A0A096ML90_PAPAN Loading...

Mab-21 like 2

AlphaFold DB (Q9Y586), UniProt , Accession A0A096ML90, Species PAPAN (Papio anubis, Olive baboon), 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
1M64.6Low90.2Very high212 Ų21285.1 Ų85.1100%1.04447%0.466SS*.  0-49.50-80.5-173-9000112.8A3 A4 Q5M1-A3 PolarHBondContact O-N 2.69Å; M1-A4 PolarHBondContact O-N 2.9Å; M1-A4 VanDerWaalsContact O-N 3.13Å; M1-Q5 PolarHBondContact O-N 3.5Å
2I81.5Confident90.8Very high143 Ų14378 Ų7873%0.73343%0.427SS*.Hα-helixtrans-52.2-46.8-177.1-59169.3000113.5A4 Q5 A6I2-A4 PolarHBondContact O-N 3.19Å; I2-Q5 PolarHBondContact O-N 3.01Å; I2-A6 WeakPolarHBondContact O-CB 3.48Å; I2-A6 PolarHBondContact O-N 3.26Å
3A87.8Confident91.4Very high82 Ų8275.4 Ų75.468%0.67841%0.412SS*.Hα-helixtrans-64-36-17900000113.9M1 K7M1-A3 PolarHBondContact O-N 2.69Å; A3-K7 WeakPolarHBondContact O-CB 3.4Å; A3-K7 PolarHBondContact O-N 2.96Å
4A90.2Very high91.9Very high68 Ų6874.5 Ų74.556%0.56240%0.403SS*.Hα-helixtrans-71.6-42.617900000111.3M1 I2 K7 L8M1-A4 PolarHBondContact O-N 2.9Å; M1-A4 VanDerWaalsContact O-N 3.13Å; I2-A4 PolarHBondContact O-N 3.19Å; A4-K7 PolarHBondContact O-N 3.24Å; A4-L8 PolarHBondContact O-N 3.3Å
5Q89.4Confident92.3Very high69 Ų6969.8 Ų69.832%0.32238%0.377SS..Hα-helixtrans-62.9-47.1175.7-168.3-174.56.800111M1 I2 K7 L8 V9 D298M1-Q5 PolarHBondContact O-N 3.5Å; I2-Q5 PolarHBondContact O-N 3.01Å; Q5-K7 VanDerWaalsContact C-N 3.32Å; Q5-K7 PolarHBondContact O-N 3.28Å; Q5-L8 PolarHBondContact O-N 2.96Å; Q5-L8 VanDerWaalsContact O-N 3.15Å; Q5-V9 WeakPolarHBondContact O-CG2 3.35Å; Q5-V9 PolarHBondContact O-N 3.45Å; Q5-D298 PolarHBondContact NE2-OD2 3.04Å
6A93.5Very high92.7Very high58 Ų5867.9 Ų67.948%0.47936%0.363SS..Hα-helixtrans-59.4-41.6175.800000112.1I2 V9 Y10I2-A6 WeakPolarHBondContact O-CB 3.48Å; I2-A6 PolarHBondContact O-N 3.26Å; A6-V9 PolarHBondContact O-N 3.05Å; A6-Y10 WeakPolarHBondContact O-CB 3.28Å; A6-Y10 PolarHBondContact O-N 3.19Å
7K95.6Very high93Very high102 Ų10269.4 Ų69.444%0.44338%0.375SS..Hα-helixtrans-62.7-41.9175.3-174.3-179.8179.1-176.10112A3 A4 Q5 Q11A3-K7 WeakPolarHBondContact O-CB 3.4Å; A3-K7 PolarHBondContact O-N 2.96Å; A4-K7 PolarHBondContact O-N 3.24Å; Q5-K7 VanDerWaalsContact C-N 3.32Å; Q5-K7 PolarHBondContact O-N 3.28Å; K7-Q11 VanDerWaalsContact O-CG 3.3Å; K7-Q11 WeakPolarHBondContact O-CG 3.17Å; K7-Q11 PolarHBondContact O-N 3.34Å; K7-Q11 VanDerWaalsContact O-N 3.1Å
8L96.7Very high93.3Very high12 Ų1270.4 Ų70.46%0.06338%0.377CS..Hα-helixtrans-63.9-48.4176.6177.159.5000111.6A4 Q5 Y10 Q11 L12 I349 P353A4-L8 PolarHBondContact O-N 3.3Å; Q5-L8 PolarHBondContact O-N 2.96Å; Q5-L8 VanDerWaalsContact O-N 3.15Å; L8-Y10 VanDerWaalsContact C-N 3.32Å; L8-Y10 PolarHBondContact O-N 3.33Å; L8-Q11 PolarHBondContact O-N 2.65Å; 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 3.37Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.05Å; L8-I349 HydrophobicContact CD1-CG2 3.81Å; 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 high93.6Very high20 Ų2070 Ų7012%0.12137%0.37CS..Hα-helixtrans-60.5-41.5178.1173.80000111.4Q5 A6 L12 N13 S294Q5-V9 WeakPolarHBondContact O-CG2 3.35Å; Q5-V9 PolarHBondContact O-N 3.45Å; A6-V9 PolarHBondContact O-N 3.05Å; V9-L12 PolarHBondContact O-N 3.27Å; V9-N13 WeakPolarHBondContact CG1-ND2 3.46Å; V9-N13 PolarHBondContact O-N 3.01Å; V9-N13 PolarHBondContact O-ND2 3.31Å; V9-S294 VanDerWaalsContact CG2-O 3.29Å; V9-S294 WeakPolarHBondContact CG2-O 3.17Å
10Y97.5Very high93.8Very high152 Ų15266.6 Ų66.660%0.59635%0.352SS*.Hα-helixtrans-59.2-50.6175.1174.4-94.7000111.8A6 L8 L12 N13 K14A6-Y10 WeakPolarHBondContact O-CB 3.28Å; A6-Y10 PolarHBondContact O-N 3.19Å; L8-Y10 VanDerWaalsContact C-N 3.32Å; L8-Y10 PolarHBondContact O-N 3.33Å; Y10-L12 VanDerWaalsContact C-N 3.33Å; Y10-L12 PolarHBondContact O-N 2.97Å; Y10-N13 PolarHBondContact O-N 3Å; Y10-K14 PolarHBondContact O-N 3.07Å
11Q97.9Very high94Very high18 Ų1867.1 Ų67.18%0.08435%0.352CS..Hα-helixtrans-66.3-35-179-67.2-66.2-18.600112.3K7 L8 K14 Y15 P353 L356K7-Q11 VanDerWaalsContact O-CG 3.3Å; K7-Q11 WeakPolarHBondContact O-CG 3.17Å; K7-Q11 PolarHBondContact O-N 3.34Å; K7-Q11 VanDerWaalsContact O-N 3.1Å; L8-Q11 PolarHBondContact O-N 2.65Å; Q11-K14 PolarHBondContact O-N 3.46Å; Q11-Y15 WeakPolarHBondContact O-CB 3.28Å; Q11-Y15 PolarHBondContact O-N 3.47Å; Q11-P353 HydrophobicContact CB-CB 3.98Å; Q11-P353 VanDerWaalsContact CB-O 3.32Å; Q11-P353 WeakPolarHBondContact CB-O 3.3Å; Q11-P353 HydrophobicContact CG-CB 3.9Å; Q11-P353 WeakPolarHBondContact CG-O 3.48Å; Q11-L356 HydrophobicContact CB-CD1 3.84Å
12L98.1Very high95.6Very high0 Ų059.8 Ų59.80%033%0.326CS..Hα-helixtrans-68.2-39.4174.7-74.4173.6000113L8 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 3.37Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.05Å; V9-L12 PolarHBondContact O-N 3.27Å; Y10-L12 VanDerWaalsContact C-N 3.33Å; Y10-L12 PolarHBondContact O-N 2.97Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-Y15 PolarHBondContact O-N 3.47Å; L12-Y16 WeakPolarHBondContact O-CB 3.09Å; L12-Y16 PolarHBondContact O-N 2.95Å; L12-V253 HydrophobicContact CD2-CG1 4.11Å; L12-L296 HydrophobicContact CB-CD2 3.91Å; L12-L296 HydrophobicContact CB-CG 4.43Å; L12-L296 HydrophobicContact CD1-CG 4.22Å; L12-L300 HydrophobicContact CD1-CB 4.47Å; L12-L300 HydrophobicContact CD1-CD2 3.8Å; L12-L300 HydrophobicContact CD2-CD2 3.33Å; L12-L300 HydrophobicContact CG-CD2 4.22Å; L12-L356 HydrophobicContact CD2-CD1 3.55Å; L12-L356 HydrophobicContact CD2-CD2 4.27Å; L12-L356 HydrophobicContact CG-CD1 3.91Å
13N98.1Very high96.4Very high44 Ų4454.8 Ų54.824%0.23530%0.298CS..Hα-helixtrans-65.9-38.5174-81.5-69.1000111.4V9 Y10 Y16 T17 K249V9-N13 WeakPolarHBondContact CG1-ND2 3.46Å; V9-N13 PolarHBondContact O-N 3.01Å; V9-N13 PolarHBondContact O-ND2 3.31Å; Y10-N13 PolarHBondContact O-N 3Å; N13-Y16 PolarHBondContact O-N 2.81Å; N13-T17 PolarHBondContact O-N 3.34Å; N13-T17 PolarHBondContact O-OG1 3.49Å; N13-T17 VanDerWaalsContact O-OG1 3.13Å; N13-K249 PolarHBondContact OD1-NZ 2.88Å
14K98.3Very high96.8Very high63 Ų6354.5 Ų54.527%0.27428%0.281SS..Hα-helixtrans-60.8-50.3171.5-173.7-176.4174.8-166.90111.5Y10 Q11 L12 Y16 T17 E18 D357Y10-K14 PolarHBondContact O-N 3.07Å; Q11-K14 PolarHBondContact O-N 3.46Å; L12-K14 VanDerWaalsContact C-N 3.33Å; K14-Y16 PolarHBondContact O-N 3.42Å; K14-T17 PolarHBondContact O-N 2.97Å; K14-T17 VanDerWaalsContact O-N 3.16Å; K14-E18 WeakPolarHBondContact CE-OE1 3.17Å; K14-E18 HydrophobicContact CG-CG 4.44Å; K14-E18 WeakPolarHBondContact CG-OE1 3.42Å; K14-E18 PolarHBondContact O-N 2.9Å; K14-D357 WeakPolarHBondContact CE-OD1 3.2Å; K14-D357 IonicContact NZ-OD1 2.71Å; K14-D357 PolarHBondContact NZ-OD1 3.26Å; K14-D357 IonicContact NZ-OD2 3.5Å
15Y98.6Very high97.2Very high4 Ų454.3 Ų54.32%0.01628%0.279CS..Hα-helixtrans-56.1-40.3175.7-170-91.8000112.4Q11 L12 R19 C20 V253 T256 L257 L356 L359Q11-Y15 WeakPolarHBondContact O-CB 3.28Å; Q11-Y15 PolarHBondContact O-N 3.47Å; L12-Y15 PolarHBondContact O-N 3.47Å; Y15-R19 HydrophobicContact CD1-CB 4.28Å; Y15-R19 HydrophobicContact CD2-CB 4.24Å; Y15-R19 HydrophobicContact CD2-CG 3.77Å; Y15-R19 HydrophobicContact CE1-CB 4.03Å; Y15-R19 HydrophobicContact CE2-CB 4.03Å; Y15-R19 HydrophobicContact CE2-CG 3.67Å; Y15-R19 HydrophobicContact CG-CB 4.37Å; Y15-R19 HydrophobicContact CG-CG 4.31Å; Y15-R19 WeakPolarHBondContact O-CA 3.33Å; Y15-R19 WeakPolarHBondContact O-CB 3.4Å; Y15-R19 PolarHBondContact O-N 3.26Å; Y15-C20 PolarHBondContact O-N 2.59Å; Y15-C20 VanDerWaalsContact O-N 3.16Å; Y15-V253 HydrophobicContact CD1-CG1 4.17Å; Y15-V253 HydrophobicContact CE1-CG1 4.37Å; Y15-T256 HydrophobicContact CE1-CG2 3.81Å; Y15-L257 HydrophobicContact CE1-CD2 4.26Å; Y15-L257 HydrophobicContact CE1-CG 4.33Å; Y15-L257 HydrophobicContact CE2-CD2 4.47Å; Y15-L356 HydrophobicContact CD2-CB 3.89Å; Y15-L356 HydrophobicContact CD2-CD2 3.73Å; Y15-L356 HydrophobicContact CD2-CG 4.4Å; Y15-L356 VanDerWaalsContact CD2-O 3.28Å; Y15-L356 WeakPolarHBondContact CD2-O 3.19Å; Y15-L356 HydrophobicContact CE2-CD2 4.06Å; Y15-L356 HydrophobicContact CG-CB 4.46Å; Y15-L356 HydrophobicContact CG-CD2 4Å; Y15-L359 HydrophobicContact CE2-CB 4.06Å; Y15-L359 VanDerWaalsContact CE2-O 3.23Å; Y15-L359 WeakPolarHBondContact CE2-O 3.26Å
16Y98.6Very high97.6Very high39 Ų3953.7 Ų53.715%0.15329%0.286CS..Iπ-helixtrans-63.4-50.9175.7179-99.1000111.7L12 N13 K14 E18 C20 Q21 K24 K249 V253L12-Y16 WeakPolarHBondContact O-CB 3.09Å; L12-Y16 PolarHBondContact O-N 2.95Å; N13-Y16 PolarHBondContact O-N 2.81Å; K14-Y16 PolarHBondContact O-N 3.42Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E18 PolarHBondContact O-N 3.32Å; Y16-C20 HydrophobicContact CD2-CB 3.74Å; Y16-C20 HydrophobicContact CE2-CB 4.25Å; Y16-C20 HydrophobicContact CG-CB 4.35Å; Y16-C20 VanDerWaalsContact O-CB 3.23Å; Y16-C20 WeakPolarHBondContact O-CB 3.39Å; Y16-C20 PolarHBondContact O-N 3.01Å; Y16-Q21 VanDerWaalsContact CE1-NE2 3.28Å; Y16-Q21 PolarHBondContact O-N 3.42Å; Y16-Q21 VanDerWaalsContact O-N 3.07Å; Y16-Q21 PolarHBondContact OH-NE2 3.37Å; Y16-K24 PolarHBondContact OH-NZ 3.2Å; Y16-K249 HydrophobicContact CD1-CD 4.3Å; Y16-K249 HydrophobicContact CD1-CG 4.11Å; Y16-K249 HydrophobicContact CD2-CD 4.48Å; Y16-K249 HydrophobicContact CD2-CG 3.52Å; Y16-K249 HydrophobicContact CE1-CG 4.23Å; Y16-K249 HydrophobicContact CE2-CB 4.26Å; Y16-K249 HydrophobicContact CE2-CG 3.68Å; Y16-K249 HydrophobicContact CG-CD 4.24Å; Y16-K249 HydrophobicContact CG-CG 3.75Å; Y16-V253 HydrophobicContact CD2-CG2 4.34Å
17T98.2Very high97.8Very high93 Ų9351.4 Ų51.457%0.57127%0.266SS*.Iπ-helixtrans-65.1-34.5-178.9-61.30000112.8N13 K14 Q21N13-T17 PolarHBondContact O-N 3.34Å; N13-T17 PolarHBondContact O-OG1 3.49Å; N13-T17 VanDerWaalsContact O-OG1 3.13Å; K14-T17 PolarHBondContact O-N 2.97Å; K14-T17 VanDerWaalsContact O-N 3.16Å; T17-Q21 VanDerWaalsContact O-CB 3.26Å; T17-Q21 WeakPolarHBondContact O-CB 3.15Å; T17-Q21 VanDerWaalsContact O-CG 3.29Å; T17-Q21 WeakPolarHBondContact O-CG 3.35Å
18E98Very high97.8Very high88 Ų8848.5 Ų48.541%0.41126%0.261SS..Iπ-helixtrans-89.9-67.5-178.9-65.6176-177.400111.6K14 Y16 A22K14-E18 WeakPolarHBondContact CE-OE1 3.17Å; K14-E18 HydrophobicContact CG-CG 4.44Å; K14-E18 WeakPolarHBondContact CG-OE1 3.42Å; K14-E18 PolarHBondContact O-N 2.9Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E18 PolarHBondContact O-N 3.32Å; E18-A22 WeakPolarHBondContact O-CB 3.39Å; E18-A22 PolarHBondContact O-N 3.1Å; E18-A22 VanDerWaalsContact O-N 3.09Å
19R98Very high97.8Very high63 Ų6355.4 Ų55.424%0.23829%0.29CS..Iπ-helixtrans-77.4-43.8-169.8-53.9-57.4-179103.5-10.5112Y15 R23 T256 D357 L359Y15-R19 HydrophobicContact CD1-CB 4.28Å; Y15-R19 HydrophobicContact CD2-CB 4.24Å; Y15-R19 HydrophobicContact CD2-CG 3.77Å; Y15-R19 HydrophobicContact CE1-CB 4.03Å; Y15-R19 HydrophobicContact CE2-CB 4.03Å; Y15-R19 HydrophobicContact CE2-CG 3.67Å; Y15-R19 HydrophobicContact CG-CB 4.37Å; Y15-R19 HydrophobicContact CG-CG 4.31Å; Y15-R19 WeakPolarHBondContact O-CA 3.33Å; Y15-R19 WeakPolarHBondContact O-CB 3.4Å; Y15-R19 PolarHBondContact O-N 3.26Å; R19-R23 WeakPolarHBondContact O-CB 3.46Å; R19-R23 PolarHBondContact O-N 3.17Å; R19-T256 HydrophobicContact CB-CG2 4.08Å; R19-D357 PolarHBondContact NH2-O 3.16Å; R19-L359 PolarHBondContact NH1-O 2.91Å
20C98.4Very high97.8Very high1 Ų155.1 Ų55.11%0.00729%0.289CS..Iπ-helixtrans-72.1-37.2-178.3-56.10000111.8Y15 Y16 R23 K24 T256Y15-C20 PolarHBondContact O-N 2.59Å; 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 4.35Å; Y16-C20 VanDerWaalsContact O-CB 3.23Å; Y16-C20 WeakPolarHBondContact O-CB 3.39Å; Y16-C20 PolarHBondContact O-N 3.01Å; C20-R23 PolarHBondContact O-N 3.31Å; C20-K24 WeakPolarHBondContact O-CG 3.28Å; C20-K24 PolarHBondContact O-N 3.34Å; C20-T256 PolarHBondContact SG-OG1 3.42Å
21Q98.2Very high97.8Very high78 Ų7849 Ų4936%0.36427%0.266SS..Hα-helixtrans-69-42.5174.4-62.7-59.2-22.300112Y16 T17 R23 K24 A25Y16-Q21 VanDerWaalsContact CE1-NE2 3.28Å; Y16-Q21 PolarHBondContact O-N 3.42Å; Y16-Q21 VanDerWaalsContact O-N 3.07Å; Y16-Q21 PolarHBondContact OH-NE2 3.37Å; T17-Q21 VanDerWaalsContact O-CB 3.26Å; T17-Q21 WeakPolarHBondContact O-CB 3.15Å; T17-Q21 VanDerWaalsContact O-CG 3.29Å; T17-Q21 WeakPolarHBondContact O-CG 3.35Å; Q21-R23 VanDerWaalsContact C-N 3.29Å; Q21-R23 PolarHBondContact O-N 3.03Å; Q21-K24 PolarHBondContact O-N 3.29Å; Q21-K24 VanDerWaalsContact O-N 3.16Å; Q21-A25 WeakPolarHBondContact O-CB 3.4Å; Q21-A25 PolarHBondContact O-N 2.76Å
22A98Very high97.7Very high59 Ų5954.8 Ų54.849%0.48829%0.287SS..Hα-helixtrans-58-43.7173.800000111.5E18 A25 A26E18-A22 WeakPolarHBondContact O-CB 3.39Å; E18-A22 PolarHBondContact O-N 3.1Å; E18-A22 VanDerWaalsContact O-N 3.09Å; A22-A25 PolarHBondContact O-N 2.74Å; A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.23Å
23R98Very high97.6Very high38 Ų3856.9 Ų56.914%0.14330%0.297CS..Hα-helixtrans-58.3-49.3173.1179.8-172.8-179.9-79.8-5.8111.9R19 C20 Q21 A25 A26 I27 T256 D259 N271R19-R23 WeakPolarHBondContact O-CB 3.46Å; R19-R23 PolarHBondContact O-N 3.17Å; C20-R23 PolarHBondContact O-N 3.31Å; Q21-R23 VanDerWaalsContact C-N 3.29Å; Q21-R23 PolarHBondContact O-N 3.03Å; R23-A25 PolarHBondContact O-N 3.46Å; R23-A26 PolarHBondContact O-N 3.44Å; R23-I27 HydrophobicContact CG-CD1 3.71Å; R23-I27 HydrophobicContact CG-CG1 4.48Å; R23-I27 WeakPolarHBondContact O-CB 3.12Å; R23-I27 VanDerWaalsContact O-CG1 3.29Å; R23-I27 WeakPolarHBondContact O-CG1 3.5Å; R23-I27 PolarHBondContact O-N 2.56Å; R23-T256 WeakPolarHBondContact CD-OG1 3.36Å; R23-D259 IonicContact CZ-OD2 3.24Å; R23-D259 IonicContact NE-OD2 3.79Å; R23-D259 PolarHBondContact NE-OD2 3.3Å; R23-D259 IonicContact NH2-OD1 2.74Å; R23-D259 IonicContact NH2-OD2 3.48Å; R23-D259 PolarHBondContact NH2-OD2 3.49Å; R23-N271 PolarHBondContact NH2-ND2 2.98Å
24K97.1Very high97.6Very high75 Ų7554.8 Ų54.833%0.32629%0.286SS..Hα-helixtrans-59.7-45.7178.8-75.7175.3-178.1-177.80111.7Y16 C20 Q21 I27 A28 S252Y16-K24 PolarHBondContact OH-NZ 3.2Å; C20-K24 WeakPolarHBondContact O-CG 3.28Å; C20-K24 PolarHBondContact O-N 3.34Å; Q21-K24 PolarHBondContact O-N 3.29Å; Q21-K24 VanDerWaalsContact O-N 3.16Å; K24-I27 PolarHBondContact O-N 3.08Å; K24-A28 VanDerWaalsContact O-CB 3.28Å; K24-A28 WeakPolarHBondContact O-CB 3.42Å; K24-A28 PolarHBondContact O-N 3.25Å; K24-S252 WeakPolarHBondContact CE-OG 3.25Å; K24-S252 PolarHBondContact NZ-OG 2.87Å
25A97.4Very high97.5Very high64 Ų6451.9 Ų51.953%0.52927%0.273SS..Hα-helixtrans-64.5-44.1179.100000112.3Q21 A22 R23 A28 K29Q21-A25 WeakPolarHBondContact O-CB 3.4Å; Q21-A25 PolarHBondContact O-N 2.76Å; A22-A25 PolarHBondContact O-N 2.74Å; R23-A25 PolarHBondContact O-N 3.46Å; A25-A28 PolarHBondContact O-N 3.38Å; A25-K29 PolarHBondContact O-N 3.02Å
26A97.9Very high97.4Very high56 Ų5658 Ų5846%0.46330%0.3SS..Hα-helixtrans-62.2-47.8176.800000111.6A22 R23 A28 K29 T30A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.23Å; R23-A26 PolarHBondContact O-N 3.44Å; A26-A28 PolarHBondContact O-N 3.47Å; A26-K29 WeakPolarHBondContact O-CB 3.36Å; A26-K29 PolarHBondContact O-N 2.98Å; A26-T30 PolarHBondContact O-N 3.47Å; A26-T30 PolarHBondContact O-OG1 3.15Å
27I97.5Very high97.4Very high10 Ų1056.4 Ų56.45%0.05129%0.294CS..Hα-helixtrans-63.7-42.6178.1-69.7174.2000110.9R23 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 3.12Å; R23-I27 VanDerWaalsContact O-CG1 3.29Å; R23-I27 WeakPolarHBondContact O-CG1 3.5Å; R23-I27 PolarHBondContact O-N 2.56Å; K24-I27 PolarHBondContact O-N 3.08Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-K29 PolarHBondContact O-N 2.86Å; I27-T30 PolarHBondContact O-N 2.96Å; I27-T30 VanDerWaalsContact O-N 3.14Å; I27-I31 HydrophobicContact CG2-CD1 3.63Å; I27-I31 HydrophobicContact CG2-CG1 4.07Å; I27-I31 WeakPolarHBondContact O-CB 3.13Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.5Å; I27-I31 PolarHBondContact O-N 3.15Å; I27-V68 HydrophobicContact CD1-CG1 4.09Å; I27-V68 HydrophobicContact CG2-CG1 4.04Å; I27-V68 HydrophobicContact CG2-CG2 4Å; I27-P71 HydrophobicContact CG1-CB 4.4Å; I27-F74 HydrophobicContact CG2-CE1 4.17Å
28A96.4Very high97.4Very high42 Ų4252 Ų5235%0.34727%0.267SS..Hα-helixtrans-60.3-39.4176.900000112.3K24 A25 A26 I31 R32K24-A28 VanDerWaalsContact O-CB 3.28Å; K24-A28 WeakPolarHBondContact O-CB 3.42Å; K24-A28 PolarHBondContact O-N 3.25Å; A25-A28 PolarHBondContact O-N 3.38Å; A26-A28 PolarHBondContact O-N 3.47Å; A28-I31 PolarHBondContact O-N 2.91Å; A28-R32 PolarHBondContact O-N 3Å
29K96.4Very high97.3Very high156 Ų15649.8 Ų49.868%0.67826%0.262SS*.Hα-helixtrans-62.1-46.6173.1-179179.3176.8178.90111.4A25 A26 I27 R32 E33A25-K29 PolarHBondContact O-N 3.02Å; A26-K29 WeakPolarHBondContact O-CB 3.36Å; A26-K29 PolarHBondContact O-N 2.98Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-K29 PolarHBondContact O-N 2.86Å; K29-R32 PolarHBondContact O-N 3.14Å; K29-E33 PolarHBondContact O-N 2.98Å
30T97.4Very high97.3Very high15 Ų1548 Ų489%0.09226%0.257CS..Hα-helixtrans-63.5-41.4177.5-61.80000112.2A26 I27 R32 E33 V34 F74 Y166A26-T30 PolarHBondContact O-N 3.47Å; A26-T30 PolarHBondContact O-OG1 3.15Å; I27-T30 PolarHBondContact O-N 2.96Å; I27-T30 VanDerWaalsContact O-N 3.14Å; T30-R32 PolarHBondContact O-N 2.81Å; T30-E33 WeakPolarHBondContact O-CB 3.28Å; T30-E33 PolarHBondContact O-N 3.28Å; T30-E33 VanDerWaalsContact O-N 3.15Å; T30-V34 HydrophobicContact CG2-CG2 4.18Å; T30-V34 WeakPolarHBondContact O-CB 3.33Å; T30-V34 WeakPolarHBondContact O-CG2 3.32Å; T30-V34 PolarHBondContact O-N 2.74Å; T30-F74 HydrophobicContact CG2-CE2 3.66Å; T30-F74 HydrophobicContact CG2-CZ 3.56Å; T30-Y166 HydrophobicContact CG2-CD1 3.66Å; T30-Y166 HydrophobicContact CG2-CD2 4.37Å; T30-Y166 HydrophobicContact CG2-CE1 3.46Å; T30-Y166 VanDerWaalsContact CG2-CE1 3.46Å; T30-Y166 HydrophobicContact CG2-CE2 4.2Å; T30-Y166 HydrophobicContact CG2-CG 4.11Å
31I97.7Very high97.3Very high23 Ų2348 Ų4812%0.11826%0.256CS..Hα-helixtrans-58.1-47.8177.9-74.7173.1000110.8I27 A28 E33 V34 C35 Y63 L66 V68 F74I27-I31 HydrophobicContact CG2-CD1 3.63Å; I27-I31 HydrophobicContact CG2-CG1 4.07Å; I27-I31 WeakPolarHBondContact O-CB 3.13Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.5Å; I27-I31 PolarHBondContact O-N 3.15Å; A28-I31 PolarHBondContact O-N 2.91Å; I31-E33 PolarHBondContact O-N 3.41Å; I31-V34 PolarHBondContact O-N 3.44Å; I31-C35 VanDerWaalsContact O-CB 3.29Å; I31-C35 WeakPolarHBondContact O-CB 3.26Å; I31-C35 PolarHBondContact O-N 2.67Å; I31-C35 PolarHBondContact O-SG 3.18Å; I31-Y63 HydrophobicContact CG2-CD2 3.44Å; I31-Y63 VanDerWaalsContact CG2-CD2 3.44Å; I31-Y63 HydrophobicContact CG2-CE2 3.71Å; I31-Y63 HydrophobicContact CG2-CG 4.35Å; I31-L66 HydrophobicContact CB-CD2 4.2Å; I31-L66 HydrophobicContact CD1-CD2 3.68Å; I31-L66 HydrophobicContact CG1-CD2 3.77Å; I31-L66 HydrophobicContact CG2-CD2 3.4Å; I31-V68 HydrophobicContact CD1-CG2 3.88Å; I31-F74 HydrophobicContact CD1-CE1 4.26Å; I31-F74 HydrophobicContact CG1-CD1 4.09Å; I31-F74 HydrophobicContact CG1-CE1 3.61Å; I31-F74 HydrophobicContact CG1-CZ 4.34Å
32R95.7Very high97.3Very high139 Ų13944.2 Ų44.253%0.52524%0.239SC..Hα-helixtrans-60-34.6178.1-70.3178.9-173.1160.33112.9A28 K29 T30 K36A28-R32 PolarHBondContact O-N 3Å; K29-R32 PolarHBondContact O-N 3.14Å; T30-R32 PolarHBondContact O-N 2.81Å; R32-K36 VanDerWaalsContact O-CG 3.3Å; R32-K36 WeakPolarHBondContact O-CG 3.23Å; R32-K36 PolarHBondContact O-N 3.39Å
33E95.5Very high97.3Very high45 Ų4547.8 Ų47.821%0.2124%0.243CC..Hα-helixtrans-70.8-49.4176.4-177.5-179173.200111.1K29 T30 I31 K36 R163K29-E33 PolarHBondContact O-N 2.98Å; T30-E33 WeakPolarHBondContact O-CB 3.28Å; T30-E33 PolarHBondContact O-N 3.28Å; T30-E33 VanDerWaalsContact O-N 3.15Å; I31-E33 PolarHBondContact O-N 3.41Å; E33-K36 PolarHBondContact O-N 3.27Å; E33-R163 WeakPolarHBondContact OE1-CD 3.5Å; E33-R163 IonicContact OE1-CZ 3.41Å; E33-R163 IonicContact OE1-NE 3.03Å; E33-R163 PolarHBondContact OE1-NE 3.06Å; E33-R163 IonicContact OE1-NH1 3.65Å; E33-R163 PolarHBondContact OE1-NH1 2.79Å
34V97.4Very high97.3Very high0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-60.6-49.2178.7157.30000111.7T30 I31 K36 V37 V38 F74 I162 Y166 V168T30-V34 HydrophobicContact CG2-CG2 4.18Å; T30-V34 WeakPolarHBondContact O-CB 3.33Å; T30-V34 WeakPolarHBondContact O-CG2 3.32Å; T30-V34 PolarHBondContact O-N 2.74Å; I31-V34 PolarHBondContact O-N 3.44Å; V34-K36 VanDerWaalsContact C-N 3.28Å; V34-K36 PolarHBondContact O-N 3.41Å; V34-V37 PolarHBondContact O-N 3.37Å; V34-V37 VanDerWaalsContact O-N 3.12Å; V34-V38 HydrophobicContact CG1-CG2 4.15Å; V34-V38 WeakPolarHBondContact O-CG2 3.29Å; V34-V38 PolarHBondContact O-N 3.24Å; V34-F74 HydrophobicContact CG1-CD2 4.46Å; V34-F74 HydrophobicContact CG2-CD2 4.22Å; V34-F74 HydrophobicContact CG2-CE2 4.14Å; V34-I162 HydrophobicContact CB-CD1 4.43Å; V34-I162 HydrophobicContact CG1-CD1 4.32Å; V34-I162 HydrophobicContact CG2-CD1 4.21Å; V34-Y166 HydrophobicContact CG2-CD2 4.19Å; V34-Y166 HydrophobicContact CG2-CG 4.18Å; V34-V168 HydrophobicContact CB-CG2 4.36Å; V34-V168 HydrophobicContact CG1-CB 4.38Å; V34-V168 HydrophobicContact CG1-CG1 4.15Å; V34-V168 HydrophobicContact CG1-CG2 3.35Å; V34-V168 HydrophobicContact CG2-CG2 4.14Å
35C97.1Very high97.4Very high2 Ų244.8 Ų44.81%0.01423%0.232CC..Hα-helixtrans-63.2-33.5-176.6-710000112.2I31 V37 V38 S39 L56 Y63I31-C35 VanDerWaalsContact O-CB 3.29Å; I31-C35 WeakPolarHBondContact O-CB 3.26Å; I31-C35 PolarHBondContact O-N 2.67Å; I31-C35 PolarHBondContact O-SG 3.18Å; C35-V37 PolarHBondContact O-N 2.81Å; C35-V38 PolarHBondContact O-N 3.46Å; C35-S39 WeakPolarHBondContact O-CB 3.38Å; C35-S39 PolarHBondContact O-N 3.03Å; C35-S39 PolarHBondContact O-OG 2.95Å; C35-S39 VanDerWaalsContact O-OG 3.07Å; C35-L56 HydrophobicContact CB-CD2 3.89Å; C35-Y63 HydrophobicContact CB-CD1 3.91Å; C35-Y63 HydrophobicContact CB-CE1 3.56Å; C35-Y63 HydrophobicContact CB-CE2 4.38Å; C35-Y63 HydrophobicContact CB-CG 4.44Å
36K96.3Very high97.4Very high133 Ų13345.2 Ų45.258%0.57822%0.223SC*.Hα-helixtrans-60.6-44173.5-77.7176.6-179.7-1710112.5R32 E33 V34 D40R32-K36 VanDerWaalsContact O-CG 3.3Å; R32-K36 WeakPolarHBondContact O-CG 3.23Å; R32-K36 PolarHBondContact O-N 3.39Å; E33-K36 PolarHBondContact O-N 3.27Å; V34-K36 VanDerWaalsContact C-N 3.28Å; V34-K36 PolarHBondContact O-N 3.41Å; K36-D40 PolarHBondContact O-N 3.41Å
37V98Very high97.4Very high4 Ų447.7 Ų47.72%0.02423%0.232CC..Hα-helixtrans-69-44178.5179.90000110.4V34 C35 S39 D40 V41 Y145 V149 I162V34-V37 PolarHBondContact O-N 3.37Å; V34-V37 VanDerWaalsContact O-N 3.12Å; C35-V37 PolarHBondContact O-N 2.81Å; V37-S39 PolarHBondContact O-N 3.4Å; V37-D40 PolarHBondContact O-N 2.67Å; V37-V41 WeakPolarHBondContact O-CG2 3.47Å; V37-V41 PolarHBondContact O-N 3.47Å; V37-Y145 HydrophobicContact CB-CD2 4.44Å; V37-Y145 HydrophobicContact CB-CG 4.4Å; V37-Y145 HydrophobicContact CG1-CD2 4.49Å; V37-Y145 HydrophobicContact CG1-CG 4.25Å; V37-Y145 HydrophobicContact CG2-CD1 3.83Å; V37-Y145 HydrophobicContact CG2-CD2 4.23Å; V37-Y145 HydrophobicContact CG2-CE1 4.12Å; V37-Y145 HydrophobicContact CG2-CG 3.88Å; V37-V149 HydrophobicContact CG1-CB 3.85Å; V37-V149 HydrophobicContact CG1-CG1 4.32Å; V37-V149 HydrophobicContact CG1-CG2 3.93Å; V37-I162 HydrophobicContact CB-CD1 3.84Å; V37-I162 HydrophobicContact CB-CG1 4.43Å; V37-I162 HydrophobicContact CG1-CD1 3.87Å; V37-I162 HydrophobicContact CG1-CG1 3.99Å; V37-I162 HydrophobicContact CG2-CD1 4.4Å; V37-I162 HydrophobicContact CG2-CG2 4.05Å
38V98.2Very high97.3Very high0 Ų049.9 Ų49.90%024%0.243CC..Hα-helixtrans-60.9-45.4178.2174.40000111.2V34 C35 D40 V41 L42 L56 V76 L160 V168 I170V34-V38 HydrophobicContact CG1-CG2 4.15Å; V34-V38 WeakPolarHBondContact O-CG2 3.29Å; V34-V38 PolarHBondContact O-N 3.24Å; C35-V38 PolarHBondContact O-N 3.46Å; V38-D40 VanDerWaalsContact C-N 3.33Å; V38-D40 PolarHBondContact O-N 3.47Å; V38-V41 PolarHBondContact O-N 3.26Å; V38-L42 HydrophobicContact CG1-CD1 3.77Å; V38-L42 HydrophobicContact CG1-CG 4.19Å; V38-L42 WeakPolarHBondContact O-CB 3.44Å; V38-L42 WeakPolarHBondContact O-CG 3.43Å; V38-L42 PolarHBondContact O-N 3.13Å; V38-L56 HydrophobicContact CB-CD2 3.98Å; 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 4.4Å; V38-V168 HydrophobicContact CG2-CB 4.41Å; V38-V168 HydrophobicContact CG2-CG1 3.82Å; V38-I170 HydrophobicContact CG1-CD1 3.89Å; V38-I170 HydrophobicContact CG1-CG1 4.37Å
39S97.2Very high97.3Very high43 Ų4349 Ų4930%0.30123%0.231SC..Hα-helixtrans-62.8-37.8178.2-65.50000112.7C35 V37 K43C35-S39 WeakPolarHBondContact O-CB 3.38Å; C35-S39 PolarHBondContact O-N 3.03Å; C35-S39 PolarHBondContact O-OG 2.95Å; C35-S39 VanDerWaalsContact O-OG 3.07Å; V37-S39 PolarHBondContact O-N 3.4Å; S39-K43 WeakPolarHBondContact O-CB 3.14Å; S39-K43 PolarHBondContact O-N 2.86Å
40D97.9Very high97.3Very high25 Ų2545.8 Ų45.813%0.13423%0.226CC..Hα-helixtrans-67.8-42.8176.7-172.874.5000111.6K36 V37 V38 K43 E44 C143 S144 Y145K36-D40 PolarHBondContact O-N 3.41Å; V37-D40 PolarHBondContact O-N 2.67Å; V38-D40 VanDerWaalsContact C-N 3.33Å; V38-D40 PolarHBondContact O-N 3.47Å; D40-K43 PolarHBondContact O-N 3.17Å; D40-E44 PolarHBondContact O-N 2.81Å; D40-C143 VanDerWaalsContact OD2-CB 3.23Å; D40-C143 WeakPolarHBondContact OD2-CB 3.46Å; D40-S144 WeakPolarHBondContact OD1-CB 3.4Å; D40-S144 PolarHBondContact OD1-OG 2.75Å; D40-S144 WeakPolarHBondContact OD2-CA 3.12Å; D40-S144 WeakPolarHBondContact OD2-CB 3.33Å; D40-S144 PolarHBondContact OD2-N 3.38Å; D40-S144 PolarHBondContact OD2-OG 3.19Å; D40-Y145 HydrophobicContact CB-CD2 3.69Å; D40-Y145 HydrophobicContact CB-CE2 3.8Å; D40-Y145 WeakPolarHBondContact OD2-CD2 3.21Å
41V98.4Very high97.3Very high0 Ų046.8 Ų46.80%023%0.228CC..Hα-helixtrans-62.3-46.1173.3172.80000111.2V37 V38 K43 E44 V45 V136 A139 V140 C143 V149 L160V37-V41 WeakPolarHBondContact O-CG2 3.47Å; V37-V41 PolarHBondContact O-N 3.47Å; V38-V41 PolarHBondContact O-N 3.26Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 3.12Å; V41-E44 PolarHBondContact O-N 3.41Å; V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.16Å; V41-V136 HydrophobicContact CG1-CG1 4.06Å; V41-A139 HydrophobicContact CG1-CB 4.04Å; V41-V140 HydrophobicContact CG1-CG1 4.14Å; V41-V140 HydrophobicContact CG2-CG1 4.2Å; 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 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-65.5-32.2179.6-73.4176.7000112.5V38 V45 E46 S54 L78 F132 I170V38-L42 HydrophobicContact CG1-CD1 3.77Å; V38-L42 HydrophobicContact CG1-CG 4.19Å; V38-L42 WeakPolarHBondContact O-CB 3.44Å; V38-L42 WeakPolarHBondContact O-CG 3.43Å; V38-L42 PolarHBondContact O-N 3.13Å; L42-V45 WeakPolarHBondContact O-CB 3.39Å; L42-V45 PolarHBondContact O-N 2.97Å; L42-E46 WeakPolarHBondContact O-CB 3.34Å; L42-E46 PolarHBondContact O-N 3.06Å; L42-S54 WeakPolarHBondContact CD1-OG 3.33Å; L42-L78 HydrophobicContact CD1-CD1 4.19Å; L42-L78 HydrophobicContact CD2-CD1 4.48Å; L42-L78 HydrophobicContact CD2-CD2 4.19Å; L42-F132 HydrophobicContact CD2-CE2 4.08Å; L42-F132 HydrophobicContact CD2-CZ 3.79Å; L42-I170 HydrophobicContact CD2-CD1 4.42Å; L42-I170 HydrophobicContact CD2-CG2 4.41Å
43K97.6Very high97.2Very high133 Ų13342.7 Ų42.758%0.57822%0.216SC*.Hα-helixtrans-62.8-43.4173.3-174-178.1177.2-172.70111.7S39 D40 V41 V45 E46 V47S39-K43 WeakPolarHBondContact O-CB 3.14Å; S39-K43 PolarHBondContact O-N 2.86Å; D40-K43 PolarHBondContact O-N 3.17Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 3.12Å; K43-V45 VanDerWaalsContact C-N 3.29Å; K43-V45 PolarHBondContact O-N 3.25Å; K43-E46 PolarHBondContact O-N 3.2Å; K43-V47 WeakPolarHBondContact O-CG2 3.38Å; K43-V47 PolarHBondContact O-N 3.06Å
44E98.2Very high97.1Very high50 Ų5042.2 Ų42.223%0.23422%0.218CC..Hα-helixtrans-67.9-28.4174.9-69.8-57.6131.100113D40 V41 Q48 A139 C143D40-E44 PolarHBondContact O-N 2.81Å; V41-E44 PolarHBondContact O-N 3.41Å; E44-Q48 PolarHBondContact O-NE2 3.42Å; E44-A139 HydrophobicContact CB-CB 3.73Å; E44-C143 HydrophobicContact CG-CB 4.05Å
45V98.4Very high96.9Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-67.3-47.7169.5171.70000110.6V41 L42 K43 V47 Q48 E49 F52 F132 L135 V136 A139V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.16Å; L42-V45 WeakPolarHBondContact O-CB 3.39Å; L42-V45 PolarHBondContact O-N 2.97Å; K43-V45 VanDerWaalsContact C-N 3.29Å; K43-V45 PolarHBondContact O-N 3.25Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V45-V47 PolarHBondContact O-N 2.54Å; V45-Q48 CarbonylContact O-C 3.59Å; V45-Q48 PolarHBondContact O-N 3.14Å; V45-E49 PolarHBondContact O-N 2.78Å; V45-F52 HydrophobicContact CG1-CB 3.83Å; V45-F52 HydrophobicContact CG1-CD2 4.38Å; V45-F52 HydrophobicContact CG1-CG 4.39Å; V45-F132 HydrophobicContact CG1-CD2 4.32Å; V45-F132 HydrophobicContact CG1-CE2 4.04Å; V45-L135 HydrophobicContact CG1-CB 3.97Å; V45-L135 HydrophobicContact CG1-CD1 4.31Å; V45-L135 HydrophobicContact CG2-CB 4.34Å; V45-V136 HydrophobicContact CG2-CB 4.43Å; V45-V136 HydrophobicContact CG2-CG2 3.69Å; V45-A139 HydrophobicContact CG2-CB 3.6Å
46E97.6Very high96.6Very high73 Ų7344 Ų4434%0.34123%0.23SC..Hα-helixtrans-61.4-36.6-178.5-170.6179.8152.700112.3L42 K43 Q48 E49 P50L42-E46 WeakPolarHBondContact O-CB 3.34Å; L42-E46 PolarHBondContact O-N 3.06Å; K43-E46 PolarHBondContact O-N 3.2Å; E46-Q48 PolarHBondContact O-N 2.84Å; E46-E49 CarbonylContact O-C 3.52Å; E46-E49 VanDerWaalsContact O-C 3.25Å; E46-E49 PolarHBondContact O-N 3.07Å; E46-P50 WeakPolarHBondContact O-CA 3.45Å
