SC..THydrogen-bonded Turntrans55.733.6-178.9-52.8168.9-173.7169.92.8112.7C310 L311 Q312 H332 L335C310-R314 WeakPolarHBondContact O-CA 3.32Å; C310-R314 PolarHBondContact O-N 3.16Å; L311-R314 PolarHBondContact O-N 2.97Å; Q312-R314 PolarHBondContact O-N 2.94Å; R314-H332 PolarHBondContact NH1-ND1 3.5Å; R314-L335 HydrophobicContact CB-CD1 4.07Å; R314-L335 HydrophobicContact CG-CD1 4.25Å
315R97.6Very high97.3Very high149 Ų14946.9 Ų46.956%0.56224%0.238SC*.  trans-146.9126.5-178.5-169.8177.2177.8-173.4-1.3110.8C310 C313C310-R315 WeakPolarHBondContact CA-O 3.35Å; C310-R315 WeakPolarHBondContact CB-O 3.3Å; C310-R315 PolarHBondContact O-N 2.87Å; C310-R315 PolarHBondContact SG-O 3.17Å; C313-R315 PolarHBondContact O-N 3.42Å
316C98.1Very high97.2Very high0 Ų044.6 Ų44.60%023%0.226CC..  trans-135.489173.9-1730000108.1C310 D325 L326 F327C310-C316 HydrophobicContact CB-CB 4.29Å; C316-D325 PolarHBondContact N-OD1 2.65Å; C316-L326 HydrophobicContact CB-CB 4.32Å; C316-L326 VanDerWaalsContact O-CB 3.3Å; C316-L326 WeakPolarHBondContact O-CB 3.23Å; C316-L326 WeakPolarHBondContact O-CG 3.33Å; C316-L326 PolarHBondContact O-N 3.43Å; C316-F327 HydrophobicContact CB-CD1 4.15Å; C316-F327 HydrophobicContact CB-CD2 3.71Å; C316-F327 HydrophobicContact CB-CE1 4.02Å; C316-F327 HydrophobicContact CB-CE2 3.57Å; C316-F327 HydrophobicContact CB-CG 4Å; C316-F327 HydrophobicContact CB-CZ 3.73Å
317P97.5Very high97.1Very high31 Ų3142.3 Ų42.320%0.20122%0.215CC..BIsolated β-bridgetrans-65.2141-176.427.1-33000111.2T276 Y280 L324T276-P317 WeakPolarHBondContact CG2-O 3.14Å; Y280-P317 HydrophobicContact CE2-CG 4.26Å; Y280-P317 VanDerWaalsContact CE2-O 3.29Å; Y280-P317 WeakPolarHBondContact CE2-O 3.24Å; Y280-P317 PolarHBondContact OH-O 3.39Å; P317-L324 CarbonylContact C-O 3.52Å; P317-L324 WeakPolarHBondContact CA-O 3.28Å
318H97.9Very high96.8Very high6 Ų646 Ų463%0.02823%0.233CC..  trans-62.3139.5170.5-178.8-64.8000110F234 Y272 Y280 F320 L321 L324 L326F234-H318 AromaticContact CD2-CE1 3.84Å; Y272-H318 AromaticContact CE1-CD2 3.87Å; Y272-H318 AromaticContact CZ-NE2 3.92Å; Y272-H318 PolarHBondContact OH-CD2 2.87Å; Y272-H318 PolarHBondContact OH-CE1 2.93Å; Y272-H318 PolarHBondContact OH-NE2 3.05Å; Y280-H318 PolarHBondContact OH-O 3.44Å; H318-F320 PolarHBondContact ND1-N 3.27Å; H318-L321 HydrophobicContact CB-CB 4.15Å; H318-L321 WeakPolarHBondContact CB-O 3.47Å; H318-L321 PolarHBondContact ND1-N 3.26Å; H318-L321 CarbonylContact O-C 3.54Å; H318-L321 PolarHBondContact O-N 2.68Å; H318-L324 HydrophobicContact CB-CB 4.04Å; H318-L324 HydrophobicContact CB-CD2 4.17Å; H318-L324 HydrophobicContact CB-CG 4.33Å; H318-L324 PolarHBondContact N-O 3.31Å; H318-L326 HydrophobicContact CB-CD2 3.92Å; H318-L326 HydrophobicContact CB-CG 4.27Å
319Y98.5Very high96.4Very high11 Ų1148.6 Ų48.64%0.04326%0.261CS..SBendtrans-59.6-57-171.5-176.9-107.5000113.6W187 W194 L241 L279 Y280 E283W187-Y319 AromaticContact CD1-CE1 3.89Å; W187-Y319 AromaticContact CD1-CZ 3.98Å; W187-Y319 AromaticContact NE1-CE1 3.46Å; W187-Y319 AromaticContact NE1-CZ 3.53Å; W187-Y319 PolarHBondContact NE1-OH 3.31Å; W194-Y319 WeakPolarHBondContact CZ3-OH 3.34Å; L241-Y319 HydrophobicContact CD2-CD1 4.36Å; L241-Y319 HydrophobicContact CD2-CE1 3.53Å; L279-Y319 HydrophobicContact CB-CD1 4Å; L279-Y319 HydrophobicContact CB-CD2 3.52Å; L279-Y319 HydrophobicContact CB-CE1 4.21Å; L279-Y319 HydrophobicContact CB-CE2 3.77Å; L279-Y319 HydrophobicContact CB-CG 3.66Å; L279-Y319 HydrophobicContact CD1-CD1 3.73Å; L279-Y319 HydrophobicContact CD1-CE1 4.43Å; L279-Y319 HydrophobicContact CD1-CG 3.78Å; L279-Y319 HydrophobicContact CD2-CD1 4.42Å; L279-Y319 HydrophobicContact CD2-CE1 4.33Å; L279-Y319 HydrophobicContact CG-CD1 4.27Å; L279-Y319 HydrophobicContact CG-CG 4.28Å; Y280-Y319 HydrophobicContact CD1-CD2 4.02Å; Y280-Y319 HydrophobicContact CD1-CE2 4.23Å; Y280-Y319 HydrophobicContact CD2-CD2 4.2Å; Y280-Y319 AromaticContact CE1-CD2 3.97Å; Y280-Y319 HydrophobicContact CE1-CD2 3.97Å; Y280-Y319 HydrophobicContact CE1-CE2 4.4Å; Y280-Y319 HydrophobicContact CE2-CD2 4.13Å; Y280-Y319 HydrophobicContact CG-CD2 4.14Å; E283-Y319 HydrophobicContact CG-CE2 4.04Å; E283-Y319 VanDerWaalsContact OE1-CE2 3.25Å; E283-Y319 WeakPolarHBondContact OE1-CE2 3.25Å; E283-Y319 VanDerWaalsContact OE1-CZ 3.26Å; E283-Y319 PolarHBondContact OE1-OH 2.86Å
320F98.1Very high96.2Very high0 Ų048.1 Ų48.10%025%0.253CS..SBendtrans-78.7-17.2178-66.4-62.4000114.5W180 A184 Q186 W187 V203 F234 E238 L241 H318 P322W180-F320 HydrophobicContact CH2-CE1 4.34Å; W180-F320 HydrophobicContact CH2-CZ 4.36Å; W180-F320 AromaticContact CZ2-CD1 3.88Å; W180-F320 HydrophobicContact CZ2-CD1 3.88Å; W180-F320 AromaticContact CZ2-CE1 3.96Å; W180-F320 HydrophobicContact CZ2-CE1 3.96Å; W180-F320 HydrophobicContact CZ2-CG 4.28Å; W180-F320 HydrophobicContact CZ2-CZ 4.42Å; A184-F320 WeakPolarHBondContact CA-O 3.33Å; A184-F320 HydrophobicContact CB-CB 4.14Å; Q186-F320 PolarHBondContact NE2-O 2.96Å; W187-F320 HydrophobicContact CB-CD1 4.18Å; W187-F320 AromaticContact CD2-CD1 3.95Å; W187-F320 HydrophobicContact CD2-CD1 3.95Å; W187-F320 AromaticContact CD2-CE1 3.54Å; W187-F320 HydrophobicContact CD2-CE1 3.54Å; W187-F320 AromaticContact CE2-CE1 3.66Å; W187-F320 HydrophobicContact CE3-CD1 4.38Å; W187-F320 AromaticContact CE3-CE1 3.86Å; W187-F320 HydrophobicContact CE3-CE1 3.86Å; W187-F320 AromaticContact CG-CD1 3.81Å; W187-F320 HydrophobicContact CG-CD1 3.81Å; W187-F320 AromaticContact CG-CE1 3.88Å; W187-F320 HydrophobicContact CG-CE1 3.88Å; W187-F320 HydrophobicContact CH2-CE1 4.37Å; W187-F320 HydrophobicContact CZ2-CE1 4.09Å; W187-F320 HydrophobicContact CZ3-CE1 4.25Å; W187-F320 AromaticContact NE1-CE1 3.98Å; V203-F320 HydrophobicContact CG1-CZ 4.1Å; F234-F320 HydrophobicContact CB-CD2 3.66Å; F234-F320 HydrophobicContact CB-CE2 3.79Å; F234-F320 AromaticContact CD1-CD2 3.97Å; F234-F320 HydrophobicContact CD1-CD2 3.97Å; F234-F320 HydrophobicContact CD1-CE2 4.4Å; F234-F320 HydrophobicContact CD1-CG 4.42Å; F234-F320 HydrophobicContact CD2-CB 4.27Å; F234-F320 AromaticContact CD2-CD2 3.94Å; F234-F320 HydrophobicContact CD2-CD2 3.94Å; F234-F320 HydrophobicContact CE2-CB 4.12Å; F234-F320 AromaticContact CG-CD2 3.59Å; F234-F320 HydrophobicContact CG-CD2 3.59Å; F234-F320 HydrophobicContact CG-CE2 4.13Å; F234-F320 HydrophobicContact CG-CG 4.34Å; F234-F320 HydrophobicContact CZ-CB 4.24Å; E238-F320 HydrophobicContact CG-CD2 4.27Å; E238-F320 HydrophobicContact CG-CE2 3.62Å; L241-F320 HydrophobicContact CD2-CE1 4.27Å; L241-F320 HydrophobicContact CD2-CZ 3.85Å; H318-F320 PolarHBondContact ND1-N 3.27Å; F320-P322 WeakPolarHBondContact O-CD 3.41Å
321L96.6Very high96Very high6 Ų650.8 Ų50.83%0.03127%0.27CS..  trans-128.572.2-169.3-60.2-177.7000109.2S183 A184 L232 F234 H318 N323 L324S183-L321 WeakPolarHBondContact OG-CD2 3.37Å; A184-L321 HydrophobicContact CB-CD2 4.03Å; L232-L321 HydrophobicContact CB-CD1 4.1Å; L232-L321 HydrophobicContact CD1-CD1 4.06Å; L232-L321 HydrophobicContact CD1-CD2 4.31Å; F234-L321 HydrophobicContact CE2-CD1 3.9Å; F234-L321 HydrophobicContact CE2-CD2 4.3Å; F234-L321 HydrophobicContact CE2-CG 3.93Å; F234-L321 HydrophobicContact CZ-CD2 4.31Å; F234-L321 HydrophobicContact CZ-CG 4.42Å; H318-L321 HydrophobicContact CB-CB 4.15Å; H318-L321 WeakPolarHBondContact CB-O 3.47Å; H318-L321 PolarHBondContact ND1-N 3.26Å; H318-L321 CarbonylContact O-C 3.54Å; H318-L321 PolarHBondContact O-N 2.68Å; L321-N323 PolarHBondContact O-N 2.78Å; L321-L324 HydrophobicContact CB-CB 4.22Å; L321-L324 WeakPolarHBondContact O-CB 3.19Å; L321-L324 PolarHBondContact O-N 3.08Å