47V97.4Very high96.3Very high108 Ų10840.1 Ų40.166%0.65522%0.219SC*.Hα-helixtrans-57.8-35.6172.9169.90000112K43 V45K43-V47 WeakPolarHBondContact O-CG2 3.38Å; K43-V47 PolarHBondContact O-N 3.06Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V45-V47 PolarHBondContact O-N 2.54Å
48Q96.5Very high96Very high57 Ų5744.3 Ų44.327%0.26624%0.238SC..Hα-helixtrans-89.4-28.6-179.4-66.8174.596.300112.6E44 V45 E46 L135 Q138E44-Q48 PolarHBondContact O-NE2 3.42Å; V45-Q48 CarbonylContact O-C 3.59Å; V45-Q48 PolarHBondContact O-N 3.14Å; E46-Q48 PolarHBondContact O-N 2.84Å; Q48-L135 HydrophobicContact CB-CD2 3.94Å; Q48-Q138 VanDerWaalsContact OE1-OE1 3.08Å
49E97.2Very high95.5Very high23 Ų2348.5 Ų48.511%0.10726%0.26CS..  trans-147.493-177.3-177.855.5-101.400110.4V45 E46 R51 F52 L135V45-E49 PolarHBondContact O-N 2.78Å; E46-E49 CarbonylContact O-C 3.52Å; E46-E49 VanDerWaalsContact O-C 3.25Å; E46-E49 PolarHBondContact O-N 3.07Å; E49-R51 VanDerWaalsContact CD-NE 3.35Å; E49-R51 HydrophobicContact CG-CB 4.4Å; E49-R51 PolarHBondContact O-N 2.63Å; E49-R51 WeakPolarHBondContact OE1-CG 3.19Å; E49-R51 IonicContact OE1-CZ 3.15Å; E49-R51 IonicContact OE1-NE 3.48Å; E49-R51 PolarHBondContact OE1-NE 2.94Å; E49-R51 IonicContact OE1-NH2 2.67Å; E49-R51 PolarHBondContact OE1-NH2 3.09Å; E49-R51 IonicContact OE2-CZ 3.06Å; E49-R51 IonicContact OE2-NE 3.64Å; E49-R51 IonicContact OE2-NH2 2.74Å; E49-R51 PolarHBondContact OE2-NH2 2.94Å; E49-F52 HydrophobicContact CB-CD2 3.96Å; E49-F52 HydrophobicContact CG-CD2 3.35Å; E49-F52 HydrophobicContact CG-CE2 3.7Å; E49-F52 HydrophobicContact CG-CG 4.47Å; E49-F52 PolarHBondContact O-N 2.9Å; E49-F52 VanDerWaalsContact O-N 3.09Å; E49-L135 HydrophobicContact CB-CD1 3.58Å; E49-L135 HydrophobicContact CB-CD2 4.1Å; E49-L135 HydrophobicContact CG-CD1 3.87Å
50P96.3Very high94.9Very high89 Ų8953.8 Ų53.858%0.57828%0.284SS*.THydrogen-bonded Turntrans-62.1-9.9-174.3-25.835.2000115.1E46 I53E46-P50 WeakPolarHBondContact O-CA 3.45Å; P50-I53 VanDerWaalsContact O-CG1 3.29Å; P50-I53 WeakPolarHBondContact O-CG1 3.38Å
51R96Very high94.3Very high36 Ų3656.3 Ų56.314%0.13631%0.309CS..THydrogen-bonded Turntrans-76.9-21176.9-64.4179.4-73.51703.6113.4E49 I53 L112 W113 E115E49-R51 VanDerWaalsContact CD-NE 3.35Å; E49-R51 HydrophobicContact CG-CB 4.4Å; E49-R51 PolarHBondContact O-N 2.63Å; E49-R51 WeakPolarHBondContact OE1-CG 3.19Å; E49-R51 IonicContact OE1-CZ 3.15Å; E49-R51 IonicContact OE1-NE 3.48Å; E49-R51 PolarHBondContact OE1-NE 2.94Å; E49-R51 IonicContact OE1-NH2 2.67Å; E49-R51 PolarHBondContact OE1-NH2 3.09Å; E49-R51 IonicContact OE2-CZ 3.06Å; E49-R51 IonicContact OE2-NE 3.64Å; E49-R51 IonicContact OE2-NH2 2.74Å; E49-R51 PolarHBondContact OE2-NH2 2.94Å; R51-I53 PolarHBondContact O-N 2.86Å; R51-L112 HydrophobicContact CB-CD2 4.47Å; R51-L112 WeakPolarHBondContact CD-O 3.13Å; R51-L112 HydrophobicContact CG-CD1 3.86Å; R51-L112 HydrophobicContact CG-CD2 4.07Å; R51-L112 HydrophobicContact CG-CG 3.93Å; R51-L112 PolarHBondContact NH1-O 3Å; R51-W113 HydrophobicContact CB-CH2 3.72Å; R51-W113 HydrophobicContact CB-CZ2 4.41Å; R51-W113 HydrophobicContact CB-CZ3 4.02Å; R51-E115 IonicContact CZ-OE1 3.59Å; R51-E115 VanDerWaalsContact NH1-CD 3.28Å; R51-E115 IonicContact NH1-OE1 3.14Å; R51-E115 PolarHBondContact NH1-OE1 3.34Å; R51-E115 IonicContact NH1-OE2 2.59Å; R51-E115 PolarHBondContact NH1-OE2 3.03Å; R51-E115 IonicContact NH2-OE1 3.34Å; R51-E115 PolarHBondContact NH2-OE1 3.47Å
52F96.9Very high93.8Very high0 Ų065.6 Ų65.60%034%0.344CS..SBendtrans-96.468.6178.1-69.2-69.2000111V45 E49 L78 L80 W113 I128 F132 L135V45-F52 HydrophobicContact CG1-CB 3.83Å; V45-F52 HydrophobicContact CG1-CD2 4.38Å; V45-F52 HydrophobicContact CG1-CG 4.39Å; E49-F52 HydrophobicContact CB-CD2 3.96Å; E49-F52 HydrophobicContact CG-CD2 3.35Å; E49-F52 HydrophobicContact CG-CE2 3.7Å; E49-F52 HydrophobicContact CG-CG 4.47Å; E49-F52 PolarHBondContact O-N 2.9Å; E49-F52 VanDerWaalsContact O-N 3.09Å; F52-L78 HydrophobicContact CD1-CD2 4.12Å; F52-L80 HydrophobicContact CD1-CD2 3.58Å; F52-L80 HydrophobicContact CE1-CD2 3.72Å; F52-W113 HydrophobicContact CD1-CH2 4.43Å; F52-W113 HydrophobicContact CE1-CH2 4.17Å; F52-W113 HydrophobicContact CE1-CZ3 4.1Å; F52-W113 HydrophobicContact CE2-CZ3 4.43Å; F52-W113 HydrophobicContact CZ-CH2 4.42Å; F52-W113 AromaticContact CZ-CZ3 3.93Å; F52-W113 HydrophobicContact CZ-CZ3 3.93Å; F52-I128 HydrophobicContact CE1-CG2 4.2Å; F52-I128 HydrophobicContact CZ-CG2 4.28Å; F52-F132 HydrophobicContact CB-CD2 4.4Å; F52-F132 HydrophobicContact CB-CE2 4.32Å; 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 4.36Å; F52-F132 HydrophobicContact CD2-CD2 4.11Å; F52-F132 HydrophobicContact CE1-CB 4.05Å; F52-F132 AromaticContact CE1-CD2 3.79Å; F52-F132 HydrophobicContact CE1-CD2 3.79Å; F52-F132 HydrophobicContact CE1-CG 4.14Å; F52-F132 HydrophobicContact CE2-CB 4.48Å; F52-F132 HydrophobicContact CE2-CD2 4.29Å; F52-F132 AromaticContact CG-CD2 3.79Å; F52-F132 HydrophobicContact CG-CD2 3.79Å; F52-F132 HydrophobicContact CG-CE2 4.17Å; F52-F132 HydrophobicContact CZ-CB 3.93Å; F52-F132 HydrophobicContact CZ-CD2 4.15Å; F52-F132 HydrophobicContact CZ-CG 4.42Å; F52-L135 HydrophobicContact CD2-CD1 3.63Å; F52-L135 HydrophobicContact CE2-CD1 3.59Å
53I95.5Very high93.6Very high76 Ų7667.5 Ų67.539%0.3935%0.351SS..  trans-77.1133178.8-53.1170.1000109.1P50 R51 S55 L78P50-I53 VanDerWaalsContact O-CG1 3.29Å; P50-I53 WeakPolarHBondContact O-CG1 3.38Å; R51-I53 PolarHBondContact O-N 2.86Å; I53-S55 PolarHBondContact O-N 2.73Å; I53-L78 VanDerWaalsContact O-CD1 3.27Å; I53-L78 WeakPolarHBondContact O-CD1 3.32Å
54S94.1Very high93.2Very high35 Ų3564.6 Ų64.625%0.24534%0.34CS..  trans-64118176.4-175.90000111.5L42 L56L42-S54 WeakPolarHBondContact CD1-OG 3.33Å; S54-L56 VanDerWaalsContact C-N 3.26Å; S54-L56 WeakPolarHBondContact OG-CB 3.31Å; S54-L56 PolarHBondContact OG-N 3.14Å
55S92.3Very high92.9Very high25 Ų2562.7 Ų62.718%0.17533%0.334CS..  trans-86.65169.162.90000113I53 S57 V77 Y79I53-S55 PolarHBondContact O-N 2.73Å; S55-S57 PolarHBondContact O-N 2.86Å; S55-V77 PolarHBondContact OG-O 2.84Å; S55-Y79 PolarHBondContact OG-N 3.32Å
56L91.7Very high92.8Very high15 Ų1564.2 Ų64.28%0.07934%0.342CS..  trans-80.586.7-175.6-171.868.5000110.4C35 V38 S54 Y63 V76C35-L56 HydrophobicContact CB-CD2 3.89Å; V38-L56 HydrophobicContact CB-CD2 3.98Å; V38-L56 HydrophobicContact CG1-CD2 3.77Å; S54-L56 VanDerWaalsContact C-N 3.26Å; S54-L56 WeakPolarHBondContact OG-CB 3.31Å; S54-L56 PolarHBondContact OG-N 3.14Å; L56-Y63 HydrophobicContact CD1-CD1 3.92Å; L56-Y63 HydrophobicContact CD1-CG 4.29Å; L56-Y63 HydrophobicContact CG-CD1 3.98Å; L56-V76 HydrophobicContact CD1-CG1 4.01Å; L56-V76 HydrophobicContact CD1-CG2 4.36Å
57S89.8Confident92.7Very high51 Ų5163.5 Ų63.536%0.35734%0.338SS..  trans-114.4140.6175.552.90000112S55 Y63 E64S55-S57 PolarHBondContact O-N 2.86Å; S57-Y63 WeakPolarHBondContact O-CA 3.35Å; S57-E64 PolarHBondContact O-N 3.32Å; S57-E64 VanDerWaalsContact O-N 3.08Å
58E90.7Very high92.7Very high92 Ų9260.3 Ų60.343%0.4332%0.319SS..EExtended strand (participates in β ladder)trans-84.3115.2171.3-170.5169.9-177.700109.7R62 Y63E58-R62 CarbonylContact C-O 3.45Å; E58-R62 WeakPolarHBondContact CA-O 3.46Å; E58-Y63 HydrophobicContact CB-CD1 4.17Å; E58-Y63 HydrophobicContact CB-CE1 3.83Å; E58-Y63 HydrophobicContact CB-CE2 4.3Å; E58-Y63 HydrophobicContact CG-CE2 4.1Å; E58-Y63 PolarHBondContact OE2-OH 2.96Å
59I87Confident92.7Very high87 Ų8760.4 Ų60.445%0.44632%0.321SS..EExtended strand (participates in β ladder)trans-126.4128.4176.7-56.7173.8000106.8A61 R62I59-A61 VanDerWaalsContact C-N 3.28Å; I59-A61 PolarHBondContact O-N 2.89Å; I59-R62 PolarHBondContact N-O 2.81Å; I59-R62 PolarHBondContact O-N 3.26Å
60D86.1Confident92.6Very high154 Ų15459.5 Ų59.582%0.82432%0.317SS*.THydrogen-bonded Turntrans50.644.3-179.1-59.4-32.7000114.1R62D60-R62 PolarHBondContact O-N 3.43Å
61A84.2Confident92.6Very high78 Ų7857.6 Ų57.665%0.64531%0.305SS*.THydrogen-bonded Turntrans59.722.7-177.700000114.8I59I59-A61 VanDerWaalsContact C-N 3.28Å; I59-A61 PolarHBondContact O-N 2.89Å
62R88.6Confident92.6Very high196 Ų19658.4 Ų58.474%0.7431%0.314SS*.EExtended strand (participates in β ladder)trans-130145.1174.6-67.1-176.3136.1-171.2-5.3110E58 I59 D60E58-R62 CarbonylContact C-O 3.45Å; E58-R62 WeakPolarHBondContact CA-O 3.46Å; I59-R62 PolarHBondContact N-O 2.81Å; I59-R62 PolarHBondContact O-N 3.26Å; D60-R62 PolarHBondContact O-N 3.43Å
63Y93Very high92.7Very high40 Ų4061 Ų6116%0.15733%0.326CS..EExtended strand (participates in β ladder)trans-89.2121.8174-70.6-94.8000109I31 C35 L56 S57 E58 L66I31-Y63 HydrophobicContact CG2-CD2 3.44Å; I31-Y63 VanDerWaalsContact CG2-CD2 3.44Å; I31-Y63 HydrophobicContact CG2-CE2 3.71Å; I31-Y63 HydrophobicContact CG2-CG 4.35Å; C35-Y63 HydrophobicContact CB-CD1 3.91Å; C35-Y63 HydrophobicContact CB-CE1 3.56Å; C35-Y63 HydrophobicContact CB-CE2 4.38Å; C35-Y63 HydrophobicContact CB-CG 4.44Å; L56-Y63 HydrophobicContact CD1-CD1 3.92Å; L56-Y63 HydrophobicContact CD1-CG 4.29Å; L56-Y63 HydrophobicContact CG-CD1 3.98Å; S57-Y63 WeakPolarHBondContact O-CA 3.35Å; E58-Y63 HydrophobicContact CB-CD1 4.17Å; E58-Y63 HydrophobicContact CB-CE1 3.83Å; E58-Y63 HydrophobicContact CB-CE2 4.3Å; E58-Y63 HydrophobicContact CG-CE2 4.1Å; E58-Y63 PolarHBondContact OE2-OH 2.96Å; Y63-L66 PolarHBondContact O-N 3.41Å
64E90.3Very high92.8Very high71 Ų7157.5 Ų57.533%0.33231%0.308SS..THydrogen-bonded Turntrans-63.5139.5175.5-171.2175-179.300110S57 L66 Y79 K175S57-E64 PolarHBondContact O-N 3.32Å; S57-E64 VanDerWaalsContact O-N 3.08Å; E64-L66 PolarHBondContact O-N 2.71Å; E64-Y79 HydrophobicContact CG-CE2 4.35Å; E64-K175 IonicContact OE1-NZ 2.73Å; E64-K175 PolarHBondContact OE1-NZ 3.26Å
65G91.5Very high93Very high11 Ų1156.4 Ų56.411%0.11330%0.299CS..THydrogen-bonded Turntrans74.51.1-178.500000115.4V77G65-V77 WeakPolarHBondContact O-CB 3.47Å; G65-V77 WeakPolarHBondContact O-CG2 3.42Å; G65-V77 PolarHBondContact O-N 3.37Å
66L96.6Very high93.3Very high31 Ų3155.2 Ų55.216%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-90.8125.3178.4-176.980.4000112.3I31 Y63 E64 F74 E75 V76I31-L66 HydrophobicContact CB-CD2 4.2Å; I31-L66 HydrophobicContact CD1-CD2 3.68Å; I31-L66 HydrophobicContact CG1-CD2 3.77Å; I31-L66 HydrophobicContact CG2-CD2 3.4Å; Y63-L66 PolarHBondContact O-N 3.41Å; E64-L66 PolarHBondContact O-N 2.71Å; L66-F74 HydrophobicContact CD1-CB 4.2Å; L66-E75 CarbonylContact C-O 3.58Å; L66-E75 WeakPolarHBondContact CA-O 3.44Å; L66-V76 HydrophobicContact CD1-CG2 3.51Å
67E95.9Very high93.6Very high58 Ų5854.6 Ų54.627%0.27129%0.288SS..EExtended strand (participates in β ladder)trans-111.1141171.1-61.8-161.8162.300112.7F74 E75 Q233E67-F74 WeakPolarHBondContact O-CA 3.38Å; E67-E75 HydrophobicContact CB-CB 4.37Å; E67-E75 PolarHBondContact N-O 3.37Å; E67-E75 PolarHBondContact O-N 3.46Å; E67-Q233 PolarHBondContact OE1-NE2 2.96Å
68V97Very high94Very high42 Ų4252.2 Ų52.226%0.25527%0.271SS..EExtended strand (participates in β ladder)trans-100.2105.1177.1-179.10000109.9I27 I31 F74 N271I27-V68 HydrophobicContact CD1-CG1 4.09Å; I27-V68 HydrophobicContact CG2-CG1 4.04Å; I27-V68 HydrophobicContact CG2-CG2 4Å; I31-V68 HydrophobicContact CD1-CG2 3.88Å; V68-F74 HydrophobicContact CG1-CE1 4.26Å; V68-F74 HydrophobicContact CG2-CD1 4.16Å; V68-F74 HydrophobicContact CG2-CE1 4.18Å; V68-N271 PolarHBondContact O-ND2 3.3Å
69I95.9Very high94.3Very high58 Ų5849.3 Ų49.330%0.29726%0.256SS..EExtended strand (participates in β ladder)trans-80.6-48177.7-58.9169.4000109.8E73 E75 R258 N271I69-E73 HydrophobicContact CB-CB 4.06Å; I69-E73 WeakPolarHBondContact CB-O 3.45Å; I69-E73 HydrophobicContact CG2-CB 4.37Å; I69-E73 PolarHBondContact N-O 3.36Å; I69-E75 HydrophobicContact CD1-CB 4.11Å; I69-R258 VanDerWaalsContact O-CZ 3.3Å; I69-R258 PolarHBondContact O-NH1 2.87Å; I69-R258 PolarHBondContact O-NH2 3.28Å; I69-N271 PolarHBondContact O-ND2 3.12Å; I69-N271 VanDerWaalsContact O-ND2 3.11Å
70S94.7Very high94.7Very high4 Ų445.9 Ų45.93%0.02824%0.238CC..EExtended strand (participates in β ladder)trans-147.7174.4175.679.40000110T72 E73S70-T72 PolarHBondContact O-N 2.79Å; S70-T72 PolarHBondContact OG-N 3.32Å; S70-T72 PolarHBondContact OG-OG1 3.22Å; S70-E73 WeakPolarHBondContact CB-OE2 3.39Å; S70-E73 PolarHBondContact N-O 3.44Å; S70-E73 PolarHBondContact O-N 3.09Å; S70-E73 VanDerWaalsContact O-O 3.08Å; S70-E73 VanDerWaalsContact OG-CB 3.26Å; S70-E73 WeakPolarHBondContact OG-CB 3.47Å; S70-E73 WeakPolarHBondContact OG-CG 3.46Å; S70-E73 PolarHBondContact OG-N 3.48Å; S70-E73 VanDerWaalsContact OG-N 3.08Å; S70-E73 PolarHBondContact OG-OE2 2.89Å
71P96.3Very high94.9Very high50 Ų5042 Ų4233%0.32522%0.218SC..THydrogen-bonded Turntrans-58.6-16.8175.6-2636.6000114.5I27 D259I27-P71 HydrophobicContact CG1-CB 4.4Å; P71-D259 WeakPolarHBondContact CD-OD2 3.42Å; P71-D259 HydrophobicContact CG-CB 4.23Å; P71-D259 VanDerWaalsContact CG-OD2 3.28Å; P71-D259 WeakPolarHBondContact CG-OD2 3.33Å
72T97.4Very high94.7Very high53 Ų5346.8 Ų46.833%0.32523%0.227SC..THydrogen-bonded Turntrans-122.8-1.5-178.751.10000113.8S70 Y166 V167S70-T72 PolarHBondContact O-N 2.79Å; S70-T72 PolarHBondContact OG-N 3.32Å; S70-T72 PolarHBondContact OG-OG1 3.22Å; T72-Y166 HydrophobicContact CG2-CD1 4.15Å; T72-Y166 HydrophobicContact CG2-CE1 4.33Å; T72-Y166 CarbonylContact O-C 3.54Å; T72-Y166 WeakPolarHBondContact O-CA 3.37Å; T72-V167 PolarHBondContact O-N 3.3Å
73E98Very high94.3Very high55 Ų5540 Ų4026%0.25720%0.204SC..EExtended strand (participates in β ladder)trans-128.3130.7-177.4-61.9166.9104.200111.2I69 S70 V167I69-E73 HydrophobicContact CB-CB 4.06Å; I69-E73 WeakPolarHBondContact CB-O 3.45Å; I69-E73 HydrophobicContact CG2-CB 4.37Å; I69-E73 PolarHBondContact N-O 3.36Å; S70-E73 WeakPolarHBondContact CB-OE2 3.39Å; S70-E73 PolarHBondContact N-O 3.44Å; S70-E73 PolarHBondContact O-N 3.09Å; S70-E73 VanDerWaalsContact O-O 3.08Å; S70-E73 VanDerWaalsContact OG-CB 3.26Å; S70-E73 WeakPolarHBondContact OG-CB 3.47Å; S70-E73 WeakPolarHBondContact OG-CG 3.46Å; S70-E73 PolarHBondContact OG-N 3.48Å; S70-E73 VanDerWaalsContact OG-N 3.08Å; S70-E73 PolarHBondContact OG-OE2 2.89Å; E73-V167 VanDerWaalsContact CA-O 3.31Å; E73-V167 WeakPolarHBondContact CA-O 3.36Å; E73-V167 HydrophobicContact CG-CB 4.29Å
74F98.3Very high94Very high2 Ų241 Ų411%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-134.5152.9-174.6-53.4-86.8000110.6I27 T30 I31 V34 L66 E67 V68 V167 V168 Q169I27-F74 HydrophobicContact CG2-CE1 4.17Å; T30-F74 HydrophobicContact CG2-CE2 3.66Å; T30-F74 HydrophobicContact CG2-CZ 3.56Å; I31-F74 HydrophobicContact CD1-CE1 4.26Å; I31-F74 HydrophobicContact CG1-CD1 4.09Å; I31-F74 HydrophobicContact CG1-CE1 3.61Å; I31-F74 HydrophobicContact CG1-CZ 4.34Å; V34-F74 HydrophobicContact CG1-CD2 4.46Å; V34-F74 HydrophobicContact CG2-CD2 4.22Å; V34-F74 HydrophobicContact CG2-CE2 4.14Å; L66-F74 HydrophobicContact CD1-CB 4.2Å; E67-F74 WeakPolarHBondContact O-CA 3.38Å; V68-F74 HydrophobicContact CG1-CE1 4.26Å; V68-F74 HydrophobicContact CG2-CD1 4.16Å; V68-F74 HydrophobicContact CG2-CE1 4.18Å; F74-V167 PolarHBondContact N-O 2.96Å; F74-V168 HydrophobicContact CB-CG1 4.36Å; F74-V168 HydrophobicContact CD2-CG2 4.43Å; F74-V168 WeakPolarHBondContact O-CA 3.39Å; F74-Q169 PolarHBondContact O-N 2.96Å
75E98.2Very high94Very high11 Ų1138.8 Ų38.85%0.05122%0.218CC..EExtended strand (participates in β ladder)trans-120.7127.3166.9-179.3172.2-171.200108.9L66 E67 I69 Q169 T171 K213L66-E75 CarbonylContact C-O 3.58Å; L66-E75 WeakPolarHBondContact CA-O 3.44Å; E67-E75 HydrophobicContact CB-CB 4.37Å; E67-E75 PolarHBondContact N-O 3.37Å; E67-E75 PolarHBondContact O-N 3.46Å; I69-E75 HydrophobicContact CD1-CB 4.11Å; E75-Q169 CarbonylContact C-O 3.37Å; E75-Q169 WeakPolarHBondContact CA-O 3.36Å; E75-Q169 HydrophobicContact CG-CB 4.41Å; E75-T171 VanDerWaalsContact OE1-CB 3.26Å; E75-T171 WeakPolarHBondContact OE1-CB 3.34Å; E75-T171 PolarHBondContact OE1-OG1 2.89Å; E75-K213 WeakPolarHBondContact OE1-CE 3.33Å; E75-K213 IonicContact OE1-NZ 3.38Å; E75-K213 PolarHBondContact OE1-NZ 2.88Å; E75-K213 IonicContact OE2-NZ 2.75Å; E75-K213 PolarHBondContact OE2-NZ 3.18Å
76V98.2Very high94.2Very high1 Ų138.5 Ų38.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-104.6113.4172.1173.60000107.4V38 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 4.01Å; L56-V76 HydrophobicContact CD1-CG2 4.36Å; L66-V76 HydrophobicContact CD1-CG2 3.51Å; V76-L78 PolarHBondContact O-N 3.03Å; V76-V168 HydrophobicContact CG2-CG1 3.86Å; V76-Q169 PolarHBondContact N-O 3.23Å; V76-I170 HydrophobicContact CB-CG1 4.5Å; V76-I170 CarbonylContact O-C 3.59Å; V76-I170 WeakPolarHBondContact O-CA 3.42Å; V76-T171 PolarHBondContact O-N 3.22Å
77V97.8Very high94.1Very high2 Ų241.2 Ų41.21%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-79.1113.5171.9-1780000108.2S55 G65 Y79 A173 L211S55-V77 PolarHBondContact OG-O 2.84Å; G65-V77 WeakPolarHBondContact O-CB 3.47Å; G65-V77 WeakPolarHBondContact O-CG2 3.42Å; G65-V77 PolarHBondContact O-N 3.37Å; V77-Y79 HydrophobicContact CG1-CD1 4.01Å; V77-Y79 HydrophobicContact CG1-CE1 3.59Å; V77-Y79 HydrophobicContact CG1-CE2 4.38Å; V77-A173 HydrophobicContact CG1-CB 3.42Å; V77-A173 VanDerWaalsContact CG1-CB 3.42Å; V77-L211 HydrophobicContact CG2-CD2 4.24Å
78L97.9Very high94.1Very high0 Ų040.3 Ų40.30%022%0.224CC..EExtended strand (participates in β ladder)trans-90.2101.5176.2-179.966.5000108.8L42 F52 I53 V76 L80 F132 I170 T171 P172 A173L42-L78 HydrophobicContact CD1-CD1 4.19Å; L42-L78 HydrophobicContact CD2-CD1 4.48Å; L42-L78 HydrophobicContact CD2-CD2 4.19Å; F52-L78 HydrophobicContact CD1-CD2 4.12Å; I53-L78 VanDerWaalsContact O-CD1 3.27Å; I53-L78 WeakPolarHBondContact O-CD1 3.32Å; V76-L78 PolarHBondContact O-N 3.03Å; L78-L80 PolarHBondContact O-N 3.24Å; L78-F132 HydrophobicContact CD2-CD2 4.37Å; L78-F132 HydrophobicContact CD2-CE1 4.24Å; L78-F132 HydrophobicContact CD2-CE2 3.55Å; L78-F132 HydrophobicContact CD2-CZ 3.49Å; L78-F132 VanDerWaalsContact CD2-CZ 3.49Å; L78-I170 HydrophobicContact CB-CG2 4.05Å; L78-T171 PolarHBondContact N-O 3.3Å; L78-P172 CarbonylContact O-C 3.55Å; L78-P172 WeakPolarHBondContact O-CA 3.42Å; L78-A173 PolarHBondContact O-N 2.79Å
79Y97Very high94Very high31 Ų3140.7 Ų40.712%0.12223%0.226CC..EExtended strand (participates in β ladder)trans-72.9111.9178.7-67.3-60.9000110.5S55 E64 V77 A173 K175 N209 E236S55-Y79 PolarHBondContact OG-N 3.32Å; E64-Y79 HydrophobicContact CG-CE2 4.35Å; V77-Y79 HydrophobicContact CG1-CD1 4.01Å; V77-Y79 HydrophobicContact CG1-CE1 3.59Å; V77-Y79 HydrophobicContact CG1-CE2 4.38Å; Y79-A173 HydrophobicContact CD1-CB 4.39Å; Y79-K175 HydrophobicContact CD1-CB 4Å; Y79-K175 HydrophobicContact CE1-CB 4.05Å; Y79-K175 HydrophobicContact CE1-CD 4.39Å; Y79-K175 HydrophobicContact CE1-CG 4.49Å; Y79-N209 WeakPolarHBondContact CE1-OD1 3.38Å; Y79-N209 PolarHBondContact OH-ND2 3.39Å; Y79-E236 PolarHBondContact OH-OE1 3.19Å
80L96.4Very high93.9Very high15 Ų1538.5 Ų38.58%0.07922%0.215CC..PPolyproline II helixtrans-72.4156.9173.1-56.4-178000110F52 L78 W113 I128 P172 A173 F174F52-L80 HydrophobicContact CD1-CD2 3.58Å; F52-L80 HydrophobicContact CE1-CD2 3.72Å; L78-L80 PolarHBondContact O-N 3.24Å; L80-W113 HydrophobicContact CB-CH2 4.43Å; L80-W113 HydrophobicContact CB-CZ2 3.85Å; L80-W113 HydrophobicContact CD1-CH2 4.17Å; L80-W113 HydrophobicContact CD1-CZ2 4.08Å; L80-W113 HydrophobicContact CD2-CH2 3.96Å; L80-W113 HydrophobicContact CD2-CZ2 4.25Å; L80-W113 HydrophobicContact CG-CH2 4.41Å; L80-W113 HydrophobicContact CG-CZ2 4.28Å; L80-I128 HydrophobicContact CD1-CD1 4.48Å; L80-I128 HydrophobicContact CD1-CG2 4.09Å; L80-P172 HydrophobicContact CD1-CB 4.1Å; L80-P172 HydrophobicContact CD2-CB 4.33Å; L80-P172 HydrophobicContact CG-CB 4.33Å; L80-A173 PolarHBondContact N-O 3.33Å; L80-F174 HydrophobicContact CB-CD1 4.04Å; L80-F174 HydrophobicContact CB-CE1 3.72Å; L80-F174 HydrophobicContact CB-CZ 4.2Å; L80-F174 HydrophobicContact CD1-CE1 4.24Å; L80-F174 HydrophobicContact CD1-CE2 4.14Å; L80-F174 HydrophobicContact CD1-CZ 3.86Å
81N89.8Confident93.5Very high74 Ų7443.2 Ų43.240%0.39624%0.239SC..SBendtrans-52.4159171.5-77.4-40.4000111.7L112 F174N81-L112 HydrophobicContact CB-CD2 3.97Å; N81-F174 WeakPolarHBondContact O-CD1 3.36Å; N81-F174 WeakPolarHBondContact O-CE1 3.26Å
82Q80.4Confident92.8Very high178 Ų17843 Ų4383%0.83225%0.246SC*.PPolyproline II helixtrans-48.5143.2-170.5-61.4-176.80.700114.2G84Q82-G84 PolarHBondContact O-N 2.82Å; Q82-G84 VanDerWaalsContact O-N 3.14Å
83M80.6Confident92.2Very high53 Ų5344.1 Ų44.126%0.26126%0.256SS..  trans-60.1-23176.863.3179.3176.600113.3V85 F86 L100 F174M83-V85 PolarHBondContact O-N 2.91Å; M83-F86 WeakPolarHBondContact O-CD2 3.49Å; M83-F86 PolarHBondContact O-N 3.18Å; M83-L100 HydrophobicContact SD-CD2 4.31Å; M83-F174 HydrophobicContact CB-CD1 4.25Å
84G86Confident91.7Very high61 Ų6142.3 Ų42.363%0.62925%0.248SC*.THydrogen-bonded Turntrans59.7-105.417200000113.8Q82 F86Q82-G84 PolarHBondContact O-N 2.82Å; Q82-G84 VanDerWaalsContact O-N 3.14Å; G84-F86 PolarHBondContact O-N 3.44Å
85V90.8Very high91.3Very high24 Ų2444.5 Ų44.515%0.14526%0.263CS..THydrogen-bonded Turntrans-86.32.2-168.8-61.60000115M83 L102 S103 K107 M110M83-V85 PolarHBondContact O-N 2.91Å; V85-L102 HydrophobicContact CG2-CD2 3.73Å; V85-S103 WeakPolarHBondContact O-CB 3.5Å; V85-S103 PolarHBondContact O-N 2.81Å; V85-S103 PolarHBondContact O-OG 2.82Å; V85-K107 HydrophobicContact CB-CB 4.05Å; V85-K107 HydrophobicContact CB-CD 4.21Å; V85-K107 HydrophobicContact CG1-CB 4.03Å; V85-K107 HydrophobicContact CG1-CD 4.01Å; V85-K107 HydrophobicContact CG2-CB 4.43Å; V85-M110 HydrophobicContact CG1-CE 3.79Å
86F95.1Very high91Very high6 Ų644.2 Ų44.23%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-90.6139.8179.2-61.8-76.6000112.2M83 G84 L100 K101 L102 S111 I117 L123M83-F86 WeakPolarHBondContact O-CD2 3.49Å; M83-F86 PolarHBondContact O-N 3.18Å; G84-F86 PolarHBondContact O-N 3.44Å; F86-L100 HydrophobicContact CB-CB 4.11Å; F86-L100 HydrophobicContact CB-CD2 4.25Å; F86-L100 HydrophobicContact CD1-CB 4.46Å; F86-L100 HydrophobicContact CG-CB 4.32Å; F86-K101 CarbonylContact C-O 3.25Å; F86-K101 WeakPolarHBondContact CA-O 3.12Å; F86-L102 HydrophobicContact CD1-CD2 4Å; F86-L102 HydrophobicContact CD1-CG 4.2Å; F86-L102 HydrophobicContact CE1-CD2 3.55Å; F86-L102 HydrophobicContact CE1-CG 3.76Å; F86-L102 HydrophobicContact CZ-CD2 4.02Å; F86-S111 WeakPolarHBondContact CE2-OG 3.49Å; F86-I117 HydrophobicContact CE1-CD1 4.06Å; F86-I117 HydrophobicContact CE1-CG1 4.13Å; F86-I117 HydrophobicContact CZ-CD1 3.63Å; F86-I117 HydrophobicContact CZ-CG1 3.77Å; F86-L123 HydrophobicContact CD1-CB 4.07Å; F86-L123 HydrophobicContact CD2-CD2 3.99Å; F86-L123 HydrophobicContact CE1-CB 3.7Å; F86-L123 HydrophobicContact CE2-CB 4.27Å; F86-L123 HydrophobicContact CE2-CD1 4.19Å; F86-L123 HydrophobicContact CE2-CD2 3.75Å; F86-L123 HydrophobicContact CE2-CG 4.29Å; F86-L123 HydrophobicContact CZ-CB 3.84Å; F86-L123 HydrophobicContact CZ-CD1 3.85Å; F86-L123 HydrophobicContact CZ-CD2 4.12Å; F86-L123 HydrophobicContact CZ-CG 4.15Å
87N94.6Very high90.9Very high87 Ų8744.3 Ų44.347%0.46526%0.263SS..EExtended strand (participates in β ladder)trans-87.6134.2164-67.7-22.6000109.1L100 K101N87-L100 WeakPolarHBondContact O-CA 3.48Å; N87-K101 PolarHBondContact N-O 3.24Å; N87-K101 PolarHBondContact O-N 3.22Å
88F95Very high90.7Very high40 Ų4044.3 Ų44.318%0.17526%0.264CS..EExtended strand (participates in β ladder)trans-71.2126.1163.8167.4-103.9000109.9D90 A98 L100 I179 P181 F208 L210 L232F88-D90 HydrophobicContact CE1-CB 3.74Å; F88-D90 HydrophobicContact CE2-CB 4.22Å; F88-D90 HydrophobicContact CZ-CB 3.45Å; F88-D90 VanDerWaalsContact CZ-CB 3.45Å; F88-A98 HydrophobicContact CD2-CB 4.03Å; F88-A98 HydrophobicContact CE2-CB 3.3Å; F88-A98 HydrophobicContact CZ-CB 4.03Å; F88-L100 HydrophobicContact CB-CD2 4.45Å; F88-I179 HydrophobicContact CB-CD1 3.8Å; F88-I179 HydrophobicContact CD1-CD1 3.76Å; F88-I179 HydrophobicContact CG-CD1 3.92Å; F88-P181 HydrophobicContact CE1-CB 4.43Å; F88-P181 HydrophobicContact CZ-CB 3.98Å; F88-P181 HydrophobicContact CZ-CG 4.17Å; F88-F208 HydrophobicContact CD1-CZ 4.13Å; F88-F208 HydrophobicContact CD2-CE2 4.07Å; F88-F208 AromaticContact CD2-CZ 3.87Å; F88-F208 HydrophobicContact CD2-CZ 3.87Å; F88-F208 AromaticContact CE1-CZ 3.83Å; F88-F208 HydrophobicContact CE1-CZ 3.83Å; F88-F208 AromaticContact CE2-CE2 3.54Å; F88-F208 HydrophobicContact CE2-CE2 3.54Å; F88-F208 AromaticContact CE2-CZ 3.53Å; F88-F208 HydrophobicContact CE2-CZ 3.53Å; F88-F208 HydrophobicContact CG-CZ 4.13Å; F88-F208 HydrophobicContact CZ-CE1 4.47Å; F88-F208 AromaticContact CZ-CE2 3.84Å; F88-F208 HydrophobicContact CZ-CE2 3.84Å; F88-F208 AromaticContact CZ-CZ 3.5Å; F88-F208 HydrophobicContact CZ-CZ 3.5Å; F88-L210 HydrophobicContact CD2-CD1 4.03Å; 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
89V94.8Very high90.6Very high49 Ų4945.3 Ų45.330%0.29727%0.27SS..EExtended strand (participates in β ladder)trans-125.6116179.5-176.50000109.4V99 K101V89-V99 HydrophobicContact CB-CG2 3.82Å; V89-V99 HydrophobicContact CG1-CG2 4.27Å; V89-V99 PolarHBondContact N-O 3.39Å; V89-V99 PolarHBondContact O-N 3.42Å; V89-K101 HydrophobicContact CG2-CB 4.19Å
90D94.3Very high90.5Very high13 Ų1343.9 Ų43.97%0.0726%0.264CS..  trans-127.799.7173.8173.514.5000108.5F88 G92 A98 P181 R182 S183F88-D90 HydrophobicContact CE1-CB 3.74Å; F88-D90 HydrophobicContact CE2-CB 4.22Å; F88-D90 HydrophobicContact CZ-CB 3.45Å; F88-D90 VanDerWaalsContact CZ-CB 3.45Å; D90-G92 PolarHBondContact OD1-N 3.21Å; D90-A98 HydrophobicContact CB-CB 4.29Å; D90-P181 WeakPolarHBondContact OD2-CB 3.43Å; D90-R182 HydrophobicContact CB-CB 4.47Å; D90-R182 WeakPolarHBondContact O-CB 3.28Å; D90-R182 PolarHBondContact OD2-N 3.25Å; D90-S183 PolarHBondContact OD1-OG 3.29Å; D90-S183 VanDerWaalsContact OD2-CB 3.23Å; D90-S183 WeakPolarHBondContact OD2-CB 3.39Å; D90-S183 PolarHBondContact OD2-N 2.87Å; D90-S183 PolarHBondContact OD2-OG 2.89Å
91D86.8Confident90.5Very high102 Ų10247.3 Ų47.355%0.54528%0.279SS..  trans-101.72.7178.964.62.7000112.7S93D91-S93 PolarHBondContact O-N 3.23Å; D91-S93 WeakPolarHBondContact OD1-CB 3.07Å; D91-S93 PolarHBondContact OD1-N 3.17Å; D91-S93 PolarHBondContact OD1-OG 2.98Å; D91-S93 PolarHBondContact OD2-OG 3.13Å
92G81.6Confident90.7Very high45 Ų4544.7 Ų44.746%0.46426%0.264SS..SBendtrans73.93.8-17700000115.3D90 L94D90-G92 PolarHBondContact OD1-N 3.21Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.35Å
93S84Confident91.4Very high77 Ų7738.4 Ų38.454%0.53824%0.24SC..SBendtrans-69.6-25.7178.464.30000113.1D91D91-S93 PolarHBondContact O-N 3.23Å; D91-S93 WeakPolarHBondContact OD1-CB 3.07Å; D91-S93 PolarHBondContact OD1-N 3.17Å; D91-S93 PolarHBondContact OD1-OG 2.98Å; D91-S93 PolarHBondContact OD2-OG 3.13Å
94L87.3Confident91.9Very high18 Ų1838.1 Ų38.19%0.09424%0.24CC..SBendtrans-116.598.5-178.4-56.6178.5000110G92 G96 C97 V99 L218 E226 A229G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.35Å; L94-G96 PolarHBondContact O-N 2.82Å; L94-G96 VanDerWaalsContact O-N 3.14Å; L94-C97 HydrophobicContact CB-CB 3.9Å; L94-C97 PolarHBondContact O-N 2.98Å; L94-V99 HydrophobicContact CD1-CG1 4.04Å; L94-L218 HydrophobicContact CD2-CD2 3.98Å; L94-E226 HydrophobicContact CD2-CB 4.39Å; L94-E226 HydrophobicContact CD2-CG 3.5Å; L94-A229 HydrophobicContact CD1-CB 3.53Å
95P90Very high92.2Very high47 Ų4737.7 Ų37.731%0.30524%0.236SC..THydrogen-bonded Turntrans-60.2120.2-178.6-23.133.2000111.7C97 S217P95-C97 VanDerWaalsContact C-N 3.33Å; P95-S217 PolarHBondContact O-OG 2.93Å
96G93.3Very high92.3Very high6 Ų646.3 Ų46.36%0.06227%0.265CS..THydrogen-bonded Turntrans85.10.3-178.600000115L94 L232L94-G96 PolarHBondContact O-N 2.82Å; L94-G96 VanDerWaalsContact O-N 3.14Å; G96-L232 PolarHBondContact O-N 3.43Å
97C94.6Very high92.2Very high2 Ų249.9 Ų49.91%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-134.9163.6-175-54.10000112.4L94 P95 A229 W230L94-C97 HydrophobicContact CB-CB 3.9Å; L94-C97 PolarHBondContact O-N 2.98Å; P95-C97 VanDerWaalsContact C-N 3.33Å; C97-A229 HydrophobicContact CB-CB 3.96Å; C97-W230 CarbonylContact C-O 3.57Å; C97-W230 WeakPolarHBondContact CA-O 3.29Å; C97-W230 WeakPolarHBondContact CB-O 3.37Å
98A95Very high92.2Very high3 Ų349.4 Ų49.43%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-142.3172173.900000110.1F88 D90 L210 A229 W230 L232F88-A98 HydrophobicContact CD2-CB 4.03Å; F88-A98 HydrophobicContact CE2-CB 3.3Å; F88-A98 HydrophobicContact CZ-CB 4.03Å; D90-A98 HydrophobicContact CB-CB 4.29Å; A98-L210 HydrophobicContact CB-CD2 4.11Å; A98-A229 WeakPolarHBondContact O-CA 3.44Å; A98-W230 PolarHBondContact N-O 2.96Å; A98-W230 PolarHBondContact O-N 3.22Å; A98-L232 HydrophobicContact CB-CD2 4.23Å; A98-L232 HydrophobicContact CB-CG 4.44Å
99V95Very high92.1Very high21 Ų2152.3 Ų52.313%0.12730%0.298CS..EExtended strand (participates in β ladder)trans-123.5152.1177-59.40000111.2V89 L94 Y122 A229V89-V99 HydrophobicContact CB-CG2 3.82Å; V89-V99 HydrophobicContact CG1-CG2 4.27Å; V89-V99 PolarHBondContact N-O 3.39Å; V89-V99 PolarHBondContact O-N 3.42Å; L94-V99 HydrophobicContact CD1-CG1 4.04Å; V99-Y122 HydrophobicContact CB-CD1 4.03Å; V99-Y122 HydrophobicContact CB-CE1 4.31Å; V99-Y122 HydrophobicContact CG2-CD1 3.93Å; V99-Y122 HydrophobicContact CG2-CE1 3.72Å; V99-A229 HydrophobicContact CG1-CB 4.19Å