322P93.7Very high95.9Very high48 Ų4855.9 Ų55.931%0.31229%0.293SS..THydrogen-bonded Turntrans-62.9-16.1-168.425.6-35.2000114.6F320 L324F320-P322 WeakPolarHBondContact O-CD 3.41Å; P322-L324 VanDerWaalsContact C-N 3.34Å
323N91.6Very high95.9Very high141 Ų14154.6 Ų54.675%0.75430%0.297SS*.THydrogen-bonded Turntrans-80.2-13.1174.3-66-21.7000113.5L321L321-N323 PolarHBondContact O-N 2.78Å
324L93.9Very high95.9Very high24 Ų2450.7 Ų50.713%0.12627%0.272CS..SBendtrans-94.4121.7175.1-177.767000109.3P317 H318 L321 P322P317-L324 CarbonylContact C-O 3.52Å; P317-L324 WeakPolarHBondContact CA-O 3.28Å; H318-L324 HydrophobicContact CB-CB 4.04Å; H318-L324 HydrophobicContact CB-CD2 4.17Å; H318-L324 HydrophobicContact CB-CG 4.33Å; H318-L324 PolarHBondContact N-O 3.31Å; L321-L324 HydrophobicContact CB-CB 4.22Å; L321-L324 WeakPolarHBondContact O-CB 3.19Å; L321-L324 PolarHBondContact O-N 3.08Å; P322-L324 VanDerWaalsContact C-N 3.34Å
325D95.6Very high95.9Very high40 Ų4044.9 Ų44.921%0.21425%0.25CC..BIsolated β-bridgetrans-96.1122.6174.717934.5000110.7C316 F327 Q328C316-D325 PolarHBondContact N-OD1 2.65Å; D325-F327 PolarHBondContact O-N 3.2Å; D325-F327 PolarHBondContact OD1-N 3.19Å; D325-Q328 HydrophobicContact CB-CB 4.46Å; D325-Q328 WeakPolarHBondContact O-CB 3.34Å; D325-Q328 PolarHBondContact O-N 2.68Å; D325-Q328 VanDerWaalsContact O-N 3.12Å; D325-Q328 PolarHBondContact OD2-N 3.48Å
326L96.3Very high95.9Very high28 Ų2841.3 Ų41.315%0.14724%0.24CC..THydrogen-bonded Turntrans-72.2-16.4-178.5-57.3179.8000112.8Y272 H273 T276 C316 H318 Q328Y272-L326 HydrophobicContact CD1-CD1 3.97Å; Y272-L326 HydrophobicContact CD1-CD2 4.11Å; Y272-L326 HydrophobicContact CE1-CD1 3.98Å; Y272-L326 HydrophobicContact CE1-CD2 3.88Å; H273-L326 PolarHBondContact NE2-O 2.69Å; T276-L326 HydrophobicContact CG2-CD1 3.85Å; T276-L326 WeakPolarHBondContact OG1-CD1 3.31Å; C316-L326 HydrophobicContact CB-CB 4.32Å; C316-L326 VanDerWaalsContact O-CB 3.3Å; C316-L326 WeakPolarHBondContact O-CB 3.23Å; C316-L326 WeakPolarHBondContact O-CG 3.33Å; C316-L326 PolarHBondContact O-N 3.43Å; H318-L326 HydrophobicContact CB-CD2 3.92Å; H318-L326 HydrophobicContact CB-CG 4.27Å; L326-Q328 VanDerWaalsContact C-N 3.35Å
327F96.7Very high95.9Very high5 Ų543.8 Ų43.82%0.02226%0.257CS..THydrogen-bonded Turntrans-89.91.7172.2-66.6-23.1000113.9L269 H273 C310 L311 C316 D325 G329 K330 L335L269-F327 HydrophobicContact CD2-CE1 4.05Å; L269-F327 HydrophobicContact CD2-CZ 4.2Å; H273-F327 AromaticContact CE1-CD1 3.92Å; H273-F327 AromaticContact CE1-CE1 3.67Å; H273-F327 AromaticContact ND1-CE1 3.79Å; H273-F327 AromaticContact NE2-CD1 3.96Å; H273-F327 AromaticContact NE2-CE1 3.93Å; C310-F327 HydrophobicContact CB-CE2 3.97Å; C310-F327 HydrophobicContact CB-CZ 4.45Å; C310-F327 WeakPolarHBondContact O-CE2 3.49Å; L311-F327 HydrophobicContact CD2-CE1 4.2Å; L311-F327 HydrophobicContact CD2-CE2 3.87Å; L311-F327 HydrophobicContact CD2-CZ 3.54Å; L311-F327 HydrophobicContact CG-CE2 4.2Å; L311-F327 HydrophobicContact CG-CZ 3.97Å; C316-F327 HydrophobicContact CB-CD1 4.15Å; C316-F327 HydrophobicContact CB-CD2 3.71Å; C316-F327 HydrophobicContact CB-CE1 4.02Å; C316-F327 HydrophobicContact CB-CE2 3.57Å; C316-F327 HydrophobicContact CB-CG 4Å; C316-F327 HydrophobicContact CB-CZ 3.73Å; D325-F327 PolarHBondContact O-N 3.2Å; D325-F327 PolarHBondContact OD1-N 3.19Å; F327-G329 PolarHBondContact O-N 3.27Å; F327-K330 VanDerWaalsContact O-CB 3.3Å; F327-K330 WeakPolarHBondContact O-CB 3.36Å; F327-K330 WeakPolarHBondContact O-CG 3.47Å; F327-K330 PolarHBondContact O-N 3.32Å; F327-L335 HydrophobicContact CB-CD1 4.13Å; F327-L335 HydrophobicContact CB-CD2 4.3Å; F327-L335 HydrophobicContact CD1-CD2 4Å; F327-L335 HydrophobicContact CD2-CD1 4.3Å; F327-L335 HydrophobicContact CD2-CD2 4.2Å; F327-L335 HydrophobicContact CE1-CD2 4.35Å; F327-L335 HydrophobicContact CG-CD1 4.34Å; F327-L335 HydrophobicContact CG-CD2 3.92Å