100L95.6Very high92Very high0 Ų055.8 Ų55.80%031%0.312CS..EExtended strand (participates in β ladder)trans-106.4118.8172.9-72.2173.5000108.3M83 F86 N87 F88 Y122 L123 F174 L210 W230M83-L100 HydrophobicContact SD-CD2 4.31Å; F86-L100 HydrophobicContact CB-CB 4.11Å; F86-L100 HydrophobicContact CB-CD2 4.25Å; F86-L100 HydrophobicContact CD1-CB 4.46Å; F86-L100 HydrophobicContact CG-CB 4.32Å; N87-L100 WeakPolarHBondContact O-CA 3.48Å; F88-L100 HydrophobicContact CB-CD2 4.45Å; L100-Y122 CarbonylContact O-C 3.55Å; L100-Y122 VanDerWaalsContact O-CA 3.28Å; L100-Y122 WeakPolarHBondContact O-CA 3.5Å; L100-L123 HydrophobicContact CB-CB 3.99Å; L100-L123 HydrophobicContact CD1-CD2 4.02Å; L100-L123 PolarHBondContact O-N 3.43Å; L100-F174 HydrophobicContact CD1-CD2 3.64Å; L100-F174 HydrophobicContact CD1-CE2 3.91Å; L100-F174 HydrophobicContact CD1-CG 4.44Å; L100-L210 HydrophobicContact CD1-CD1 4.06Å; L100-L210 HydrophobicContact CD2-CD1 3.74Å; L100-L210 HydrophobicContact CG-CD1 3.93Å; L100-W230 HydrophobicContact CD1-CD2 4.36Å; L100-W230 HydrophobicContact CD1-CZ2 4.38Å
101K94.8Very high92Very high88 Ų8855.7 Ų55.738%0.38331%0.313SS..EExtended strand (participates in β ladder)trans-119.8137.9-177.2-169.2177.4-175.2172.10110.7F86 N87 V89 S103 Y122F86-K101 CarbonylContact C-O 3.25Å; F86-K101 WeakPolarHBondContact CA-O 3.12Å; N87-K101 PolarHBondContact N-O 3.24Å; N87-K101 PolarHBondContact O-N 3.22Å; V89-K101 HydrophobicContact CG2-CB 4.19Å; K101-S103 PolarHBondContact O-N 2.86Å; K101-Y122 HydrophobicContact CB-CD1 3.87Å; K101-Y122 HydrophobicContact CB-CE1 3.85Å; K101-Y122 HydrophobicContact CD-CD1 4.41Å; K101-Y122 HydrophobicContact CD-CE1 3.71Å; K101-Y122 HydrophobicContact CG-CD1 4.04Å; K101-Y122 HydrophobicContact CG-CE1 3.84Å
102L95.1Very high92.3Very high18 Ų1854.6 Ų54.69%0.09431%0.307CS..EExtended strand (participates in β ladder)trans-52.5130.2174.9-78.6174.8000110.7V85 F86 D104 R108 I117 G121V85-L102 HydrophobicContact CG2-CD2 3.73Å; F86-L102 HydrophobicContact CD1-CD2 4Å; F86-L102 HydrophobicContact CD1-CG 4.2Å; F86-L102 HydrophobicContact CE1-CD2 3.55Å; F86-L102 HydrophobicContact CE1-CG 3.76Å; F86-L102 HydrophobicContact CZ-CD2 4.02Å; L102-D104 VanDerWaalsContact C-N 3.27Å; L102-D104 PolarHBondContact O-N 2.95Å; L102-R108 HydrophobicContact CD1-CB 3.82Å; L102-R108 HydrophobicContact CD1-CG 4.19Å; L102-I117 HydrophobicContact CD1-CD1 4.2Å; L102-I117 HydrophobicContact CD1-CG2 3.86Å; L102-I117 HydrophobicContact CD2-CD1 4.09Å; L102-I117 HydrophobicContact CG-CD1 4.35Å; L102-I117 HydrophobicContact CG-CG2 4.22Å; L102-G121 PolarHBondContact N-O 3.39Å
103S94.1Very high93Very high46 Ų4652.6 Ų52.632%0.32229%0.285SS..SBendtrans-64.8-33.5174.653.90000112.4V85 K101V85-S103 WeakPolarHBondContact O-CB 3.5Å; V85-S103 PolarHBondContact O-N 2.81Å; V85-S103 PolarHBondContact O-OG 2.82Å; K101-S103 PolarHBondContact O-N 2.86Å
104D93Very high93.5Very high47 Ų4751.9 Ų51.925%0.25128%0.277SS..  trans-151.1132.6176.6-178.3-22000108.6L102 R106 K107L102-D104 VanDerWaalsContact C-N 3.27Å; L102-D104 PolarHBondContact O-N 2.95Å; D104-R106 PolarHBondContact O-N 2.92Å; D104-R106 WeakPolarHBondContact OD1-CB 3.33Å; D104-R106 WeakPolarHBondContact OD1-CG 3.39Å; D104-R106 PolarHBondContact OD1-N 2.84Å; D104-R106 IonicContact OD1-NE 3.26Å; D104-R106 PolarHBondContact OD1-NE 3.21Å; 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 2.83Å; D104-R106 IonicContact OD2-NH2 2.69Å; D104-R106 PolarHBondContact OD2-NH2 3.38Å; D104-K107 HydrophobicContact CB-CD 4.2Å; D104-K107 HydrophobicContact CB-CG 4.05Å; D104-K107 WeakPolarHBondContact O-CB 3.32Å; D104-K107 PolarHBondContact O-N 2.94Å
105G90.7Very high93.9Very high53 Ų5355 Ų5555%0.54629%0.292SS..G310 helixtrans-58.5-28.4179.600000113.6K107 R108G105-K107 PolarHBondContact O-N 3.22Å; G105-R108 VanDerWaalsContact O-CB 3.28Å; G105-R108 WeakPolarHBondContact O-CB 3.48Å; G105-R108 PolarHBondContact O-N 3.38Å
106R93.2Very high94.1Very high204 Ų20453.4 Ų53.477%0.7728%0.28SS*.G310 helixtrans-66.4-22.8176.5-63.9176.8-68.8179.3-0.9112.9D104 R108D104-R106 PolarHBondContact O-N 2.92Å; D104-R106 WeakPolarHBondContact OD1-CB 3.33Å; D104-R106 WeakPolarHBondContact OD1-CG 3.39Å; D104-R106 PolarHBondContact OD1-N 2.84Å; D104-R106 IonicContact OD1-NE 3.26Å; D104-R106 PolarHBondContact OD1-NE 3.21Å; 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 2.83Å; D104-R106 IonicContact OD2-NH2 2.69Å; D104-R106 PolarHBondContact OD2-NH2 3.38Å; R106-R108 VanDerWaalsContact C-N 3.29Å; R106-R108 PolarHBondContact O-N 3.47Å
107K92.8Very high94.2Very high81 Ų8153.6 Ų53.635%0.35228%0.279SS..G310 helixtrans-83.6-1.6179.5-63.2-171.6-177.7175.60113.3V85 D104 G105 S109 M110V85-K107 HydrophobicContact CB-CB 4.05Å; V85-K107 HydrophobicContact CB-CD 4.21Å; V85-K107 HydrophobicContact CG1-CB 4.03Å; V85-K107 HydrophobicContact CG1-CD 4.01Å; V85-K107 HydrophobicContact CG2-CB 4.43Å; D104-K107 HydrophobicContact CB-CD 4.2Å; D104-K107 HydrophobicContact CB-CG 4.05Å; D104-K107 WeakPolarHBondContact O-CB 3.32Å; D104-K107 PolarHBondContact O-N 2.94Å; G105-K107 PolarHBondContact O-N 3.22Å; K107-S109 VanDerWaalsContact C-N 3.33Å; K107-S109 PolarHBondContact O-N 2.91Å; K107-M110 HydrophobicContact CB-CE 3.58Å; K107-M110 HydrophobicContact CD-CE 3.75Å; K107-M110 HydrophobicContact CG-CE 3.4Å; K107-M110 WeakPolarHBondContact O-CB 3.32Å; K107-M110 PolarHBondContact O-N 3.31Å
108R94.3Very high94.2Very high77 Ų7754.3 Ų54.329%0.29128%0.284SS..G310 helixtrans-52.4-47.9-176.7178.1-179.7-71.3-95.53.9112.6L102 G105 R106 M110 S111 V114 I117 T118 A119L102-R108 HydrophobicContact CD1-CB 3.82Å; L102-R108 HydrophobicContact CD1-CG 4.19Å; G105-R108 VanDerWaalsContact O-CB 3.28Å; G105-R108 WeakPolarHBondContact O-CB 3.48Å; G105-R108 PolarHBondContact O-N 3.38Å; R106-R108 VanDerWaalsContact C-N 3.29Å; R106-R108 PolarHBondContact O-N 3.47Å; R108-M110 PolarHBondContact O-N 2.88Å; R108-S111 WeakPolarHBondContact O-CB 3.3Å; R108-S111 PolarHBondContact O-N 2.84Å; R108-V114 HydrophobicContact CG-CG2 4.1Å; R108-V114 WeakPolarHBondContact O-CG2 3.26Å; R108-I117 HydrophobicContact CG-CD1 4.09Å; R108-I117 PolarHBondContact NH1-O 2.86Å; R108-T118 PolarHBondContact NH1-O 3.09Å; R108-T118 PolarHBondContact NH2-O 2.85Å; R108-A119 PolarHBondContact NH2-O 3.11Å
109S93Very high94.1Very high101 Ų10159 Ų5971%0.70632%0.322SS*.G310 helixtrans-70.9-15.1-179.2520000114K107 S111K107-S109 VanDerWaalsContact C-N 3.33Å; K107-S109 PolarHBondContact O-N 2.91Å; S109-S111 VanDerWaalsContact C-N 3.34Å
110M92.7Very high94Very high122 Ų12262.1 Ų62.160%0.60135%0.345SS*.G310 helixtrans-85.4-9.9176.2-50.7-170.9-4100112.5V85 K107 R108V85-M110 HydrophobicContact CG1-CE 3.79Å; K107-M110 HydrophobicContact CB-CE 3.58Å; K107-M110 HydrophobicContact CD-CE 3.75Å; K107-M110 HydrophobicContact CG-CE 3.4Å; K107-M110 WeakPolarHBondContact O-CB 3.32Å; K107-M110 PolarHBondContact O-N 3.31Å; R108-M110 PolarHBondContact O-N 2.88Å
111S94Very high93.9Very high12 Ų1262.4 Ų62.48%0.08435%0.348CS..  trans-74.3133.8177.4-178.80000110.8F86 R108 S109 W113 V114F86-S111 WeakPolarHBondContact CE2-OG 3.49Å; R108-S111 WeakPolarHBondContact O-CB 3.3Å; R108-S111 PolarHBondContact O-N 2.84Å; S109-S111 VanDerWaalsContact C-N 3.34Å; S111-W113 PolarHBondContact O-N 3.36Å; S111-W113 VanDerWaalsContact O-N 3.15Å; S111-W113 PolarHBondContact OG-N 3.29Å; S111-W113 VanDerWaalsContact OG-N 3.15Å; S111-V114 PolarHBondContact O-N 3.26Å
112L94.3Very high93.9Very high79 Ų7961.2 Ų61.241%0.41434%0.342SS..THydrogen-bonded Turntrans-61.2-19.7170.6-171.964.1000112.7R51 N81R51-L112 HydrophobicContact CB-CD2 4.47Å; R51-L112 WeakPolarHBondContact CD-O 3.13Å; R51-L112 HydrophobicContact CG-CD1 3.86Å; R51-L112 HydrophobicContact CG-CD2 4.07Å; R51-L112 HydrophobicContact CG-CG 3.93Å; R51-L112 PolarHBondContact NH1-O 3Å; N81-L112 HydrophobicContact CB-CD2 3.97Å
113W95.4Very high94Very high2 Ų260.4 Ų60.41%0.00834%0.337CS..THydrogen-bonded Turntrans-114.729.4-172-53.6106.3000111.8R51 F52 L80 S111 E115 F116 L123 I128 F174R51-W113 HydrophobicContact CB-CH2 3.72Å; R51-W113 HydrophobicContact CB-CZ2 4.41Å; R51-W113 HydrophobicContact CB-CZ3 4.02Å; F52-W113 HydrophobicContact CD1-CH2 4.43Å; F52-W113 HydrophobicContact CE1-CH2 4.17Å; F52-W113 HydrophobicContact CE1-CZ3 4.1Å; F52-W113 HydrophobicContact CE2-CZ3 4.43Å; F52-W113 HydrophobicContact CZ-CH2 4.42Å; F52-W113 AromaticContact CZ-CZ3 3.93Å; F52-W113 HydrophobicContact CZ-CZ3 3.93Å; L80-W113 HydrophobicContact CB-CH2 4.43Å; L80-W113 HydrophobicContact CB-CZ2 3.85Å; L80-W113 HydrophobicContact CD1-CH2 4.17Å; L80-W113 HydrophobicContact CD1-CZ2 4.08Å; L80-W113 HydrophobicContact CD2-CH2 3.96Å; L80-W113 HydrophobicContact CD2-CZ2 4.25Å; L80-W113 HydrophobicContact CG-CH2 4.41Å; L80-W113 HydrophobicContact CG-CZ2 4.28Å; S111-W113 PolarHBondContact O-N 3.36Å; S111-W113 VanDerWaalsContact O-N 3.15Å; S111-W113 PolarHBondContact OG-N 3.29Å; S111-W113 VanDerWaalsContact OG-N 3.15Å; W113-E115 VanDerWaalsContact C-N 3.26Å; W113-E115 PolarHBondContact O-N 3.07Å; W113-F116 HydrophobicContact CB-CD2 4.01Å; W113-F116 AromaticContact CE3-CD2 3.83Å; W113-F116 HydrophobicContact CE3-CD2 3.83Å; W113-F116 AromaticContact CE3-CE2 3.76Å; W113-F116 HydrophobicContact CE3-CE2 3.76Å; W113-F116 HydrophobicContact CZ3-CE2 4.34Å; W113-F116 PolarHBondContact O-N 3.24Å; W113-L123 HydrophobicContact CB-CD1 3.67Å; W113-I128 HydrophobicContact CD2-CD1 4.46Å; W113-I128 HydrophobicContact CE3-CD1 4.37Å; W113-F174 AromaticContact NE1-CE1 3.8Å; W113-F174 AromaticContact NE1-CZ 3.73Å
114V95.2Very high94Very high62 Ų6258.2 Ų58.238%0.37632%0.322SS..G310 helixtrans-52.5-38.3-169.162.70000113.9R108 S111 F116 I117R108-V114 HydrophobicContact CG-CG2 4.1Å; R108-V114 WeakPolarHBondContact O-CG2 3.26Å; S111-V114 PolarHBondContact O-N 3.26Å; V114-F116 VanDerWaalsContact C-N 3.26Å; V114-F116 PolarHBondContact O-N 2.76Å; V114-I117 PolarHBondContact O-N 2.83Å
115E95Very high94.2Very high84 Ų8456 Ų5639%0.39331%0.31SS..G310 helixtrans-72.2-18.8-178.972.6-87.2-14100113.4R51 W113R51-E115 IonicContact CZ-OE1 3.59Å; R51-E115 VanDerWaalsContact NH1-CD 3.28Å; R51-E115 IonicContact NH1-OE1 3.14Å; R51-E115 PolarHBondContact NH1-OE1 3.34Å; R51-E115 IonicContact NH1-OE2 2.59Å; R51-E115 PolarHBondContact NH1-OE2 3.03Å; R51-E115 IonicContact NH2-OE1 3.34Å; R51-E115 PolarHBondContact NH2-OE1 3.47Å; W113-E115 VanDerWaalsContact C-N 3.26Å; W113-E115 PolarHBondContact O-N 3.07Å
116F95.6Very high94.4Very high14 Ų1459.4 Ų59.46%0.06131%0.307CS..G310 helixtrans-93.1-0.7179.3-52.3-60.4000112.8W113 V114 L123 S124 K127 I128 R131W113-F116 HydrophobicContact CB-CD2 4.01Å; W113-F116 AromaticContact CE3-CD2 3.83Å; W113-F116 HydrophobicContact CE3-CD2 3.83Å; W113-F116 AromaticContact CE3-CE2 3.76Å; W113-F116 HydrophobicContact CE3-CE2 3.76Å; W113-F116 HydrophobicContact CZ3-CE2 4.34Å; W113-F116 PolarHBondContact O-N 3.24Å; V114-F116 VanDerWaalsContact C-N 3.26Å; V114-F116 PolarHBondContact O-N 2.76Å; F116-L123 HydrophobicContact CB-CD1 3.92Å; F116-S124 WeakPolarHBondContact O-CB 3.47Å; F116-S124 PolarHBondContact O-N 3.46Å; F116-K127 HydrophobicContact CB-CB 4.39Å; F116-K127 HydrophobicContact CD1-CB 3.77Å; F116-I128 HydrophobicContact CB-CD1 4.35Å; F116-I128 HydrophobicContact CB-CG1 3.75Å; F116-I128 HydrophobicContact CD1-CG1 4.14Å; F116-I128 HydrophobicContact CD2-CD1 4.36Å; F116-I128 HydrophobicContact CD2-CG1 3.66Å; F116-I128 HydrophobicContact CE2-CG1 4.32Å; F116-I128 HydrophobicContact CG-CD1 4.47Å; F116-I128 HydrophobicContact CG-CG1 3.55Å; 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 3.86Å
117I95.2Very high94.5Very high10 Ų1054.1 Ų54.15%0.05129%0.29CS..BIsolated β-bridgetrans-83.8126.2178.2-49.8176.1000109.7F86 L102 R108 V114 Y122 L123F86-I117 HydrophobicContact CE1-CD1 4.06Å; F86-I117 HydrophobicContact CE1-CG1 4.13Å; F86-I117 HydrophobicContact CZ-CD1 3.63Å; F86-I117 HydrophobicContact CZ-CG1 3.77Å; L102-I117 HydrophobicContact CD1-CD1 4.2Å; L102-I117 HydrophobicContact CD1-CG2 3.86Å; L102-I117 HydrophobicContact CD2-CD1 4.09Å; L102-I117 HydrophobicContact CG-CD1 4.35Å; L102-I117 HydrophobicContact CG-CG2 4.22Å; R108-I117 HydrophobicContact CG-CD1 4.09Å; R108-I117 PolarHBondContact NH1-O 2.86Å; V114-I117 PolarHBondContact O-N 2.83Å; I117-Y122 CarbonylContact C-O 3.54Å; I117-Y122 WeakPolarHBondContact CA-O 3.44Å; I117-L123 HydrophobicContact CG1-CD1 4.21Å
118T94.4Very high94.7Very high17 Ų1750.3 Ų50.310%0.10427%0.273CS..  trans-68.2167.6176.265.30000112.5R108 S120 G121 Y122 D228R108-T118 PolarHBondContact NH1-O 3.09Å; R108-T118 PolarHBondContact NH2-O 2.85Å; T118-S120 PolarHBondContact O-N 2.82Å; T118-G121 PolarHBondContact O-N 2.68Å; T118-G121 PolarHBondContact OG1-N 3.06Å; T118-Y122 PolarHBondContact N-O 3.46Å; T118-Y122 PolarHBondContact OG1-N 3.32Å; T118-Y122 PolarHBondContact OG1-O 3.4Å; T118-D228 VanDerWaalsContact CG2-OD2 3.28Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.48Å
119A93.2Very high94.8Very high101 Ų10147.2 Ų47.284%0.83526%0.261SS*.THydrogen-bonded Turntrans-57.1-40.3174.600000110.8R108 G121R108-A119 PolarHBondContact NH2-O 3.11Å; A119-G121 PolarHBondContact O-N 2.62Å
120S92.5Very high95Very high86 Ų8645.5 Ų45.560%0.60125%0.249SC*.THydrogen-bonded Turntrans-73-1.3177-470000114.9T118T118-S120 PolarHBondContact O-N 2.82Å
121G94Very high95.2Very high7 Ų744.4 Ų44.47%0.07224%0.238CC..SBendtrans87.314.9173.900000115.5L102 T118 A119L102-G121 PolarHBondContact N-O 3.39Å; T118-G121 PolarHBondContact O-N 2.68Å; T118-G121 PolarHBondContact OG1-N 3.06Å; A119-G121 PolarHBondContact O-N 2.62Å
122Y94.8Very high95.4Very high63 Ų6343.9 Ų43.925%0.24723%0.234CC..BIsolated β-bridgetrans-89.9140.4175.4-61.9-74.3000111.4V99 L100 K101 I117 T118 S124V99-Y122 HydrophobicContact CB-CD1 4.03Å; V99-Y122 HydrophobicContact CB-CE1 4.31Å; V99-Y122 HydrophobicContact CG2-CD1 3.93Å; V99-Y122 HydrophobicContact CG2-CE1 3.72Å; L100-Y122 CarbonylContact O-C 3.55Å; L100-Y122 VanDerWaalsContact O-CA 3.28Å; L100-Y122 WeakPolarHBondContact O-CA 3.5Å; K101-Y122 HydrophobicContact CB-CD1 3.87Å; K101-Y122 HydrophobicContact CB-CE1 3.85Å; K101-Y122 HydrophobicContact CD-CD1 4.41Å; K101-Y122 HydrophobicContact CD-CE1 3.71Å; K101-Y122 HydrophobicContact CG-CD1 4.04Å; K101-Y122 HydrophobicContact CG-CE1 3.84Å; I117-Y122 CarbonylContact C-O 3.54Å; I117-Y122 WeakPolarHBondContact CA-O 3.44Å; T118-Y122 PolarHBondContact N-O 3.46Å; T118-Y122 PolarHBondContact OG1-N 3.32Å; T118-Y122 PolarHBondContact OG1-O 3.4Å; Y122-S124 PolarHBondContact O-N 3.04Å
123L95.7Very high95.6Very high0 Ų042 Ų420%022%0.223CC..BIsolated β-bridgetrans-81110.4170.9-175.264.1000109.7F86 L100 W113 F116 I117 A125 I128 F174 W230F86-L123 HydrophobicContact CD1-CB 4.07Å; F86-L123 HydrophobicContact CD2-CD2 3.99Å; F86-L123 HydrophobicContact CE1-CB 3.7Å; F86-L123 HydrophobicContact CE2-CB 4.27Å; F86-L123 HydrophobicContact CE2-CD1 4.19Å; F86-L123 HydrophobicContact CE2-CD2 3.75Å; F86-L123 HydrophobicContact CE2-CG 4.29Å; F86-L123 HydrophobicContact CZ-CB 3.84Å; F86-L123 HydrophobicContact CZ-CD1 3.85Å; 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 4.02Å; L100-L123 PolarHBondContact O-N 3.43Å; W113-L123 HydrophobicContact CB-CD1 3.67Å; F116-L123 HydrophobicContact CB-CD1 3.92Å; I117-L123 HydrophobicContact CG1-CD1 4.21Å; L123-A125 PolarHBondContact O-N 3.01Å; L123-I128 HydrophobicContact CD1-CD1 4.04Å; L123-I128 HydrophobicContact CD2-CD1 4.18Å; L123-I128 HydrophobicContact CG-CD1 4.06Å; L123-F174 HydrophobicContact CD2-CE2 3.52Å; L123-F174 HydrophobicContact CD2-CZ 3.73Å; L123-W230 HydrophobicContact CD2-CZ2 4.07Å; L123-W230 HydrophobicContact CG-CZ2 4.16Å; L123-W230 PolarHBondContact O-NE1 3.07Å
124S95.3Very high95.7Very high0 Ų044.9 Ų44.90%024%0.241CC..  trans-75.9111.9-174.2177.10000112.2F116 Y122 R126 K127 I128 D228F116-S124 WeakPolarHBondContact O-CB 3.47Å; F116-S124 PolarHBondContact O-N 3.46Å; Y122-S124 PolarHBondContact O-N 3.04Å; S124-R126 VanDerWaalsContact C-N 3.28Å; S124-R126 PolarHBondContact O-N 3.47Å; S124-K127 PolarHBondContact O-N 2.87Å; S124-K127 WeakPolarHBondContact OG-CG 3.4Å; S124-K127 PolarHBondContact OG-N 3.37Å; S124-K127 VanDerWaalsContact OG-N 3.08Å; S124-I128 PolarHBondContact O-N 2.92Å; S124-D228 WeakPolarHBondContact CB-OD1 3.42Å; S124-D228 PolarHBondContact OG-OD1 2.99Å
125A96.2Very high95.9Very high1 Ų142 Ų421%0.00822%0.224CC..Hα-helixtrans-55.3-46.1171.600000111.3L123 I128 R129 S212 D228 A229 W230L123-A125 PolarHBondContact O-N 3.01Å; A125-I128 PolarHBondContact O-N 3.14Å; A125-R129 PolarHBondContact O-N 3.2Å; A125-S212 PolarHBondContact O-OG 2.9Å; A125-D228 PolarHBondContact N-O 3.24Å; A125-A229 WeakPolarHBondContact CB-O 3.37Å; A125-W230 HydrophobicContact CB-CD2 3.76Å; A125-W230 HydrophobicContact CB-CE3 4.24Å; A125-W230 HydrophobicContact CB-CG 4.04Å; A125-W230 HydrophobicContact CB-CH2 4.46Å; A125-W230 HydrophobicContact CB-CZ2 4.01Å
126R94.9Very high96.1Very high125 Ų12538 Ų3847%0.47221%0.205SC..Hα-helixtrans-61.8-45.9-179.8-179.6-169.2-63.3172.4-9.8112.9S124 I128 R129 S130 S227S124-R126 VanDerWaalsContact C-N 3.28Å; S124-R126 PolarHBondContact O-N 3.47Å; R126-I128 VanDerWaalsContact C-N 3.32Å; R126-I128 PolarHBondContact O-N 3.36Å; R126-R129 PolarHBondContact O-N 3.23Å; R126-S130 WeakPolarHBondContact O-CB 3.46Å; R126-S130 PolarHBondContact O-N 3.02Å; R126-S227 VanDerWaalsContact CB-O 3.28Å; R126-S227 WeakPolarHBondContact CB-O 3.36Å; R126-S227 PolarHBondContact NE-O 3.41Å; R126-S227 PolarHBondContact NH1-OG 3.41Å; R126-S227 VanDerWaalsContact NH2-CA 3.26Å
127K95.9Very high96.2Very high93 Ų9338.7 Ų38.740%0.40421%0.213SC..Hα-helixtrans-63.6-40.1-179.9-68.1-179.2177-173.30111.5F116 S124 S130 R131F116-K127 HydrophobicContact CB-CB 4.39Å; F116-K127 HydrophobicContact CD1-CB 3.77Å; S124-K127 PolarHBondContact O-N 2.87Å; S124-K127 WeakPolarHBondContact OG-CG 3.4Å; S124-K127 PolarHBondContact OG-N 3.37Å; S124-K127 VanDerWaalsContact OG-N 3.08Å; K127-S130 PolarHBondContact O-N 2.8Å; K127-R131 PolarHBondContact O-N 2.82Å
128I96.9Very high96.3Very high0 Ų041.9 Ų41.90%023%0.228CC..Hα-helixtrans-60-50.4173.3-72.1178.4000110.3F52 L80 W113 F116 L123 S124 A125 R126 S130 R131 F132 P172 W230F52-I128 HydrophobicContact CE1-CG2 4.2Å; F52-I128 HydrophobicContact CZ-CG2 4.28Å; L80-I128 HydrophobicContact CD1-CD1 4.48Å; L80-I128 HydrophobicContact CD1-CG2 4.09Å; W113-I128 HydrophobicContact CD2-CD1 4.46Å; W113-I128 HydrophobicContact CE3-CD1 4.37Å; F116-I128 HydrophobicContact CB-CD1 4.35Å; F116-I128 HydrophobicContact CB-CG1 3.75Å; F116-I128 HydrophobicContact CD1-CG1 4.14Å; F116-I128 HydrophobicContact CD2-CD1 4.36Å; F116-I128 HydrophobicContact CD2-CG1 3.66Å; F116-I128 HydrophobicContact CE2-CG1 4.32Å; F116-I128 HydrophobicContact CG-CD1 4.47Å; F116-I128 HydrophobicContact CG-CG1 3.55Å; L123-I128 HydrophobicContact CD1-CD1 4.04Å; L123-I128 HydrophobicContact CD2-CD1 4.18Å; L123-I128 HydrophobicContact CG-CD1 4.06Å; S124-I128 PolarHBondContact O-N 2.92Å; A125-I128 PolarHBondContact O-N 3.14Å; R126-I128 VanDerWaalsContact C-N 3.32Å; R126-I128 PolarHBondContact O-N 3.36Å; I128-S130 PolarHBondContact O-N 2.89Å; I128-R131 PolarHBondContact O-N 3.27Å; I128-F132 WeakPolarHBondContact O-CB 3.3Å; I128-F132 PolarHBondContact O-N 3.29Å; I128-P172 HydrophobicContact CG2-CB 4.13Å; I128-W230 HydrophobicContact CD1-CH2 3.84Å; I128-W230 HydrophobicContact CD1-CZ2 3.91Å
129R97.3Very high96.5Very high13 Ų1341.1 Ų41.15%0.04922%0.223CC..Hα-helixtrans-61.6-41.8179.9-178.3169.269.7-114.512.5112.5A125 R126 F132 Q133 S156 E157 S212A125-R129 PolarHBondContact O-N 3.2Å; R126-R129 PolarHBondContact O-N 3.23Å; R129-F132 PolarHBondContact O-N 3.47Å; R129-Q133 VanDerWaalsContact O-CB 3.31Å; R129-Q133 WeakPolarHBondContact O-CB 3.44Å; R129-Q133 PolarHBondContact O-N 2.96Å; R129-S156 WeakPolarHBondContact CD-O 3.31Å; R129-S156 VanDerWaalsContact CG-O 3.32Å; R129-S156 WeakPolarHBondContact CG-O 3.35Å; R129-S156 PolarHBondContact NE-O 2.92Å; R129-S156 VanDerWaalsContact NE-O 3.12Å; R129-S156 PolarHBondContact NE-OG 3.12Å; R129-S156 PolarHBondContact NH2-OG 3.03Å; R129-S156 VanDerWaalsContact NH2-OG 3.12Å; R129-E157 WeakPolarHBondContact CD-OE2 3.43Å; R129-E157 IonicContact NE-OE2 2.74Å; R129-S212 WeakPolarHBondContact CB-OG 3.32Å; R129-S212 WeakPolarHBondContact CD-O 3.33Å; R129-S212 VanDerWaalsContact NH1-C 3.26Å; R129-S212 PolarHBondContact NH1-O 3.35Å; R129-S212 PolarHBondContact NH1-OG 3.11Å
130S96.4Very high96.7Very high64 Ų6436.7 Ų36.745%0.44819%0.186SC..Hα-helixtrans-62.2-45.1177.4176.90000111.9R126 K127 I128 Q133 T134R126-S130 WeakPolarHBondContact O-CB 3.46Å; R126-S130 PolarHBondContact O-N 3.02Å; K127-S130 PolarHBondContact O-N 2.8Å; I128-S130 PolarHBondContact O-N 2.89Å; S130-Q133 PolarHBondContact O-N 3.02Å; S130-T134 PolarHBondContact O-N 3.13Å; S130-T134 VanDerWaalsContact O-N 3.16Å; S130-T134 PolarHBondContact O-OG1 3.16Å
131R97.8Very high96.9Very high100 Ų10038.4 Ų38.438%0.37719%0.188SC..Hα-helixtrans-63.1-46.1174.3176.659.3173.5174.91.5111.6F116 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 3.86Å; K127-R131 PolarHBondContact O-N 2.82Å; I128-R131 PolarHBondContact O-N 3.27Å; R131-Q133 VanDerWaalsContact C-N 3.31Å; R131-Q133 PolarHBondContact O-N 3.47Å; R131-T134 PolarHBondContact O-N 2.92Å; R131-L135 HydrophobicContact CG-CD1 4.15Å; R131-L135 WeakPolarHBondContact O-CG 3.35Å; R131-L135 PolarHBondContact O-N 3.21Å; R131-L135 VanDerWaalsContact O-N 3.09Å
132F98.3Very high97.1Very high0 Ų043.8 Ų43.80%021%0.21CC..Hα-helixtrans-60.8-40.5178.7-176.7-118.2000111.8L42 V45 F52 L78 I128 R129 T134 L135 V136 V158 I170 P172L42-F132 HydrophobicContact CD2-CE2 4.08Å; L42-F132 HydrophobicContact CD2-CZ 3.79Å; V45-F132 HydrophobicContact CG1-CD2 4.32Å; V45-F132 HydrophobicContact CG1-CE2 4.04Å; F52-F132 HydrophobicContact CB-CD2 4.4Å; F52-F132 HydrophobicContact CB-CE2 4.32Å; 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 4.36Å; F52-F132 HydrophobicContact CD2-CD2 4.11Å; F52-F132 HydrophobicContact CE1-CB 4.05Å; F52-F132 AromaticContact CE1-CD2 3.79Å; F52-F132 HydrophobicContact CE1-CD2 3.79Å; F52-F132 HydrophobicContact CE1-CG 4.14Å; F52-F132 HydrophobicContact CE2-CB 4.48Å; F52-F132 HydrophobicContact CE2-CD2 4.29Å; F52-F132 AromaticContact CG-CD2 3.79Å; F52-F132 HydrophobicContact CG-CD2 3.79Å; F52-F132 HydrophobicContact CG-CE2 4.17Å; F52-F132 HydrophobicContact CZ-CB 3.93Å; F52-F132 HydrophobicContact CZ-CD2 4.15Å; F52-F132 HydrophobicContact CZ-CG 4.42Å; L78-F132 HydrophobicContact CD2-CD2 4.37Å; L78-F132 HydrophobicContact CD2-CE1 4.24Å; L78-F132 HydrophobicContact CD2-CE2 3.55Å; L78-F132 HydrophobicContact CD2-CZ 3.49Å; L78-F132 VanDerWaalsContact CD2-CZ 3.49Å; I128-F132 WeakPolarHBondContact O-CB 3.3Å; I128-F132 PolarHBondContact O-N 3.29Å; R129-F132 PolarHBondContact O-N 3.47Å; F132-T134 PolarHBondContact O-N 3.5Å; F132-L135 PolarHBondContact O-N 3.07Å; F132-V136 HydrophobicContact CD1-CG2 4.36Å; F132-V136 HydrophobicContact CD2-CG2 4.21Å; F132-V136 HydrophobicContact CE1-CG2 3.95Å; F132-V136 HydrophobicContact CE2-CG2 3.79Å; F132-V136 HydrophobicContact CG-CG2 4.46Å; F132-V136 HydrophobicContact CZ-CG2 3.63Å; F132-V136 WeakPolarHBondContact O-CG2 3.45Å; F132-V136 PolarHBondContact O-N 3.22Å; F132-V158 HydrophobicContact CD1-CB 4.21Å; F132-V158 HydrophobicContact CD1-CG1 4.36Å; F132-V158 HydrophobicContact CD1-CG2 3.58Å; F132-V158 HydrophobicContact CE1-CB 4.14Å; F132-V158 HydrophobicContact CE1-CG1 3.99Å; F132-V158 HydrophobicContact CE1-CG2 4.03Å; 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 3.5Å; F132-P172 HydrophobicContact CE1-CG 4.06Å; F132-P172 HydrophobicContact CG-CG 3.97Å
133Q98.1Very high97.2Very high40 Ų4040.8 Ų40.819%0.18720%0.198CC..Hα-helixtrans-59.5-44.3174.5-171.3-179.136.600112.1R129 S130 R131 L135 V136 A137 M151 T155 V158R129-Q133 VanDerWaalsContact O-CB 3.31Å; R129-Q133 WeakPolarHBondContact O-CB 3.44Å; R129-Q133 PolarHBondContact O-N 2.96Å; S130-Q133 PolarHBondContact O-N 3.02Å; R131-Q133 VanDerWaalsContact C-N 3.31Å; R131-Q133 PolarHBondContact O-N 3.47Å; Q133-L135 VanDerWaalsContact C-N 3.35Å; Q133-L135 PolarHBondContact O-N 2.57Å; Q133-V136 PolarHBondContact O-N 2.83Å; Q133-A137 WeakPolarHBondContact O-CB 3.5Å; Q133-A137 PolarHBondContact O-N 3.4Å; Q133-M151 HydrophobicContact CG-CE 4.17Å; Q133-M151 HydrophobicContact CG-SD 3.96Å; Q133-T155 PolarHBondContact NE2-O 2.87Å; Q133-V158 HydrophobicContact CB-CG2 3.73Å; Q133-V158 HydrophobicContact CG-CG2 4.18Å
134T97.9Very high97.3Very high62 Ų6244.9 Ų44.938%0.3823%0.227SC..Hα-helixtrans-61.3-43.1175.5-55.90000112S130 R131 F132 A137 Q138S130-T134 PolarHBondContact O-N 3.13Å; S130-T134 VanDerWaalsContact O-N 3.16Å; S130-T134 PolarHBondContact O-OG1 3.16Å; R131-T134 PolarHBondContact O-N 2.92Å; F132-T134 PolarHBondContact O-N 3.5Å; T134-A137 PolarHBondContact O-N 3.01Å; T134-Q138 WeakPolarHBondContact O-CG 3.38Å; T134-Q138 PolarHBondContact O-N 3.3Å
135L98.5Very high97.4Very high1 Ų148.8 Ų48.81%0.00524%0.242CC..Hα-helixtrans-64.6-43.6178.5-68.8165000111.5V45 Q48 E49 F52 R131 F132 Q133 Q138 A139V45-L135 HydrophobicContact CG1-CB 3.97Å; V45-L135 HydrophobicContact CG1-CD1 4.31Å; V45-L135 HydrophobicContact CG2-CB 4.34Å; Q48-L135 HydrophobicContact CB-CD2 3.94Å; E49-L135 HydrophobicContact CB-CD1 3.58Å; E49-L135 HydrophobicContact CB-CD2 4.1Å; E49-L135 HydrophobicContact CG-CD1 3.87Å; F52-L135 HydrophobicContact CD2-CD1 3.63Å; F52-L135 HydrophobicContact CE2-CD1 3.59Å; R131-L135 HydrophobicContact CG-CD1 4.15Å; R131-L135 WeakPolarHBondContact O-CG 3.35Å; R131-L135 PolarHBondContact O-N 3.21Å; R131-L135 VanDerWaalsContact O-N 3.09Å; F132-L135 PolarHBondContact O-N 3.07Å; Q133-L135 VanDerWaalsContact C-N 3.35Å; Q133-L135 PolarHBondContact O-N 2.57Å; L135-Q138 PolarHBondContact O-N 3.27Å; L135-A139 WeakPolarHBondContact O-CB 3.46Å; L135-A139 PolarHBondContact O-N 2.94Å
136V98.6Very high97.4Very high0 Ų054.8 Ų54.80%027%0.265CS..Hα-helixtrans-66.3-39.8178.3172.20000111.2V41 V45 F132 Q133 Q138 A139 V140 M151 V158 L160V41-V136 HydrophobicContact CG1-CG1 4.06Å; V45-V136 HydrophobicContact CG2-CB 4.43Å; V45-V136 HydrophobicContact CG2-CG2 3.69Å; F132-V136 HydrophobicContact CD1-CG2 4.36Å; F132-V136 HydrophobicContact CD2-CG2 4.21Å; F132-V136 HydrophobicContact CE1-CG2 3.95Å; F132-V136 HydrophobicContact CE2-CG2 3.79Å; F132-V136 HydrophobicContact CG-CG2 4.46Å; F132-V136 HydrophobicContact CZ-CG2 3.63Å; F132-V136 WeakPolarHBondContact O-CG2 3.45Å; F132-V136 PolarHBondContact O-N 3.22Å; Q133-V136 PolarHBondContact O-N 2.83Å; V136-Q138 VanDerWaalsContact C-N 3.27Å; V136-Q138 PolarHBondContact O-N 3.26Å; V136-A139 PolarHBondContact O-N 2.88Å; V136-A139 VanDerWaalsContact O-N 3.14Å; V136-V140 HydrophobicContact CG1-CG1 4.32Å; V136-V140 WeakPolarHBondContact O-CG1 3.08Å; V136-V140 PolarHBondContact O-N 2.78Å; V136-M151 HydrophobicContact CG1-SD 4.49Å; V136-V158 HydrophobicContact CB-CG1 3.86Å; V136-V158 HydrophobicContact CG1-CG1 3.64Å; V136-V158 HydrophobicContact CG2-CG1 3.84Å; V136-L160 HydrophobicContact CG1-CD2 3.76Å
137A98Very high97.6Very high29 Ų2955.1 Ų55.124%0.2428%0.276CS..Hα-helixtrans-57.1-41.2173.900000112Q133 T134 V140 M151Q133-A137 WeakPolarHBondContact O-CB 3.5Å; Q133-A137 PolarHBondContact O-N 3.4Å; T134-A137 PolarHBondContact O-N 3.01Å; A137-V140 WeakPolarHBondContact O-CG2 3.44Å; A137-M151 HydrophobicContact CB-CE 3.55Å; A137-M151 HydrophobicContact CB-SD 3.86Å
138Q97.7Very high97.7Very high78 Ų7853 Ų5336%0.36427%0.27SS..Hα-helixtrans-73.7-34176.4-67.3170.1-6.900112.5Q48 T134 L135 V136 K142Q48-Q138 VanDerWaalsContact OE1-OE1 3.08Å; T134-Q138 WeakPolarHBondContact O-CG 3.38Å; T134-Q138 PolarHBondContact O-N 3.3Å; L135-Q138 PolarHBondContact O-N 3.27Å; V136-Q138 VanDerWaalsContact C-N 3.27Å; V136-Q138 PolarHBondContact O-N 3.26Å; Q138-K142 WeakPolarHBondContact O-CG 3.45Å
139A98.3Very high97.7Very high0 Ų053.1 Ų53.10%027%0.271CS..Hα-helixtrans-69.6-39.7179.600000112.2V41 E44 V45 L135 V136 D141 K142 C143V41-A139 HydrophobicContact CG1-CB 4.04Å; E44-A139 HydrophobicContact CB-CB 3.73Å; V45-A139 HydrophobicContact CG2-CB 3.6Å; L135-A139 WeakPolarHBondContact O-CB 3.46Å; L135-A139 PolarHBondContact O-N 2.94Å; V136-A139 PolarHBondContact O-N 2.88Å; V136-A139 VanDerWaalsContact O-N 3.14Å; A139-D141 PolarHBondContact O-N 2.97Å; A139-K142 PolarHBondContact O-N 3.29Å; A139-K142 VanDerWaalsContact O-N 3.08Å; A139-C143 VanDerWaalsContact O-CB 3.27Å; A139-C143 WeakPolarHBondContact O-CB 3.48Å; A139-C143 PolarHBondContact O-N 3.19Å
140V98.1Very high97.8Very high8 Ų858 Ų585%0.04829%0.293CS..Hα-helixtrans-60.7-32.6178.5-66.70000112.4V41 V136 A137 K142 C143 R146 V149 M151 L160V41-V140 HydrophobicContact CG1-CG1 4.14Å; V41-V140 HydrophobicContact CG2-CG1 4.2Å; V136-V140 HydrophobicContact CG1-CG1 4.32Å; V136-V140 WeakPolarHBondContact O-CG1 3.08Å; V136-V140 PolarHBondContact O-N 2.78Å; A137-V140 WeakPolarHBondContact O-CG2 3.44Å; V140-K142 VanDerWaalsContact C-N 3.34Å; V140-C143 PolarHBondContact O-SG 2.68Å; V140-C143 VanDerWaalsContact O-SG 3.33Å; V140-R146 WeakPolarHBondContact O-CA 3.43Å; V140-R146 VanDerWaalsContact O-CB 3.24Å; V140-R146 WeakPolarHBondContact O-CB 3.36Å; V140-V149 HydrophobicContact CB-CG1 4.24Å; V140-V149 HydrophobicContact CG1-CG1 4.26Å; V140-V149 HydrophobicContact CG1-CG2 4.28Å; V140-M151 HydrophobicContact CG2-CB 4.42Å; V140-L160 HydrophobicContact CG1-CD2 3.62Å