328Q93Very high96Very high78 Ų7842.3 Ų42.336%0.36425%0.248SC..THydrogen-bonded Turntrans-56.3132.4176.2-173.9166.611.600111.3D325 L326 K330D325-Q328 HydrophobicContact CB-CB 4.46Å; D325-Q328 WeakPolarHBondContact O-CB 3.34Å; D325-Q328 PolarHBondContact O-N 2.68Å; D325-Q328 VanDerWaalsContact O-N 3.12Å; D325-Q328 PolarHBondContact OD2-N 3.48Å; L326-Q328 VanDerWaalsContact C-N 3.35Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 3.25Å
329G90.4Very high96Very high62 Ų6242.2 Ų42.264%0.63925%0.247SC*.THydrogen-bonded Turntrans80-3.9-178.400000115F327F327-G329 PolarHBondContact O-N 3.27Å
330K93.8Very high96Very high40 Ų4048 Ų4817%0.17427%0.273CS..  trans-83.4134.1176.2-56.5-61.5-1801710110.7Q267 F327 Q328 H332 L335Q267-K330 WeakPolarHBondContact O-CE 3.44Å; Q267-K330 PolarHBondContact O-NZ 3.5Å; F327-K330 VanDerWaalsContact O-CB 3.3Å; F327-K330 WeakPolarHBondContact O-CB 3.36Å; F327-K330 WeakPolarHBondContact O-CG 3.47Å; F327-K330 PolarHBondContact O-N 3.32Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 3.25Å; K330-H332 PolarHBondContact O-N 3.44Å; K330-L335 HydrophobicContact CB-CD2 3.88Å; K330-L335 HydrophobicContact CB-CG 4.26Å; K330-L335 HydrophobicContact CG-CD2 4.5Å
331P94.5Very high96Very high63 Ų6351.5 Ų51.541%0.40929%0.289SS..  trans-66.8133178.225.3-30.5000110.3S333 A334 L335P331-S333 PolarHBondContact O-N 2.97Å; P331-S333 VanDerWaalsContact O-N 3.12Å; P331-A334 HydrophobicContact CG-CB 3.78Å; P331-A334 WeakPolarHBondContact O-CB 3.35Å; P331-A334 PolarHBondContact O-N 3.09Å; P331-L335 PolarHBondContact O-N 2.86Å
332H96.6Very high96.1Very high108 Ų10851.2 Ų51.250%0.529%0.288SS..Hα-helixtrans-56.3-32.6-177.8-67172.9000113.1R314 K330 A334 L335 E336R314-H332 PolarHBondContact NH1-ND1 3.5Å; K330-H332 PolarHBondContact O-N 3.44Å; H332-A334 VanDerWaalsContact C-N 3.33Å; H332-A334 PolarHBondContact O-N 2.78Å; H332-L335 PolarHBondContact O-N 2.73Å; H332-E336 PolarHBondContact O-N 3.12Å
333S97.5Very high96.4Very high91 Ų9155.1 Ų55.164%0.63630%0.296SS*.Hα-helixtrans-63-36.3175.353.40000112.9P331 S337P331-S333 PolarHBondContact O-N 2.97Å; P331-S333 VanDerWaalsContact O-N 3.12Å; S333-S337 WeakPolarHBondContact O-CB 3.39Å; S333-S337 PolarHBondContact O-N 2.99Å
334A98Very high96.7Very high9 Ų955.5 Ų55.57%0.07429%0.287CS..Hα-helixtrans-71.4-38.1174.900000111.5P268 P331 H332 S337 A338P268-A334 HydrophobicContact CB-CB 4.12Å; P268-A334 HydrophobicContact CG-CB 4.31Å; P331-A334 HydrophobicContact CG-CB 3.78Å; P331-A334 WeakPolarHBondContact O-CB 3.35Å; P331-A334 PolarHBondContact O-N 3.09Å; H332-A334 VanDerWaalsContact C-N 3.33Å; H332-A334 PolarHBondContact O-N 2.78Å; A334-S337 PolarHBondContact O-N 2.96Å; A334-A338 WeakPolarHBondContact O-CB 3.33Å; A334-A338 PolarHBondContact O-N 3.43Å
335L98.5Very high96.9Very high2 Ų254.8 Ų54.81%0.0128%0.284CS..Hα-helixtrans-62.7-43.3174.9-58.5-179.1000111.4P268 L311 R314 F327 K330 P331 H332 A338 A339P268-L335 HydrophobicContact CB-CD2 3.96Å; L311-L335 HydrophobicContact CD2-CB 4.26Å; L311-L335 HydrophobicContact CD2-CD2 3.95Å; R314-L335 HydrophobicContact CB-CD1 4.07Å; R314-L335 HydrophobicContact CG-CD1 4.25Å; F327-L335 HydrophobicContact CB-CD1 4.13Å; F327-L335 HydrophobicContact CB-CD2 4.3Å; F327-L335 HydrophobicContact CD1-CD2 4Å; F327-L335 HydrophobicContact CD2-CD1 4.3Å; F327-L335 HydrophobicContact CD2-CD2 4.2Å; F327-L335 HydrophobicContact CE1-CD2 4.35Å; F327-L335 HydrophobicContact CG-CD1 4.34Å; F327-L335 HydrophobicContact CG-CD2 3.92Å; K330-L335 HydrophobicContact CB-CD2 3.88Å; K330-L335 HydrophobicContact CB-CG 4.26Å; K330-L335 HydrophobicContact CG-CD2 4.5Å; P331-L335 PolarHBondContact O-N 2.86Å; H332-L335 PolarHBondContact O-N 2.73Å; L335-A338 PolarHBondContact O-N 3.46Å; L335-A339 PolarHBondContact O-N 2.67Å