141D97.1Very high97.8Very high122 Ų12257.6 Ų57.665%0.65228%0.284SS*.Hα-helixtrans-74-24.4177.8-67.4-27.4000113.2A139A139-D141 PolarHBondContact O-N 2.97Å
142K96.7Very high97.8Very high120 Ų12054.2 Ų54.252%0.52227%0.273SS..Hα-helixtrans-102.6-22.9-174.5-65.4174.5-174.1172.60113.8Q138 A139 V140Q138-K142 WeakPolarHBondContact O-CG 3.45Å; A139-K142 PolarHBondContact O-N 3.29Å; A139-K142 VanDerWaalsContact O-N 3.08Å; V140-K142 VanDerWaalsContact C-N 3.34Å
143C97.3Very high97.6Very high0 Ų057.5 Ų57.50%030%0.301CS..SBendtrans-65.3163-172.976.80000113.2D40 V41 E44 A139 V140 Y145 R146 V149D40-C143 VanDerWaalsContact OD2-CB 3.23Å; D40-C143 WeakPolarHBondContact OD2-CB 3.46Å; 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 3.48Å; A139-C143 PolarHBondContact O-N 3.19Å; V140-C143 PolarHBondContact O-SG 2.68Å; V140-C143 VanDerWaalsContact O-SG 3.33Å; C143-Y145 PolarHBondContact O-N 3.44Å; C143-R146 WeakPolarHBondContact O-CB 3.35Å; C143-R146 PolarHBondContact O-N 2.97Å; C143-R146 PolarHBondContact SG-N 2.79Å; C143-R146 VanDerWaalsContact SG-N 3.42Å; C143-V149 VanDerWaalsContact SG-CG1 3.58Å
144S97.9Very high97.4Very high86 Ų8664 Ų6460%0.60134%0.337SS*.THydrogen-bonded Turntrans-61.1-25177.8-50.10000112.3D40D40-S144 WeakPolarHBondContact OD1-CB 3.4Å; D40-S144 PolarHBondContact OD1-OG 2.75Å; D40-S144 WeakPolarHBondContact OD2-CA 3.12Å; D40-S144 WeakPolarHBondContact OD2-CB 3.33Å; D40-S144 PolarHBondContact OD2-N 3.38Å; D40-S144 PolarHBondContact OD2-OG 3.19Å
145Y98.1Very high97.1Very high82 Ų8263 Ų6332%0.32233%0.331SS..THydrogen-bonded Turntrans-101.814-177.8-65.4-84.2000114.5V37 D40 C143 D147 V148 V149V37-Y145 HydrophobicContact CB-CD2 4.44Å; V37-Y145 HydrophobicContact CB-CG 4.4Å; V37-Y145 HydrophobicContact CG1-CD2 4.49Å; V37-Y145 HydrophobicContact CG1-CG 4.25Å; V37-Y145 HydrophobicContact CG2-CD1 3.83Å; V37-Y145 HydrophobicContact CG2-CD2 4.23Å; V37-Y145 HydrophobicContact CG2-CE1 4.12Å; V37-Y145 HydrophobicContact CG2-CG 3.88Å; D40-Y145 HydrophobicContact CB-CD2 3.69Å; D40-Y145 HydrophobicContact CB-CE2 3.8Å; D40-Y145 WeakPolarHBondContact OD2-CD2 3.21Å; C143-Y145 PolarHBondContact O-N 3.44Å; Y145-D147 PolarHBondContact O-N 2.84Å; Y145-V148 HydrophobicContact CD1-CG2 3.98Å; Y145-V148 HydrophobicContact CG-CG2 4.41Å; Y145-V148 VanDerWaalsContact O-CG2 3.25Å; Y145-V148 WeakPolarHBondContact O-CG2 3.27Å; Y145-V148 PolarHBondContact O-N 3.24Å; Y145-V149 WeakPolarHBondContact O-CG1 3.31Å; Y145-V149 PolarHBondContact O-N 3.46Å
146R96.8Very high96.9Very high128 Ų12864.7 Ų64.748%0.48334%0.343SS..THydrogen-bonded Turntrans-48.9-30.6-175.267.9-173.7179.9-76.7-10.3115.5V140 C143 V148V140-R146 WeakPolarHBondContact O-CA 3.43Å; V140-R146 VanDerWaalsContact O-CB 3.24Å; V140-R146 WeakPolarHBondContact O-CB 3.36Å; C143-R146 WeakPolarHBondContact O-CB 3.35Å; C143-R146 PolarHBondContact O-N 2.97Å; C143-R146 PolarHBondContact SG-N 2.79Å; C143-R146 VanDerWaalsContact SG-N 3.42Å; R146-V148 VanDerWaalsContact C-N 3.29Å; R146-V148 PolarHBondContact O-N 3.42Å
147D97.5Very high96.8Very high132 Ų13265.3 Ų65.371%0.70635%0.345SS*.THydrogen-bonded Turntrans-75.6-17.8179.9-59.3-34.7000113.2Y145Y145-D147 PolarHBondContact O-N 2.84Å
148V97.7Very high96.8Very high48 Ų4863.9 Ų63.929%0.29133%0.334SS..THydrogen-bonded Turntrans-121.2-5.2-176.1-58.80000113.7Y145 R146 I162 R163Y145-V148 HydrophobicContact CD1-CG2 3.98Å; Y145-V148 HydrophobicContact CG-CG2 4.41Å; Y145-V148 VanDerWaalsContact O-CG2 3.25Å; Y145-V148 WeakPolarHBondContact O-CG2 3.27Å; Y145-V148 PolarHBondContact O-N 3.24Å; R146-V148 VanDerWaalsContact C-N 3.29Å; R146-V148 PolarHBondContact O-N 3.42Å; V148-I162 CarbonylContact O-C 3.58Å; V148-I162 WeakPolarHBondContact O-CA 3.48Å; V148-R163 HydrophobicContact CB-CG 3.86Å; V148-R163 HydrophobicContact CG1-CG 4.24Å; V148-R163 HydrophobicContact CG2-CG 4.48Å; V148-R163 PolarHBondContact O-N 3.36Å
149V98.4Very high96.8Very high3 Ų363.1 Ų63.12%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-119.6133.117770.50000110.7V37 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 3.93Å; V41-V149 HydrophobicContact CG2-CG1 4.25Å; V140-V149 HydrophobicContact CB-CG1 4.24Å; V140-V149 HydrophobicContact CG1-CG1 4.26Å; V140-V149 HydrophobicContact CG1-CG2 4.28Å; C143-V149 VanDerWaalsContact SG-CG1 3.58Å; Y145-V149 WeakPolarHBondContact O-CG1 3.31Å; Y145-V149 PolarHBondContact O-N 3.46Å; 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 4.38Å; V149-R161 WeakPolarHBondContact CA-O 3.42Å; V149-I162 HydrophobicContact CG2-CG1 4.03Å
150K98Very high96.9Very high116 Ų11663.1 Ų63.150%0.50433%0.329SS..EExtended strand (participates in β ladder)trans-132.5147.7172.7-65.1177.8-173.7157.20109.8L160 R161 E164K150-L160 CarbonylContact O-C 3.4Å; K150-L160 WeakPolarHBondContact O-CA 3.38Å; K150-R161 PolarHBondContact N-O 3.23Å; K150-R161 PolarHBondContact O-N 2.82Å; K150-E164 IonicContact NZ-OE1 3.99Å; K150-E164 PolarHBondContact NZ-OE1 2.95Å
151M97.7Very high96.9Very high54 Ų5467.1 Ų67.127%0.26634%0.343SS..EExtended strand (participates in β ladder)trans-78.3137.1168.5-163.5175.670.100109.8Q133 V136 A137 V140 K159Q133-M151 HydrophobicContact CG-CE 4.17Å; Q133-M151 HydrophobicContact CG-SD 3.96Å; V136-M151 HydrophobicContact CG1-SD 4.49Å; A137-M151 HydrophobicContact CB-CE 3.55Å; A137-M151 HydrophobicContact CB-SD 3.86Å; V140-M151 HydrophobicContact CG2-CB 4.42Å; M151-K159 CarbonylContact C-O 3.47Å; M151-K159 WeakPolarHBondContact CA-O 3.45Å
152I97.7Very high96.9Very high29 Ų2961.3 Ų61.315%0.14931%0.312CS..  trans-75.8128.7174-59.7-176.5000108.6K159 R161 V167I152-K159 HydrophobicContact CB-CB 4.03Å; I152-K159 HydrophobicContact CD1-CB 3.96Å; I152-K159 HydrophobicContact CG1-CB 4.16Å; I152-K159 PolarHBondContact N-O 2.76Å; I152-R161 HydrophobicContact CD1-CB 4.31Å; I152-R161 HydrophobicContact CG1-CB 4.02Å; I152-V167 HydrophobicContact CD1-CB 4.45Å; I152-V167 HydrophobicContact CD1-CG1 3.63Å; I152-V167 HydrophobicContact CD1-CG2 3.99Å
153A94.6Very high97Very high70 Ų7062.6 Ų62.658%0.57931%0.314SS*.  trans-80.7176.6177.600000112.7T155A153-T155 VanDerWaalsContact C-N 3.32Å; A153-T155 PolarHBondContact O-N 3.42Å
154D92Very high96.9Very high176 Ų17668.1 Ų68.194%0.94134%0.34SS*.SBendtrans58.834.4172.4-52.1-38.7000115.3
155T93.6Very high96.9Very high41 Ų4171.8 Ų71.825%0.25234%0.34SS..SBendtrans-147.8151.5175.2-177.70000110.7Q133 A153 E157Q133-T155 PolarHBondContact NE2-O 2.87Å; A153-T155 VanDerWaalsContact C-N 3.32Å; A153-T155 PolarHBondContact O-N 3.42Å; T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 HydrophobicContact CG2-CB 4.46Å; T155-E157 WeakPolarHBondContact CG2-O 3.4Å; T155-E157 PolarHBondContact OG1-N 3.32Å
156S93.4Very high96.9Very high37 Ų3768.5 Ų68.526%0.25933%0.328SS..SBendtrans-82-7.6169.785.60000113R129 E214R129-S156 WeakPolarHBondContact CD-O 3.31Å; R129-S156 VanDerWaalsContact CG-O 3.32Å; R129-S156 WeakPolarHBondContact CG-O 3.35Å; R129-S156 PolarHBondContact NE-O 2.92Å; R129-S156 VanDerWaalsContact NE-O 3.12Å; R129-S156 PolarHBondContact NE-OG 3.12Å; R129-S156 PolarHBondContact NH2-OG 3.03Å; R129-S156 VanDerWaalsContact NH2-OG 3.12Å; S156-E214 VanDerWaalsContact CB-OE1 3.32Å; S156-E214 WeakPolarHBondContact CB-OE1 3.41Å; S156-E214 WeakPolarHBondContact OG-CG 3.45Å; S156-E214 PolarHBondContact OG-OE1 3.44Å
157E96Very high97Very high12 Ų1264 Ų646%0.05631%0.314CS..SBendtrans-82.4147.3178.3-58.6-64.5179.200111.5R129 T155 K159 Q169 K213 E214R129-E157 WeakPolarHBondContact CD-OE2 3.43Å; R129-E157 IonicContact NE-OE2 2.74Å; T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 HydrophobicContact CG2-CB 4.46Å; T155-E157 WeakPolarHBondContact CG2-O 3.4Å; T155-E157 PolarHBondContact OG1-N 3.32Å; E157-K159 HydrophobicContact CB-CD 4.32Å; E157-K159 HydrophobicContact CB-CG 4.08Å; E157-K159 PolarHBondContact O-N 2.91Å; E157-Q169 PolarHBondContact OE2-NE2 2.99Å; E157-K213 WeakPolarHBondContact OE1-CA 3.32Å; E157-K213 WeakPolarHBondContact OE1-CB 3.33Å; E157-E214 PolarHBondContact OE1-N 3.12Å
158V98.3Very high97.1Very high0 Ų057.7 Ų57.70%028%0.28CS..  trans-84.6100.3172.3-179.10000108.6F132 Q133 V136 Q169 I170F132-V158 HydrophobicContact CD1-CB 4.21Å; F132-V158 HydrophobicContact CD1-CG1 4.36Å; F132-V158 HydrophobicContact CD1-CG2 3.58Å; F132-V158 HydrophobicContact CE1-CB 4.14Å; F132-V158 HydrophobicContact CE1-CG1 3.99Å; F132-V158 HydrophobicContact CE1-CG2 4.03Å; Q133-V158 HydrophobicContact CB-CG2 3.73Å; Q133-V158 HydrophobicContact CG-CG2 4.18Å; V136-V158 HydrophobicContact CB-CG1 3.86Å; V136-V158 HydrophobicContact CG1-CG1 3.64Å; V136-V158 HydrophobicContact CG2-CG1 3.84Å; V158-Q169 CarbonylContact O-C 3.57Å; V158-Q169 VanDerWaalsContact O-CA 3.31Å; V158-Q169 WeakPolarHBondContact O-CA 3.4Å; V158-I170 HydrophobicContact CG1-CB 4.28Å; V158-I170 PolarHBondContact O-N 3.1Å
159K98.5Very high97.1Very high62 Ų6256.3 Ų56.327%0.2727%0.271SS..EExtended strand (participates in β ladder)trans-121.7126.7179.6-67.1-178.4178.7178.90111.2M151 I152 E157 V167 V168 Q169M151-K159 CarbonylContact C-O 3.47Å; M151-K159 WeakPolarHBondContact CA-O 3.45Å; I152-K159 HydrophobicContact CB-CB 4.03Å; I152-K159 HydrophobicContact CD1-CB 3.96Å; I152-K159 HydrophobicContact CG1-CB 4.16Å; I152-K159 PolarHBondContact N-O 2.76Å; E157-K159 HydrophobicContact CB-CD 4.32Å; E157-K159 HydrophobicContact CB-CG 4.08Å; E157-K159 PolarHBondContact O-N 2.91Å; K159-V167 HydrophobicContact CB-CG1 4.5Å; K159-V168 CarbonylContact C-O 3.54Å; K159-V168 WeakPolarHBondContact CA-O 3.47Å; K159-Q169 HydrophobicContact CG-CB 4.02Å; K159-Q169 HydrophobicContact CG-CG 4.2Å
160L98.6Very high97.1Very high0 Ų056.2 Ų56.20%027%0.27CS..EExtended strand (participates in β ladder)trans-98135.8173.3-56.1-176000109.7V38 V41 V136 V140 V149 K150 I162 V167 V168 I170V38-L160 HydrophobicContact CG2-CD1 4.4Å; 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 3.76Å; 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 4.38Å; K150-L160 CarbonylContact O-C 3.4Å; K150-L160 WeakPolarHBondContact O-CA 3.38Å; L160-I162 HydrophobicContact CB-CG1 4.49Å; L160-V167 CarbonylContact O-C 3.51Å; L160-V167 VanDerWaalsContact O-CA 3.29Å; L160-V167 WeakPolarHBondContact O-CA 3.25Å; L160-V168 HydrophobicContact CB-CB 4.47Å; L160-V168 PolarHBondContact N-O 3.28Å; L160-V168 PolarHBondContact O-N 3.37Å; L160-I170 HydrophobicContact CD1-CD1 3.76Å; L160-I170 HydrophobicContact CG-CD1 4.22Å
161R98.6Very high97.1Very high91 Ų9150.7 Ų50.734%0.34325%0.246SC..EExtended strand (participates in β ladder)trans-104.1117.2165-175.3173.4-65.41300.7108.6V149 K150 I152 E164 Y166V149-R161 WeakPolarHBondContact CA-O 3.42Å; K150-R161 PolarHBondContact N-O 3.23Å; K150-R161 PolarHBondContact O-N 2.82Å; I152-R161 HydrophobicContact CD1-CB 4.31Å; I152-R161 HydrophobicContact CG1-CB 4.02Å; R161-E164 WeakPolarHBondContact CD-OE2 3.42Å; R161-Y166 CarbonylContact C-O 3.54Å; R161-Y166 WeakPolarHBondContact CA-O 3.34Å
162I98.5Very high97.1Very high0 Ų048.1 Ų48.10%023%0.234CC..EExtended strand (participates in β ladder)trans-107.9125.5-177.3-58.3169.5000108.8V34 V37 V148 V149 L160 E164 R165 Y166 V168V34-I162 HydrophobicContact CB-CD1 4.43Å; V34-I162 HydrophobicContact CG1-CD1 4.32Å; V34-I162 HydrophobicContact CG2-CD1 4.21Å; V37-I162 HydrophobicContact CB-CD1 3.84Å; V37-I162 HydrophobicContact CB-CG1 4.43Å; V37-I162 HydrophobicContact CG1-CD1 3.87Å; V37-I162 HydrophobicContact CG1-CG1 3.99Å; V37-I162 HydrophobicContact CG2-CD1 4.4Å; V37-I162 HydrophobicContact CG2-CG2 4.05Å; V148-I162 CarbonylContact O-C 3.58Å; V148-I162 WeakPolarHBondContact O-CA 3.48Å; V149-I162 HydrophobicContact CG2-CG1 4.03Å; L160-I162 HydrophobicContact CB-CG1 4.49Å; I162-E164 PolarHBondContact O-N 3.25Å; I162-E164 VanDerWaalsContact O-N 3.16Å; I162-R165 PolarHBondContact O-N 3.4Å; I162-Y166 PolarHBondContact N-O 3Å; I162-Y166 PolarHBondContact O-N 3.34Å; I162-V168 HydrophobicContact CD1-CG2 3.77Å
163R97.3Very high97.2Very high147 Ų14746.7 Ų46.756%0.55523%0.226SC*.THydrogen-bonded Turntrans52.233.1-180-65.6176171.5-162.8-9.1113.5E33 V148 R165E33-R163 WeakPolarHBondContact OE1-CD 3.5Å; E33-R163 IonicContact OE1-CZ 3.41Å; E33-R163 IonicContact OE1-NE 3.03Å; E33-R163 PolarHBondContact OE1-NE 3.06Å; E33-R163 IonicContact OE1-NH1 3.65Å; E33-R163 PolarHBondContact OE1-NH1 2.79Å; V148-R163 HydrophobicContact CB-CG 3.86Å; V148-R163 HydrophobicContact CG1-CG 4.24Å; V148-R163 HydrophobicContact CG2-CG 4.48Å; V148-R163 PolarHBondContact O-N 3.36Å; R163-R165 PolarHBondContact O-N 2.86Å
164E96.5Very high97.3Very high116 Ų11643.5 Ų43.554%0.54220%0.199SC..THydrogen-bonded Turntrans53.218.8-175.1-57.2-64165.900114.2K150 R161 I162K150-E164 IonicContact NZ-OE1 3.99Å; K150-E164 PolarHBondContact NZ-OE1 2.95Å; R161-E164 WeakPolarHBondContact CD-OE2 3.42Å; I162-E164 PolarHBondContact O-N 3.25Å; I162-E164 VanDerWaalsContact O-N 3.16Å
165R97.4Very high97.5Very high163 Ų16339 Ų3962%0.61517%0.172SC*.THydrogen-bonded Turntrans-128-43.2-170.8-176.7178.2177.2-1780.3113.5I162 R163I162-R165 PolarHBondContact O-N 3.4Å; R163-R165 PolarHBondContact O-N 2.86Å
166Y98.4Very high97.6Very high13 Ų1337.1 Ų37.15%0.05116%0.16CC..EExtended strand (participates in β ladder)trans-106.8138.6-175.2-48.6-58.9000110T30 V34 T72 R161 I162T30-Y166 HydrophobicContact CG2-CD1 3.66Å; T30-Y166 HydrophobicContact CG2-CD2 4.37Å; T30-Y166 HydrophobicContact CG2-CE1 3.46Å; T30-Y166 VanDerWaalsContact CG2-CE1 3.46Å; T30-Y166 HydrophobicContact CG2-CE2 4.2Å; T30-Y166 HydrophobicContact CG2-CG 4.11Å; V34-Y166 HydrophobicContact CG2-CD2 4.19Å; V34-Y166 HydrophobicContact CG2-CG 4.18Å; T72-Y166 HydrophobicContact CG2-CD1 4.15Å; T72-Y166 HydrophobicContact CG2-CE1 4.33Å; T72-Y166 CarbonylContact O-C 3.54Å; T72-Y166 WeakPolarHBondContact O-CA 3.37Å; R161-Y166 CarbonylContact C-O 3.54Å; R161-Y166 WeakPolarHBondContact CA-O 3.34Å; I162-Y166 PolarHBondContact N-O 3Å; I162-Y166 PolarHBondContact O-N 3.34Å
167V98.5Very high97.6Very high33 Ų3339.6 Ų39.620%0.217%0.174CC..EExtended strand (participates in β ladder)trans-114.3131.6175178.40000109T72 E73 F74 I152 K159 L160T72-V167 PolarHBondContact O-N 3.3Å; E73-V167 VanDerWaalsContact CA-O 3.31Å; 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 3.51Å; L160-V167 VanDerWaalsContact O-CA 3.29Å; L160-V167 WeakPolarHBondContact O-CA 3.25Å
168V98.6Very high97.4Very high0 Ų042.7 Ų42.70%021%0.209CC..EExtended strand (participates in β ladder)trans-130.9113.4-177.5-169.50000108.7V34 V38 F74 V76 K159 L160 I162V34-V168 HydrophobicContact CB-CG2 4.36Å; V34-V168 HydrophobicContact CG1-CB 4.38Å; V34-V168 HydrophobicContact CG1-CG1 4.15Å; V34-V168 HydrophobicContact CG1-CG2 3.35Å; V34-V168 HydrophobicContact CG2-CG2 4.14Å; V38-V168 HydrophobicContact CG2-CB 4.41Å; V38-V168 HydrophobicContact CG2-CG1 3.82Å; F74-V168 HydrophobicContact CB-CG1 4.36Å; F74-V168 HydrophobicContact CD2-CG2 4.43Å; F74-V168 WeakPolarHBondContact O-CA 3.39Å; V76-V168 HydrophobicContact CG2-CG1 3.86Å; K159-V168 CarbonylContact C-O 3.54Å; K159-V168 WeakPolarHBondContact CA-O 3.47Å; L160-V168 HydrophobicContact CB-CB 4.47Å; L160-V168 PolarHBondContact N-O 3.28Å; L160-V168 PolarHBondContact O-N 3.37Å; I162-V168 HydrophobicContact CD1-CG2 3.77Å
169Q98.5Very high97.2Very high20 Ų2046 Ų469%0.09323%0.225CC..EExtended strand (participates in β ladder)trans-82.6134.3169.2-178.4167.8-33.700109.2F74 E75 V76 E157 V158 K159 T171F74-Q169 PolarHBondContact O-N 2.96Å; E75-Q169 CarbonylContact C-O 3.37Å; E75-Q169 WeakPolarHBondContact CA-O 3.36Å; E75-Q169 HydrophobicContact CG-CB 4.41Å; V76-Q169 PolarHBondContact N-O 3.23Å; E157-Q169 PolarHBondContact OE2-NE2 2.99Å; V158-Q169 CarbonylContact O-C 3.57Å; V158-Q169 VanDerWaalsContact O-CA 3.31Å; V158-Q169 WeakPolarHBondContact O-CA 3.4Å; K159-Q169 HydrophobicContact CG-CB 4.02Å; K159-Q169 HydrophobicContact CG-CG 4.2Å; Q169-T171 PolarHBondContact NE2-OG1 2.84Å
170I98.5Very high97.1Very high0 Ų045 Ų450%022%0.22CC..EExtended strand (participates in β ladder)trans-112113.9171.9-51.6174000107.7V38 L42 V76 L78 F132 V158 L160V38-I170 HydrophobicContact CG1-CD1 3.89Å; V38-I170 HydrophobicContact CG1-CG1 4.37Å; L42-I170 HydrophobicContact CD2-CD1 4.42Å; L42-I170 HydrophobicContact CD2-CG2 4.41Å; V76-I170 HydrophobicContact CB-CG1 4.5Å; V76-I170 CarbonylContact O-C 3.59Å; V76-I170 WeakPolarHBondContact O-CA 3.42Å; 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 4.28Å; V158-I170 PolarHBondContact O-N 3.1Å; L160-I170 HydrophobicContact CD1-CD1 3.76Å; L160-I170 HydrophobicContact CG-CD1 4.22Å
171T98.4Very high97Very high0 Ų045 Ų450%022%0.22CC..EExtended strand (participates in β ladder)trans-112110.8-171.6-59.50000110.1E75 V76 L78 Q169 A173 L211 K213E75-T171 VanDerWaalsContact OE1-CB 3.26Å; E75-T171 WeakPolarHBondContact OE1-CB 3.34Å; E75-T171 PolarHBondContact OE1-OG1 2.89Å; V76-T171 PolarHBondContact O-N 3.22Å; L78-T171 PolarHBondContact N-O 3.3Å; Q169-T171 PolarHBondContact NE2-OG1 2.84Å; T171-A173 PolarHBondContact O-N 3.42Å; T171-L211 HydrophobicContact CG2-CB 3.73Å; T171-L211 HydrophobicContact CG2-CD2 4.11Å; T171-L211 HydrophobicContact CG2-CG 3.99Å; T171-K213 HydrophobicContact CG2-CB 4.19Å
172P98.1Very high96.9Very high0 Ų049.4 Ų49.40%024%0.237CC..EExtended strand (participates in β ladder)trans-58.8136171.6-22.833.6000111L78 L80 I128 F132 S212L78-P172 CarbonylContact O-C 3.55Å; L78-P172 WeakPolarHBondContact O-CA 3.42Å; L80-P172 HydrophobicContact CD1-CB 4.1Å; L80-P172 HydrophobicContact CD2-CB 4.33Å; L80-P172 HydrophobicContact CG-CB 4.33Å; I128-P172 HydrophobicContact CG2-CB 4.13Å; F132-P172 HydrophobicContact CB-CG 4.26Å; F132-P172 HydrophobicContact CD1-CG 3.5Å; F132-P172 HydrophobicContact CE1-CG 4.06Å; F132-P172 HydrophobicContact CG-CG 3.97Å; P172-S212 WeakPolarHBondContact O-CB 3.44Å; P172-S212 PolarHBondContact O-N 3.45Å
173A98.1Very high96.7Very high0 Ų050.9 Ų50.90%025%0.247CC..EExtended strand (participates in β ladder)trans-149.1158.2-17700000114V77 L78 Y79 L80 T171 L210 L211V77-A173 HydrophobicContact CG1-CB 3.42Å; V77-A173 VanDerWaalsContact CG1-CB 3.42Å; L78-A173 PolarHBondContact O-N 2.79Å; Y79-A173 HydrophobicContact CD1-CB 4.39Å; L80-A173 PolarHBondContact N-O 3.33Å; T171-A173 PolarHBondContact O-N 3.42Å; A173-L210 CarbonylContact C-O 3.46Å; A173-L210 WeakPolarHBondContact CA-O 3.21Å; A173-L210 VanDerWaalsContact CB-O 3.28Å; A173-L210 WeakPolarHBondContact CB-O 3.44Å; A173-L211 HydrophobicContact CB-CD1 4.33Å; A173-L211 HydrophobicContact CB-CG 4.14Å
174F97.1Very high96.7Very high2 Ų243.9 Ų43.91%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-111.8132.7165.3-66.1-75.4000110.1L80 N81 M83 L100 W113 L123 N209 L210 W230L80-F174 HydrophobicContact CB-CD1 4.04Å; L80-F174 HydrophobicContact CB-CE1 3.72Å; L80-F174 HydrophobicContact CB-CZ 4.2Å; L80-F174 HydrophobicContact CD1-CE1 4.24Å; L80-F174 HydrophobicContact CD1-CE2 4.14Å; L80-F174 HydrophobicContact CD1-CZ 3.86Å; N81-F174 WeakPolarHBondContact O-CD1 3.36Å; N81-F174 WeakPolarHBondContact O-CE1 3.26Å; M83-F174 HydrophobicContact CB-CD1 4.25Å; L100-F174 HydrophobicContact CD1-CD2 3.64Å; L100-F174 HydrophobicContact CD1-CE2 3.91Å; L100-F174 HydrophobicContact CD1-CG 4.44Å; W113-F174 AromaticContact NE1-CE1 3.8Å; W113-F174 AromaticContact NE1-CZ 3.73Å; L123-F174 HydrophobicContact CD2-CE2 3.52Å; L123-F174 HydrophobicContact CD2-CZ 3.73Å; F174-N209 WeakPolarHBondContact O-CA 3.49Å; F174-L210 HydrophobicContact CB-CB 4.4Å; F174-L210 PolarHBondContact N-O 3.06Å; F174-L210 PolarHBondContact O-N 3.04Å; F174-W230 HydrophobicContact CD2-CE3 4.19Å; F174-W230 AromaticContact CD2-CH2 3.61Å; F174-W230 HydrophobicContact CD2-CH2 3.61Å; F174-W230 HydrophobicContact CD2-CZ2 4.01Å; 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 3.59Å; F174-W230 HydrophobicContact CE2-CZ2 3.59Å; F174-W230 AromaticContact CE2-CZ3 3.89Å; F174-W230 HydrophobicContact CE2-CZ3 3.89Å; F174-W230 HydrophobicContact CZ-CH2 4.42Å
175K96.1Very high96.6Very high83 Ų8341.1 Ų41.136%0.36122%0.218SC..EExtended strand (participates in β ladder)trans-84.3129172.1-168165.5-168.9170.50109.6E64 Y79 T177 N209E64-K175 IonicContact OE1-NZ 2.73Å; E64-K175 PolarHBondContact OE1-NZ 3.26Å; Y79-K175 HydrophobicContact CD1-CB 4Å; Y79-K175 HydrophobicContact CE1-CB 4.05Å; Y79-K175 HydrophobicContact CE1-CD 4.39Å; Y79-K175 HydrophobicContact CE1-CG 4.49Å; K175-T177 HydrophobicContact CG-CG2 4.39Å; K175-N209 WeakPolarHBondContact CG-OD1 3.36Å
176C96Very high96.5Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-116.8113.6-178.7-70.10000109.8I179 G207 F208C176-I179 HydrophobicContact CB-CD1 4.36Å; C176-I179 HydrophobicContact CB-CG1 4.43Å; C176-G207 VanDerWaalsContact O-CA 3.26Å; C176-G207 WeakPolarHBondContact O-CA 3.47Å; C176-F208 WeakPolarHBondContact CA-O 3Å; C176-F208 HydrophobicContact CB-CD1 3.99Å; C176-F208 HydrophobicContact CB-CD2 4.13Å; C176-F208 HydrophobicContact CB-CE1 3.63Å; C176-F208 HydrophobicContact CB-CE2 3.76Å; C176-F208 HydrophobicContact CB-CG 4.25Å; C176-F208 HydrophobicContact CB-CZ 3.49Å; C176-F208 VanDerWaalsContact CB-CZ 3.49Å; C176-F208 WeakPolarHBondContact CB-O 3.42Å; C176-F208 PolarHBondContact N-O 3.11Å; C176-F208 PolarHBondContact O-N 2.88Å
177T93.7Very high96.4Very high90 Ų9036.8 Ų36.855%0.55221%0.205SC*.  trans-119.3158.317858.80000110.7K175 I179K175-T177 HydrophobicContact CG-CG2 4.39Å; T177-I179 PolarHBondContact O-N 3.08Å; T177-I179 VanDerWaalsContact O-N 3.17Å
178G91.4Very high96.4Very high77 Ų7737.2 Ų37.279%0.79421%0.208SC*.SBendtrans74.2-1.8179.400000115.5
179I94.2Very high96.2Very high68 Ų6840.7 Ų40.735%0.34923%0.225SC..  trans-132.5151174.753.3162.9000109.6F88 C176 T177 F208F88-I179 HydrophobicContact CB-CD1 3.8Å; F88-I179 HydrophobicContact CD1-CD1 3.76Å; F88-I179 HydrophobicContact CG-CD1 3.92Å; C176-I179 HydrophobicContact CB-CD1 4.36Å; C176-I179 HydrophobicContact CB-CG1 4.43Å; T177-I179 PolarHBondContact O-N 3.08Å; T177-I179 VanDerWaalsContact O-N 3.17Å; I179-F208 HydrophobicContact CD1-CE1 4.15Å; I179-F208 HydrophobicContact CD1-CZ 4.09Å; I179-F208 HydrophobicContact CG1-CE1 3.97Å; I179-F208 HydrophobicContact CG1-CZ 4.42Å; I179-F208 WeakPolarHBondContact O-CE1 3.5Å
180W96.7Very high95.9Very high41 Ų4146 Ų4616%0.15526%0.262CS..  trans-122.6137.1175.3-166.6-106.5000110A184 W187 V203 K204 G207 F234 A237 F320W180-A184 HydrophobicContact CZ2-CB 4.3Å; W180-A184 PolarHBondContact NE1-O 2.96Å; W180-W187 HydrophobicContact CZ2-CE3 4.4Å; W180-V203 HydrophobicContact CH2-CG1 4.47Å; W180-K204 HydrophobicContact CD2-CG 4.02Å; W180-K204 HydrophobicContact CE3-CB 4.36Å; W180-K204 HydrophobicContact CE3-CG 4.14Å; W180-K204 HydrophobicContact CG-CD 4.41Å; W180-K204 HydrophobicContact CG-CG 4.3Å; W180-G207 WeakPolarHBondContact CZ3-O 3.26Å; 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 3.68Å; W180-F234 HydrophobicContact CH2-CE1 3.68Å; W180-F234 AromaticContact CZ2-CD1 3.95Å; W180-F234 HydrophobicContact CZ2-CD1 3.95Å; W180-F234 AromaticContact CZ2-CE1 3.77Å; W180-F234 HydrophobicContact CZ2-CE1 3.77Å; W180-F234 AromaticContact CZ3-CD1 4Å; W180-F234 HydrophobicContact CZ3-CD1 4Å; W180-F234 HydrophobicContact CZ3-CE1 4.14Å; W180-A237 HydrophobicContact CH2-CB 4.03Å; W180-A237 HydrophobicContact CZ3-CB 4.22Å; W180-F320 HydrophobicContact CH2-CE1 4.31Å; W180-F320 HydrophobicContact CH2-CZ 4.34Å; W180-F320 AromaticContact CZ2-CD1 3.86Å; W180-F320 HydrophobicContact CZ2-CD1 3.86Å; W180-F320 AromaticContact CZ2-CE1 3.93Å; W180-F320 HydrophobicContact CZ2-CE1 3.93Å; W180-F320 HydrophobicContact CZ2-CG 4.27Å; W180-F320 HydrophobicContact CZ2-CZ 4.41Å
181P96.7Very high95.7Very high0 Ų052.9 Ų52.90%029%0.293CS..  trans-59.9140-177-25.837.9000112.2F88 D90 S183 A184 A185 F208 L232 F234F88-P181 HydrophobicContact CE1-CB 4.43Å; F88-P181 HydrophobicContact CZ-CB 3.98Å; F88-P181 HydrophobicContact CZ-CG 4.17Å; D90-P181 WeakPolarHBondContact OD2-CB 3.43Å; P181-S183 VanDerWaalsContact C-N 3.28Å; P181-S183 PolarHBondContact O-N 3.15Å; P181-A184 HydrophobicContact CB-CB 4.23Å; P181-A184 CarbonylContact O-C 3.53Å; P181-A184 PolarHBondContact O-N 3.37Å; P181-A185 PolarHBondContact O-N 3.18Å; P181-A185 VanDerWaalsContact O-N 3.09Å; P181-F208 VanDerWaalsContact CD-CD1 3.44Å; P181-F208 HydrophobicContact CG-CB 4.47Å; P181-F208 HydrophobicContact CG-CD1 3.56Å; P181-F208 HydrophobicContact CG-CD2 3.89Å; P181-F208 HydrophobicContact CG-CE1 3.59Å; P181-F208 HydrophobicContact CG-CE2 3.94Å; P181-F208 HydrophobicContact CG-CG 3.7Å; P181-F208 HydrophobicContact CG-CZ 3.79Å; P181-L232 HydrophobicContact CB-CD1 4.36Å; P181-L232 HydrophobicContact CB-CD2 4.42Å; P181-L232 HydrophobicContact CG-CD2 4.03Å; P181-F234 HydrophobicContact CB-CZ 4.48Å; P181-F234 HydrophobicContact CG-CE1 3.86Å; P181-F234 HydrophobicContact CG-CZ 3.85Å
182R95.6Very high95.6Very high185 Ų18554.2 Ų54.270%0.69830%0.3SS*.G310 helixtrans-63.7-38178.7-175.3-179.6177.6179.9-1.2111.2D90 A184 A185D90-R182 HydrophobicContact CB-CB 4.47Å; D90-R182 WeakPolarHBondContact O-CB 3.28Å; D90-R182 PolarHBondContact OD2-N 3.25Å; R182-A184 PolarHBondContact O-N 2.95Å; R182-A185 VanDerWaalsContact O-CB 3.26Å; R182-A185 WeakPolarHBondContact O-CB 3.48Å; R182-A185 PolarHBondContact O-N 3.32Å
183S95Very high95.4Very high31 Ų3159.1 Ų59.122%0.21733%0.332CS..G310 helixtrans-64.2-13174.657.50000114.1D90 P181 Q186 L321D90-S183 PolarHBondContact OD1-OG 3.29Å; D90-S183 VanDerWaalsContact OD2-CB 3.23Å; D90-S183 WeakPolarHBondContact OD2-CB 3.39Å; D90-S183 PolarHBondContact OD2-N 2.87Å; D90-S183 PolarHBondContact OD2-OG 2.89Å; P181-S183 VanDerWaalsContact C-N 3.28Å; P181-S183 PolarHBondContact O-N 3.15Å; S183-Q186 PolarHBondContact O-NE2 3.29Å; S183-Q186 PolarHBondContact O-OE1 2.82Å; S183-Q186 VanDerWaalsContact O-OE1 3.06Å; S183-L321 VanDerWaalsContact OG-CD2 3.29Å; S183-L321 WeakPolarHBondContact OG-CD2 3.46Å
184A96.9Very high95.4Very high0 Ų059.5 Ų59.50%033%0.333CS..G310 helixtrans-115.15.4174.100000112.8W180 P181 R182 Q186 W187 F234 F320 L321W180-A184 HydrophobicContact CZ2-CB 4.3Å; W180-A184 PolarHBondContact NE1-O 2.96Å; P181-A184 HydrophobicContact CB-CB 4.23Å; P181-A184 CarbonylContact O-C 3.53Å; P181-A184 PolarHBondContact O-N 3.37Å; R182-A184 PolarHBondContact O-N 2.95Å; A184-Q186 VanDerWaalsContact C-N 3.26Å; A184-Q186 PolarHBondContact O-N 3.43Å; A184-W187 WeakPolarHBondContact O-CB 3.23Å; A184-W187 PolarHBondContact O-N 3.25Å; A184-W187 VanDerWaalsContact O-N 3.13Å; A184-F234 HydrophobicContact CB-CE1 4.32Å; A184-F234 HydrophobicContact CB-CZ 4.05Å; A184-F320 WeakPolarHBondContact CA-O 3.4Å; A184-F320 HydrophobicContact CB-CB 4.16Å; A184-F320 WeakPolarHBondContact CB-O 3.27Å; A184-L321 HydrophobicContact CB-CD2 4.01Å
185A95.1Very high95.5Very high58 Ų5860 Ų6048%0.47934%0.336SS..THydrogen-bonded Turntrans-72-20.2-173.600000113.3P181 R182 W187P181-A185 PolarHBondContact O-N 3.18Å; P181-A185 VanDerWaalsContact O-N 3.09Å; R182-A185 VanDerWaalsContact O-CB 3.26Å; R182-A185 WeakPolarHBondContact O-CB 3.48Å; R182-A185 PolarHBondContact O-N 3.32Å; A185-W187 PolarHBondContact O-N 2.75Å
186Q94Very high95.5Very high76 Ų7657.9 Ų57.936%0.35534%0.339SS..THydrogen-bonded Turntrans-63.6-15.6170.869.7-78.10.400113.1S183 A184 P188 M189 F320S183-Q186 PolarHBondContact O-NE2 3.29Å; S183-Q186 PolarHBondContact O-OE1 2.82Å; S183-Q186 VanDerWaalsContact O-OE1 3.06Å; A184-Q186 VanDerWaalsContact C-N 3.26Å; A184-Q186 PolarHBondContact O-N 3.43Å; Q186-P188 CarbonylContact O-C 3.55Å; Q186-P188 VanDerWaalsContact O-C 3.24Å; Q186-P188 VanDerWaalsContact O-O 3.07Å; Q186-M189 HydrophobicContact CB-SD 4.42Å; Q186-M189 HydrophobicContact CG-SD 4.48Å; Q186-F320 PolarHBondContact NE2-O 3.37Å
187W97.8Very high95.5Very high9 Ų963.2 Ų63.23%0.03437%0.373CS..PPolyproline II helixtrans-88.7136.1176.8-175.987.8000112W180 A184 A185 P195 V200 V203 K204 L241 Y319 F320W180-W187 HydrophobicContact CZ2-CE3 4.4Å; A184-W187 WeakPolarHBondContact O-CB 3.23Å; A184-W187 PolarHBondContact O-N 3.25Å; A184-W187 VanDerWaalsContact O-N 3.13Å; A185-W187 PolarHBondContact O-N 2.75Å; W187-P195 HydrophobicContact CH2-CG 4.21Å; W187-P195 HydrophobicContact CZ2-CG 3.88Å; W187-V200 HydrophobicContact CH2-CB 4.48Å; W187-V200 HydrophobicContact CH2-CG1 4.27Å; W187-V200 HydrophobicContact CH2-CG2 4.4Å; W187-V200 HydrophobicContact CZ3-CG1 3.97Å; W187-V203 HydrophobicContact CH2-CB 3.84Å; W187-V203 HydrophobicContact CH2-CG1 3.57Å; W187-V203 HydrophobicContact CH2-CG2 4.31Å; W187-V203 HydrophobicContact CZ2-CG1 4.49Å; W187-V203 HydrophobicContact CZ3-CB 4.18Å; W187-V203 HydrophobicContact CZ3-CG1 3.74Å; W187-K204 HydrophobicContact CZ3-CG 4.28Å; W187-K204 PolarHBondContact O-NZ 3.25Å; 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 4.01Å; W187-L241 HydrophobicContact CZ2-CD2 3.81Å; W187-Y319 AromaticContact CD1-CE1 3.97Å; W187-Y319 AromaticContact NE1-CE1 3.58Å; W187-Y319 AromaticContact NE1-CZ 3.6Å; W187-Y319 PolarHBondContact NE1-OH 3.48Å; W187-F320 HydrophobicContact CB-CD1 4.2Å; W187-F320 AromaticContact CD2-CD1 3.96Å; W187-F320 HydrophobicContact CD2-CD1 3.96Å; W187-F320 AromaticContact CD2-CE1 3.54Å; W187-F320 HydrophobicContact CD2-CE1 3.54Å; W187-F320 AromaticContact CE2-CE1 3.71Å; W187-F320 HydrophobicContact CE3-CD1 4.35Å; W187-F320 AromaticContact CE3-CE1 3.81Å; W187-F320 HydrophobicContact CE3-CE1 3.81Å; W187-F320 AromaticContact CG-CD1 3.84Å; W187-F320 HydrophobicContact CG-CD1 3.84Å; W187-F320 AromaticContact CG-CE1 3.9Å; W187-F320 HydrophobicContact CG-CE1 3.9Å; W187-F320 HydrophobicContact CH2-CE1 4.37Å; W187-F320 HydrophobicContact CZ2-CE1 4.14Å; W187-F320 HydrophobicContact CZ3-CE1 4.21Å