336E98.1Very high97Very high74 Ų7453.1 Ų53.135%0.34628%0.275SS..Hα-helixtrans-63.7-43176.1-17761.1-149.400112H332 A338 A339 K340H332-E336 PolarHBondContact O-N 3.12Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.41Å; E336-A339 PolarHBondContact O-N 3.44Å; E336-K340 WeakPolarHBondContact O-CG 3.38Å; E336-K340 PolarHBondContact O-N 2.86Å; E336-K340 VanDerWaalsContact O-N 3.13Å; E336-K340 VanDerWaalsContact OE1-CE 3.24Å; E336-K340 WeakPolarHBondContact OE1-CE 3.49Å; E336-K340 IonicContact OE1-NZ 3.68Å
337S98.1Very high97Very high53 Ų5358.3 Ų58.337%0.37129%0.293SS..Hα-helixtrans-61-43.2174.5-173.60000111.6S333 A334 K340 Q341S333-S337 WeakPolarHBondContact O-CB 3.39Å; S333-S337 PolarHBondContact O-N 2.99Å; A334-S337 PolarHBondContact O-N 2.96Å; S337-K340 PolarHBondContact O-N 3.29Å; S337-Q341 PolarHBondContact O-N 3.3Å; S337-Q341 VanDerWaalsContact O-N 3.08Å
338A98.6Very high97Very high0 Ų061.8 Ų61.80%031%0.309CS..Hα-helixtrans-62.3-43.4174.700000112L264 P268 L269 L311 A334 L335 E336 K340 Q341 T342L264-A338 VanDerWaalsContact CD1-CA 3.47Å; L264-A338 HydrophobicContact CD1-CB 3.76Å; P268-A338 HydrophobicContact CB-CB 4.06Å; P268-A338 HydrophobicContact CG-CB 3.73Å; L269-A338 HydrophobicContact CD1-CB 4.08Å; L269-A338 HydrophobicContact CG-CB 4.24Å; L311-A338 HydrophobicContact CD1-CB 3.96Å; L311-A338 HydrophobicContact CD2-CB 3.86Å; A334-A338 WeakPolarHBondContact O-CB 3.33Å; A334-A338 PolarHBondContact O-N 3.43Å; L335-A338 PolarHBondContact O-N 3.46Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.41Å; A338-K340 VanDerWaalsContact C-N 3.3Å; A338-K340 PolarHBondContact O-N 3.25Å; A338-Q341 PolarHBondContact O-N 2.89Å; A338-T342 WeakPolarHBondContact O-CB 3.28Å; A338-T342 PolarHBondContact O-N 2.84Å; A338-T342 PolarHBondContact O-OG1 3.38Å
339A98.6Very high97.2Very high3 Ų358.4 Ų58.43%0.02529%0.294CS..Hα-helixtrans-56.6-46177.400000111.3L311 Q312 L335 E336 W343L311-A339 HydrophobicContact CB-CB 3.79Å; L311-A339 HydrophobicContact CD1-CB 4.44Å; Q312-A339 HydrophobicContact CG-CB 4.05Å; L335-A339 PolarHBondContact O-N 2.67Å; E336-A339 PolarHBondContact O-N 3.44Å; A339-W343 WeakPolarHBondContact O-CB 3.45Å; A339-W343 PolarHBondContact O-N 3.39Å
340K98.4Very high97.4Very high134 Ų13460 Ų6058%0.58329%0.287SS*.Hα-helixtrans-62.1-44.5178-69.8174.8-175.5174.30112.3E336 S337 A338 R344E336-K340 WeakPolarHBondContact O-CG 3.38Å; E336-K340 PolarHBondContact O-N 2.86Å; E336-K340 VanDerWaalsContact O-N 3.13Å; E336-K340 VanDerWaalsContact OE1-CE 3.24Å; E336-K340 WeakPolarHBondContact OE1-CE 3.49Å; E336-K340 IonicContact OE1-NZ 3.68Å; S337-K340 PolarHBondContact O-N 3.29Å; A338-K340 VanDerWaalsContact C-N 3.3Å; A338-K340 PolarHBondContact O-N 3.25Å; K340-R344 WeakPolarHBondContact O-CB 3.39Å; K340-R344 PolarHBondContact O-N 2.95Å
341Q98.4Very high97.5Very high73 Ų7363.5 Ų63.534%0.34131%0.311SS..Hα-helixtrans-71.4-40.3179.6-67.5-62.910.200112.8L262 L264 S337 A338 W343 R344 L345L262-Q341 HydrophobicContact CD2-CB 4.11Å; L264-Q341 HydrophobicContact CD1-CB 4.24Å; L264-Q341 HydrophobicContact CD1-CG 4.32Å; L264-Q341 HydrophobicContact CD2-CG 4.21Å; S337-Q341 PolarHBondContact O-N 3.3Å; S337-Q341 VanDerWaalsContact O-N 3.08Å; A338-Q341 PolarHBondContact O-N 2.89Å; Q341-W343 VanDerWaalsContact C-N 3.35Å; Q341-W343 PolarHBondContact O-N 3.17Å; Q341-R344 PolarHBondContact O-N 3.09Å; Q341-L345 WeakPolarHBondContact O-CB 3.28Å; Q341-L345 PolarHBondContact O-N 3.33Å
342T98.6Very high97.5Very high0 Ų064 Ų640%031%0.311CS..Hα-helixtrans-62.7-42.2174.1-54.80000111.1L304 L307 I308 A338 L345 A346L304-T342 HydrophobicContact CD2-CG2 4.28Å; L307-T342 HydrophobicContact CB-CG2 4.38Å; L307-T342 HydrophobicContact CD2-CG2 3.72Å; L307-T342 HydrophobicContact CG-CG2 4.06Å; I308-T342 HydrophobicContact CD1-CG2 4.09Å; I308-T342 HydrophobicContact CG1-CG2 3.6Å; A338-T342 WeakPolarHBondContact O-CB 3.28Å; A338-T342 PolarHBondContact O-N 2.84Å; A338-T342 PolarHBondContact O-OG1 3.38Å; T342-L345 PolarHBondContact O-N 2.86Å; T342-A346 VanDerWaalsContact O-CB 3.3Å; T342-A346 WeakPolarHBondContact O-CB 3.26Å; T342-A346 PolarHBondContact O-N 2.91Å
343W98.5Very high97.5Very high129 Ų12959.4 Ų59.449%0.48929%0.291SS..Hα-helixtrans-60.8-45.9173.6174.5-108000112.4L305 I308 A339 Q341 L345 A346 R347L305-W343 HydrophobicContact CD2-CZ3 4.14Å; I308-W343 HydrophobicContact CD1-CB 4.2Å; I308-W343 HydrophobicContact CD1-CE3 3.98Å; I308-W343 HydrophobicContact CG1-CB 4.46Å; A339-W343 WeakPolarHBondContact O-CB 3.45Å; A339-W343 PolarHBondContact O-N 3.39Å; Q341-W343 VanDerWaalsContact C-N 3.35Å; Q341-W343 PolarHBondContact O-N 3.17Å; W343-L345 VanDerWaalsContact C-N 3.34Å; W343-L345 PolarHBondContact O-N 3.07Å; W343-A346 PolarHBondContact O-N 3.42Å; W343-R347 WeakPolarHBondContact O-CB 3.45Å; W343-R347 PolarHBondContact O-N 3.13Å
344R98.1Very high97.5Very high150 Ų15061 Ų6157%0.56629%0.286SS*.Hα-helixtrans-57.2-48.4176.8-179.2-178.7175.6165.90.1111.2K340 Q341 E348K340-R344 WeakPolarHBondContact O-CB 3.39Å; K340-R344 PolarHBondContact O-N 2.95Å; Q341-R344 PolarHBondContact O-N 3.09Å; R344-E348 WeakPolarHBondContact O-CB 3.41Å; R344-E348 PolarHBondContact O-N 3.26Å
345L98Very high97.4Very high9 Ų961 Ų615%0.04729%0.285CS..Hα-helixtrans-63.1-50.1179.6-177.963.6000111.8L257 H261 L262 Q341 T342 W343 R347 E348 I349 L359L257-L345 HydrophobicContact CB-CD2 4.22Å; L257-L345 HydrophobicContact CD2-CD1 4.39Å; L257-L345 HydrophobicContact CD2-CD2 4.33Å; H261-L345 HydrophobicContact CB-CD1 4.46Å; H261-L345 HydrophobicContact CB-CD2 4.03Å; L262-L345 HydrophobicContact CD1-CD2 4.41Å; L262-L345 HydrophobicContact CD2-CD2 4.43Å; L262-L345 HydrophobicContact CG-CD2 4.35Å; Q341-L345 WeakPolarHBondContact O-CB 3.28Å; Q341-L345 PolarHBondContact O-N 3.33Å; T342-L345 PolarHBondContact O-N 2.86Å; W343-L345 VanDerWaalsContact C-N 3.34Å; W343-L345 PolarHBondContact O-N 3.07Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 3.2Å; L345-E348 PolarHBondContact O-N 2.86Å; L345-I349 HydrophobicContact CD1-CD1 4.12Å; L345-I349 HydrophobicContact CG-CD1 4Å; L345-I349 WeakPolarHBondContact O-CG1 3.34Å; L345-I349 PolarHBondContact O-N 3.38Å; L345-L359 HydrophobicContact CD1-CD1 3.68Å; L345-L359 HydrophobicContact CD1-CD2 3.74Å; L345-L359 HydrophobicContact CD1-CG 4.33Å
346A97.9Very high97.4Very high4 Ų461 Ų613%0.03329%0.285CS..Hα-helixtrans-60.3-43.9179.400000111.6L304 I308 T342 W343 E348 I349 L350L304-A346 HydrophobicContact CB-CB 4.05Å; L304-A346 HydrophobicContact CD1-CB 4.08Å; I308-A346 HydrophobicContact CD1-CB 4.22Å; T342-A346 VanDerWaalsContact O-CB 3.3Å; T342-A346 WeakPolarHBondContact O-CB 3.26Å; T342-A346 PolarHBondContact O-N 2.91Å; W343-A346 PolarHBondContact O-N 3.42Å; A346-E348 VanDerWaalsContact C-N 3.35Å; A346-E348 PolarHBondContact O-N 2.94Å; A346-I349 PolarHBondContact O-N 3.28Å; A346-L350 WeakPolarHBondContact O-CB 3.39Å; A346-L350 PolarHBondContact O-N 3.1Å