188P97.1Very high95.7Very high42 Ų4265.4 Ų65.427%0.27338%0.382SS..SBendcis-76.7154.8-533.8-37.4000112.6Q186 V200Q186-P188 CarbonylContact O-C 3.55Å; Q186-P188 VanDerWaalsContact O-C 3.24Å; Q186-P188 VanDerWaalsContact O-O 3.07Å; P188-V200 HydrophobicContact CG-CG1 4.09Å; P188-V200 HydrophobicContact CG-CG2 3.91Å
189M94.4Very high95.9Very high73 Ų7365.2 Ų65.236%0.3636%0.357SS..PPolyproline II helixtrans-70131.3175.7-65.8-62-69.300110.4Q186 H191 I192Q186-M189 HydrophobicContact CB-SD 4.42Å; Q186-M189 HydrophobicContact CG-SD 4.48Å; M189-H191 PolarHBondContact O-N 3.05Å; M189-I192 HydrophobicContact CB-CB 4.48Å; M189-I192 HydrophobicContact CB-CD1 3.7Å; M189-I192 HydrophobicContact CB-CG1 3.88Å; M189-I192 HydrophobicContact CG-CD1 4.08Å; M189-I192 PolarHBondContact O-N 3.48Å
190P92.8Very high96.1Very high132 Ų13262.9 Ų62.986%0.85735%0.346SS*.THydrogen-bonded Turntrans-58.7-24.4-172.9-28.234.6000116.1
191H94.4Very high96.2Very high144 Ų14463.9 Ų63.967%0.66736%0.363SS*.THydrogen-bonded Turntrans-89.6-3.8-178.560.9-90.4000113.6M189M189-H191 PolarHBondContact O-N 3.05Å
192I95.3Very high96.2Very high28 Ų2867.5 Ų67.514%0.14438%0.38CS..  trans-101.5117.8-178.9-56-178.8000108M189 W194 E283M189-I192 HydrophobicContact CB-CB 4.48Å; M189-I192 HydrophobicContact CB-CD1 3.7Å; M189-I192 HydrophobicContact CB-CG1 3.88Å; M189-I192 HydrophobicContact CG-CD1 4.08Å; M189-I192 PolarHBondContact O-N 3.48Å; I192-W194 PolarHBondContact O-N 3.04Å; I192-W194 VanDerWaalsContact O-N 3.08Å; I192-E283 HydrophobicContact CD1-CB 4.1Å; I192-E283 HydrophobicContact CD1-CG 4.07Å; I192-E283 WeakPolarHBondContact CD1-OE2 3.49Å; I192-E283 HydrophobicContact CG2-CB 3.81Å; I192-E283 HydrophobicContact CG2-CG 3.93Å
193P95.5Very high96.3Very high103 Ų10358.7 Ų58.767%0.66935%0.346SS*.  trans-79.613.8-175.532.3-34000113.4P286P193-P286 HydrophobicContact CG-CB 3.74Å; P193-P286 HydrophobicContact CG-CG 3.67Å
194W98Very high96.5Very high8 Ų860.5 Ų60.53%0.0335%0.35CS..  trans-131.4144.4179.5-179.493.6000111.4I192 L241 L279 C282 E283 P286 Y319I192-W194 PolarHBondContact O-N 3.04Å; I192-W194 VanDerWaalsContact O-N 3.08Å; W194-L241 HydrophobicContact CH2-CD1 3.37Å; W194-L241 HydrophobicContact CH2-CD2 4.06Å; W194-L241 HydrophobicContact CH2-CG 3.49Å; W194-L241 VanDerWaalsContact CH2-CG 3.49Å; W194-L241 HydrophobicContact CZ2-CD1 3.66Å; W194-L241 HydrophobicContact CZ2-CG 4.1Å; W194-L241 HydrophobicContact CZ3-CD1 3.9Å; W194-L241 HydrophobicContact CZ3-CD2 4.3Å; W194-L241 HydrophobicContact CZ3-CG 4.17Å; W194-L279 HydrophobicContact CH2-CD2 4.37Å; W194-C282 HydrophobicContact CD2-CB 3.88Å; W194-C282 HydrophobicContact CE3-CB 3.78Å; W194-C282 HydrophobicContact CH2-CB 3.28Å; W194-C282 HydrophobicContact CZ2-CB 3.44Å; W194-C282 VanDerWaalsContact CZ2-CB 3.44Å; W194-C282 HydrophobicContact CZ3-CB 3.46Å; W194-C282 VanDerWaalsContact CZ3-CB 3.46Å; W194-E283 HydrophobicContact CE3-CG 4.04Å; W194-E283 HydrophobicContact CZ3-CG 4.24Å; W194-P286 HydrophobicContact CB-CB 3.44Å; W194-P286 VanDerWaalsContact CB-CB 3.44Å; W194-P286 VanDerWaalsContact CD1-O 3.27Å; W194-P286 HydrophobicContact CG-CB 4.39Å; W194-Y319 VanDerWaalsContact CZ3-OH 3.32Å; W194-Y319 WeakPolarHBondContact CZ3-OH 3.21Å
195P97.8Very high96.5Very high11 Ų1163.8 Ų63.87%0.07138%0.378CS..SBendcis-77.1168.8-9.938-39.7000110.9W187 R199 V200 L241W187-P195 HydrophobicContact CH2-CG 4.21Å; W187-P195 HydrophobicContact CZ2-CG 3.88Å; P195-R199 HydrophobicContact CB-CB 3.93Å; P195-R199 HydrophobicContact CB-CG 3.83Å; P195-R199 HydrophobicContact CG-CB 4.39Å; P195-R199 HydrophobicContact CG-CG 4.26Å; P195-V200 HydrophobicContact CG-CG2 3.73Å; P195-L241 HydrophobicContact CB-CD1 3.9Å; P195-L241 HydrophobicContact CG-CD1 3.57Å
196G96.2Very high96.6Very high40 Ų4063.5 Ų63.541%0.41237%0.366SS..  trans-60.5153.9174.100000112.4N198 R199 V200G196-N198 VanDerWaalsContact C-N 3.27Å; G196-N198 PolarHBondContact O-N 3.12Å; G196-N198 VanDerWaalsContact O-N 3.1Å; G196-R199 PolarHBondContact O-N 3.22Å; G196-V200 PolarHBondContact O-N 3.48Å; G196-V200 VanDerWaalsContact O-N 3.12Å
197P96.4Very high96.8Very high111 Ų11159.9 Ų59.972%0.72135%0.35SS*.Hα-helixtrans-53.3-36.6-172.9-28.634.8000115.2R199 V200 A201P197-R199 PolarHBondContact O-N 3.08Å; P197-V200 WeakPolarHBondContact O-CB 3.38Å; P197-V200 PolarHBondContact O-N 3.48Å; P197-A201 PolarHBondContact O-N 3.38Å
198N97.4Very high96.8Very high136 Ų13659.5 Ų59.573%0.72735%0.349SS*.Hα-helixtrans-62.5-43.8177.4-66.5-10.8000111.7G196 V200 A201 E202G196-N198 VanDerWaalsContact C-N 3.27Å; G196-N198 PolarHBondContact O-N 3.12Å; G196-N198 VanDerWaalsContact O-N 3.1Å; N198-V200 VanDerWaalsContact C-N 3.33Å; N198-V200 PolarHBondContact O-N 2.9Å; N198-A201 WeakPolarHBondContact O-CB 3.49Å; N198-A201 PolarHBondContact O-N 3.35Å; N198-E202 WeakPolarHBondContact O-CG 3.29Å; N198-E202 PolarHBondContact O-N 2.95Å
199R97.7Very high96.8Very high73 Ų7357.6 Ų57.628%0.27534%0.336SS..Hα-helixtrans-68.2-34176.6-176.172.575.6-144.3-2.6111.3P195 G196 P197 A201 E202 V203P195-R199 HydrophobicContact CB-CB 3.93Å; P195-R199 HydrophobicContact CB-CG 3.83Å; P195-R199 HydrophobicContact CG-CB 4.39Å; P195-R199 HydrophobicContact CG-CG 4.26Å; G196-R199 PolarHBondContact O-N 3.22Å; P197-R199 PolarHBondContact O-N 3.08Å; R199-A201 VanDerWaalsContact C-N 3.32Å; R199-A201 PolarHBondContact O-N 3.41Å; R199-E202 IonicContact CZ-OE2 2.68Å; R199-E202 IonicContact NE-OE2 3.79Å; R199-E202 IonicContact NH1-OE1 2.66Å; R199-E202 IonicContact NH1-OE2 3.83Å; R199-E202 PolarHBondContact NH1-OE2 2.9Å; R199-E202 PolarHBondContact O-N 3.15Å; R199-V203 HydrophobicContact CG-CG2 4.27Å; R199-V203 WeakPolarHBondContact O-CB 3.42Å; R199-V203 WeakPolarHBondContact O-CG2 3.33Å; R199-V203 PolarHBondContact O-N 3.43Å
200V98.1Very high97Very high20 Ų2054.1 Ų54.112%0.12132%0.319CS..Hα-helixtrans-58.2-46.5172.4178.70000110.6W187 P188 P195 G196 P197 N198 V203 K204W187-V200 HydrophobicContact CH2-CB 4.48Å; W187-V200 HydrophobicContact CH2-CG1 4.27Å; W187-V200 HydrophobicContact CH2-CG2 4.4Å; W187-V200 HydrophobicContact CZ3-CG1 3.97Å; P188-V200 HydrophobicContact CG-CG1 4.09Å; P188-V200 HydrophobicContact CG-CG2 3.91Å; P195-V200 HydrophobicContact CG-CG2 3.73Å; G196-V200 PolarHBondContact O-N 3.48Å; G196-V200 VanDerWaalsContact O-N 3.12Å; P197-V200 WeakPolarHBondContact O-CB 3.38Å; P197-V200 PolarHBondContact O-N 3.48Å; N198-V200 VanDerWaalsContact C-N 3.33Å; N198-V200 PolarHBondContact O-N 2.9Å; V200-V203 PolarHBondContact O-N 2.97Å; V200-K204 HydrophobicContact CG1-CD 4.39Å; V200-K204 PolarHBondContact O-N 3.12Å
201A97.6Very high97.2Very high62 Ų6247.8 Ų47.851%0.51228%0.278SS..Hα-helixtrans-62.2-44.8178.100000111.8P197 N198 R199 K204 A205P197-A201 PolarHBondContact O-N 3.38Å; N198-A201 WeakPolarHBondContact O-CB 3.49Å; N198-A201 PolarHBondContact O-N 3.35Å; R199-A201 VanDerWaalsContact C-N 3.32Å; R199-A201 PolarHBondContact O-N 3.41Å; A201-K204 PolarHBondContact O-N 3.4Å; A201-A205 WeakPolarHBondContact O-CB 3.42Å; A201-A205 PolarHBondContact O-N 3.19Å
202E97.9Very high97.3Very high75 Ų7541 Ų4135%0.3525%0.246SC..Hα-helixtrans-60.4-45.6175.5-68.3171.6-157.400112.5N198 R199 K204 A205 E206 R240N198-E202 WeakPolarHBondContact O-CG 3.29Å; N198-E202 PolarHBondContact O-N 2.95Å; R199-E202 IonicContact CZ-OE2 2.68Å; R199-E202 IonicContact NE-OE2 3.79Å; R199-E202 IonicContact NH1-OE1 2.66Å; R199-E202 IonicContact NH1-OE2 3.83Å; R199-E202 PolarHBondContact NH1-OE2 2.9Å; R199-E202 PolarHBondContact O-N 3.15Å; E202-K204 PolarHBondContact O-N 2.71Å; E202-A205 WeakPolarHBondContact O-CB 3.24Å; E202-A205 PolarHBondContact O-N 3.49Å; E202-A205 VanDerWaalsContact O-N 3.16Å; E202-E206 PolarHBondContact O-N 3.18Å; E202-E206 VanDerWaalsContact O-N 3.15Å; E202-R240 HydrophobicContact CB-CG 4.09Å
203V98.1Very high97.2Very high0 Ų041.6 Ų41.60%025%0.248CC..Hα-helixtrans-62.6-42.5179.41700000111.2W180 W187 R199 V200 A205 E206 A237 R240 L241 F320W180-V203 HydrophobicContact CH2-CG1 4.47Å; W187-V203 HydrophobicContact CH2-CB 3.84Å; W187-V203 HydrophobicContact CH2-CG1 3.57Å; W187-V203 HydrophobicContact CH2-CG2 4.31Å; W187-V203 HydrophobicContact CZ2-CG1 4.49Å; W187-V203 HydrophobicContact CZ3-CB 4.18Å; W187-V203 HydrophobicContact CZ3-CG1 3.74Å; R199-V203 HydrophobicContact CG-CG2 4.27Å; R199-V203 WeakPolarHBondContact O-CB 3.42Å; R199-V203 WeakPolarHBondContact O-CG2 3.33Å; R199-V203 PolarHBondContact O-N 3.43Å; V200-V203 PolarHBondContact O-N 2.97Å; V203-A205 VanDerWaalsContact C-N 3.31Å; V203-A205 PolarHBondContact O-N 3.41Å; V203-E206 PolarHBondContact O-N 3.29Å; V203-A237 HydrophobicContact CG1-CB 3.91Å; V203-R240 HydrophobicContact CG2-CB 4.15Å; V203-R240 HydrophobicContact CG2-CG 3.85Å; V203-L241 HydrophobicContact CG2-CB 3.76Å; V203-L241 HydrophobicContact CG2-CD1 4.15Å; V203-L241 HydrophobicContact CG2-CG 4.47Å; V203-F320 HydrophobicContact CG1-CZ 4.08Å
204K98Very high96.9Very high69 Ų6941.7 Ų41.730%0.324%0.239SC..Hα-helixtrans-68.6-30.5175.4-72-174.1175.8-179.90112.4W180 W187 V200 A201 E202 E206 G207W180-K204 HydrophobicContact CD2-CG 4.02Å; W180-K204 HydrophobicContact CE3-CB 4.36Å; W180-K204 HydrophobicContact CE3-CG 4.14Å; W180-K204 HydrophobicContact CG-CD 4.41Å; W180-K204 HydrophobicContact CG-CG 4.3Å; W187-K204 HydrophobicContact CZ3-CG 4.28Å; W187-K204 PolarHBondContact O-NZ 3.25Å; W187-K204 VanDerWaalsContact O-NZ 3.13Å; V200-K204 HydrophobicContact CG1-CD 4.39Å; V200-K204 PolarHBondContact O-N 3.12Å; A201-K204 PolarHBondContact O-N 3.4Å; E202-K204 PolarHBondContact O-N 2.71Å; K204-E206 VanDerWaalsContact C-N 3.35Å; K204-G207 PolarHBondContact O-N 2.79Å
205A97.5Very high96.1Very high70 Ų7042.2 Ų42.258%0.57924%0.244SC*.Hα-helixtrans-68.7-30.8177.300000113A201 E202 V203 G207A201-A205 WeakPolarHBondContact O-CB 3.42Å; A201-A205 PolarHBondContact O-N 3.19Å; E202-A205 WeakPolarHBondContact O-CB 3.24Å; E202-A205 PolarHBondContact O-N 3.49Å; E202-A205 VanDerWaalsContact O-N 3.16Å; V203-A205 VanDerWaalsContact C-N 3.31Å; V203-A205 PolarHBondContact O-N 3.41Å; A205-G207 PolarHBondContact O-N 3.26Å
206E96.7Very high94.8Very high51 Ų5148.7 Ų48.724%0.23827%0.268CS..Hα-helixtrans-61-28.4171.9-63.3-63.9168.300112.3E202 V203 K204 E236 A237 R240E202-E206 PolarHBondContact O-N 3.18Å; E202-E206 VanDerWaalsContact O-N 3.15Å; V203-E206 PolarHBondContact O-N 3.29Å; K204-E206 VanDerWaalsContact C-N 3.35Å; E206-E236 HydrophobicContact CB-CB 4.16Å; E206-A237 HydrophobicContact CB-CB 4.24Å; E206-R240 HydrophobicContact CG-CB 3.92Å; E206-R240 HydrophobicContact CG-CG 4.15Å; E206-R240 IonicContact OE1-CZ 3.15Å; E206-R240 IonicContact OE1-NE 2.68Å; E206-R240 PolarHBondContact OE1-NE 3.41Å; E206-R240 IonicContact OE1-NH2 2.77Å; E206-R240 PolarHBondContact OE1-NH2 3.44Å
207G97.3Very high93.4Very high1 Ų147.2 Ų47.21%0.0125%0.252CS..  trans75.1-149.3-179.500000113.3C176 W180 K204 A205C176-G207 VanDerWaalsContact O-CA 3.26Å; C176-G207 WeakPolarHBondContact O-CA 3.47Å; W180-G207 WeakPolarHBondContact CZ3-O 3.26Å; K204-G207 PolarHBondContact O-N 2.79Å; A205-G207 PolarHBondContact O-N 3.26Å
208F97.9Very high91.8Very high1 Ų143.1 Ų43.10%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-151.8168.7-177.866.4-81.8000110.5F88 C176 I179 P181 L210 L232 Q233 F234F88-F208 HydrophobicContact CD1-CZ 4.13Å; F88-F208 HydrophobicContact CD2-CE2 4.07Å; F88-F208 AromaticContact CD2-CZ 3.87Å; F88-F208 HydrophobicContact CD2-CZ 3.87Å; F88-F208 AromaticContact CE1-CZ 3.83Å; F88-F208 HydrophobicContact CE1-CZ 3.83Å; F88-F208 AromaticContact CE2-CE2 3.54Å; F88-F208 HydrophobicContact CE2-CE2 3.54Å; F88-F208 AromaticContact CE2-CZ 3.53Å; F88-F208 HydrophobicContact CE2-CZ 3.53Å; F88-F208 HydrophobicContact CG-CZ 4.13Å; F88-F208 HydrophobicContact CZ-CE1 4.47Å; F88-F208 AromaticContact CZ-CE2 3.84Å; F88-F208 HydrophobicContact CZ-CE2 3.84Å; F88-F208 AromaticContact CZ-CZ 3.5Å; F88-F208 HydrophobicContact CZ-CZ 3.5Å; C176-F208 WeakPolarHBondContact CA-O 3Å; C176-F208 HydrophobicContact CB-CD1 3.99Å; C176-F208 HydrophobicContact CB-CD2 4.13Å; C176-F208 HydrophobicContact CB-CE1 3.63Å; C176-F208 HydrophobicContact CB-CE2 3.76Å; C176-F208 HydrophobicContact CB-CG 4.25Å; C176-F208 HydrophobicContact CB-CZ 3.49Å; C176-F208 VanDerWaalsContact CB-CZ 3.49Å; C176-F208 WeakPolarHBondContact CB-O 3.42Å; C176-F208 PolarHBondContact N-O 3.11Å; C176-F208 PolarHBondContact O-N 2.88Å; I179-F208 HydrophobicContact CD1-CE1 4.15Å; I179-F208 HydrophobicContact CD1-CZ 4.09Å; I179-F208 HydrophobicContact CG1-CE1 3.97Å; I179-F208 HydrophobicContact CG1-CZ 4.42Å; I179-F208 WeakPolarHBondContact O-CE1 3.5Å; P181-F208 VanDerWaalsContact CD-CD1 3.44Å; P181-F208 HydrophobicContact CG-CB 4.47Å; P181-F208 HydrophobicContact CG-CD1 3.56Å; P181-F208 HydrophobicContact CG-CD2 3.89Å; P181-F208 HydrophobicContact CG-CE1 3.59Å; P181-F208 HydrophobicContact CG-CE2 3.94Å; P181-F208 HydrophobicContact CG-CG 3.7Å; P181-F208 HydrophobicContact CG-CZ 3.79Å; F208-L210 HydrophobicContact CD2-CD2 4.4Å; F208-L210 HydrophobicContact CD2-CG 4.5Å; F208-L210 HydrophobicContact CE2-CD2 3.87Å; F208-L210 HydrophobicContact CE2-CG 3.98Å; F208-L232 HydrophobicContact CD2-CD2 3.52Å; F208-L232 HydrophobicContact CE2-CD2 3.51Å; F208-Q233 WeakPolarHBondContact CA-O 3.41Å; F208-Q233 WeakPolarHBondContact CB-O 3.21Å; F208-F234 HydrophobicContact CB-CD1 3.74Å; F208-F234 HydrophobicContact CB-CE1 3.77Å; F208-F234 HydrophobicContact CB-CG 4.49Å; F208-F234 HydrophobicContact CG-CE1 4.44Å
209N97.9Very high90.1Very high1 Ų140.9 Ų40.91%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-116.1146.9179.1-58.7-52.2000111.1Y79 F174 K175 L211 Q233 E236Y79-N209 WeakPolarHBondContact CE1-OD1 3.38Å; Y79-N209 PolarHBondContact OH-ND2 3.39Å; F174-N209 WeakPolarHBondContact O-CA 3.49Å; K175-N209 WeakPolarHBondContact CG-OD1 3.36Å; N209-L211 HydrophobicContact CB-CD1 3.44Å; N209-L211 VanDerWaalsContact CB-CD1 3.44Å; N209-Q233 PolarHBondContact N-O 3.12Å; N209-Q233 PolarHBondContact ND2-OE1 3.21Å; N209-Q233 PolarHBondContact O-N 3.4Å; N209-E236 PolarHBondContact ND2-OE2 2.98Å
210L97.6Very high88.1Confident0 Ų041.1 Ų41.10%024%0.24CC..EExtended strand (participates in β ladder)trans-108.2108.8173-71.1178000108.8F88 A98 L100 A173 F174 F208 W230 V231 L232F88-L210 HydrophobicContact CD2-CD1 4.03Å; F88-L210 HydrophobicContact CD2-CD2 4.33Å; F88-L210 HydrophobicContact CE2-CD2 4.04Å; A98-L210 HydrophobicContact CB-CD2 4.11Å; L100-L210 HydrophobicContact CD1-CD1 4.06Å; L100-L210 HydrophobicContact CD2-CD1 3.74Å; L100-L210 HydrophobicContact CG-CD1 3.93Å; A173-L210 CarbonylContact C-O 3.46Å; A173-L210 WeakPolarHBondContact CA-O 3.21Å; A173-L210 VanDerWaalsContact CB-O 3.28Å; A173-L210 WeakPolarHBondContact CB-O 3.44Å; F174-L210 HydrophobicContact CB-CB 4.4Å; F174-L210 PolarHBondContact N-O 3.06Å; F174-L210 PolarHBondContact O-N 3.04Å; F208-L210 HydrophobicContact CD2-CD2 4.4Å; F208-L210 HydrophobicContact CD2-CG 4.5Å; F208-L210 HydrophobicContact CE2-CD2 3.87Å; F208-L210 HydrophobicContact CE2-CG 3.98Å; L210-W230 HydrophobicContact CB-CB 3.86Å; L210-W230 HydrophobicContact CB-CD2 4.37Å; L210-W230 HydrophobicContact CB-CE3 4.14Å; L210-W230 HydrophobicContact CB-CG 4.29Å; L210-W230 HydrophobicContact CD2-CB 3.9Å; L210-W230 HydrophobicContact CG-CB 4.35Å; L210-V231 WeakPolarHBondContact CA-O 3.4Å; L210-L232 HydrophobicContact CD2-CD2 3.7Å
211L97.6Very high86.1Confident0 Ų046.2 Ų46.20%026%0.261CS..EExtended strand (participates in β ladder)trans-103.1132.6-172.1-76.768.6000110.2V77 T171 A173 N209 K213 V231 Q233V77-L211 HydrophobicContact CG2-CD2 4.24Å; T171-L211 HydrophobicContact CG2-CB 3.73Å; T171-L211 HydrophobicContact CG2-CD2 4.11Å; T171-L211 HydrophobicContact CG2-CG 3.99Å; A173-L211 HydrophobicContact CB-CD1 4.33Å; A173-L211 HydrophobicContact CB-CG 4.14Å; N209-L211 HydrophobicContact CB-CD1 3.44Å; N209-L211 VanDerWaalsContact CB-CD1 3.44Å; L211-K213 HydrophobicContact CB-CG 4.36Å; L211-K213 VanDerWaalsContact CD2-NZ 3.25Å; L211-K213 PolarHBondContact O-N 3.03Å; L211-K213 VanDerWaalsContact O-N 3.14Å; L211-V231 HydrophobicContact CB-CB 4.36Å; L211-V231 PolarHBondContact N-O 3.48Å; L211-V231 PolarHBondContact O-N 2.88Å; L211-Q233 HydrophobicContact CD1-CB 3.52Å; L211-Q233 HydrophobicContact CD1-CG 4.32Å; L211-Q233 HydrophobicContact CD2-CB 4.12Å; L211-Q233 HydrophobicContact CD2-CG 4.28Å; L211-Q233 HydrophobicContact CG-CB 4.47Å
212S96.7Very high83.9Confident0 Ų052.6 Ų52.60%028%0.28CS..  trans-83.884.7169.2-174.90000109.9A125 R129 P172A125-S212 PolarHBondContact O-OG 2.9Å; R129-S212 WeakPolarHBondContact CB-OG 3.32Å; R129-S212 WeakPolarHBondContact CD-O 3.33Å; R129-S212 VanDerWaalsContact NH1-C 3.26Å; R129-S212 PolarHBondContact NH1-O 3.35Å; R129-S212 PolarHBondContact NH1-OG 3.11Å; P172-S212 WeakPolarHBondContact O-CB 3.44Å; P172-S212 PolarHBondContact O-N 3.45Å
213K94.2Very high82.1Confident41 Ų4151.7 Ų51.718%0.17828%0.281CS..SBendtrans-139.8165.4173.170.7175.678.6-179.20110.3E75 E157 T171 L211 V231E75-K213 WeakPolarHBondContact OE1-CE 3.33Å; E75-K213 IonicContact OE1-NZ 3.38Å; E75-K213 PolarHBondContact OE1-NZ 2.88Å; E75-K213 IonicContact OE2-NZ 2.75Å; E75-K213 PolarHBondContact OE2-NZ 3.18Å; E157-K213 WeakPolarHBondContact OE1-CA 3.32Å; E157-K213 WeakPolarHBondContact OE1-CB 3.33Å; T171-K213 HydrophobicContact CG2-CB 4.19Å; L211-K213 HydrophobicContact CB-CG 4.36Å; L211-K213 VanDerWaalsContact CD2-NZ 3.25Å; L211-K213 PolarHBondContact O-N 3.03Å; L211-K213 VanDerWaalsContact O-N 3.14Å; K213-V231 HydrophobicContact CD-CB 4.43Å; K213-V231 HydrophobicContact CD-CG1 4.37Å; K213-V231 HydrophobicContact CD-CG2 4.47Å; K213-V231 HydrophobicContact CG-CB 3.9Å; K213-V231 HydrophobicContact CG-CG1 4.34Å; K213-V231 HydrophobicContact CG-CG2 3.63Å
214E87.2Confident80.4Confident105 Ų10556 Ų5649%0.49131%0.312SS..  trans-69.1145.9170.1-67.2-177.7179.900111.1S156 E157S156-E214 VanDerWaalsContact CB-OE1 3.32Å; S156-E214 WeakPolarHBondContact CB-OE1 3.41Å; S156-E214 WeakPolarHBondContact OG-CG 3.45Å; S156-E214 PolarHBondContact OG-OE1 3.44Å; E157-E214 PolarHBondContact OE1-N 3.12Å
215C81.6Confident78.6Confident19 Ų1954.8 Ų54.813%0.12832%0.315CS..  trans-123.1127.8173.4-164.80000109.9S217 L218 T219 V231C215-S217 PolarHBondContact O-N 3.34Å; C215-S217 VanDerWaalsContact O-N 3.17Å; C215-S217 PolarHBondContact SG-OG 3.33Å; C215-L218 HydrophobicContact CB-CD1 4.22Å; C215-L218 HydrophobicContact CB-CG 4.2Å; C215-L218 WeakPolarHBondContact O-CB 3.34Å; C215-L218 PolarHBondContact O-N 2.87Å; C215-T219 PolarHBondContact O-N 3.36Å; C215-V231 HydrophobicContact CB-CG2 3.89Å
216Y70.5Confident77.1Confident148 Ų14853 Ų5358%0.5830%0.295SS*.G310 helixtrans-59.1-27.2178.3-74.4-73.2000113.1L218 T219Y216-L218 PolarHBondContact O-N 2.69Å; Y216-L218 VanDerWaalsContact O-N 3.13Å; Y216-T219 HydrophobicContact CD1-CG2 4.17Å; Y216-T219 PolarHBondContact O-N 3.27Å; Y216-T219 PolarHBondContact O-OG1 3.12Å
217S66.4Low75.8Confident9 Ų951.7 Ų51.76%0.06329%0.291CS..G310 helixtrans-62.4-19.7175.5680000113.5P95 C215P95-S217 PolarHBondContact O-OG 2.93Å; C215-S217 PolarHBondContact O-N 3.34Å; C215-S217 VanDerWaalsContact O-N 3.17Å; C215-S217 PolarHBondContact SG-OG 3.33Å
218L64.6Low75Confident25 Ų2552.4 Ų52.413%0.13129%0.294CS..G310 helixtrans-105.4-8-178.6-52.6-179.1000112.9L94 C215 Y216 G220 K221 E226 A229L94-L218 HydrophobicContact CD2-CD2 3.98Å; C215-L218 HydrophobicContact CB-CD1 4.22Å; C215-L218 HydrophobicContact CB-CG 4.2Å; C215-L218 WeakPolarHBondContact O-CB 3.34Å; C215-L218 PolarHBondContact O-N 2.87Å; Y216-L218 PolarHBondContact O-N 2.69Å; Y216-L218 VanDerWaalsContact O-N 3.13Å; L218-G220 PolarHBondContact O-N 2.77Å; L218-K221 PolarHBondContact O-N 3.3Å; L218-E226 HydrophobicContact CD1-CB 4.45Å; L218-E226 HydrophobicContact CD2-CB 4.29Å; L218-E226 HydrophobicContact CD2-CG 4.12Å; L218-A229 HydrophobicContact CD1-CB 4.43Å
219T61.6Low74.9Confident88 Ų8852.8 Ų52.854%0.5430%0.297SS..THydrogen-bonded Turntrans-63.5126-179.7570000110.9C215 Y216C215-T219 PolarHBondContact O-N 3.36Å; Y216-T219 HydrophobicContact CD1-CG2 4.17Å; Y216-T219 PolarHBondContact O-N 3.27Å; Y216-T219 PolarHBondContact O-OG1 3.12Å
220G55.8Low74.8Confident78 Ų7852.7 Ų52.780%0.80430%0.297SS*.THydrogen-bonded Turntrans91.2-9.9-179.500000115.6L218L218-G220 PolarHBondContact O-N 2.77Å
221K55.3Low74.7Confident128 Ų12853.6 Ų53.656%0.55730%0.303SS*.  trans-100.1112.2172.7-58.8-177.9-179.8174.80108.7L218 E226L218-K221 PolarHBondContact O-N 3.3Å; K221-E226 VanDerWaalsContact CB-CD 3.41Å; K221-E226 WeakPolarHBondContact CB-OE1 3.25Å; K221-E226 WeakPolarHBondContact CB-OE2 3.44Å; K221-E226 VanDerWaalsContact CD-OE1 3.26Å; K221-E226 WeakPolarHBondContact CD-OE1 3.35Å; K221-E226 VanDerWaalsContact O-OE2 3.12Å
222Q51.2Low74.7Confident196 Ų19654 Ų5492%0.91631%0.305SS*.  trans-100.635.2-170.5-65.6-173.64.400112.7
223S60.9Low74.7Confident55 Ų5555 Ų5539%0.38531%0.309SS..  trans-77.1146.1170.375.60000110.2A225 E226 S227S223-A225 PolarHBondContact O-N 2.91Å; S223-E226 WeakPolarHBondContact CB-OE2 3.44Å; S223-E226 PolarHBondContact N-OE2 3.47Å; S223-E226 PolarHBondContact O-N 3.43Å; S223-E226 WeakPolarHBondContact OG-CG 3.38Å; S223-E226 PolarHBondContact OG-N 2.85Å; S223-E226 PolarHBondContact OG-OE2 3.25Å; S223-S227 WeakPolarHBondContact O-CB 3.48Å; S223-S227 PolarHBondContact O-N 3.24Å
224S60.9Low74.9Confident91 Ų9153.1 Ų53.164%0.63630%0.301SS*.Hα-helixtrans-60.4-29.2178.559.60000112.7S227 D228S224-S227 WeakPolarHBondContact O-CB 3.44Å; S224-S227 PolarHBondContact O-OG 3.3Å; S224-D228 VanDerWaalsContact O-CG 3.28Å; S224-D228 PolarHBondContact O-N 3.34Å
225A60Low75.3Confident44 Ų4448.3 Ų48.336%0.36428%0.279SS..Hα-helixtrans-72-44.5-17900000112.7S223 S227 D228 A229S223-A225 PolarHBondContact O-N 2.91Å; A225-S227 PolarHBondContact O-N 3.17Å; A225-D228 PolarHBondContact O-N 3Å; A225-D228 VanDerWaalsContact O-N 3.1Å; A225-A229 PolarHBondContact O-N 3.31Å
226E67.2Low76Confident33 Ų3349.3 Ų49.315%0.15428%0.282CS..Hα-helixtrans-59.7-37.1175.5-69.2162.3148.200111.2L94 L218 K221 S223 D228 A229L94-E226 HydrophobicContact CD2-CB 4.39Å; L94-E226 HydrophobicContact CD2-CG 3.5Å; L218-E226 HydrophobicContact CD1-CB 4.45Å; L218-E226 HydrophobicContact CD2-CB 4.29Å; L218-E226 HydrophobicContact CD2-CG 4.12Å; K221-E226 VanDerWaalsContact CB-CD 3.41Å; K221-E226 WeakPolarHBondContact CB-OE1 3.25Å; K221-E226 WeakPolarHBondContact CB-OE2 3.44Å; K221-E226 VanDerWaalsContact CD-OE1 3.26Å; K221-E226 WeakPolarHBondContact CD-OE1 3.35Å; K221-E226 VanDerWaalsContact O-OE2 3.12Å; S223-E226 WeakPolarHBondContact CB-OE2 3.44Å; S223-E226 PolarHBondContact N-OE2 3.47Å; S223-E226 PolarHBondContact O-N 3.43Å; S223-E226 WeakPolarHBondContact OG-CG 3.38Å; S223-E226 PolarHBondContact OG-N 2.85Å; S223-E226 PolarHBondContact OG-OE2 3.25Å; E226-D228 PolarHBondContact O-N 3.29Å; E226-A229 WeakPolarHBondContact O-CB 3.35Å; E226-A229 PolarHBondContact O-N 3.39Å
227S68.3Low77.3Confident23 Ų2342.2 Ų42.216%0.16125%0.254CS..Hα-helixtrans-58.1-29.5176134.70000114.5R126 S223 S224 A225R126-S227 VanDerWaalsContact CB-O 3.28Å; R126-S227 WeakPolarHBondContact CB-O 3.36Å; R126-S227 PolarHBondContact NE-O 3.41Å; R126-S227 PolarHBondContact NH1-OG 3.41Å; R126-S227 VanDerWaalsContact NH2-CA 3.26Å; S223-S227 WeakPolarHBondContact O-CB 3.48Å; S223-S227 PolarHBondContact O-N 3.24Å; S224-S227 WeakPolarHBondContact O-CB 3.44Å; S224-S227 PolarHBondContact O-OG 3.3Å; A225-S227 PolarHBondContact O-N 3.17Å
228D82.5Confident78.8Confident16 Ų1641.9 Ų41.99%0.08625%0.252CS..THydrogen-bonded Turntrans-1061.7-172.5-67.3-32.8000113T118 S124 A125 S224 A225 E226T118-D228 VanDerWaalsContact CG2-OD2 3.28Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.48Å; S124-D228 WeakPolarHBondContact CB-OD1 3.42Å; S124-D228 PolarHBondContact OG-OD1 2.99Å; A125-D228 PolarHBondContact N-O 3.24Å; S224-D228 VanDerWaalsContact O-CG 3.28Å; S224-D228 PolarHBondContact O-N 3.34Å; A225-D228 PolarHBondContact O-N 3Å; A225-D228 VanDerWaalsContact O-N 3.1Å; E226-D228 PolarHBondContact O-N 3.29Å
229A93.8Very high80.4Confident8 Ų844.5 Ų44.57%0.06627%0.266CS..  trans-78156.3-174.500000113.5L94 C97 A98 V99 A125 L218 A225 E226L94-A229 HydrophobicContact CD1-CB 3.53Å; C97-A229 HydrophobicContact CB-CB 3.96Å; A98-A229 WeakPolarHBondContact O-CA 3.44Å; V99-A229 HydrophobicContact CG1-CB 4.19Å; A125-A229 WeakPolarHBondContact CB-O 3.37Å; L218-A229 HydrophobicContact CD1-CB 4.43Å; A225-A229 PolarHBondContact O-N 3.31Å; E226-A229 WeakPolarHBondContact O-CB 3.35Å; E226-A229 PolarHBondContact O-N 3.39Å
230W96.1Very high82.1Confident0 Ų044.5 Ų44.50%026%0.256CS..EExtended strand (participates in β ladder)trans-109.9133.2-179.8-63.777.5000109.5C97 A98 L100 L123 A125 I128 F174 L210C97-W230 CarbonylContact C-O 3.57Å; C97-W230 WeakPolarHBondContact CA-O 3.29Å; C97-W230 WeakPolarHBondContact CB-O 3.37Å; A98-W230 PolarHBondContact N-O 2.96Å; A98-W230 PolarHBondContact O-N 3.22Å; L100-W230 HydrophobicContact CD1-CD2 4.36Å; L100-W230 HydrophobicContact CD1-CZ2 4.38Å; L123-W230 HydrophobicContact CD2-CZ2 4.07Å; L123-W230 HydrophobicContact CG-CZ2 4.16Å; L123-W230 PolarHBondContact O-NE1 3.07Å; A125-W230 HydrophobicContact CB-CD2 3.76Å; A125-W230 HydrophobicContact CB-CE3 4.24Å; A125-W230 HydrophobicContact CB-CG 4.04Å; A125-W230 HydrophobicContact CB-CH2 4.46Å; A125-W230 HydrophobicContact CB-CZ2 4.01Å; I128-W230 HydrophobicContact CD1-CH2 3.84Å; I128-W230 HydrophobicContact CD1-CZ2 3.91Å; F174-W230 HydrophobicContact CD2-CE3 4.19Å; F174-W230 AromaticContact CD2-CH2 3.61Å; F174-W230 HydrophobicContact CD2-CH2 3.61Å; F174-W230 HydrophobicContact CD2-CZ2 4.01Å; 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 3.59Å; F174-W230 HydrophobicContact CE2-CZ2 3.59Å; F174-W230 AromaticContact CE2-CZ3 3.89Å; F174-W230 HydrophobicContact CE2-CZ3 3.89Å; F174-W230 HydrophobicContact CZ-CH2 4.42Å; L210-W230 HydrophobicContact CB-CB 3.86Å; L210-W230 HydrophobicContact CB-CD2 4.37Å; L210-W230 HydrophobicContact CB-CE3 4.14Å; L210-W230 HydrophobicContact CB-CG 4.29Å; L210-W230 HydrophobicContact CD2-CB 3.9Å; L210-W230 HydrophobicContact CG-CB 4.35Å
231V96.3Very high84.1Confident19 Ų1940.9 Ų40.912%0.11522%0.218CC..EExtended strand (participates in β ladder)trans-77130.3179.3178.40000110.1L210 L211 K213 C215L210-V231 WeakPolarHBondContact CA-O 3.4Å; L211-V231 HydrophobicContact CB-CB 4.36Å; L211-V231 PolarHBondContact N-O 3.48Å; L211-V231 PolarHBondContact O-N 2.88Å; K213-V231 HydrophobicContact CD-CB 4.43Å; K213-V231 HydrophobicContact CD-CG1 4.37Å; K213-V231 HydrophobicContact CD-CG2 4.47Å; K213-V231 HydrophobicContact CG-CB 3.9Å; K213-V231 HydrophobicContact CG-CG1 4.34Å; K213-V231 HydrophobicContact CG-CG2 3.63Å; C215-V231 HydrophobicContact CB-CG2 3.89Å
232L97.2Very high86.2Confident8 Ų834.8 Ų34.84%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-75.6135.2175.1-68166.8000110.3F88 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 3.43Å; A98-L232 HydrophobicContact CB-CD2 4.23Å; A98-L232 HydrophobicContact CB-CG 4.44Å; P181-L232 HydrophobicContact CB-CD1 4.36Å; P181-L232 HydrophobicContact CB-CD2 4.42Å; P181-L232 HydrophobicContact CG-CD2 4.03Å; F208-L232 HydrophobicContact CD2-CD2 3.52Å; F208-L232 HydrophobicContact CE2-CD2 3.51Å; L210-L232 HydrophobicContact CD2-CD2 3.7Å; L232-F234 HydrophobicContact CB-CE2 4.07Å; L232-F234 HydrophobicContact CB-CZ 4.45Å; L232-L321 HydrophobicContact CB-CD1 4.09Å; L232-L321 HydrophobicContact CD1-CD1 4.06Å; L232-L321 HydrophobicContact CD1-CD2 4.32Å
233Q97.7Very high88.4Confident22 Ų2228.1 Ų28.110%0.10316%0.161CC..EExtended strand (participates in β ladder)trans-140.3144.9174-178.9-88.513.600109.8E67 F208 N209 L211 G235E67-Q233 PolarHBondContact OE1-NE2 2.96Å; F208-Q233 WeakPolarHBondContact CA-O 3.41Å; F208-Q233 WeakPolarHBondContact CB-O 3.21Å; N209-Q233 PolarHBondContact N-O 3.12Å; N209-Q233 PolarHBondContact ND2-OE1 3.21Å; N209-Q233 PolarHBondContact O-N 3.4Å; L211-Q233 HydrophobicContact CD1-CB 3.52Å; L211-Q233 HydrophobicContact CD1-CG 4.32Å; L211-Q233 HydrophobicContact CD2-CB 4.12Å; L211-Q233 HydrophobicContact CD2-CG 4.28Å; L211-Q233 HydrophobicContact CG-CB 4.47Å; Q233-G235 VanDerWaalsContact NE2-CA 3.31Å; Q233-G235 VanDerWaalsContact OE1-N 3.1Å