347R97.4Very high97.2Very high138 Ų13859.5 Ų59.552%0.52128%0.28SS..Hα-helixtrans-62.1-41.3177.1-173.3178.768.1-179.51.1111.8W343 L345 T351W343-R347 WeakPolarHBondContact O-CB 3.45Å; W343-R347 PolarHBondContact O-N 3.13Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 3.2Å; R347-T351 WeakPolarHBondContact O-CB 3.35Å; R347-T351 PolarHBondContact O-N 2.89Å; R347-T351 PolarHBondContact O-OG1 2.77Å
348E97.1Very high97Very high78 Ų7865.7 Ų65.736%0.36430%0.3SS..Hα-helixtrans-65.9-43.6178.2-174.9173178.200112.1R344 L345 A346 N352 S355R344-E348 WeakPolarHBondContact O-CB 3.41Å; R344-E348 PolarHBondContact O-N 3.26Å; L345-E348 PolarHBondContact O-N 2.86Å; A346-E348 VanDerWaalsContact C-N 3.35Å; A346-E348 PolarHBondContact O-N 2.94Å; E348-N352 CarbonylContact O-C 3.5Å; E348-N352 PolarHBondContact O-N 3.21Å; E348-N352 VanDerWaalsContact O-N 3.08Å; E348-S355 PolarHBondContact O-OG 3.13Å
349I96.7Very high96.7Very high7 Ų766.4 Ų66.44%0.03630%0.304CS..Hα-helixtrans-62.9-46.4176.5-67.5168.7000110.7L8 L257 L304 L345 A346 N352 P353 L356 L359L8-I349 HydrophobicContact CD1-CG2 3.8Å; L257-I349 HydrophobicContact CD1-CD1 3.9Å; L257-I349 HydrophobicContact CD2-CD1 4.17Å; L304-I349 HydrophobicContact CD1-CD1 4.35Å; L345-I349 HydrophobicContact CD1-CD1 4.12Å; L345-I349 HydrophobicContact CG-CD1 4Å; L345-I349 WeakPolarHBondContact O-CG1 3.34Å; L345-I349 PolarHBondContact O-N 3.38Å; A346-I349 PolarHBondContact O-N 3.28Å; I349-N352 CarbonylContact O-C 3.6Å; I349-P353 VanDerWaalsContact O-CA 3.3Å; I349-P353 WeakPolarHBondContact O-CA 3.17Å; I349-L356 HydrophobicContact CD1-CD2 4.18Å; I349-L356 HydrophobicContact CG1-CD2 4.07Å; I349-L356 HydrophobicContact CG1-CG 4.43Å; I349-L356 HydrophobicContact CG2-CD1 4.38Å; I349-L359 HydrophobicContact CD1-CD1 4.18Å; I349-L359 HydrophobicContact CG1-CD1 3.71Å
350L94.8Very high96.7Very high96 Ų9669.6 Ų69.650%0.50332%0.317SS..Hα-helixtrans-72.2-38.9-175.7-172.662.7000112.5A346A346-L350 WeakPolarHBondContact O-CB 3.39Å; A346-L350 PolarHBondContact O-N 3.1Å
351T95.1Very high96.6Very high112 Ų11266.2 Ų66.269%0.68730%0.304SS*.Hα-helixtrans-75.1-38-177-56.60000111.5R347R347-T351 WeakPolarHBondContact O-CB 3.35Å; R347-T351 PolarHBondContact O-N 2.89Å; R347-T351 PolarHBondContact O-OG1 2.77Å
352N95.3Very high96.5Very high75 Ų7565.8 Ų65.840%0.40130%0.301SS..  trans-143.489.9177.9178.721000110.2E348 I349 K354 S355E348-N352 CarbonylContact O-C 3.5Å; E348-N352 PolarHBondContact O-N 3.21Å; E348-N352 VanDerWaalsContact O-N 3.08Å; I349-N352 CarbonylContact O-C 3.6Å; N352-K354 PolarHBondContact O-N 3.41Å; N352-K354 WeakPolarHBondContact OD1-CB 3.39Å; N352-K354 PolarHBondContact OD1-N 3.2Å; N352-S355 VanDerWaalsContact O-CB 3.24Å; N352-S355 WeakPolarHBondContact O-CB 3.29Å; N352-S355 PolarHBondContact O-N 2.97Å; N352-S355 PolarHBondContact O-OG 3.05Å
353P96.1Very high96.3Very high11 Ų1169.6 Ų69.67%0.07132%0.319CS..G310 helixtrans-56.6-21.2-178.6-28.734.9000115.1L8 Q11 I349 S355 L356L8-P353 HydrophobicContact CB-CB 4.29Å; L8-P353 HydrophobicContact CB-CG 3.93Å; L8-P353 HydrophobicContact CD1-CB 3.92Å; L8-P353 HydrophobicContact CD1-CG 3.98Å; Q11-P353 HydrophobicContact CB-CB 3.98Å; Q11-P353 WeakPolarHBondContact CB-O 3.27Å; Q11-P353 HydrophobicContact CG-CB 3.9Å; Q11-P353 WeakPolarHBondContact CG-O 3.5Å; I349-P353 VanDerWaalsContact O-CA 3.3Å; I349-P353 WeakPolarHBondContact O-CA 3.17Å; P353-S355 PolarHBondContact O-N 3.35Å; P353-L356 WeakPolarHBondContact O-CB 3.46Å; P353-L356 WeakPolarHBondContact O-CD1 3.49Å; P353-L356 PolarHBondContact O-N 3.04Å
354K96.8Very high96.2Very high125 Ų12565.9 Ų65.954%0.54331%0.309SS..G310 helixtrans-66.2-16.8174.7-168.8175.9178.1177.70112.7N352 L356 D357N352-K354 PolarHBondContact O-N 3.41Å; N352-K354 WeakPolarHBondContact OD1-CB 3.39Å; N352-K354 PolarHBondContact OD1-N 3.2Å; K354-L356 PolarHBondContact O-N 3.25Å; K354-D357 WeakPolarHBondContact O-CB 3.44Å; K354-D357 PolarHBondContact O-N 3.45Å; K354-D357 VanDerWaalsContact O-N 3.13Å