234F98.1Very high90Very high1 Ų127.2 Ų27.20%0.00416%0.16CC..  trans-125.330.6-170.6-62-90.6000112.3W180 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 3.68Å; W180-F234 HydrophobicContact CH2-CE1 3.68Å; W180-F234 AromaticContact CZ2-CD1 3.95Å; W180-F234 HydrophobicContact CZ2-CD1 3.95Å; W180-F234 AromaticContact CZ2-CE1 3.77Å; W180-F234 HydrophobicContact CZ2-CE1 3.77Å; W180-F234 AromaticContact CZ3-CD1 4Å; W180-F234 HydrophobicContact CZ3-CD1 4Å; W180-F234 HydrophobicContact CZ3-CE1 4.14Å; P181-F234 HydrophobicContact CB-CZ 4.48Å; P181-F234 HydrophobicContact CG-CE1 3.86Å; P181-F234 HydrophobicContact CG-CZ 3.85Å; A184-F234 HydrophobicContact CB-CE1 4.32Å; A184-F234 HydrophobicContact CB-CZ 4.05Å; F208-F234 HydrophobicContact CB-CD1 3.74Å; F208-F234 HydrophobicContact CB-CE1 3.77Å; F208-F234 HydrophobicContact CB-CG 4.49Å; F208-F234 HydrophobicContact CG-CE1 4.44Å; L232-F234 HydrophobicContact CB-CE2 4.07Å; L232-F234 HydrophobicContact CB-CZ 4.45Å; F234-E236 PolarHBondContact O-N 3.48Å; F234-A237 HydrophobicContact CB-CB 4.3Å; F234-A237 PolarHBondContact O-N 3.01Å; F234-E238 HydrophobicContact CB-CG 4.06Å; F234-E238 WeakPolarHBondContact O-CB 3.46Å; F234-E238 WeakPolarHBondContact O-CG 3.32Å; F234-E238 PolarHBondContact O-N 2.87Å; F234-H318 AromaticContact CD2-CE1 3.83Å; F234-F320 HydrophobicContact CB-CD2 3.66Å; F234-F320 HydrophobicContact CB-CE2 3.8Å; F234-F320 AromaticContact CD1-CD2 3.98Å; F234-F320 HydrophobicContact CD1-CD2 3.98Å; F234-F320 HydrophobicContact CD1-CE2 4.42Å; F234-F320 HydrophobicContact CD1-CG 4.42Å; F234-F320 HydrophobicContact CD2-CB 4.25Å; F234-F320 AromaticContact CD2-CD2 3.97Å; F234-F320 HydrophobicContact CD2-CD2 3.97Å; F234-F320 HydrophobicContact CE2-CB 4.11Å; F234-F320 AromaticContact CG-CD2 3.61Å; F234-F320 HydrophobicContact CG-CD2 3.61Å; F234-F320 HydrophobicContact CG-CE2 4.16Å; F234-F320 HydrophobicContact CG-CG 4.34Å; F234-F320 HydrophobicContact CZ-CB 4.23Å; F234-L321 HydrophobicContact CE2-CD1 3.91Å; F234-L321 HydrophobicContact CE2-CD2 4.31Å; F234-L321 HydrophobicContact CE2-CG 3.95Å; F234-L321 HydrophobicContact CZ-CD2 4.3Å; F234-L321 HydrophobicContact CZ-CG 4.42Å
235G96.1Very high91.8Very high3 Ų325.2 Ų25.23%0.03115%0.154CC..Hα-helixtrans-54.9-48-165.800000113.8Q233 N239 K275Q233-G235 VanDerWaalsContact NE2-CA 3.31Å; Q233-G235 VanDerWaalsContact OE1-N 3.1Å; G235-N239 WeakPolarHBondContact O-CB 3.46Å; G235-N239 PolarHBondContact O-N 3.08Å; G235-N239 PolarHBondContact O-ND2 3.3Å; G235-N239 VanDerWaalsContact O-ND2 3.11Å; G235-N239 PolarHBondContact O-OD1 3.49Å; G235-K275 PolarHBondContact O-NZ 3.05Å
236E95.7Very high93.6Very high40 Ų4023.1 Ų23.119%0.18714%0.137CC..Hα-helixtrans-65.6-49.2177.3-67.780.1179.900111.8Y79 E206 N209 F234 E238 N239 R240Y79-E236 PolarHBondContact OH-OE1 3.19Å; E206-E236 HydrophobicContact CB-CB 4.16Å; N209-E236 PolarHBondContact ND2-OE2 2.98Å; F234-E236 PolarHBondContact O-N 3.48Å; E236-E238 VanDerWaalsContact C-N 3.35Å; E236-E238 PolarHBondContact O-N 2.73Å; E236-N239 PolarHBondContact O-N 3.22Å; E236-N239 VanDerWaalsContact O-N 3.12Å; E236-R240 PolarHBondContact O-N 3.07Å
237A98Very high95.1Very high0 Ų021.6 Ų21.60%013%0.13CC..Hα-helixtrans-57.9-44.1177.300000112.2W180 V203 E206 F234 R240 L241W180-A237 HydrophobicContact CH2-CB 4.03Å; W180-A237 HydrophobicContact CZ3-CB 4.22Å; V203-A237 HydrophobicContact CG1-CB 3.91Å; E206-A237 HydrophobicContact CB-CB 4.24Å; F234-A237 HydrophobicContact CB-CB 4.3Å; F234-A237 PolarHBondContact O-N 3.01Å; A237-R240 PolarHBondContact O-N 3.11Å; A237-L241 WeakPolarHBondContact O-CB 3.26Å; A237-L241 PolarHBondContact O-N 3.02Å
238E98.4Very high96.5Very high2 Ų224.2 Ų24.21%0.00914%0.142CC..Hα-helixtrans-65.3-39.5175.1-67168.8173.600112.2F234 E236 R240 L241 L242 Y272 K275 L279 F320F234-E238 HydrophobicContact CB-CG 4.06Å; F234-E238 WeakPolarHBondContact O-CB 3.46Å; F234-E238 WeakPolarHBondContact O-CG 3.32Å; F234-E238 PolarHBondContact O-N 2.87Å; E236-E238 VanDerWaalsContact C-N 3.35Å; E236-E238 PolarHBondContact O-N 2.73Å; E238-R240 VanDerWaalsContact C-N 3.35Å; E238-L241 PolarHBondContact O-N 3.07Å; E238-L242 WeakPolarHBondContact O-CG 3.27Å; E238-L242 PolarHBondContact O-N 2.96Å; E238-Y272 WeakPolarHBondContact OE1-CE2 3.39Å; E238-Y272 PolarHBondContact OE1-OH 3.34Å; E238-Y272 WeakPolarHBondContact OE2-CE2 3.41Å; E238-K275 HydrophobicContact CB-CD 4.47Å; E238-K275 VanDerWaalsContact CB-NZ 3.3Å; E238-K275 WeakPolarHBondContact OE2-CD 3.43Å; E238-K275 VanDerWaalsContact OE2-CE 3.25Å; E238-K275 WeakPolarHBondContact OE2-CE 3.25Å; E238-K275 IonicContact OE2-NZ 2.82Å; E238-K275 PolarHBondContact OE2-NZ 3.26Å; E238-L279 HydrophobicContact CB-CD1 4.44Å; E238-L279 HydrophobicContact CG-CD1 4.11Å; E238-F320 HydrophobicContact CG-CD2 4.25Å; E238-F320 HydrophobicContact CG-CE2 3.62Å
239N97.1Very high97.3Very high80 Ų8025.1 Ų25.143%0.42815%0.145SC..Hα-helixtrans-65.8-40.3177.9-70.7-22.3000111G235 E236 L241 L242 K275G235-N239 WeakPolarHBondContact O-CB 3.46Å; G235-N239 PolarHBondContact O-N 3.08Å; G235-N239 PolarHBondContact O-ND2 3.3Å; G235-N239 VanDerWaalsContact O-ND2 3.11Å; G235-N239 PolarHBondContact O-OD1 3.49Å; E236-N239 PolarHBondContact O-N 3.22Å; E236-N239 VanDerWaalsContact O-N 3.12Å; N239-L241 VanDerWaalsContact C-N 3.33Å; N239-L242 PolarHBondContact O-N 3.18Å; N239-K275 WeakPolarHBondContact OD1-CE 3.44Å; N239-K275 PolarHBondContact OD1-NZ 3.12Å
240R97.7Very high97.5Very high87 Ų8724.8 Ų24.833%0.32814%0.142SC..Hα-helixtrans-61.2-42.5173.4-178.562.763.7-162.32.8111.4E202 V203 E206 E236 A237 E238 L242 M243E202-R240 HydrophobicContact CB-CG 4.09Å; V203-R240 HydrophobicContact CG2-CB 4.15Å; V203-R240 HydrophobicContact CG2-CG 3.85Å; E206-R240 HydrophobicContact CG-CB 3.92Å; E206-R240 HydrophobicContact CG-CG 4.15Å; E206-R240 IonicContact OE1-CZ 3.15Å; E206-R240 IonicContact OE1-NE 2.68Å; E206-R240 PolarHBondContact OE1-NE 3.41Å; E206-R240 IonicContact OE1-NH2 2.77Å; E206-R240 PolarHBondContact OE1-NH2 3.44Å; E236-R240 PolarHBondContact O-N 3.07Å; A237-R240 PolarHBondContact O-N 3.11Å; E238-R240 VanDerWaalsContact C-N 3.35Å; R240-L242 VanDerWaalsContact C-N 3.34Å; R240-L242 PolarHBondContact O-N 3.39Å; R240-M243 VanDerWaalsContact CD-CE 3.43Å; R240-M243 PolarHBondContact NH1-SD 2.73Å; R240-M243 WeakPolarHBondContact O-CG 3.31Å; R240-M243 PolarHBondContact O-N 3.32Å
241L98.3Very high97.7Very high2 Ų225.2 Ų25.21%0.0114%0.144CC..Hα-helixtrans-66.9-32.2-179.3-175.953.4000113W187 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 4.01Å; W187-L241 HydrophobicContact CZ2-CD2 3.81Å; W194-L241 HydrophobicContact CH2-CD1 3.37Å; W194-L241 HydrophobicContact CH2-CD2 4.06Å; W194-L241 HydrophobicContact CH2-CG 3.49Å; W194-L241 VanDerWaalsContact CH2-CG 3.49Å; W194-L241 HydrophobicContact CZ2-CD1 3.66Å; W194-L241 HydrophobicContact CZ2-CG 4.1Å; W194-L241 HydrophobicContact CZ3-CD1 3.9Å; W194-L241 HydrophobicContact CZ3-CD2 4.3Å; W194-L241 HydrophobicContact CZ3-CG 4.17Å; P195-L241 HydrophobicContact CB-CD1 3.9Å; P195-L241 HydrophobicContact CG-CD1 3.57Å; V203-L241 HydrophobicContact CG2-CB 3.76Å; V203-L241 HydrophobicContact CG2-CD1 4.15Å; V203-L241 HydrophobicContact CG2-CG 4.47Å; A237-L241 WeakPolarHBondContact O-CB 3.26Å; A237-L241 PolarHBondContact O-N 3.02Å; E238-L241 PolarHBondContact O-N 3.07Å; N239-L241 VanDerWaalsContact C-N 3.33Å; L241-M243 VanDerWaalsContact C-N 3.31Å; L241-M243 PolarHBondContact O-N 3.32Å; L241-L279 HydrophobicContact CB-CD2 4.23Å; L241-L279 HydrophobicContact CD2-CD2 3.55Å; L241-L279 HydrophobicContact CG-CD2 3.73Å; L241-Y319 HydrophobicContact CD2-CD1 4.4Å; L241-Y319 HydrophobicContact CD2-CE1 3.49Å; L241-Y319 VanDerWaalsContact CD2-CE1 3.49Å; L241-F320 HydrophobicContact CD2-CE1 4.3Å; L241-F320 HydrophobicContact CD2-CZ 3.86Å
242L98.3Very high97.8Very high0 Ų025.1 Ų25.10%014%0.144CC..THydrogen-bonded Turntrans-85.37.8-179.6-70.2176.5000115E238 N239 R240 R247 N248 L251 K275 L278 L279E238-L242 WeakPolarHBondContact O-CG 3.27Å; E238-L242 PolarHBondContact O-N 2.96Å; N239-L242 PolarHBondContact O-N 3.18Å; R240-L242 VanDerWaalsContact C-N 3.34Å; R240-L242 PolarHBondContact O-N 3.39Å; L242-R247 WeakPolarHBondContact O-CB 3.43Å; L242-N248 PolarHBondContact O-ND2 3.03Å; L242-L251 HydrophobicContact CD1-CD2 4.12Å; L242-K275 HydrophobicContact CD1-CG 3.76Å; L242-L278 HydrophobicContact CD1-CD2 4.08Å; L242-L278 HydrophobicContact CD2-CD2 3.68Å; L242-L278 HydrophobicContact CD2-CG 3.67Å; L242-L278 HydrophobicContact CG-CD2 4.47Å; L242-L279 HydrophobicContact CD1-CD2 4.41Å; L242-L279 HydrophobicContact CD2-CD2 3.55Å; L242-L279 HydrophobicContact CD2-CG 4.01Å; L242-L279 HydrophobicContact CG-CD2 3.75Å; L242-L279 HydrophobicContact CG-CG 4.32Å
243M97.1Very high97.8Very high57 Ų5724.7 Ų24.728%0.28114%0.142SC..  trans-72.3146.7176.4-63.6-168.5-43.500112.2R240 L241 R247R240-M243 VanDerWaalsContact CD-CE 3.43Å; R240-M243 PolarHBondContact NH1-SD 2.73Å; R240-M243 WeakPolarHBondContact O-CG 3.31Å; R240-M243 PolarHBondContact O-N 3.32Å; L241-M243 VanDerWaalsContact C-N 3.31Å; L241-M243 PolarHBondContact O-N 3.32Å; M243-R247 PolarHBondContact O-NH1 2.98Å
244G96.4Very high97.9Very high35 Ų3523.8 Ų23.836%0.36114%0.138SC..SBendtrans97.8147.6176.900000113.8R247G244-R247 VanDerWaalsContact C-NH1 3.33Å; G244-R247 WeakPolarHBondContact O-CD 3.41Å; G244-R247 WeakPolarHBondContact O-CG 3.22Å; G244-R247 PolarHBondContact O-NH1 2.82Å
245G97.7Very high97.9Very high49 Ų4926 Ų2651%0.50515%0.148SC..THydrogen-bonded Turntrans58.7-154.8-179.300000113.9R247 W291G245-R247 VanDerWaalsContact C-N 3.28Å; G245-R247 PolarHBondContact O-N 2.91Å; G245-W291 CarbonylContact C-O 3.6Å; G245-W291 WeakPolarHBondContact CA-O 3.47Å
246C98.2Very high98Very high0 Ų026 Ų260%015%0.147CC..THydrogen-bonded Turntrans-85.29.1179.870.30000113.7N248 K249 C250 W291 D292 L296C246-N248 PolarHBondContact O-N 3.15Å; C246-K249 HydrophobicContact CB-CB 4.48Å; C246-K249 CarbonylContact O-C 3.52Å; C246-K249 WeakPolarHBondContact O-CA 3.3Å; C246-K249 WeakPolarHBondContact O-CB 3.36Å; C246-K249 PolarHBondContact O-N 3.48Å; C246-C250 WeakPolarHBondContact O-CB 3.4Å; C246-C250 PolarHBondContact O-N 2.81Å; C246-W291 PolarHBondContact N-O 3.36Å; C246-W291 PolarHBondContact SG-O 2.87Å; C246-D292 PolarHBondContact SG-O 3.02Å; C246-L296 HydrophobicContact CB-CB 4.48Å; C246-L296 HydrophobicContact CB-CD1 4.26Å
247R98.7Very high98.1Very high1 Ų124.2 Ų24.20%0.00414%0.139CC..Hα-helixtrans-50.9-55-176.2-69176.4-176.2104.5-8.7113L242 M243 G244 G245 K249 C250 L251 L278 C282 E288 W291L242-R247 WeakPolarHBondContact O-CB 3.43Å; M243-R247 PolarHBondContact O-NH1 2.98Å; G244-R247 VanDerWaalsContact C-NH1 3.33Å; G244-R247 WeakPolarHBondContact O-CD 3.41Å; G244-R247 WeakPolarHBondContact O-CG 3.22Å; G244-R247 PolarHBondContact O-NH1 2.82Å; G245-R247 VanDerWaalsContact C-N 3.28Å; G245-R247 PolarHBondContact O-N 2.91Å; R247-K249 VanDerWaalsContact C-N 3.31Å; R247-K249 PolarHBondContact O-N 3.36Å; R247-C250 WeakPolarHBondContact O-CB 3.36Å; R247-C250 PolarHBondContact O-N 2.98Å; R247-L251 PolarHBondContact O-N 3.03Å; R247-L278 HydrophobicContact CB-CD2 4.48Å; R247-L278 WeakPolarHBondContact O-CD2 3.44Å; R247-C282 PolarHBondContact NE-SG 2.79Å; R247-E288 IonicContact CZ-OE1 3.56Å; R247-E288 IonicContact CZ-OE2 3.66Å; R247-E288 IonicContact NH1-OE1 3.43Å; R247-E288 PolarHBondContact NH1-OE1 3.42Å; R247-E288 IonicContact NH1-OE2 2.84Å; R247-E288 PolarHBondContact NH1-OE2 3.29Å; R247-E288 IonicContact NH2-OE1 2.8Å; R247-E288 PolarHBondContact NH2-OE1 3.25Å; R247-E288 IonicContact NH2-OE2 3.54Å; R247-W291 HydrophobicContact CB-CE3 4.23Å; R247-W291 HydrophobicContact CG-CB 4.36Å; R247-W291 HydrophobicContact CG-CD2 3.5Å; R247-W291 HydrophobicContact CG-CE3 3.3Å; R247-W291 HydrophobicContact CG-CG 3.97Å; R247-W291 HydrophobicContact CG-CZ3 3.86Å; R247-W291 VanDerWaalsContact CZ-CD1 3.5Å
248N98Very high98.2Very high79 Ų7924.4 Ų24.442%0.42214%0.139SC..Hα-helixtrans-67.4-30179.1-82.2-46000113.5L242 C246 S252L242-N248 PolarHBondContact O-ND2 3.03Å; C246-N248 PolarHBondContact O-N 3.15Å; N248-S252 WeakPolarHBondContact O-CB 3.32Å; N248-S252 PolarHBondContact O-N 3.17Å; N248-S252 PolarHBondContact O-OG 2.77Å
249K98.4Very high98.1Very high35 Ų3525.6 Ų25.615%0.15215%0.146CC..Hα-helixtrans-67-48.3173.3-172.5-176.2-70.4179.10109.9N13 Y16 C246 R247 L251 S252 V253 E293 L296N13-K249 PolarHBondContact OD1-NZ 2.88Å; Y16-K249 HydrophobicContact CD1-CD 4.3Å; Y16-K249 HydrophobicContact CD1-CG 4.11Å; Y16-K249 HydrophobicContact CD2-CD 4.48Å; Y16-K249 HydrophobicContact CD2-CG 3.52Å; Y16-K249 HydrophobicContact CE1-CG 4.23Å; Y16-K249 HydrophobicContact CE2-CB 4.26Å; Y16-K249 HydrophobicContact CE2-CG 3.68Å; Y16-K249 HydrophobicContact CG-CD 4.24Å; Y16-K249 HydrophobicContact CG-CG 3.75Å; C246-K249 HydrophobicContact CB-CB 4.48Å; C246-K249 CarbonylContact O-C 3.52Å; C246-K249 WeakPolarHBondContact O-CA 3.3Å; C246-K249 WeakPolarHBondContact O-CB 3.36Å; C246-K249 PolarHBondContact O-N 3.48Å; R247-K249 VanDerWaalsContact C-N 3.31Å; R247-K249 PolarHBondContact O-N 3.36Å; K249-L251 PolarHBondContact O-N 3.16Å; K249-S252 WeakPolarHBondContact O-CB 3.42Å; K249-S252 PolarHBondContact O-N 2.85Å; K249-S252 VanDerWaalsContact O-N 3.1Å; K249-V253 PolarHBondContact O-N 2.59Å; K249-E293 IonicContact NZ-OE1 2.99Å; K249-E293 PolarHBondContact NZ-OE1 3.27Å; K249-E293 IonicContact NZ-OE2 2.67Å; K249-E293 PolarHBondContact NZ-OE2 2.81Å; K249-L296 HydrophobicContact CD-CD2 3.78Å; K249-L296 HydrophobicContact CG-CD2 4.39Å
250C98.7Very high98.1Very high0 Ų027.7 Ų27.70%015%0.148CC..Hα-helixtrans-57.4-46.2174.7-167.20000111.5C246 R247 S252 V253 L254 L296C246-C250 WeakPolarHBondContact O-CB 3.4Å; C246-C250 PolarHBondContact O-N 2.81Å; R247-C250 WeakPolarHBondContact O-CB 3.36Å; R247-C250 PolarHBondContact O-N 2.98Å; C250-S252 VanDerWaalsContact C-N 3.3Å; C250-S252 PolarHBondContact O-N 2.97Å; C250-V253 PolarHBondContact O-N 3.23Å; C250-L254 WeakPolarHBondContact O-CG 3.44Å; C250-L254 PolarHBondContact O-N 3.42Å; C250-L296 HydrophobicContact CB-CD1 3.82Å
251L98.7Very high98.1Very high9 Ų926.3 Ų26.35%0.04715%0.145CC..Hα-helixtrans-58.8-41.9174.8-170.454000112.2L242 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 3.16Å; L251-V253 VanDerWaalsContact C-N 3.33Å; L251-V253 PolarHBondContact O-N 2.75Å; L251-L254 PolarHBondContact O-N 3.06Å; L251-K255 HydrophobicContact CD1-CD 4.47Å; L251-K255 HydrophobicContact CD1-CG 4.29Å; L251-K255 HydrophobicContact CG-CD 4.23Å; L251-K255 HydrophobicContact CG-CG 4.43Å; L251-K255 VanDerWaalsContact O-CG 3.28Å; L251-K255 WeakPolarHBondContact O-CG 3.33Å; L251-K255 PolarHBondContact O-N 3.46Å; L251-M274 HydrophobicContact CD1-CB 4.07Å; 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 3.66Å; L251-L278 HydrophobicContact CD1-CD2 4.26Å; L251-L278 HydrophobicContact CD2-CD2 4.35Å; L251-L278 HydrophobicContact CG-CD2 4.29Å
252S98.5Very high98.1Very high17 Ų1726.3 Ų26.312%0.11915%0.145CC..Hα-helixtrans-63.3-40.3178.7-60.10000111.8K24 N248 K249 C250 T256K24-S252 WeakPolarHBondContact CE-OG 3.25Å; K24-S252 PolarHBondContact NZ-OG 2.87Å; N248-S252 WeakPolarHBondContact O-CB 3.32Å; N248-S252 PolarHBondContact O-N 3.17Å; N248-S252 PolarHBondContact O-OG 2.77Å; K249-S252 WeakPolarHBondContact O-CB 3.42Å; K249-S252 PolarHBondContact O-N 2.85Å; K249-S252 VanDerWaalsContact O-N 3.1Å; C250-S252 VanDerWaalsContact C-N 3.3Å; C250-S252 PolarHBondContact O-N 2.97Å; S252-T256 WeakPolarHBondContact O-CB 3.35Å; S252-T256 PolarHBondContact O-N 2.96Å; S252-T256 PolarHBondContact O-OG1 3.1Å
253V98.7Very high98Very high0 Ų030.2 Ų30.20%016%0.163CC..Hα-helixtrans-63.5-49.5174.6175.10000110.5L12 Y15 Y16 K249 C250 L251 K255 T256 L257 L300L12-V253 HydrophobicContact CD2-CG1 4.11Å; Y15-V253 HydrophobicContact CD1-CG1 4.17Å; Y15-V253 HydrophobicContact CE1-CG1 4.37Å; Y16-V253 HydrophobicContact CD2-CG2 4.34Å; K249-V253 PolarHBondContact O-N 2.59Å; C250-V253 PolarHBondContact O-N 3.23Å; L251-V253 VanDerWaalsContact C-N 3.33Å; L251-V253 PolarHBondContact O-N 2.75Å; V253-K255 PolarHBondContact O-N 3.28Å; V253-T256 PolarHBondContact O-N 3.39Å; V253-T256 VanDerWaalsContact O-N 3.12Å; V253-L257 HydrophobicContact CG1-CD1 3.84Å; V253-L257 HydrophobicContact CG1-CG 4.26Å; V253-L257 WeakPolarHBondContact O-CG 3.46Å; V253-L257 PolarHBondContact O-N 3.24Å; V253-L300 HydrophobicContact CB-CD1 4.41Å; V253-L300 HydrophobicContact CG1-CD1 3.95Å; V253-L300 HydrophobicContact CG1-CD2 3.91Å
254L98.7Very high98Very high2 Ų228.6 Ų28.61%0.0116%0.156CC..Hα-helixtrans-57.2-46.6178.7-72.5163000112.6C250 L251 T256 L257 R258 M274 L300 I303 L304C250-L254 WeakPolarHBondContact O-CG 3.44Å; C250-L254 PolarHBondContact O-N 3.42Å; L251-L254 PolarHBondContact O-N 3.06Å; L254-T256 VanDerWaalsContact C-N 3.31Å; L254-T256 PolarHBondContact O-N 3.43Å; L254-L257 PolarHBondContact O-N 3.32Å; L254-R258 WeakPolarHBondContact O-CB 3.42Å; L254-R258 PolarHBondContact O-N 2.97Å; L254-M274 HydrophobicContact CB-CB 3.96Å; L254-M274 HydrophobicContact CB-CG 4.11Å; L254-M274 HydrophobicContact CB-SD 4.28Å; L254-M274 HydrophobicContact CD2-SD 4.35Å; L254-L300 HydrophobicContact CD1-CD1 4.5Å; L254-L300 HydrophobicContact CD2-CD1 3.54Å; L254-L300 HydrophobicContact CG-CD1 3.63Å; L254-I303 HydrophobicContact CD1-CB 4.29Å; L254-I303 HydrophobicContact CD1-CD1 3.85Å; L254-I303 HydrophobicContact CD1-CG2 3.62Å; L254-I303 HydrophobicContact CD2-CB 4.48Å; L254-I303 HydrophobicContact CD2-CG2 3.84Å; L254-I303 HydrophobicContact CG-CG2 4.4Å; L254-L304 HydrophobicContact CD2-CD2 3.93Å; L254-L304 HydrophobicContact CD2-CG 4.3Å
255K98.6Very high97.9Very high49 Ų4932.4 Ų32.421%0.21317%0.174CC..Hα-helixtrans-62.8-39.2177.1-68.2-176.8175.7-176.40111.7L251 V253 R258 D259 N271L251-K255 HydrophobicContact CD1-CD 4.47Å; L251-K255 HydrophobicContact CD1-CG 4.29Å; L251-K255 HydrophobicContact CG-CD 4.23Å; L251-K255 HydrophobicContact CG-CG 4.43Å; L251-K255 VanDerWaalsContact O-CG 3.28Å; L251-K255 WeakPolarHBondContact O-CG 3.33Å; L251-K255 PolarHBondContact O-N 3.46Å; V253-K255 PolarHBondContact O-N 3.28Å; K255-R258 PolarHBondContact O-N 3.14Å; K255-D259 PolarHBondContact O-N 3.46Å; K255-N271 WeakPolarHBondContact CB-OD1 3.46Å; K255-N271 HydrophobicContact CD-CB 4.24Å; K255-N271 HydrophobicContact CG-CB 4.17Å; K255-N271 VanDerWaalsContact CG-OD1 3.3Å; K255-N271 WeakPolarHBondContact CG-OD1 3.34Å
256T98.6Very high97.7Very high3 Ų332.3 Ų32.32%0.01817%0.173CC..Hα-helixtrans-68.9-43178.7-54.60000111.6Y15 R19 C20 R23 S252 V253 L254 R258 D259 R260Y15-T256 HydrophobicContact CE1-CG2 3.81Å; R19-T256 HydrophobicContact CB-CG2 4.08Å; C20-T256 PolarHBondContact SG-OG1 3.42Å; R23-T256 WeakPolarHBondContact CD-OG1 3.36Å; S252-T256 WeakPolarHBondContact O-CB 3.35Å; S252-T256 PolarHBondContact O-N 2.96Å; S252-T256 PolarHBondContact O-OG1 3.1Å; V253-T256 PolarHBondContact O-N 3.39Å; V253-T256 VanDerWaalsContact O-N 3.12Å; L254-T256 VanDerWaalsContact C-N 3.31Å; L254-T256 PolarHBondContact O-N 3.43Å; T256-R258 VanDerWaalsContact C-N 3.31Å; T256-R258 PolarHBondContact O-N 3.23Å; T256-D259 PolarHBondContact O-N 3.07Å; T256-R260 VanDerWaalsContact O-CG 3.29Å; T256-R260 WeakPolarHBondContact O-CG 3.39Å; T256-R260 PolarHBondContact O-N 2.97Å
257L98.3Very high97.5Very high1 Ų137 Ų371%0.00520%0.195CC..Hα-helixtrans-62.1-40.3174.1-72.7172.7000111.5Y15 V253 L254 R260 H261 L345 I349 L356Y15-L257 HydrophobicContact CE1-CD2 4.26Å; Y15-L257 HydrophobicContact CE1-CG 4.33Å; Y15-L257 HydrophobicContact CE2-CD2 4.47Å; V253-L257 HydrophobicContact CG1-CD1 3.84Å; V253-L257 HydrophobicContact CG1-CG 4.26Å; V253-L257 WeakPolarHBondContact O-CG 3.46Å; V253-L257 PolarHBondContact O-N 3.24Å; L254-L257 PolarHBondContact O-N 3.32Å; L257-R260 PolarHBondContact O-N 3.09Å; L257-H261 WeakPolarHBondContact O-CB 3.45Å; L257-H261 PolarHBondContact O-CD2 3.43Å; L257-H261 PolarHBondContact O-N 2.96Å; L257-L345 HydrophobicContact CB-CD2 4.22Å; L257-L345 HydrophobicContact CD2-CD1 4.38Å; L257-L345 HydrophobicContact CD2-CD2 4.33Å; L257-I349 HydrophobicContact CD1-CD1 3.92Å; L257-I349 HydrophobicContact CD2-CD1 4.16Å; L257-L356 HydrophobicContact CD2-CD2 4.49Å
258R98.4Very high97.4Very high4 Ų437 Ų372%0.01520%0.195CC..Iπ-helixtrans-58.1-55.4175.4-171.7-148.864.5158.3-12.8111.2I69 L254 K255 T256 R260 H261 L262 E263 N270 N271 M274I69-R258 VanDerWaalsContact O-CZ 3.3Å; I69-R258 PolarHBondContact O-NH1 2.87Å; I69-R258 PolarHBondContact O-NH2 3.28Å; L254-R258 WeakPolarHBondContact O-CB 3.42Å; L254-R258 PolarHBondContact O-N 2.97Å; K255-R258 PolarHBondContact O-N 3.14Å; T256-R258 VanDerWaalsContact C-N 3.31Å; T256-R258 PolarHBondContact O-N 3.23Å; R258-R260 PolarHBondContact O-N 2.94Å; R258-R260 VanDerWaalsContact O-N 3.15Å; R258-H261 PolarHBondContact O-N 3.08Å; R258-L262 HydrophobicContact CG-CB 4.17Å; R258-L262 CarbonylContact O-C 3.1Å; R258-L262 WeakPolarHBondContact O-CA 3.33Å; R258-L262 PolarHBondContact O-N 2.81Å; R258-E263 PolarHBondContact O-N 2.74Å; R258-E263 VanDerWaalsContact O-N 3.17Å; R258-N270 VanDerWaalsContact CD-C 3.47Å; R258-N270 VanDerWaalsContact NH1-CA 3.3Å; R258-N271 PolarHBondContact NE-OD1 3.34Å; R258-N271 VanDerWaalsContact NH2-CG 3.27Å; R258-N271 PolarHBondContact NH2-ND2 3.05Å; R258-N271 PolarHBondContact NH2-OD1 3.18Å; R258-M274 HydrophobicContact CB-CE 3.91Å; R258-M274 HydrophobicContact CG-CE 3.89Å
259D97.4Very high97.4Very high28 Ų2833.3 Ų33.315%0.1518%0.175CC..Iπ-helixtrans-58.9-31.6-175.7-65.55.5000112.4R23 P71 K255 T256R23-D259 IonicContact CZ-OD2 3.24Å; R23-D259 IonicContact NE-OD2 3.79Å; R23-D259 PolarHBondContact NE-OD2 3.3Å; R23-D259 IonicContact NH2-OD1 2.74Å; R23-D259 IonicContact NH2-OD2 3.48Å; R23-D259 PolarHBondContact NH2-OD2 3.49Å; P71-D259 WeakPolarHBondContact CD-OD2 3.42Å; P71-D259 HydrophobicContact CG-CB 4.23Å; P71-D259 VanDerWaalsContact CG-OD2 3.28Å; P71-D259 WeakPolarHBondContact CG-OD2 3.33Å; K255-D259 PolarHBondContact O-N 3.46Å; T256-D259 PolarHBondContact O-N 3.07Å
260R97.4Very high97.3Very high124 Ų12434 Ų3447%0.46818%0.18SC..Iπ-helixtrans-92-27.7-174.9-65.5176.865.171.412.3113.9T256 L257 R258 L359T256-R260 VanDerWaalsContact O-CG 3.29Å; T256-R260 WeakPolarHBondContact O-CG 3.39Å; T256-R260 PolarHBondContact O-N 2.97Å; L257-R260 PolarHBondContact O-N 3.09Å; R258-R260 PolarHBondContact O-N 2.94Å; R258-R260 VanDerWaalsContact O-N 3.15Å; R260-L359 VanDerWaalsContact NE-C 3.3Å; R260-L359 PolarHBondContact NE-O 3.42Å; R260-L359 VanDerWaalsContact NE-O 3.17Å; R260-L359 PolarHBondContact NE-OXT 3.38Å; R260-L359 PolarHBondContact NH2-OXT 2.71Å
261H97.7Very high97.3Very high58 Ų5834.3 Ų34.327%0.26918%0.182SC..Iπ-helixtrans-135.6-16.6-168-51.9-63.8000115.3L257 R258 L345 L359L257-H261 WeakPolarHBondContact O-CB 3.45Å; L257-H261 PolarHBondContact O-CD2 3.43Å; L257-H261 PolarHBondContact O-N 2.96Å; R258-H261 PolarHBondContact O-N 3.08Å; H261-L345 HydrophobicContact CB-CD1 4.44Å; H261-L345 HydrophobicContact CB-CD2 4.04Å; H261-L359 PolarHBondContact CE1-OXT 3.11Å; H261-L359 VanDerWaalsContact NE2-C 3.35Å; H261-L359 WeakPolarHBondContact NE2-CB 3.29Å; H261-L359 PolarHBondContact NE2-OXT 2.75Å
262L97.9Very high97.3Very high2 Ų236.7 Ų36.71%0.0119%0.191CC..Iπ-helixtrans-122.715-174.9-51.3175.4000113R258 L264 L269 M274 L307 Q341 L345R258-L262 HydrophobicContact CG-CB 4.17Å; R258-L262 CarbonylContact O-C 3.1Å; R258-L262 WeakPolarHBondContact O-CA 3.33Å; R258-L262 PolarHBondContact O-N 2.81Å; L262-L264 PolarHBondContact O-N 3.49Å; L262-L264 VanDerWaalsContact O-N 3.15Å; L262-L269 HydrophobicContact CB-CD1 4.03Å; L262-L269 HydrophobicContact CD1-CD1 4Å; L262-L269 HydrophobicContact CG-CD1 4.47Å; L262-M274 HydrophobicContact CD1-CE 4.15Å; L262-L307 HydrophobicContact CD1-CD2 4.49Å; L262-Q341 HydrophobicContact CD2-CB 4.1Å; L262-L345 HydrophobicContact CD1-CD2 4.37Å; L262-L345 HydrophobicContact CD2-CD2 4.43Å; L262-L345 HydrophobicContact CG-CD2 4.33Å
263E95.7Very high97.3Very high81 Ų8135.9 Ų35.938%0.37919%0.186SC..  trans-76.791163.7-161.663-130.700108.2R258R258-E263 PolarHBondContact O-N 2.74Å; R258-E263 VanDerWaalsContact O-N 3.17Å
264L96.8Very high97.3Very high24 Ų2436 Ų3613%0.12619%0.186CC..  trans-114155.4-168.1-61.2174.1000112L262 G266 Q267 P268 A338 Q341L262-L264 PolarHBondContact O-N 3.49Å; L262-L264 VanDerWaalsContact O-N 3.15Å; L264-G266 PolarHBondContact O-N 3.04Å; L264-Q267 WeakPolarHBondContact O-CA 3.34Å; L264-Q267 PolarHBondContact O-N 3.41Å; L264-P268 HydrophobicContact CB-CG 4.03Å; L264-P268 HydrophobicContact CD1-CG 4.38Å; L264-A338 VanDerWaalsContact CD1-CA 3.48Å; L264-A338 HydrophobicContact CD1-CB 3.77Å; L264-Q341 HydrophobicContact CD1-CB 4.2Å; L264-Q341 HydrophobicContact CD1-CG 4.21Å; L264-Q341 HydrophobicContact CD2-CG 4.14Å
265P95.3Very high97.3Very high114 Ų11436.7 Ų36.774%0.7419%0.189SC*.THydrogen-bonded Turntrans-52133.6173.3-27.135.2000112.5Q267P265-Q267 VanDerWaalsContact C-N 3.32Å
266G92.3Very high97.3Very high47 Ų4734.3 Ų34.349%0.48518%0.179SC..THydrogen-bonded Turntrans83.51.4-174.300000114.8L264 P268L264-G266 PolarHBondContact O-N 3.04Å; G266-P268 VanDerWaalsContact C-CD 3.49Å
267Q94.4Very high97.3Very high100 Ų10034.3 Ų34.347%0.46718%0.178SC..  trans44.653.9179.2-62.9175-1200112.7L264 P265 L269 K330L264-Q267 WeakPolarHBondContact O-CA 3.34Å; L264-Q267 PolarHBondContact O-N 3.41Å; P265-Q267 VanDerWaalsContact C-N 3.32Å; Q267-L269 PolarHBondContact O-N 3.47Å; Q267-K330 WeakPolarHBondContact O-CE 3.31Å; Q267-K330 PolarHBondContact O-NZ 3.38Å
268P97.2Very high97.3Very high0 Ų034.2 Ų34.20%018%0.178CC..  trans-66.6-24.1-177.328.1-35000112.1L264 G266 H273 A334 L335 A338L264-P268 HydrophobicContact CB-CG 4.03Å; L264-P268 HydrophobicContact CD1-CG 4.38Å; G266-P268 VanDerWaalsContact C-CD 3.49Å; P268-H273 PolarHBondContact O-CE1 3.4Å; P268-H273 VanDerWaalsContact O-CE1 3.23Å; P268-A334 HydrophobicContact CB-CB 4.12Å; P268-A334 HydrophobicContact CG-CB 4.3Å; P268-L335 HydrophobicContact CB-CD2 3.97Å; P268-A338 HydrophobicContact CB-CB 4.06Å; P268-A338 HydrophobicContact CG-CB 3.73Å
269L98.2Very high97.3Very high2 Ų234 Ų341%0.0118%0.177CC..  trans-123.7136.2-175.8-65.5178.9000112.3L262 Q267 H273 M274 L307 L311 F327 A338L262-L269 HydrophobicContact CB-CD1 4.03Å; L262-L269 HydrophobicContact CD1-CD1 4Å; L262-L269 HydrophobicContact CG-CD1 4.47Å; Q267-L269 PolarHBondContact O-N 3.47Å; L269-H273 WeakPolarHBondContact CA-ND1 3.28Å; L269-M274 HydrophobicContact CD1-CE 4.48Å; L269-L307 HydrophobicContact CD1-CD2 4.17Å; L269-L307 HydrophobicContact CD2-CD1 3.68Å; L269-L311 HydrophobicContact CD1-CD1 4.25Å; L269-L311 HydrophobicContact CD2-CD1 4.32Å; L269-L311 HydrophobicContact CD2-CD2 3.94Å; L269-L311 HydrophobicContact CD2-CG 4.45Å; L269-F327 HydrophobicContact CD2-CE1 4.06Å; L269-F327 HydrophobicContact CD2-CZ 4.21Å; L269-A338 HydrophobicContact CD1-CB 4.08Å; L269-A338 HydrophobicContact CG-CB 4.24Å
270N96.9Very high97.4Very high48 Ų4834.9 Ų34.926%0.25718%0.179SC..  trans-131.5172.7171.965.340.2000111.4R258 Y272 H273R258-N270 VanDerWaalsContact CD-C 3.47Å; R258-N270 VanDerWaalsContact NH1-CA 3.3Å; N270-Y272 PolarHBondContact O-N 3.39Å; N270-Y272 WeakPolarHBondContact OD1-CA 3.33Å; N270-Y272 VanDerWaalsContact OD1-CB 3.25Å; N270-Y272 WeakPolarHBondContact OD1-CB 3.4Å; N270-Y272 PolarHBondContact OD1-N 2.95Å; N270-H273 PolarHBondContact N-ND1 2.95Å; N270-H273 PolarHBondContact O-N 3.36Å; N270-H273 PolarHBondContact OD1-N 3.26Å
271N97.9Very high97.5Very high8 Ų829.2 Ų29.24%0.04316%0.157CC..Hα-helixtrans-62-24.1178.5-81.6-19.6000113.6R23 V68 I69 K255 R258 M274 K275R23-N271 PolarHBondContact NH2-ND2 2.98Å; V68-N271 PolarHBondContact O-ND2 3.3Å; I69-N271 PolarHBondContact O-ND2 3.12Å; I69-N271 VanDerWaalsContact O-ND2 3.11Å; K255-N271 WeakPolarHBondContact CB-OD1 3.46Å; K255-N271 HydrophobicContact CD-CB 4.24Å; K255-N271 HydrophobicContact CG-CB 4.17Å; K255-N271 VanDerWaalsContact CG-OD1 3.3Å; K255-N271 WeakPolarHBondContact CG-OD1 3.34Å; R258-N271 PolarHBondContact NE-OD1 3.34Å; R258-N271 VanDerWaalsContact NH2-CG 3.27Å; R258-N271 PolarHBondContact NH2-ND2 3.05Å; R258-N271 PolarHBondContact NH2-OD1 3.18Å; N271-M274 PolarHBondContact O-N 3.36Å; N271-K275 PolarHBondContact O-N 3.29Å; N271-K275 VanDerWaalsContact O-N 3.17Å
272Y98.1Very high97.5Very high58 Ų5826.4 Ų26.423%0.22715%0.145CC..Hα-helixtrans-75.1-33.7-180-168.6-107.6000111.9E238 N270 M274 K275 T276 H318 L326E238-Y272 WeakPolarHBondContact OE1-CE2 3.39Å; E238-Y272 PolarHBondContact OE1-OH 3.34Å; E238-Y272 WeakPolarHBondContact OE2-CE2 3.41Å; N270-Y272 PolarHBondContact O-N 3.39Å; N270-Y272 WeakPolarHBondContact OD1-CA 3.33Å; N270-Y272 VanDerWaalsContact OD1-CB 3.25Å; N270-Y272 WeakPolarHBondContact OD1-CB 3.4Å; N270-Y272 PolarHBondContact OD1-N 2.95Å; Y272-M274 VanDerWaalsContact C-N 3.3Å; Y272-M274 PolarHBondContact O-N 3.48Å; Y272-K275 PolarHBondContact O-N 2.79Å; Y272-T276 WeakPolarHBondContact O-CB 3.45Å; Y272-T276 PolarHBondContact O-N 3.49Å; Y272-T276 PolarHBondContact O-OG1 3.32Å; Y272-H318 AromaticContact CE1-CD2 3.86Å; Y272-H318 AromaticContact CZ-NE2 3.92Å; Y272-H318 PolarHBondContact OH-CD2 3.45Å; Y272-H318 PolarHBondContact OH-CE1 3.31Å; Y272-H318 PolarHBondContact OH-NE2 2.77Å; Y272-L326 HydrophobicContact CD1-CD1 3.97Å; Y272-L326 HydrophobicContact CD1-CD2 4.13Å; Y272-L326 HydrophobicContact CE1-CD1 3.99Å; Y272-L326 HydrophobicContact CE1-CD2 3.9Å
273H98.5Very high97.5Very high1 Ų128 Ų281%0.00515%0.152CC..Hα-helixtrans-58.3-43.4168.4-56.6146.4000111.3P268 L269 N270 K275 T276 L277 L326 F327P268-H273 PolarHBondContact O-CE1 3.4Å; P268-H273 VanDerWaalsContact O-CE1 3.23Å; L269-H273 WeakPolarHBondContact CA-ND1 3.28Å; N270-H273 PolarHBondContact N-ND1 2.95Å; N270-H273 PolarHBondContact O-N 3.36Å; N270-H273 PolarHBondContact OD1-N 3.26Å; H273-K275 VanDerWaalsContact C-N 3.34Å; H273-K275 PolarHBondContact O-N 3.24Å; H273-T276 PolarHBondContact O-N 3.46Å; H273-L277 WeakPolarHBondContact O-CG 3.3Å; H273-L277 PolarHBondContact O-N 2.9Å; H273-L326 PolarHBondContact NE2-O 3.48Å; H273-F327 AromaticContact CE1-CD1 3.91Å; H273-F327 AromaticContact CE1-CE1 3.67Å; H273-F327 AromaticContact ND1-CE1 3.82Å; H273-F327 AromaticContact NE2-CD1 3.91Å; H273-F327 AromaticContact NE2-CE1 3.89Å
274M98.7Very high97.6Very high2 Ų229 Ų291%0.0116%0.155CC..Hα-helixtrans-63-40.6178.1-54.4-53.616900112L251 L254 R258 L262 L269 N271 Y272 L278 L307L251-M274 HydrophobicContact CD1-CB 4.07Å; L254-M274 HydrophobicContact CB-CB 3.96Å; L254-M274 HydrophobicContact CB-CG 4.11Å; L254-M274 HydrophobicContact CB-SD 4.28Å; L254-M274 HydrophobicContact CD2-SD 4.35Å; R258-M274 HydrophobicContact CB-CE 3.91Å; R258-M274 HydrophobicContact CG-CE 3.89Å; L262-M274 HydrophobicContact CD1-CE 4.15Å; L269-M274 HydrophobicContact CD1-CE 4.48Å; N271-M274 PolarHBondContact O-N 3.36Å; Y272-M274 VanDerWaalsContact C-N 3.3Å; Y272-M274 PolarHBondContact O-N 3.48Å; M274-L278 WeakPolarHBondContact O-CB 3.3Å; M274-L278 PolarHBondContact O-N 3.48Å; M274-L278 VanDerWaalsContact O-N 3.12Å; M274-L307 HydrophobicContact CE-CD2 3.7Å; M274-L307 HydrophobicContact SD-CD2 4Å
275K98.7Very high97.7Very high16 Ų1630.1 Ų30.17%0.0716%0.159CC..Hα-helixtrans-65.8-44.6177-163.5-177.1-172-166.30111.2G235 E238 N239 L242 L251 N271 Y272 H273 L278 L279G235-K275 PolarHBondContact O-NZ 3.05Å; E238-K275 HydrophobicContact CB-CD 4.47Å; E238-K275 VanDerWaalsContact CB-NZ 3.3Å; E238-K275 WeakPolarHBondContact OE2-CD 3.43Å; E238-K275 VanDerWaalsContact OE2-CE 3.25Å; E238-K275 WeakPolarHBondContact OE2-CE 3.25Å; E238-K275 IonicContact OE2-NZ 2.82Å; E238-K275 PolarHBondContact OE2-NZ 3.26Å; N239-K275 WeakPolarHBondContact OD1-CE 3.44Å; N239-K275 PolarHBondContact OD1-NZ 3.12Å; 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 3.29Å; N271-K275 VanDerWaalsContact O-N 3.17Å; Y272-K275 PolarHBondContact O-N 2.79Å; H273-K275 VanDerWaalsContact C-N 3.34Å; H273-K275 PolarHBondContact O-N 3.24Å; K275-L278 PolarHBondContact O-N 3.42Å; K275-L279 WeakPolarHBondContact O-CG 3.49Å; K275-L279 PolarHBondContact O-N 3.46Å; K275-L279 VanDerWaalsContact O-N 3.12Å
276T98.8Very high97.8Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-62.1-46.4178.5-63.40000111.7Y272 H273 L278 L279 Y280 P317 L326Y272-T276 WeakPolarHBondContact O-CB 3.45Å; Y272-T276 PolarHBondContact O-N 3.49Å; Y272-T276 PolarHBondContact O-OG1 3.32Å; H273-T276 PolarHBondContact O-N 3.46Å; T276-L278 VanDerWaalsContact C-N 3.33Å; T276-L278 PolarHBondContact O-N 3.41Å; T276-L279 WeakPolarHBondContact O-CB 3.28Å; T276-L279 PolarHBondContact O-N 2.77Å; T276-Y280 HydrophobicContact CG2-CD2 3.92Å; T276-Y280 HydrophobicContact CG2-CE2 3.68Å; T276-Y280 WeakPolarHBondContact O-CD2 3.45Å; T276-Y280 PolarHBondContact O-N 3.42Å; T276-Y280 VanDerWaalsContact O-N 3.11Å; T276-P317 WeakPolarHBondContact CG2-O 3.45Å; T276-L326 HydrophobicContact CG2-CD1 3.85Å; T276-L326 WeakPolarHBondContact OG1-CD1 3.29Å
277L98.8Very high98.1Very high2 Ų231.5 Ų31.51%0.0114%0.14CC..Hα-helixtrans-67.7-33.1178.9-67.8-178.9000112.9H273 L279 Y280 E281 I303 Q306 L307H273-L277 WeakPolarHBondContact O-CG 3.3Å; H273-L277 PolarHBondContact O-N 2.9Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-Y280 PolarHBondContact O-N 3.06Å; L277-E281 WeakPolarHBondContact O-CB 3.3Å; L277-E281 PolarHBondContact O-N 3.15Å; L277-I303 HydrophobicContact CB-CG2 3.87Å; L277-Q306 HydrophobicContact CD2-CG 3.86Å; L277-L307 HydrophobicContact CD1-CB 3.5Å; L277-L307 VanDerWaalsContact CD1-CB 3.5Å; L277-L307 HydrophobicContact CD1-CD1 3.6Å; L277-L307 HydrophobicContact CD1-CG 4.1Å
278L98.8Very high98.2Very high0 Ų031.5 Ų31.50%014%0.14CC..Hα-helixtrans-62.5-39.7171.8175.563.4000111.9L242 R247 L251 M274 K275 T276 E281 C282 W291 I303L242-L278 HydrophobicContact CD1-CD2 4.08Å; L242-L278 HydrophobicContact CD2-CD2 3.68Å; L242-L278 HydrophobicContact CD2-CG 3.67Å; L242-L278 HydrophobicContact CG-CD2 4.47Å; R247-L278 HydrophobicContact CB-CD2 4.48Å; R247-L278 WeakPolarHBondContact O-CD2 3.44Å; L251-L278 HydrophobicContact CB-CD2 3.66Å; L251-L278 HydrophobicContact CD1-CD2 4.26Å; L251-L278 HydrophobicContact CD2-CD2 4.35Å; L251-L278 HydrophobicContact CG-CD2 4.29Å; M274-L278 WeakPolarHBondContact O-CB 3.3Å; M274-L278 PolarHBondContact O-N 3.48Å; M274-L278 VanDerWaalsContact O-N 3.12Å; K275-L278 PolarHBondContact O-N 3.42Å; T276-L278 VanDerWaalsContact C-N 3.33Å; T276-L278 PolarHBondContact O-N 3.41Å; L278-E281 PolarHBondContact O-N 3.45Å; L278-C282 PolarHBondContact O-N 3.37Å; L278-C282 VanDerWaalsContact O-N 3.07Å; L278-C282 PolarHBondContact O-SG 3.46Å; L278-W291 HydrophobicContact CD1-CH2 3.39Å; L278-W291 HydrophobicContact CD1-CZ2 4.5Å; L278-W291 HydrophobicContact CD1-CZ3 3.4Å; L278-I303 HydrophobicContact CB-CD1 4.16Å; L278-I303 HydrophobicContact CD1-CD1 3.61Å; L278-I303 HydrophobicContact CG-CD1 4.5Å
279L98.8Very high98.2Very high0 Ų035.4 Ų35.40%016%0.164CC..Hα-helixtrans-62.8-47.6175.8-70.8165.5000111.5W194 E238 L241 L242 K275 T276 L277 E281 C282 E283 Y319W194-L279 HydrophobicContact CH2-CD2 4.37Å; E238-L279 HydrophobicContact CB-CD1 4.44Å; E238-L279 HydrophobicContact CG-CD1 4.11Å; L241-L279 HydrophobicContact CB-CD2 4.23Å; L241-L279 HydrophobicContact CD2-CD2 3.55Å; L241-L279 HydrophobicContact CG-CD2 3.73Å; L242-L279 HydrophobicContact CD1-CD2 4.41Å; L242-L279 HydrophobicContact CD2-CD2 3.55Å; L242-L279 HydrophobicContact CD2-CG 4.01Å; L242-L279 HydrophobicContact CG-CD2 3.75Å; L242-L279 HydrophobicContact CG-CG 4.32Å; K275-L279 WeakPolarHBondContact O-CG 3.49Å; K275-L279 PolarHBondContact O-N 3.46Å; K275-L279 VanDerWaalsContact O-N 3.12Å; T276-L279 WeakPolarHBondContact O-CB 3.28Å; T276-L279 PolarHBondContact O-N 2.77Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L279-E281 VanDerWaalsContact C-N 3.29Å; L279-E281 PolarHBondContact O-N 2.68Å; L279-C282 WeakPolarHBondContact O-CB 3.4Å; L279-C282 PolarHBondContact O-N 3.05Å; L279-C282 VanDerWaalsContact O-N 3.12Å; L279-E283 PolarHBondContact O-N 2.87Å; L279-Y319 HydrophobicContact CB-CD1 4.07Å; L279-Y319 HydrophobicContact CB-CD2 3.5Å; L279-Y319 HydrophobicContact CB-CE1 4.25Å; L279-Y319 HydrophobicContact CB-CE2 3.7Å; L279-Y319 HydrophobicContact CB-CG 3.69Å; L279-Y319 HydrophobicContact CD1-CD1 3.77Å; L279-Y319 HydrophobicContact CD1-CE1 4.41Å; L279-Y319 HydrophobicContact CD1-CG 3.81Å; L279-Y319 HydrophobicContact CD2-CD1 4.47Å; L279-Y319 HydrophobicContact CD2-CE1 4.32Å; L279-Y319 HydrophobicContact CG-CD1 4.34Å; L279-Y319 HydrophobicContact CG-CG 4.31Å
280Y98.6Very high98.2Very high45 Ų4536.3 Ų36.318%0.17617%0.169CC..Hα-helixtrans-63.2-34.2174-77.3-65.8000113.1T276 L277 C282 E283 K284 P317 H318 Y319T276-Y280 HydrophobicContact CG2-CD2 3.92Å; T276-Y280 HydrophobicContact CG2-CE2 3.68Å; T276-Y280 WeakPolarHBondContact O-CD2 3.45Å; T276-Y280 PolarHBondContact O-N 3.42Å; T276-Y280 VanDerWaalsContact O-N 3.11Å; L277-Y280 PolarHBondContact O-N 3.06Å; Y280-C282 PolarHBondContact O-N 2.89Å; Y280-E283 PolarHBondContact O-N 3.46Å; Y280-K284 PolarHBondContact O-N 3.29Å; Y280-P317 HydrophobicContact CE2-CG 4.24Å; Y280-P317 VanDerWaalsContact CE2-O 3.31Å; Y280-P317 WeakPolarHBondContact CE2-O 3.45Å; Y280-P317 PolarHBondContact OH-O 3.17Å; Y280-H318 PolarHBondContact OH-O 3.2Å; Y280-Y319 HydrophobicContact CD1-CD2 4.06Å; Y280-Y319 HydrophobicContact CD1-CE2 4.34Å; Y280-Y319 HydrophobicContact CD2-CD2 4.23Å; Y280-Y319 HydrophobicContact CE1-CD2 4.02Å; Y280-Y319 HydrophobicContact CE2-CD2 4.18Å; Y280-Y319 HydrophobicContact CG-CD2 4.17Å
281E98.7Very high98.3Very high5 Ų534 Ų342%0.02316%0.156CC..Hα-helixtrans-66.1-30.9176-164.169.3-17300111.6L277 L278 L279 K284 H285 W291 R299 I303L277-E281 WeakPolarHBondContact O-CB 3.3Å; L277-E281 PolarHBondContact O-N 3.15Å; L278-E281 PolarHBondContact O-N 3.45Å; L279-E281 VanDerWaalsContact C-N 3.29Å; L279-E281 PolarHBondContact O-N 2.68Å; E281-K284 PolarHBondContact O-N 2.89Å; E281-K284 IonicContact OE2-NZ 3.92Å; E281-H285 PolarHBondContact O-N 2.83Å; E281-H285 PolarHBondContact O-ND1 3.43Å; E281-H285 IonicContact OE1-CE1 2.82Å; E281-H285 PolarHBondContact OE1-CE1 2.74Å; E281-H285 IonicContact OE1-ND1 3.18Å; E281-H285 PolarHBondContact OE1-ND1 2.66Å; E281-W291 HydrophobicContact CB-CH2 4.06Å; E281-W291 HydrophobicContact CB-CZ2 4.26Å; E281-W291 HydrophobicContact CG-CH2 3.96Å; E281-W291 HydrophobicContact CG-CZ2 4.16Å; E281-R299 IonicContact OE1-CZ 3.13Å; E281-R299 IonicContact OE1-NH1 2.71Å; E281-R299 PolarHBondContact OE1-NH1 3.1Å; E281-I303 HydrophobicContact CB-CD1 4.14Å; E281-I303 HydrophobicContact CB-CG1 3.66Å; E281-I303 HydrophobicContact CG-CD1 4.25Å; E281-I303 HydrophobicContact CG-CG1 3.72Å
282C98.6Very high98.3Very high0 Ų037.2 Ų37.20%017%0.173CC..Hα-helixtrans-67.2-38.4173.6-64.10000112W194 R247 L278 L279 Y280 K284 H285 P286 W291W194-C282 HydrophobicContact CD2-CB 3.88Å; W194-C282 HydrophobicContact CE3-CB 3.78Å; W194-C282 HydrophobicContact CH2-CB 3.28Å; W194-C282 HydrophobicContact CZ2-CB 3.44Å; W194-C282 VanDerWaalsContact CZ2-CB 3.44Å; W194-C282 HydrophobicContact CZ3-CB 3.46Å; W194-C282 VanDerWaalsContact CZ3-CB 3.46Å; R247-C282 PolarHBondContact NE-SG 2.79Å; L278-C282 PolarHBondContact O-N 3.37Å; L278-C282 VanDerWaalsContact O-N 3.07Å; L278-C282 PolarHBondContact O-SG 3.46Å; L279-C282 WeakPolarHBondContact O-CB 3.4Å; L279-C282 PolarHBondContact O-N 3.05Å; L279-C282 VanDerWaalsContact O-N 3.12Å; Y280-C282 PolarHBondContact O-N 2.89Å; C282-K284 VanDerWaalsContact C-N 3.33Å; C282-K284 PolarHBondContact O-N 3.48Å; C282-H285 CarbonylContact O-C 3.59Å; C282-H285 PolarHBondContact O-N 3.34Å; C282-H285 VanDerWaalsContact O-O 3.06Å; C282-P286 WeakPolarHBondContact O-CA 3.43Å; C282-W291 HydrophobicContact CB-CZ2 4.05Å; C282-W291 WeakPolarHBondContact SG-CZ2 3.18Å
283E98.1Very high98.3Very high34 Ų3438.6 Ų38.616%0.15918%0.182CC..Hα-helixtrans-63.7-39.1174.1-68.1-168.5152.700112.2I192 W194 L279 Y280 H285 Y319I192-E283 HydrophobicContact CD1-CB 4.1Å; I192-E283 HydrophobicContact CD1-CG 4.07Å; I192-E283 WeakPolarHBondContact CD1-OE2 3.49Å; I192-E283 HydrophobicContact CG2-CB 3.81Å; I192-E283 HydrophobicContact CG2-CG 3.93Å; W194-E283 HydrophobicContact CE3-CG 4.04Å; W194-E283 HydrophobicContact CZ3-CG 4.24Å; L279-E283 PolarHBondContact O-N 2.87Å; Y280-E283 PolarHBondContact O-N 3.46Å; E283-H285 VanDerWaalsContact C-N 3.31Å; E283-H285 PolarHBondContact O-N 3.39Å; E283-Y319 HydrophobicContact CG-CE2 4.02Å; E283-Y319 PolarHBondContact OE1-OH 2.97Å
284K98Very high98.2Very high102 Ų10241.9 Ų41.944%0.44321%0.205SC..Hα-helixtrans-69.4-27.7176.2-66.7176.7-171.8171.20113.5Y280 E281 C282 P286Y280-K284 PolarHBondContact O-N 3.29Å; E281-K284 PolarHBondContact O-N 2.89Å; E281-K284 IonicContact OE2-NZ 3.92Å; C282-K284 VanDerWaalsContact C-N 3.33Å; C282-K284 PolarHBondContact O-N 3.48Å; K284-P286 VanDerWaalsContact C-CD 3.49Å; K284-P286 WeakPolarHBondContact O-CD 3.17Å
285H98.4Very high98.1Very high48 Ų4842.9 Ų42.922%0.22221%0.212CC..SBendtrans-128.473.1-176.5-60.586.3000109.1E281 C282 E283 R287 D290 W291 R299E281-H285 PolarHBondContact O-N 2.83Å; E281-H285 PolarHBondContact O-ND1 3.43Å; E281-H285 IonicContact OE1-CE1 2.82Å; E281-H285 PolarHBondContact OE1-CE1 2.74Å; E281-H285 IonicContact OE1-ND1 3.18Å; E281-H285 PolarHBondContact OE1-ND1 2.66Å; C282-H285 CarbonylContact O-C 3.59Å; C282-H285 PolarHBondContact O-N 3.34Å; C282-H285 VanDerWaalsContact O-O 3.06Å; E283-H285 VanDerWaalsContact C-N 3.31Å; E283-H285 PolarHBondContact O-N 3.39Å; H285-R287 VanDerWaalsContact C-N 3.34Å; H285-R287 PolarHBondContact O-N 3.28Å; H285-D290 HydrophobicContact CB-CB 3.77Å; H285-W291 PolarHBondContact O-NE1 2.96Å; H285-R299 PolarHBondContact CD2-NH1 3.15Å; H285-R299 PolarHBondContact CD2-NH2 3.4Å; H285-R299 PolarHBondContact CE1-NH1 3.41Å; H285-R299 VanDerWaalsContact CG-CZ 3.48Å; H285-R299 PolarHBondContact ND1-NH1 3.24Å; H285-R299 PolarHBondContact NE2-NH1 3.03Å; H285-R299 PolarHBondContact NE2-NH2 2.98Å
286P97.8Very high98.1Very high33 Ų3342.2 Ų42.221%0.21421%0.209CC..  trans-77.4-15.1-162.329.3-36.8000114.5P193 W194 C282 K284P193-P286 HydrophobicContact CG-CB 3.74Å; P193-P286 HydrophobicContact CG-CG 3.67Å; W194-P286 HydrophobicContact CB-CB 3.44Å; W194-P286 VanDerWaalsContact CB-CB 3.44Å; W194-P286 VanDerWaalsContact CD1-O 3.27Å; W194-P286 HydrophobicContact CG-CB 4.39Å; C282-P286 WeakPolarHBondContact O-CA 3.43Å; K284-P286 VanDerWaalsContact C-CD 3.49Å; K284-P286 WeakPolarHBondContact O-CD 3.17Å
287R97.5Very high98Very high158 Ų15842.2 Ų42.260%0.59621%0.209SC*.SBendtrans-84.5143.7-175.5-54.2171.2-65.8-1773.7109.6H285 T289 D290H285-R287 VanDerWaalsContact C-N 3.34Å; H285-R287 PolarHBondContact O-N 3.28Å; R287-T289 PolarHBondContact O-N 2.84Å; R287-D290 VanDerWaalsContact CB-OD2 3.3Å; R287-D290 WeakPolarHBondContact CB-OD2 3.37Å; R287-D290 IonicContact CZ-OD1 2.79Å; R287-D290 IonicContact CZ-OD2 3.25Å; R287-D290 PolarHBondContact N-OD2 3.23Å; R287-D290 IonicContact NE-OD1 3.62Å; R287-D290 PolarHBondContact NE-OD1 2.8Å; R287-D290 IonicContact NE-OD2 3.98Å; R287-D290 PolarHBondContact NE-OD2 3.43Å; R287-D290 IonicContact NH2-OD1 3.5Å; R287-D290 PolarHBondContact NH2-OD1 2.97Å; R287-D290 IonicContact NH2-OD2 2.69Å; R287-D290 WeakPolarHBondContact O-CB 3.44Å; R287-D290 PolarHBondContact O-N 3.21Å
288E97.3Very high98Very high100 Ų10045 Ų4547%0.46722%0.224SC..G310 helixtrans-59.2-33.7176.6-69.7-55.3118.600112.4R247 D290 W291R247-E288 IonicContact CZ-OE1 3.56Å; R247-E288 IonicContact CZ-OE2 3.66Å; R247-E288 IonicContact NH1-OE1 3.43Å; R247-E288 PolarHBondContact NH1-OE1 3.42Å; R247-E288 IonicContact NH1-OE2 2.84Å; R247-E288 PolarHBondContact NH1-OE2 3.29Å; R247-E288 IonicContact NH2-OE1 2.8Å; R247-E288 PolarHBondContact NH2-OE1 3.25Å; R247-E288 IonicContact NH2-OE2 3.54Å; E288-D290 PolarHBondContact O-N 3.22Å; E288-W291 CarbonylContact O-C 3.5Å; E288-W291 WeakPolarHBondContact O-CA 3.44Å; E288-W291 PolarHBondContact O-N 3.03Å
289T97.8Very high98Very high82 Ų8246 Ų4650%0.50323%0.228SC..G310 helixtrans-65-23175.852.60000113.6R287 W291 D292R287-T289 PolarHBondContact O-N 2.84Å; T289-W291 PolarHBondContact O-N 2.95Å; T289-D292 PolarHBondContact O-N 3.4Å
290D98.2Very high98Very high21 Ų2146.2 Ų46.211%0.11223%0.229CC..G310 helixtrans-71.5-10.7173.8-59.8-46.6000112H285 R287 E288 C295 R299H285-D290 HydrophobicContact CB-CB 3.77Å; R287-D290 VanDerWaalsContact CB-OD2 3.3Å; R287-D290 WeakPolarHBondContact CB-OD2 3.37Å; R287-D290 IonicContact CZ-OD1 2.79Å; R287-D290 IonicContact CZ-OD2 3.25Å; R287-D290 PolarHBondContact N-OD2 3.23Å; R287-D290 IonicContact NE-OD1 3.62Å; R287-D290 PolarHBondContact NE-OD1 2.8Å; R287-D290 IonicContact NE-OD2 3.98Å; R287-D290 PolarHBondContact NE-OD2 3.43Å; R287-D290 IonicContact NH2-OD1 3.5Å; R287-D290 PolarHBondContact NH2-OD1 2.97Å; R287-D290 IonicContact NH2-OD2 2.69Å; R287-D290 WeakPolarHBondContact O-CB 3.44Å; R287-D290 PolarHBondContact O-N 3.21Å; E288-D290 PolarHBondContact O-N 3.22Å; D290-C295 WeakPolarHBondContact O-CB 3.11Å; D290-R299 WeakPolarHBondContact O-CD 3.3Å; D290-R299 PolarHBondContact O-NE 2.97Å
291W98.4Very high97.9Very high0 Ų045.9 Ų45.90%023%0.23CC..G310 helixtrans-114.614.6178.4-64.290.8000112.9G245 C246 R247 L278 E281 C282 H285 E288 T289 R299G245-W291 CarbonylContact C-O 3.6Å; G245-W291 WeakPolarHBondContact CA-O 3.47Å; C246-W291 PolarHBondContact N-O 3.36Å; C246-W291 PolarHBondContact SG-O 2.87Å; R247-W291 HydrophobicContact CB-CE3 4.23Å; R247-W291 HydrophobicContact CG-CB 4.36Å; R247-W291 HydrophobicContact CG-CD2 3.5Å; R247-W291 HydrophobicContact CG-CE3 3.3Å; 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 3.39Å; L278-W291 HydrophobicContact CD1-CZ2 4.5Å; L278-W291 HydrophobicContact CD1-CZ3 3.4Å; E281-W291 HydrophobicContact CB-CH2 4.06Å; E281-W291 HydrophobicContact CB-CZ2 4.26Å; E281-W291 HydrophobicContact CG-CH2 3.96Å; E281-W291 HydrophobicContact CG-CZ2 4.16Å; C282-W291 HydrophobicContact CB-CZ2 4.05Å; C282-W291 WeakPolarHBondContact SG-CZ2 3.18Å; H285-W291 PolarHBondContact O-NE1 2.96Å; E288-W291 CarbonylContact O-C 3.5Å; E288-W291 WeakPolarHBondContact O-CA 3.44Å; E288-W291 PolarHBondContact O-N 3.03Å; T289-W291 PolarHBondContact O-N 2.95Å; W291-R299 HydrophobicContact CD2-CG 4.23Å; W291-R299 HydrophobicContact CE3-CB 4.3Å; W291-R299 HydrophobicContact CE3-CG 3.68Å; W291-R299 HydrophobicContact CH2-CB 4.13Å; W291-R299 HydrophobicContact CH2-CG 4.01Å; W291-R299 HydrophobicContact CZ2-CG 4.49Å; W291-R299 HydrophobicContact CZ3-CB 3.73Å; W291-R299 HydrophobicContact CZ3-CG 3.59Å
292D97.9Very high97.9Very high74 Ų7446.5 Ų46.540%0.39624%0.238SC..SBendtrans-60.4161.9170.7-74.2-17.6000111C246 T289 S294 C295C246-D292 PolarHBondContact SG-O 3.02Å; T289-D292 PolarHBondContact O-N 3.4Å; D292-S294 PolarHBondContact O-N 2.9Å; D292-C295 WeakPolarHBondContact O-CB 3.42Å; D292-C295 PolarHBondContact O-N 3.44Å
293E97.3Very high97.9Very high88 Ų8846.5 Ų46.541%0.41124%0.238SC..G310 helixtrans-60.7-28.8-178.4-72.4-66.917400113.2K249 C295K249-E293 IonicContact NZ-OE1 2.99Å; K249-E293 PolarHBondContact NZ-OE1 3.27Å; K249-E293 IonicContact NZ-OE2 2.67Å; K249-E293 PolarHBondContact NZ-OE2 2.81Å; E293-C295 VanDerWaalsContact C-N 3.28Å; E293-C295 PolarHBondContact O-N 3.4Å
294S96.7Very high97.9Very high70 Ų7045.1 Ų45.149%0.4923%0.231SC..G310 helixtrans-68.9-23.7174.152.70000113.2V9 D292V9-S294 VanDerWaalsContact CG2-O 3.29Å; V9-S294 WeakPolarHBondContact CG2-O 3.17Å; D292-S294 PolarHBondContact O-N 2.9Å
295C97.8Very high97.9Very high23 Ų2343.8 Ų43.816%0.15523%0.229CC..G310 helixtrans-88.1-5.6-178.4-65.30000113.3D290 D292 E293 G297 D298 R299D290-C295 WeakPolarHBondContact O-CB 3.11Å; D292-C295 WeakPolarHBondContact O-CB 3.42Å; D292-C295 PolarHBondContact O-N 3.44Å; E293-C295 VanDerWaalsContact C-N 3.28Å; E293-C295 PolarHBondContact O-N 3.4Å; C295-G297 PolarHBondContact O-N 3.01Å; C295-G297 VanDerWaalsContact O-N 3.12Å; C295-D298 PolarHBondContact O-N 2.8Å; C295-R299 HydrophobicContact CB-CG 4.33Å; C295-R299 WeakPolarHBondContact O-CG 3.47Å; C295-R299 PolarHBondContact O-N 2.95Å
296L98.2Very high97.9Very high1 Ų143.8 Ų43.81%0.00523%0.229CC..Hα-helixtrans-50.7-41.8-176.4177.562.8000113L12 C246 K249 C250 L300L12-L296 HydrophobicContact CB-CD2 3.91Å; L12-L296 HydrophobicContact CB-CG 4.43Å; L12-L296 HydrophobicContact CD1-CG 4.22Å; C246-L296 HydrophobicContact CB-CB 4.48Å; C246-L296 HydrophobicContact CB-CD1 4.26Å; K249-L296 HydrophobicContact CD-CD2 3.78Å; K249-L296 HydrophobicContact CG-CD2 4.39Å; C250-L296 HydrophobicContact CB-CD1 3.82Å; L296-L300 WeakPolarHBondContact O-CB 3.38Å; L296-L300 PolarHBondContact O-N 3.05Å
297G97.4Very high98Very high0 Ų042.2 Ų42.20%022%0.219CC..Hα-helixtrans-63.6-44.817800000113.1C295 N301C295-G297 PolarHBondContact O-N 3.01Å; C295-G297 VanDerWaalsContact O-N 3.12Å; G297-N301 WeakPolarHBondContact O-CB 3.48Å; G297-N301 PolarHBondContact O-N 2.73Å
298D97.6Very high98.1Very high61 Ų6135.2 Ų35.233%0.32619%0.193SC..Hα-helixtrans-68.9-43-179.5-57.1-40.2000111.2Q5 C295 N301 G302Q5-D298 PolarHBondContact NE2-OD2 3.04Å; C295-D298 PolarHBondContact O-N 2.8Å; D298-N301 PolarHBondContact O-N 3.37Å; D298-G302 PolarHBondContact O-N 2.72Å
299R98.5Very high98.1Very high22 Ų2232.7 Ų32.78%0.08319%0.186CC..Hα-helixtrans-61.8-46.5177.4-60.9-55.895.4-126.73.6111.5E281 H285 D290 W291 C295 N301 G302 I303E281-R299 IonicContact OE1-CZ 3.13Å; E281-R299 IonicContact OE1-NH1 2.71Å; E281-R299 PolarHBondContact OE1-NH1 3.1Å; H285-R299 PolarHBondContact CD2-NH1 3.15Å; H285-R299 PolarHBondContact CD2-NH2 3.4Å; H285-R299 PolarHBondContact CE1-NH1 3.41Å; H285-R299 VanDerWaalsContact CG-CZ 3.48Å; H285-R299 PolarHBondContact ND1-NH1 3.24Å; H285-R299 PolarHBondContact NE2-NH1 3.03Å; H285-R299 PolarHBondContact NE2-NH2 2.98Å; D290-R299 WeakPolarHBondContact O-CD 3.3Å; D290-R299 PolarHBondContact O-NE 2.97Å; W291-R299 HydrophobicContact CD2-CG 4.23Å; W291-R299 HydrophobicContact CE3-CB 4.3Å; W291-R299 HydrophobicContact CE3-CG 3.68Å; W291-R299 HydrophobicContact CH2-CB 4.13Å; W291-R299 HydrophobicContact CH2-CG 4.01Å; W291-R299 HydrophobicContact CZ2-CG 4.49Å; W291-R299 HydrophobicContact CZ3-CB 3.73Å; W291-R299 HydrophobicContact CZ3-CG 3.59Å; C295-R299 HydrophobicContact CB-CG 4.33Å; C295-R299 WeakPolarHBondContact O-CG 3.47Å; C295-R299 PolarHBondContact O-N 2.95Å; R299-N301 PolarHBondContact O-N 3.2Å; R299-G302 PolarHBondContact O-N 3.01Å; R299-I303 WeakPolarHBondContact O-CD1 3.44Å; R299-I303 VanDerWaalsContact O-CG1 3.29Å; R299-I303 WeakPolarHBondContact O-CG1 3.35Å; R299-I303 PolarHBondContact O-N 3.36Å
300L98.4Very high98.2Very high3 Ų329.3 Ų29.32%0.01617%0.166CC..Hα-helixtrans-61.6-45.4177.6-176.672.8000111.3L12 V253 L254 L296 I303 L304L12-L300 HydrophobicContact CD1-CB 4.47Å; L12-L300 HydrophobicContact CD1-CD2 3.8Å; L12-L300 HydrophobicContact CD2-CD2 3.33Å; L12-L300 HydrophobicContact CG-CD2 4.22Å; V253-L300 HydrophobicContact CB-CD1 4.41Å; V253-L300 HydrophobicContact CG1-CD1 3.95Å; V253-L300 HydrophobicContact CG1-CD2 3.91Å; L254-L300 HydrophobicContact CD1-CD1 4.5Å; L254-L300 HydrophobicContact CD2-CD1 3.54Å; L254-L300 HydrophobicContact CG-CD1 3.63Å; L296-L300 WeakPolarHBondContact O-CB 3.38Å; L296-L300 PolarHBondContact O-N 3.05Å; L300-I303 PolarHBondContact O-N 3.06Å; L300-L304 HydrophobicContact CG-CD1 4.22Å; L300-L304 WeakPolarHBondContact O-CG 3.47Å; L300-L304 PolarHBondContact O-N 3.44Å
301N97.3Very high98.2Very high39 Ų3928.3 Ų28.321%0.20916%0.161CC..Hα-helixtrans-62.4-45.6178.8-174.651.6000111.7G297 D298 R299 I303 L304 L305G297-N301 WeakPolarHBondContact O-CB 3.48Å; G297-N301 PolarHBondContact O-N 2.73Å; D298-N301 PolarHBondContact O-N 3.37Å; R299-N301 PolarHBondContact O-N 3.2Å; N301-I303 VanDerWaalsContact C-N 3.32Å; N301-I303 PolarHBondContact O-N 2.88Å; N301-L304 PolarHBondContact O-N 3.5Å; N301-L305 WeakPolarHBondContact O-CG 3.41Å; N301-L305 PolarHBondContact O-N 3.49Å
302G98.3Very high98.2Very high18 Ų1834 Ų3419%0.18619%0.187CC..Hα-helixtrans-56.3-44.9175.600000112.5D298 R299 L305 Q306D298-G302 PolarHBondContact O-N 2.72Å; R299-G302 PolarHBondContact O-N 3.01Å; G302-L305 PolarHBondContact O-N 3.2Å; G302-Q306 WeakPolarHBondContact O-CB 3.41Å; G302-Q306 PolarHBondContact O-N 3.48Å
303I98.8Very high98.2Very high0 Ų034.9 Ų34.90%020%0.198CC..Hα-helixtrans-66.4-42.8178.2-66.3162.5000111.8L254 L277 L278 E281 R299 L300 N301 Q306 L307L254-I303 HydrophobicContact CD1-CB 4.29Å; L254-I303 HydrophobicContact CD1-CD1 3.85Å; L254-I303 HydrophobicContact CD1-CG2 3.62Å; L254-I303 HydrophobicContact CD2-CB 4.48Å; L254-I303 HydrophobicContact CD2-CG2 3.84Å; L254-I303 HydrophobicContact CG-CG2 4.4Å; L277-I303 HydrophobicContact CB-CG2 3.87Å; L278-I303 HydrophobicContact CB-CD1 4.16Å; L278-I303 HydrophobicContact CD1-CD1 3.61Å; L278-I303 HydrophobicContact CG-CD1 4.5Å; E281-I303 HydrophobicContact CB-CD1 4.14Å; E281-I303 HydrophobicContact CB-CG1 3.66Å; E281-I303 HydrophobicContact CG-CD1 4.25Å; E281-I303 HydrophobicContact CG-CG1 3.72Å; R299-I303 WeakPolarHBondContact O-CD1 3.44Å; R299-I303 VanDerWaalsContact O-CG1 3.29Å; R299-I303 WeakPolarHBondContact O-CG1 3.35Å; R299-I303 PolarHBondContact O-N 3.36Å; L300-I303 PolarHBondContact O-N 3.06Å; N301-I303 VanDerWaalsContact C-N 3.32Å; N301-I303 PolarHBondContact O-N 2.88Å; I303-Q306 PolarHBondContact O-N 2.95Å; I303-L307 WeakPolarHBondContact O-CB 3.34Å; I303-L307 PolarHBondContact O-N 3.47Å
304L98.7Very high98.2Very high5 Ų536.4 Ų36.43%0.02620%0.2CC..Hα-helixtrans-64.7-42.6178.3-71.9176000111.8L254 L300 N301 L307 I308 T342 A346 I349L254-L304 HydrophobicContact CD2-CD2 3.93Å; L254-L304 HydrophobicContact CD2-CG 4.3Å; L300-L304 HydrophobicContact CG-CD1 4.22Å; L300-L304 WeakPolarHBondContact O-CG 3.47Å; L300-L304 PolarHBondContact O-N 3.44Å; N301-L304 PolarHBondContact O-N 3.5Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 2.87Å; L304-I308 VanDerWaalsContact O-CD1 3.27Å; L304-I308 WeakPolarHBondContact O-CD1 3.36Å; L304-I308 WeakPolarHBondContact O-CG1 3.28Å; L304-I308 PolarHBondContact O-N 3.12Å; L304-T342 HydrophobicContact CD2-CG2 4.3Å; 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 high73 Ų7340.3 Ų40.338%0.38220%0.204SC..Hα-helixtrans-64.1-40.6175-67.7176.6000111.6N301 G302 L307 I308 S309 W343N301-L305 WeakPolarHBondContact O-CG 3.41Å; N301-L305 PolarHBondContact O-N 3.49Å; G302-L305 PolarHBondContact O-N 3.2Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.21Å; L305-I308 HydrophobicContact CD2-CD1 4.29Å; L305-I308 PolarHBondContact O-N 3.46Å; L305-S309 PolarHBondContact O-N 3.44Å; L305-W343 HydrophobicContact CD2-CZ3 4.15Å
306Q98.7Very high98.3Very high49 Ų4939.2 Ų39.223%0.22920%0.197CC..Hα-helixtrans-64.2-37.8174.2-174.658.461.300111.9L277 G302 I303 S309 C310L277-Q306 HydrophobicContact CD2-CG 3.86Å; G302-Q306 WeakPolarHBondContact O-CB 3.41Å; G302-Q306 PolarHBondContact O-N 3.48Å; I303-Q306 PolarHBondContact O-N 2.95Å; Q306-S309 PolarHBondContact O-N 3.41Å; Q306-C310 PolarHBondContact NE2-SG 3.37Å; Q306-C310 PolarHBondContact O-N 3.43Å; Q306-C310 PolarHBondContact O-SG 3.25Å
307L98.8Very high98.2Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-61.2-45175.2178.758.3000111.4L262 L269 M274 L277 I303 L304 L305 S309 C310 L311 T342L262-L307 HydrophobicContact CD1-CD2 4.49Å; L269-L307 HydrophobicContact CD1-CD2 4.17Å; L269-L307 HydrophobicContact CD2-CD1 3.68Å; M274-L307 HydrophobicContact CE-CD2 3.7Å; M274-L307 HydrophobicContact SD-CD2 4Å; L277-L307 HydrophobicContact CD1-CB 3.5Å; L277-L307 VanDerWaalsContact CD1-CB 3.5Å; L277-L307 HydrophobicContact CD1-CD1 3.6Å; L277-L307 HydrophobicContact CD1-CG 4.1Å; I303-L307 WeakPolarHBondContact O-CB 3.34Å; I303-L307 PolarHBondContact O-N 3.47Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 2.87Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.21Å; L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 3.16Å; L307-C310 PolarHBondContact O-N 2.95Å; L307-L311 HydrophobicContact CD1-CD1 4.06Å; L307-L311 HydrophobicContact CD1-CG 4.28Å; L307-L311 HydrophobicContact CG-CD1 3.94Å; L307-L311 WeakPolarHBondContact O-CB 3.34Å; L307-L311 WeakPolarHBondContact O-CD1 3.32Å; L307-L311 VanDerWaalsContact O-CG 3.26Å; L307-L311 WeakPolarHBondContact O-CG 3.42Å; L307-L311 PolarHBondContact O-N 3.27Å; L307-T342 HydrophobicContact CB-CG2 4.39Å; L307-T342 HydrophobicContact CD2-CG2 3.72Å; L307-T342 HydrophobicContact CG-CG2 4.06Å
308I98.7Very high98.3Very high10 Ų1041 Ų415%0.05121%0.208CC..Hα-helixtrans-60.2-46.1176.1-65.7150.6000110.4L304 L305 L311 Q312 T342 W343 A346L304-I308 VanDerWaalsContact O-CD1 3.27Å; L304-I308 WeakPolarHBondContact O-CD1 3.36Å; L304-I308 WeakPolarHBondContact O-CG1 3.28Å; L304-I308 PolarHBondContact O-N 3.12Å; L305-I308 HydrophobicContact CD2-CD1 4.29Å; L305-I308 PolarHBondContact O-N 3.46Å; I308-L311 PolarHBondContact O-N 3.05Å; I308-Q312 HydrophobicContact CG2-CG 4.47Å; I308-Q312 WeakPolarHBondContact O-CG 3.29Å; I308-Q312 PolarHBondContact O-N 3.03Å; I308-T342 HydrophobicContact CD1-CG2 4.08Å; I308-T342 HydrophobicContact CG1-CG2 3.6Å; I308-W343 HydrophobicContact CD1-CB 4.23Å; I308-W343 HydrophobicContact CD1-CE3 3.99Å; I308-W343 HydrophobicContact CG1-CB 4.46Å; I308-A346 HydrophobicContact CD1-CB 4.17Å
309S98.6Very high98.3Very high48 Ų4838.5 Ų38.534%0.33619%0.194SC..Hα-helixtrans-58.9-48.2175.9173.90000111.9L305 Q306 L307 L311 Q312 C313L305-S309 PolarHBondContact O-N 3.44Å; Q306-S309 PolarHBondContact O-N 3.41Å; L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 3.16Å; S309-L311 VanDerWaalsContact C-N 3.32Å; S309-L311 PolarHBondContact O-N 3.14Å; S309-Q312 PolarHBondContact O-N 2.67Å; S309-C313 VanDerWaalsContact O-CB 3.32Å; S309-C313 WeakPolarHBondContact O-CB 3.13Å; S309-C313 PolarHBondContact O-N 2.93Å; S309-C313 PolarHBondContact O-SG 3.22Å; S309-C313 VanDerWaalsContact O-SG 3.34Å
310C98.7Very high98.3Very high10 Ų1037.5 Ų37.57%0.06819%0.19CC..Hα-helixtrans-57.9-44176.8-76.60000112Q306 L307 C313 R314 R315 C316 F327Q306-C310 PolarHBondContact NE2-SG 3.37Å; Q306-C310 PolarHBondContact O-N 3.43Å; Q306-C310 PolarHBondContact O-SG 3.25Å; L307-C310 PolarHBondContact O-N 2.95Å; C310-C313 CarbonylContact O-C 3.51Å; C310-C313 PolarHBondContact O-N 3Å; C310-R314 WeakPolarHBondContact O-CA 3.33Å; C310-R314 PolarHBondContact O-N 2.98Å; C310-R315 WeakPolarHBondContact CA-O 3.39Å; C310-R315 WeakPolarHBondContact CB-O 3.47Å; C310-R315 PolarHBondContact O-N 2.92Å; C310-R315 PolarHBondContact SG-O 2.69Å; C310-C316 HydrophobicContact CB-CB 4.26Å; C310-F327 HydrophobicContact CB-CE2 3.98Å; C310-F327 HydrophobicContact CB-CZ 4.45Å; C310-F327 WeakPolarHBondContact O-CE2 3.35Å
311L98.7Very high98.2Very high1 Ų137.6 Ų37.61%0.00519%0.191CC..Hα-helixtrans-64.5-43.9179.9-73.3163.6000111.9L269 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 3.94Å; L269-L311 HydrophobicContact CD2-CG 4.45Å; L307-L311 HydrophobicContact CD1-CD1 4.06Å; L307-L311 HydrophobicContact CD1-CG 4.28Å; L307-L311 HydrophobicContact CG-CD1 3.94Å; L307-L311 WeakPolarHBondContact O-CB 3.34Å; L307-L311 WeakPolarHBondContact O-CD1 3.32Å; L307-L311 VanDerWaalsContact O-CG 3.26Å; L307-L311 WeakPolarHBondContact O-CG 3.42Å; L307-L311 PolarHBondContact O-N 3.27Å; I308-L311 PolarHBondContact O-N 3.05Å; S309-L311 VanDerWaalsContact C-N 3.32Å; S309-L311 PolarHBondContact O-N 3.14Å; L311-R314 PolarHBondContact O-N 3.42Å; L311-F327 HydrophobicContact CD2-CE1 4.2Å; L311-F327 HydrophobicContact CD2-CE2 3.87Å; L311-F327 HydrophobicContact CD2-CZ 3.53Å; L311-F327 HydrophobicContact CG-CE2 4.19Å; L311-F327 HydrophobicContact CG-CZ 3.97Å; L311-L335 HydrophobicContact CD2-CB 4.27Å; L311-L335 HydrophobicContact CD2-CD2 3.95Å; L311-A338 HydrophobicContact CD1-CB 3.95Å; L311-A338 HydrophobicContact CD2-CB 3.85Å; L311-A339 HydrophobicContact CB-CB 3.8Å; L311-A339 HydrophobicContact CD1-CB 4.45Å