355S96.8Very high96.1Very high7 Ų760.3 Ų60.35%0.04929%0.291CS..G310 helixtrans-56.9-28.7173.260.80000112.6E348 N352 P353 D357 K358 L359E348-S355 PolarHBondContact O-OG 3.13Å; N352-S355 VanDerWaalsContact O-CB 3.24Å; N352-S355 WeakPolarHBondContact O-CB 3.29Å; N352-S355 PolarHBondContact O-N 2.97Å; N352-S355 PolarHBondContact O-OG 3.05Å; P353-S355 PolarHBondContact O-N 3.35Å; S355-D357 PolarHBondContact O-N 2.93Å; S355-D357 VanDerWaalsContact O-N 3.1Å; S355-K358 PolarHBondContact O-N 3.39Å; S355-L359 PolarHBondContact O-N 2.94Å
356L97Very high95.9Very high2 Ų264 Ų641%0.0131%0.309CS..G310 helixtrans-54.5-28.3175.2-73.4165.3000113.2Q11 L12 Y15 L257 I349 P353 K354 K358 L359Q11-L356 HydrophobicContact CB-CD1 3.85Å; L12-L356 HydrophobicContact CD2-CD1 3.55Å; L12-L356 HydrophobicContact CD2-CD2 4.28Å; L12-L356 HydrophobicContact CG-CD1 3.92Å; Y15-L356 HydrophobicContact CD2-CB 3.89Å; Y15-L356 HydrophobicContact CD2-CD2 3.73Å; Y15-L356 HydrophobicContact CD2-CG 4.41Å; Y15-L356 VanDerWaalsContact CD2-O 3.28Å; Y15-L356 WeakPolarHBondContact CD2-O 3.22Å; Y15-L356 HydrophobicContact CE2-CD2 4.08Å; Y15-L356 HydrophobicContact CG-CB 4.46Å; Y15-L356 HydrophobicContact CG-CD2 4Å; L257-L356 HydrophobicContact CD2-CD2 4.49Å; I349-L356 HydrophobicContact CD1-CD2 4.18Å; I349-L356 HydrophobicContact CG1-CD2 4.07Å; I349-L356 HydrophobicContact CG1-CG 4.43Å; I349-L356 HydrophobicContact CG2-CD1 4.38Å; P353-L356 WeakPolarHBondContact O-CB 3.46Å; P353-L356 WeakPolarHBondContact O-CD1 3.49Å; P353-L356 PolarHBondContact O-N 3.04Å; K354-L356 PolarHBondContact O-N 3.25Å; L356-K358 PolarHBondContact O-N 2.94Å; L356-L359 HydrophobicContact CD2-CD1 4.07Å; L356-L359 PolarHBondContact O-N 2.89Å
357D95Very high95.8Very high44 Ų4468.6 Ų68.624%0.23533%0.33CS..G310 helixtrans-60-27.7174.6-74-22.1000112.7K14 R19 K354 S355K14-D357 WeakPolarHBondContact CE-OD1 3.33Å; K14-D357 IonicContact NZ-OD1 2.71Å; K14-D357 PolarHBondContact NZ-OD1 3.37Å; K14-D357 IonicContact NZ-OD2 3.5Å; R19-D357 PolarHBondContact NH2-O 3.15Å; K354-D357 WeakPolarHBondContact O-CB 3.44Å; K354-D357 PolarHBondContact O-N 3.45Å; K354-D357 VanDerWaalsContact O-N 3.13Å; S355-D357 PolarHBondContact O-N 2.93Å; S355-D357 VanDerWaalsContact O-N 3.1Å
358K92.9Very high95.6Very high182 Ų18262.8 Ų62.879%0.79131%0.314SS*.THydrogen-bonded Turntrans-100.4-23.4-179.2-62.9-175.1-180-176.80112.7S355 L356S355-K358 PolarHBondContact O-N 3.39Å; L356-K358 PolarHBondContact O-N 2.94Å
359L93.9Very high95.5Very high15 Ų1561.5 Ų61.58%0.07931%0.31CS..  trans-65.70-176.2-70.8174.8000112.4Y15 R19 R260 H261 L345 I349 S355 L356Y15-L359 HydrophobicContact CE2-CB 4.03Å; Y15-L359 VanDerWaalsContact CE2-O 3.25Å; Y15-L359 WeakPolarHBondContact CE2-O 2.89Å; R19-L359 PolarHBondContact NH1-O 3.44Å; R260-L359 VanDerWaalsContact NE-C 3.3Å; R260-L359 PolarHBondContact NE-O 3.14Å; R260-L359 PolarHBondContact NE-OXT 2.99Å; R260-L359 PolarHBondContact NH2-O 3.1Å; R260-L359 PolarHBondContact NH2-OXT 2.71Å; H261-L359 PolarHBondContact CE1-OXT 3.28Å; H261-L359 WeakPolarHBondContact NE2-CB 3.33Å; H261-L359 PolarHBondContact NE2-OXT 3.42Å; L345-L359 HydrophobicContact CD1-CD1 3.68Å; L345-L359 HydrophobicContact CD1-CD2 3.74Å; L345-L359 HydrophobicContact CD1-CG 4.33Å; I349-L359 HydrophobicContact CD1-CD1 4.18Å; I349-L359 HydrophobicContact CG1-CD1 3.71Å; S355-L359 PolarHBondContact O-N 2.94Å; L356-L359 HydrophobicContact CD2-CD1 4.07Å; L356-L359 PolarHBondContact O-N 2.89Å

Retrieved 359 of 359 residues in 71.1 ms (Link to these results)

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