312Q98.2Very high98Very high120 Ų12038.1 Ų38.156%0.56120%0.196SC*.Hα-helixtrans-67.1-40.8177.2-71.3177.9-38.900112.2I308 S309 R314 A339I308-Q312 HydrophobicContact CG2-CG 4.47Å; I308-Q312 WeakPolarHBondContact O-CG 3.29Å; I308-Q312 PolarHBondContact O-N 3.03Å; S309-Q312 PolarHBondContact O-N 2.67Å; Q312-R314 PolarHBondContact O-N 3.49Å; Q312-A339 HydrophobicContact CG-CB 4.06Å
313C97.9Very high97.7Very high92 Ų9244.3 Ų44.362%0.62223%0.225SC*.Hα-helixtrans-75.5-7.5174.8-66.20000113.3S309 C310 R315S309-C313 VanDerWaalsContact O-CB 3.32Å; S309-C313 WeakPolarHBondContact O-CB 3.13Å; S309-C313 PolarHBondContact O-N 2.93Å; S309-C313 PolarHBondContact O-SG 3.22Å; S309-C313 VanDerWaalsContact O-SG 3.34Å; C310-C313 CarbonylContact O-C 3.51Å; C310-C313 PolarHBondContact O-N 3Å; C313-R315 PolarHBondContact O-N 2.92Å
314R97.6Very high97.5Very high120 Ų12045.4 Ų45.445%0.45323%0.231SC..THydrogen-bonded Turntrans55.233.9-178.5-52.9170.2-1751702.9112.7C310 L311 Q312 H332 L335C310-R314 WeakPolarHBondContact O-CA 3.33Å; C310-R314 PolarHBondContact O-N 2.98Å; L311-R314 PolarHBondContact O-N 3.42Å; Q312-R314 PolarHBondContact O-N 3.49Å; R314-H332 PolarHBondContact NH1-ND1 3.42Å; R314-L335 HydrophobicContact CB-CD1 4.08Å; R314-L335 HydrophobicContact CG-CD1 4.24Å
315R97.7Very high97.4Very high151 Ų15147 Ų4757%0.5724%0.239SC*.  trans-147.1126.2-178.6-169.3177.4177.9-171.5-1.5110.8C310 C313 D325C310-R315 WeakPolarHBondContact CA-O 3.39Å; C310-R315 WeakPolarHBondContact CB-O 3.47Å; C310-R315 PolarHBondContact O-N 2.92Å; C310-R315 PolarHBondContact SG-O 2.69Å; C313-R315 PolarHBondContact O-N 2.92Å; R315-D325 WeakPolarHBondContact CA-OD1 3.29Å
316C98.1Very high97.3Very high1 Ų144.9 Ų44.91%0.00723%0.228CC..  trans-135.290.1172.8-172.40000108C310 D325 L326 F327C310-C316 HydrophobicContact CB-CB 4.26Å; C316-D325 PolarHBondContact N-OD1 2.67Å; C316-L326 HydrophobicContact CB-CB 4.35Å; C316-L326 VanDerWaalsContact O-CB 3.3Å; C316-L326 WeakPolarHBondContact O-CB 3.34Å; C316-L326 WeakPolarHBondContact O-CG 3.19Å; C316-L326 PolarHBondContact O-N 2.65Å; C316-F327 HydrophobicContact CB-CD1 4.19Å; C316-F327 HydrophobicContact CB-CD2 3.76Å; C316-F327 HydrophobicContact CB-CE1 4.05Å; C316-F327 HydrophobicContact CB-CE2 3.6Å; C316-F327 HydrophobicContact CB-CG 4.06Å; C316-F327 HydrophobicContact CB-CZ 3.75Å
317P97.6Very high97.2Very high31 Ų3142.7 Ų42.720%0.20122%0.218CC..BIsolated β-bridgetrans-65.2141.7-176.727.1-33.2000111.1T276 Y280 L324T276-P317 WeakPolarHBondContact CG2-O 3.45Å; Y280-P317 HydrophobicContact CE2-CG 4.24Å; Y280-P317 VanDerWaalsContact CE2-O 3.31Å; Y280-P317 WeakPolarHBondContact CE2-O 3.45Å; Y280-P317 PolarHBondContact OH-O 3.17Å; P317-L324 CarbonylContact C-O 3.24Å; P317-L324 WeakPolarHBondContact CA-O 3.43Å
318H98Very high96.9Very high8 Ų846.3 Ų46.34%0.03724%0.235CC..  trans-61.9139.7169.6-178-67.3000109.9F234 Y272 Y280 F320 L321 L324 L326F234-H318 AromaticContact CD2-CE1 3.83Å; Y272-H318 AromaticContact CE1-CD2 3.86Å; Y272-H318 AromaticContact CZ-NE2 3.92Å; Y272-H318 PolarHBondContact OH-CD2 3.45Å; Y272-H318 PolarHBondContact OH-CE1 3.31Å; Y272-H318 PolarHBondContact OH-NE2 2.77Å; Y280-H318 PolarHBondContact OH-O 3.2Å; H318-F320 PolarHBondContact ND1-N 2.95Å; H318-L321 HydrophobicContact CB-CB 4.17Å; H318-L321 WeakPolarHBondContact CB-O 3.29Å; H318-L321 PolarHBondContact ND1-N 2.72Å; H318-L321 CarbonylContact O-C 3.55Å; H318-L321 PolarHBondContact O-N 2.99Å; H318-L324 HydrophobicContact CB-CB 4.02Å; H318-L324 HydrophobicContact CB-CD2 4.17Å; H318-L324 HydrophobicContact CB-CG 4.32Å; H318-L324 PolarHBondContact N-O 3.34Å; H318-L326 HydrophobicContact CB-CD2 3.92Å; H318-L326 HydrophobicContact CB-CG 4.29Å
319Y98.5Very high96.5Very high8 Ų849 Ų493%0.03126%0.264CS..SBendtrans-61-56.3-171.9-179.1-104.6000113.4W187 W194 L241 L279 Y280 E283W187-Y319 AromaticContact CD1-CE1 3.97Å; W187-Y319 AromaticContact NE1-CE1 3.58Å; W187-Y319 AromaticContact NE1-CZ 3.6Å; W187-Y319 PolarHBondContact NE1-OH 3.48Å; W194-Y319 VanDerWaalsContact CZ3-OH 3.32Å; W194-Y319 WeakPolarHBondContact CZ3-OH 3.21Å; L241-Y319 HydrophobicContact CD2-CD1 4.4Å; L241-Y319 HydrophobicContact CD2-CE1 3.49Å; L241-Y319 VanDerWaalsContact CD2-CE1 3.49Å; L279-Y319 HydrophobicContact CB-CD1 4.07Å; L279-Y319 HydrophobicContact CB-CD2 3.5Å; L279-Y319 HydrophobicContact CB-CE1 4.25Å; L279-Y319 HydrophobicContact CB-CE2 3.7Å; L279-Y319 HydrophobicContact CB-CG 3.69Å; L279-Y319 HydrophobicContact CD1-CD1 3.77Å; L279-Y319 HydrophobicContact CD1-CE1 4.41Å; L279-Y319 HydrophobicContact CD1-CG 3.81Å; L279-Y319 HydrophobicContact CD2-CD1 4.47Å; L279-Y319 HydrophobicContact CD2-CE1 4.32Å; L279-Y319 HydrophobicContact CG-CD1 4.34Å; L279-Y319 HydrophobicContact CG-CG 4.31Å; Y280-Y319 HydrophobicContact CD1-CD2 4.06Å; Y280-Y319 HydrophobicContact CD1-CE2 4.34Å; Y280-Y319 HydrophobicContact CD2-CD2 4.23Å; Y280-Y319 HydrophobicContact CE1-CD2 4.02Å; Y280-Y319 HydrophobicContact CE2-CD2 4.18Å; Y280-Y319 HydrophobicContact CG-CD2 4.17Å; E283-Y319 HydrophobicContact CG-CE2 4.02Å; E283-Y319 PolarHBondContact OE1-OH 2.97Å
320F98.2Very high96.3Very high0 Ų048.6 Ų48.60%026%0.257CS..SBendtrans-78.7-16.3178-67.2-62.4000114.5W180 A184 Q186 W187 V203 F234 E238 L241 H318W180-F320 HydrophobicContact CH2-CE1 4.31Å; W180-F320 HydrophobicContact CH2-CZ 4.34Å; W180-F320 AromaticContact CZ2-CD1 3.86Å; W180-F320 HydrophobicContact CZ2-CD1 3.86Å; W180-F320 AromaticContact CZ2-CE1 3.93Å; W180-F320 HydrophobicContact CZ2-CE1 3.93Å; W180-F320 HydrophobicContact CZ2-CG 4.27Å; W180-F320 HydrophobicContact CZ2-CZ 4.41Å; A184-F320 WeakPolarHBondContact CA-O 3.4Å; A184-F320 HydrophobicContact CB-CB 4.16Å; A184-F320 WeakPolarHBondContact CB-O 3.27Å; Q186-F320 PolarHBondContact NE2-O 3.37Å; W187-F320 HydrophobicContact CB-CD1 4.2Å; W187-F320 AromaticContact CD2-CD1 3.96Å; W187-F320 HydrophobicContact CD2-CD1 3.96Å; W187-F320 AromaticContact CD2-CE1 3.54Å; W187-F320 HydrophobicContact CD2-CE1 3.54Å; W187-F320 AromaticContact CE2-CE1 3.71Å; W187-F320 HydrophobicContact CE3-CD1 4.35Å; W187-F320 AromaticContact CE3-CE1 3.81Å; W187-F320 HydrophobicContact CE3-CE1 3.81Å; W187-F320 AromaticContact CG-CD1 3.84Å; W187-F320 HydrophobicContact CG-CD1 3.84Å; W187-F320 AromaticContact CG-CE1 3.9Å; W187-F320 HydrophobicContact CG-CE1 3.9Å; W187-F320 HydrophobicContact CH2-CE1 4.37Å; W187-F320 HydrophobicContact CZ2-CE1 4.14Å; W187-F320 HydrophobicContact CZ3-CE1 4.21Å; V203-F320 HydrophobicContact CG1-CZ 4.08Å; F234-F320 HydrophobicContact CB-CD2 3.66Å; F234-F320 HydrophobicContact CB-CE2 3.8Å; F234-F320 AromaticContact CD1-CD2 3.98Å; F234-F320 HydrophobicContact CD1-CD2 3.98Å; F234-F320 HydrophobicContact CD1-CE2 4.42Å; F234-F320 HydrophobicContact CD1-CG 4.42Å; F234-F320 HydrophobicContact CD2-CB 4.25Å; F234-F320 AromaticContact CD2-CD2 3.97Å; F234-F320 HydrophobicContact CD2-CD2 3.97Å; F234-F320 HydrophobicContact CE2-CB 4.11Å; F234-F320 AromaticContact CG-CD2 3.61Å; F234-F320 HydrophobicContact CG-CD2 3.61Å; F234-F320 HydrophobicContact CG-CE2 4.16Å; F234-F320 HydrophobicContact CG-CG 4.34Å; F234-F320 HydrophobicContact CZ-CB 4.23Å; E238-F320 HydrophobicContact CG-CD2 4.25Å; E238-F320 HydrophobicContact CG-CE2 3.62Å; L241-F320 HydrophobicContact CD2-CE1 4.3Å; L241-F320 HydrophobicContact CD2-CZ 3.86Å; H318-F320 PolarHBondContact ND1-N 2.95Å
321L96.7Very high96.1Very high6 Ų651.2 Ų51.23%0.03127%0.274CS..  trans-129.572.4-171-59.6-179.4000109.6S183 A184 L232 F234 H318 N323 L324S183-L321 VanDerWaalsContact OG-CD2 3.29Å; S183-L321 WeakPolarHBondContact OG-CD2 3.46Å; A184-L321 HydrophobicContact CB-CD2 4.01Å; L232-L321 HydrophobicContact CB-CD1 4.09Å; L232-L321 HydrophobicContact CD1-CD1 4.06Å; L232-L321 HydrophobicContact CD1-CD2 4.32Å; F234-L321 HydrophobicContact CE2-CD1 3.91Å; F234-L321 HydrophobicContact CE2-CD2 4.31Å; F234-L321 HydrophobicContact CE2-CG 3.95Å; F234-L321 HydrophobicContact CZ-CD2 4.3Å; F234-L321 HydrophobicContact CZ-CG 4.42Å; H318-L321 HydrophobicContact CB-CB 4.17Å; H318-L321 WeakPolarHBondContact CB-O 3.29Å; H318-L321 PolarHBondContact ND1-N 2.72Å; H318-L321 CarbonylContact O-C 3.55Å; H318-L321 PolarHBondContact O-N 2.99Å; L321-N323 PolarHBondContact O-N 3Å; L321-L324 HydrophobicContact CB-CB 4.24Å; L321-L324 WeakPolarHBondContact O-CB 3.33Å; L321-L324 PolarHBondContact O-N 3.12Å
322P93.7Very high96Very high49 Ų4956.1 Ų56.132%0.31830%0.296SS..THydrogen-bonded Turntrans-59.7-17.8-170-25.335000115.6L324P322-L324 VanDerWaalsContact C-N 3.33Å
323N91.7Very high96Very high148 Ų14854.9 Ų54.979%0.79130%0.301SS*.THydrogen-bonded Turntrans-79.8-13.5175.7-66.3-22.8000113.4L321L321-N323 PolarHBondContact O-N 3Å
324L94.1Very high96Very high24 Ų2450.9 Ų50.913%0.12627%0.274CS..SBendtrans-93.8121.1174.7-177.766.5000109.2P317 H318 L321 P322P317-L324 CarbonylContact C-O 3.24Å; P317-L324 WeakPolarHBondContact CA-O 3.43Å; H318-L324 HydrophobicContact CB-CB 4.02Å; H318-L324 HydrophobicContact CB-CD2 4.17Å; H318-L324 HydrophobicContact CB-CG 4.32Å; H318-L324 PolarHBondContact N-O 3.34Å; L321-L324 HydrophobicContact CB-CB 4.24Å; L321-L324 WeakPolarHBondContact O-CB 3.33Å; L321-L324 PolarHBondContact O-N 3.12Å; P322-L324 VanDerWaalsContact C-N 3.33Å
325D95.8Very high96Very high39 Ų3945.2 Ų45.221%0.20925%0.253CS..BIsolated β-bridgetrans-95.5122.4174.7179.239.6000110.7R315 C316 F327 Q328R315-D325 WeakPolarHBondContact CA-OD1 3.29Å; C316-D325 PolarHBondContact N-OD1 2.67Å; D325-F327 PolarHBondContact O-N 3.25Å; D325-F327 PolarHBondContact OD1-N 2.95Å; D325-Q328 HydrophobicContact CB-CB 4.47Å; D325-Q328 WeakPolarHBondContact O-CB 3.44Å; D325-Q328 PolarHBondContact O-N 3.46Å; D325-Q328 VanDerWaalsContact O-N 3.11Å; D325-Q328 PolarHBondContact OD2-N 3.31Å
326L96.5Very high96Very high27 Ų2741.6 Ų41.614%0.14124%0.242CC..THydrogen-bonded Turntrans-72.3-16.5-178.1-57.3179.9000112.9Y272 H273 T276 C316 H318 Q328Y272-L326 HydrophobicContact CD1-CD1 3.97Å; Y272-L326 HydrophobicContact CD1-CD2 4.13Å; Y272-L326 HydrophobicContact CE1-CD1 3.99Å; Y272-L326 HydrophobicContact CE1-CD2 3.9Å; H273-L326 PolarHBondContact NE2-O 3.48Å; T276-L326 HydrophobicContact CG2-CD1 3.85Å; T276-L326 WeakPolarHBondContact OG1-CD1 3.29Å; C316-L326 HydrophobicContact CB-CB 4.35Å; C316-L326 VanDerWaalsContact O-CB 3.3Å; C316-L326 WeakPolarHBondContact O-CB 3.34Å; C316-L326 WeakPolarHBondContact O-CG 3.19Å; C316-L326 PolarHBondContact O-N 2.65Å; H318-L326 HydrophobicContact CB-CD2 3.92Å; H318-L326 HydrophobicContact CB-CG 4.29Å; L326-Q328 VanDerWaalsContact C-N 3.34Å
327F96.9Very high96Very high4 Ų444 Ų442%0.01826%0.259CS..THydrogen-bonded Turntrans-89.51.9172.1-66.8-22.8000113.9L269 H273 C310 L311 C316 D325 G329 K330 L335L269-F327 HydrophobicContact CD2-CE1 4.06Å; L269-F327 HydrophobicContact CD2-CZ 4.21Å; H273-F327 AromaticContact CE1-CD1 3.91Å; H273-F327 AromaticContact CE1-CE1 3.67Å; H273-F327 AromaticContact ND1-CE1 3.82Å; H273-F327 AromaticContact NE2-CD1 3.91Å; H273-F327 AromaticContact NE2-CE1 3.89Å; C310-F327 HydrophobicContact CB-CE2 3.98Å; C310-F327 HydrophobicContact CB-CZ 4.45Å; C310-F327 WeakPolarHBondContact O-CE2 3.35Å; L311-F327 HydrophobicContact CD2-CE1 4.2Å; L311-F327 HydrophobicContact CD2-CE2 3.87Å; L311-F327 HydrophobicContact CD2-CZ 3.53Å; L311-F327 HydrophobicContact CG-CE2 4.19Å; L311-F327 HydrophobicContact CG-CZ 3.97Å; C316-F327 HydrophobicContact CB-CD1 4.19Å; C316-F327 HydrophobicContact CB-CD2 3.76Å; C316-F327 HydrophobicContact CB-CE1 4.05Å; C316-F327 HydrophobicContact CB-CE2 3.6Å; C316-F327 HydrophobicContact CB-CG 4.06Å; C316-F327 HydrophobicContact CB-CZ 3.75Å; D325-F327 PolarHBondContact O-N 3.25Å; D325-F327 PolarHBondContact OD1-N 2.95Å; F327-G329 PolarHBondContact O-N 2.84Å; F327-K330 VanDerWaalsContact O-CB 3.3Å; F327-K330 WeakPolarHBondContact O-CB 3.35Å; F327-K330 WeakPolarHBondContact O-CG 3.23Å; F327-K330 PolarHBondContact O-N 3.34Å; F327-L335 HydrophobicContact CB-CD1 4.12Å; F327-L335 HydrophobicContact CB-CD2 4.3Å; F327-L335 HydrophobicContact CD1-CD2 4Å; F327-L335 HydrophobicContact CD2-CD1 4.28Å; F327-L335 HydrophobicContact CD2-CD2 4.2Å; F327-L335 HydrophobicContact CE1-CD2 4.35Å; F327-L335 HydrophobicContact CG-CD1 4.32Å; F327-L335 HydrophobicContact CG-CD2 3.92Å
328Q93.3Very high96.1Very high76 Ų7642.5 Ų42.536%0.35525%0.25SC..THydrogen-bonded Turntrans-56.2132.3176.1-174166.613.800111.3D325 L326 K330D325-Q328 HydrophobicContact CB-CB 4.47Å; D325-Q328 WeakPolarHBondContact O-CB 3.44Å; D325-Q328 PolarHBondContact O-N 3.46Å; D325-Q328 VanDerWaalsContact O-N 3.11Å; D325-Q328 PolarHBondContact OD2-N 3.31Å; L326-Q328 VanDerWaalsContact C-N 3.34Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 3.28Å
329G90.7Very high96.1Very high65 Ų6542.3 Ų42.367%0.6725%0.25SC*.THydrogen-bonded Turntrans79.8-4.1-178.400000115.1F327F327-G329 PolarHBondContact O-N 2.84Å
330K93.9Very high96.1Very high41 Ų4147.5 Ų47.518%0.17827%0.272CS..  trans-83.5134176.1-56.4-62.3-179.6170.10110.6Q267 F327 Q328 H332 L335Q267-K330 WeakPolarHBondContact O-CE 3.31Å; Q267-K330 PolarHBondContact O-NZ 3.38Å; F327-K330 VanDerWaalsContact O-CB 3.3Å; F327-K330 WeakPolarHBondContact O-CB 3.35Å; F327-K330 WeakPolarHBondContact O-CG 3.23Å; F327-K330 PolarHBondContact O-N 3.34Å; Q328-K330 VanDerWaalsContact C-N 3.26Å; Q328-K330 PolarHBondContact O-N 3.28Å; K330-H332 PolarHBondContact O-N 2.95Å; K330-L335 HydrophobicContact CB-CD2 3.88Å; K330-L335 HydrophobicContact CB-CG 4.27Å; K330-L335 HydrophobicContact CG-CD2 4.49Å
331P94.7Very high96.1Very high65 Ų6550.6 Ų50.642%0.42229%0.287SS..  trans-66.9133.4178.525.4-30.6000110.3S333 A334 L335P331-S333 PolarHBondContact O-N 3.07Å; P331-S333 VanDerWaalsContact O-N 3.12Å; P331-A334 HydrophobicContact CG-CB 3.78Å; P331-A334 WeakPolarHBondContact O-CB 3.49Å; P331-A334 PolarHBondContact O-N 3.49Å; P331-L335 PolarHBondContact O-N 3.16Å
332H96.6Very high96.2Very high104 Ų10450.3 Ų50.348%0.48129%0.285SS..Hα-helixtrans-56.3-32.4-177.9-66.7172.4000113.1R314 K330 A334 L335 E336R314-H332 PolarHBondContact NH1-ND1 3.42Å; K330-H332 PolarHBondContact O-N 2.95Å; H332-A334 VanDerWaalsContact C-N 3.33Å; H332-A334 PolarHBondContact O-N 3.43Å; H332-L335 PolarHBondContact O-N 2.87Å; H332-E336 WeakPolarHBondContact O-CB 3.39Å; H332-E336 PolarHBondContact O-N 3.32Å
333S97.5Very high96.4Very high94 Ų9454 Ų5466%0.65729%0.293SS*.Hα-helixtrans-63.1-36.4175.353.40000112.8P331 S337P331-S333 PolarHBondContact O-N 3.07Å; P331-S333 VanDerWaalsContact O-N 3.12Å; S333-S337 WeakPolarHBondContact O-CB 3.23Å; S333-S337 PolarHBondContact O-N 2.87Å
334A98.1Very high96.8Very high7 Ų753.5 Ų53.56%0.05828%0.28CS..Hα-helixtrans-71.3-38.417500000111.5P268 P331 H332 S337 A338P268-A334 HydrophobicContact CB-CB 4.12Å; P268-A334 HydrophobicContact CG-CB 4.3Å; P331-A334 HydrophobicContact CG-CB 3.78Å; P331-A334 WeakPolarHBondContact O-CB 3.49Å; P331-A334 PolarHBondContact O-N 3.49Å; H332-A334 VanDerWaalsContact C-N 3.33Å; H332-A334 PolarHBondContact O-N 3.43Å; A334-S337 PolarHBondContact O-N 3.49Å; A334-A338 WeakPolarHBondContact O-CB 3.39Å; A334-A338 PolarHBondContact O-N 3.38Å
335L98.5Very high96.9Very high2 Ų252.8 Ų52.81%0.0128%0.276CS..Hα-helixtrans-62.7-43.2174.9-58.3-178.9000111.5P268 L311 R314 F327 K330 P331 H332 A338 A339P268-L335 HydrophobicContact CB-CD2 3.97Å; L311-L335 HydrophobicContact CD2-CB 4.27Å; L311-L335 HydrophobicContact CD2-CD2 3.95Å; R314-L335 HydrophobicContact CB-CD1 4.08Å; R314-L335 HydrophobicContact CG-CD1 4.24Å; F327-L335 HydrophobicContact CB-CD1 4.12Å; F327-L335 HydrophobicContact CB-CD2 4.3Å; F327-L335 HydrophobicContact CD1-CD2 4Å; F327-L335 HydrophobicContact CD2-CD1 4.28Å; F327-L335 HydrophobicContact CD2-CD2 4.2Å; F327-L335 HydrophobicContact CE1-CD2 4.35Å; F327-L335 HydrophobicContact CG-CD1 4.32Å; F327-L335 HydrophobicContact CG-CD2 3.92Å; K330-L335 HydrophobicContact CB-CD2 3.88Å; K330-L335 HydrophobicContact CB-CG 4.27Å; K330-L335 HydrophobicContact CG-CD2 4.49Å; P331-L335 PolarHBondContact O-N 3.16Å; H332-L335 PolarHBondContact O-N 2.87Å; L335-A338 PolarHBondContact O-N 2.93Å; L335-A339 PolarHBondContact O-N 3.09Å
336E98.1Very high97Very high74 Ų7451.1 Ų51.135%0.34627%0.268SS..Hα-helixtrans-63.9-42.5176.1-177.360.9-149.900112H332 A338 A339 K340H332-E336 WeakPolarHBondContact O-CB 3.39Å; H332-E336 PolarHBondContact O-N 3.32Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A339 PolarHBondContact O-N 3.06Å; E336-K340 WeakPolarHBondContact O-CG 3.28Å; E336-K340 PolarHBondContact O-N 2.97Å; E336-K340 VanDerWaalsContact O-N 3.15Å; E336-K340 WeakPolarHBondContact OE1-CE 3.39Å; E336-K340 IonicContact OE1-NZ 3.68Å
337S98.1Very high97.1Very high52 Ų5256.4 Ų56.436%0.36429%0.286SS..Hα-helixtrans-61.3-44.1174.3-1730000111.4S333 A334 K340 Q341S333-S337 WeakPolarHBondContact O-CB 3.23Å; S333-S337 PolarHBondContact O-N 2.87Å; A334-S337 PolarHBondContact O-N 3.49Å; S337-K340 PolarHBondContact O-N 3.3Å; S337-Q341 WeakPolarHBondContact O-CG 3.18Å; S337-Q341 PolarHBondContact O-N 3.21Å; S337-Q341 VanDerWaalsContact O-N 3.07Å
338A98.7Very high97.1Very high0 Ų060.6 Ų60.60%031%0.306CS..Hα-helixtrans-61.4-43.917500000112L264 P268 L269 L311 A334 L335 E336 K340 Q341 T342L264-A338 VanDerWaalsContact CD1-CA 3.48Å; L264-A338 HydrophobicContact CD1-CB 3.77Å; 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 3.95Å; L311-A338 HydrophobicContact CD2-CB 3.85Å; A334-A338 WeakPolarHBondContact O-CB 3.39Å; A334-A338 PolarHBondContact O-N 3.38Å; L335-A338 PolarHBondContact O-N 2.93Å; E336-A338 VanDerWaalsContact C-N 3.34Å; A338-K340 VanDerWaalsContact C-N 3.29Å; A338-K340 PolarHBondContact O-N 2.92Å; A338-Q341 PolarHBondContact O-N 3.09Å; A338-T342 WeakPolarHBondContact O-CB 3.45Å; A338-T342 PolarHBondContact O-N 3.19Å; A338-T342 PolarHBondContact O-OG1 2.88Å
339A98.7Very high97.3Very high4 Ų457.3 Ų57.33%0.03329%0.29CS..Hα-helixtrans-56-45.6177.300000111.4L311 Q312 L335 E336 W343L311-A339 HydrophobicContact CB-CB 3.8Å; L311-A339 HydrophobicContact CD1-CB 4.45Å; Q312-A339 HydrophobicContact CG-CB 4.06Å; L335-A339 PolarHBondContact O-N 3.09Å; E336-A339 PolarHBondContact O-N 3.06Å; A339-W343 WeakPolarHBondContact O-CB 3.26Å; A339-W343 PolarHBondContact O-N 2.79Å
340K98.4Very high97.5Very high116 Ų11658.6 Ų58.650%0.50428%0.281SS..Hα-helixtrans-62.9-44.1178-70.4173.1-176.1170.40112.3E336 S337 A338 R344E336-K340 WeakPolarHBondContact O-CG 3.28Å; E336-K340 PolarHBondContact O-N 2.97Å; E336-K340 VanDerWaalsContact O-N 3.15Å; E336-K340 WeakPolarHBondContact OE1-CE 3.39Å; E336-K340 IonicContact OE1-NZ 3.68Å; S337-K340 PolarHBondContact O-N 3.3Å; A338-K340 VanDerWaalsContact C-N 3.29Å; A338-K340 PolarHBondContact O-N 2.92Å; K340-R344 VanDerWaalsContact O-CG 3.3Å; K340-R344 WeakPolarHBondContact O-CG 3.46Å; K340-R344 PolarHBondContact O-N 2.86Å
341Q98.4Very high97.5Very high66 Ų6662.1 Ų62.131%0.30831%0.307SS..Hα-helixtrans-71.4-41.1180-62.9-63.59.400112.1L262 L264 S337 A338 W343 R344 L345L262-Q341 HydrophobicContact CD2-CB 4.1Å; L264-Q341 HydrophobicContact CD1-CB 4.2Å; L264-Q341 HydrophobicContact CD1-CG 4.21Å; L264-Q341 HydrophobicContact CD2-CG 4.14Å; S337-Q341 WeakPolarHBondContact O-CG 3.18Å; S337-Q341 PolarHBondContact O-N 3.21Å; S337-Q341 VanDerWaalsContact O-N 3.07Å; A338-Q341 PolarHBondContact O-N 3.09Å; Q341-W343 PolarHBondContact O-N 2.68Å; Q341-R344 PolarHBondContact O-N 3.21Å; Q341-L345 WeakPolarHBondContact O-CB 3.35Å; Q341-L345 PolarHBondContact O-N 2.89Å
342T98.6Very high97.6Very high0 Ų062.6 Ų62.60%031%0.306CS..Hα-helixtrans-62.3-41.9174.2-54.10000111.3L304 L307 I308 A338 L345 A346L304-T342 HydrophobicContact CD2-CG2 4.3Å; L307-T342 HydrophobicContact CB-CG2 4.39Å; L307-T342 HydrophobicContact CD2-CG2 3.72Å; L307-T342 HydrophobicContact CG-CG2 4.06Å; I308-T342 HydrophobicContact CD1-CG2 4.08Å; I308-T342 HydrophobicContact CG1-CG2 3.6Å; A338-T342 WeakPolarHBondContact O-CB 3.45Å; A338-T342 PolarHBondContact O-N 3.19Å; A338-T342 PolarHBondContact O-OG1 2.88Å; T342-L345 PolarHBondContact O-N 3.03Å; T342-A346 VanDerWaalsContact O-CB 3.3Å; T342-A346 WeakPolarHBondContact O-CB 3.46Å; T342-A346 PolarHBondContact O-N 3.18Å
343W98.5Very high97.6Very high126 Ų12658.2 Ų58.248%0.47729%0.286SS..Hα-helixtrans-61-45.6173.9174.4-105.8000112.4L305 I308 A339 Q341 L345 A346 R347L305-W343 HydrophobicContact CD2-CZ3 4.15Å; I308-W343 HydrophobicContact CD1-CB 4.23Å; I308-W343 HydrophobicContact CD1-CE3 3.99Å; I308-W343 HydrophobicContact CG1-CB 4.46Å; A339-W343 WeakPolarHBondContact O-CB 3.26Å; A339-W343 PolarHBondContact O-N 2.79Å; Q341-W343 PolarHBondContact O-N 2.68Å; W343-L345 VanDerWaalsContact C-N 3.35Å; W343-L345 PolarHBondContact O-N 3.4Å; W343-A346 PolarHBondContact O-N 2.97Å; W343-R347 WeakPolarHBondContact O-CB 3.45Å; W343-R347 PolarHBondContact O-N 3.34Å
344R98.2Very high97.5Very high138 Ų13859.6 Ų59.652%0.52128%0.28SS..Hα-helixtrans-58-48.1176.6-76.2171.5179.2178-2.4111.4K340 Q341 R347 E348K340-R344 VanDerWaalsContact O-CG 3.3Å; K340-R344 WeakPolarHBondContact O-CG 3.46Å; K340-R344 PolarHBondContact O-N 2.86Å; Q341-R344 PolarHBondContact O-N 3.21Å; R344-R347 PolarHBondContact O-N 3.13Å; R344-E348 WeakPolarHBondContact O-CB 3.37Å; R344-E348 PolarHBondContact O-N 3.26Å
345L98Very high97.5Very high9 Ų959.6 Ų59.65%0.04728%0.28CS..Hα-helixtrans-62.4-50.5179-177.563.8000111.9L257 H261 L262 Q341 T342 W343 R347 E348 I349 L359L257-L345 HydrophobicContact CB-CD2 4.22Å; L257-L345 HydrophobicContact CD2-CD1 4.38Å; L257-L345 HydrophobicContact CD2-CD2 4.33Å; H261-L345 HydrophobicContact CB-CD1 4.44Å; H261-L345 HydrophobicContact CB-CD2 4.04Å; L262-L345 HydrophobicContact CD1-CD2 4.37Å; L262-L345 HydrophobicContact CD2-CD2 4.43Å; L262-L345 HydrophobicContact CG-CD2 4.33Å; Q341-L345 WeakPolarHBondContact O-CB 3.35Å; Q341-L345 PolarHBondContact O-N 2.89Å; T342-L345 PolarHBondContact O-N 3.03Å; W343-L345 VanDerWaalsContact C-N 3.35Å; W343-L345 PolarHBondContact O-N 3.4Å; L345-R347 VanDerWaalsContact C-N 3.33Å; L345-R347 PolarHBondContact O-N 3.04Å; L345-E348 PolarHBondContact O-N 3.45Å; L345-I349 HydrophobicContact CD1-CD1 4.12Å; L345-I349 HydrophobicContact CG-CD1 4Å; L345-I349 WeakPolarHBondContact O-CG1 3.38Å; L345-I349 PolarHBondContact O-N 2.93Å; L345-L359 HydrophobicContact CD1-CD1 3.68Å; L345-L359 HydrophobicContact CD1-CD2 3.73Å; L345-L359 HydrophobicContact CD1-CG 4.32Å
346A98Very high97.4Very high4 Ų459.6 Ų59.63%0.03328%0.28CS..Hα-helixtrans-60.5-43.5179.400000111.6L304 I308 T342 W343 E348 I349 L350L304-A346 HydrophobicContact CB-CB 4.05Å; L304-A346 HydrophobicContact CD1-CB 4.08Å; I308-A346 HydrophobicContact CD1-CB 4.17Å; T342-A346 VanDerWaalsContact O-CB 3.3Å; T342-A346 WeakPolarHBondContact O-CB 3.46Å; T342-A346 PolarHBondContact O-N 3.18Å; W343-A346 PolarHBondContact O-N 2.97Å; A346-E348 PolarHBondContact O-N 3.34Å; A346-I349 PolarHBondContact O-N 3.39Å; A346-L350 WeakPolarHBondContact O-CB 3.29Å; A346-L350 PolarHBondContact O-N 3.15Å
347R97.5Very high97.3Very high137 Ų13758.3 Ų58.352%0.51728%0.275SS..Hα-helixtrans-62.5-41.5176.9-173.3-179.968.1176.62.4111.7W343 R344 L345 T351W343-R347 WeakPolarHBondContact O-CB 3.45Å; W343-R347 PolarHBondContact O-N 3.34Å; R344-R347 PolarHBondContact O-N 3.13Å; L345-R347 VanDerWaalsContact C-N 3.33Å; L345-R347 PolarHBondContact O-N 3.04Å; R347-T351 WeakPolarHBondContact O-CB 3.34Å; R347-T351 PolarHBondContact O-N 2.93Å; R347-T351 PolarHBondContact O-OG1 3.37Å
348E97.2Very high97Very high93 Ų9364.4 Ų64.444%0.43530%0.295SS..Hα-helixtrans-65.2-44.6178.4-172.4177.7177.100111.9R344 L345 A346 N352 S355R344-E348 WeakPolarHBondContact O-CB 3.37Å; R344-E348 PolarHBondContact O-N 3.26Å; L345-E348 PolarHBondContact O-N 3.45Å; A346-E348 PolarHBondContact O-N 3.34Å; E348-N352 CarbonylContact O-C 3.58Å; E348-N352 PolarHBondContact O-N 2.94Å; E348-S355 PolarHBondContact O-OG 3.4Å; E348-S355 WeakPolarHBondContact OE1-CB 3.44Å
349I96.8Very high96.8Very high6 Ų665.2 Ų65.23%0.03130%0.299CS..Hα-helixtrans-62-45.8177-67.2168.8000110.7L8 L257 L304 L345 A346 N352 P353 L356 L359L8-I349 HydrophobicContact CD1-CG2 3.81Å; L257-I349 HydrophobicContact CD1-CD1 3.92Å; L257-I349 HydrophobicContact CD2-CD1 4.16Å; 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 3.38Å; L345-I349 PolarHBondContact O-N 2.93Å; A346-I349 PolarHBondContact O-N 3.39Å; I349-N352 CarbonylContact O-C 3.59Å; I349-P353 VanDerWaalsContact O-CA 3.31Å; I349-P353 WeakPolarHBondContact O-CA 3.26Å; I349-L356 HydrophobicContact CD1-CD2 4.17Å; I349-L356 HydrophobicContact CG1-CD2 4.06Å; I349-L356 HydrophobicContact CG1-CG 4.43Å; I349-L356 HydrophobicContact CG2-CD1 4.37Å; I349-L359 HydrophobicContact CD1-CD1 4.16Å; I349-L359 HydrophobicContact CG1-CD1 3.69Å
350L94.9Very high96.7Very high93 Ų9368.3 Ų68.349%0.48731%0.313SS..Hα-helixtrans-72.6-39.6-176.2-171.463.2000112.6A346A346-L350 WeakPolarHBondContact O-CB 3.29Å; A346-L350 PolarHBondContact O-N 3.15Å
351T95.2Very high96.6Very high115 Ų11565.7 Ų65.771%0.70630%0.303SS*.Hα-helixtrans-73-39.2-177.8-540000111.5R347R347-T351 WeakPolarHBondContact O-CB 3.34Å; R347-T351 PolarHBondContact O-N 2.93Å; R347-T351 PolarHBondContact O-OG1 3.37Å
352N95.4Very high96.5Very high75 Ų7565.7 Ų65.740%0.40130%0.302SS..  trans-143.590.1179.417821.7000110.2E348 I349 K354 S355E348-N352 CarbonylContact O-C 3.58Å; E348-N352 PolarHBondContact O-N 2.94Å; I349-N352 CarbonylContact O-C 3.59Å; N352-K354 PolarHBondContact O-N 3.29Å; N352-K354 WeakPolarHBondContact OD1-CB 3.32Å; N352-K354 PolarHBondContact OD1-N 2.89Å; N352-S355 VanDerWaalsContact O-CB 3.26Å; N352-S355 WeakPolarHBondContact O-CB 3.42Å; N352-S355 PolarHBondContact O-N 2.97Å; N352-S355 PolarHBondContact O-OG 3.39Å
353P96.2Very high96.4Very high11 Ų1169.6 Ų69.67%0.07132%0.32CS..G310 helixtrans-56.7-20.8-178.2-28.734.9000115.2L8 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 VanDerWaalsContact CB-O 3.32Å; Q11-P353 WeakPolarHBondContact CB-O 3.3Å; Q11-P353 HydrophobicContact CG-CB 3.9Å; Q11-P353 WeakPolarHBondContact CG-O 3.48Å; I349-P353 VanDerWaalsContact O-CA 3.31Å; I349-P353 WeakPolarHBondContact O-CA 3.26Å; P353-S355 PolarHBondContact O-N 3.43Å; P353-L356 WeakPolarHBondContact O-CB 3.37Å; P353-L356 WeakPolarHBondContact O-CD1 2.89Å; P353-L356 PolarHBondContact O-N 3.43Å
354K96.9Very high96.3Very high124 Ų12466.1 Ų66.154%0.53931%0.31SS..G310 helixtrans-66.2-17.1174.7-167.9176.8178.7177.90112.7N352 L356 D357N352-K354 PolarHBondContact O-N 3.29Å; N352-K354 WeakPolarHBondContact OD1-CB 3.32Å; N352-K354 PolarHBondContact OD1-N 2.89Å; K354-L356 PolarHBondContact O-N 3.13Å; K354-D357 WeakPolarHBondContact O-CB 3.33Å; K354-D357 PolarHBondContact O-N 2.95Å; K354-D357 VanDerWaalsContact O-N 3.11Å
355S96.9Very high96.2Very high7 Ų761.3 Ų61.35%0.04930%0.296CS..G310 helixtrans-56.8-28.8173.359.90000112.6E348 N352 P353 D357 K358 L359E348-S355 PolarHBondContact O-OG 3.4Å; E348-S355 WeakPolarHBondContact OE1-CB 3.44Å; N352-S355 VanDerWaalsContact O-CB 3.26Å; N352-S355 WeakPolarHBondContact O-CB 3.42Å; N352-S355 PolarHBondContact O-N 2.97Å; N352-S355 PolarHBondContact O-OG 3.39Å; P353-S355 PolarHBondContact O-N 3.43Å; S355-D357 PolarHBondContact O-N 3.25Å; S355-D357 VanDerWaalsContact O-N 3.09Å; S355-K358 PolarHBondContact O-N 3.1Å; S355-L359 PolarHBondContact O-N 3Å
356L97Very high96Very high2 Ų265 Ų651%0.0131%0.314CS..G310 helixtrans-54.5-28175.1-73.4165.5000113.2Q11 L12 Y15 L257 I349 P353 K354 K358 L359Q11-L356 HydrophobicContact CB-CD1 3.84Å; L12-L356 HydrophobicContact CD2-CD1 3.55Å; L12-L356 HydrophobicContact CD2-CD2 4.27Å; L12-L356 HydrophobicContact CG-CD1 3.91Å; Y15-L356 HydrophobicContact CD2-CB 3.89Å; Y15-L356 HydrophobicContact CD2-CD2 3.73Å; Y15-L356 HydrophobicContact CD2-CG 4.4Å; Y15-L356 VanDerWaalsContact CD2-O 3.28Å; Y15-L356 WeakPolarHBondContact CD2-O 3.19Å; Y15-L356 HydrophobicContact CE2-CD2 4.06Å; 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 4.17Å; I349-L356 HydrophobicContact CG1-CD2 4.06Å; I349-L356 HydrophobicContact CG1-CG 4.43Å; I349-L356 HydrophobicContact CG2-CD1 4.37Å; P353-L356 WeakPolarHBondContact O-CB 3.37Å; P353-L356 WeakPolarHBondContact O-CD1 2.89Å; P353-L356 PolarHBondContact O-N 3.43Å; K354-L356 PolarHBondContact O-N 3.13Å; L356-K358 PolarHBondContact O-N 3.29Å; L356-L359 HydrophobicContact CD2-CD1 4.09Å; L356-L359 PolarHBondContact O-N 2.85Å
357D95.1Very high95.9Very high46 Ų4669.7 Ų69.725%0.24634%0.336CS..G310 helixtrans-60.3-27.6174.7-74.1-22.1000112.6K14 R19 K354 S355K14-D357 WeakPolarHBondContact CE-OD1 3.2Å; K14-D357 IonicContact NZ-OD1 2.71Å; K14-D357 PolarHBondContact NZ-OD1 3.26Å; K14-D357 IonicContact NZ-OD2 3.5Å; R19-D357 PolarHBondContact NH2-O 3.16Å; K354-D357 WeakPolarHBondContact O-CB 3.33Å; K354-D357 PolarHBondContact O-N 2.95Å; K354-D357 VanDerWaalsContact O-N 3.11Å; S355-D357 PolarHBondContact O-N 3.25Å; S355-D357 VanDerWaalsContact O-N 3.09Å
358K93.1Very high95.7Very high181 Ų18164.1 Ų64.179%0.78732%0.32SS*.THydrogen-bonded Turntrans-99.9-25.6-179.3-63.4-176179.5-177.20112.7S355 L356S355-K358 PolarHBondContact O-N 3.1Å; L356-K358 PolarHBondContact O-N 3.29Å
359L94.1Very high95.6Very high16 Ų1661.5 Ų61.58%0.08431%0.31CS..  trans-63.90-175.9-70.6174.7000112.6Y15 R19 R260 H261 L345 I349 S355 L356Y15-L359 HydrophobicContact CE2-CB 4.06Å; Y15-L359 VanDerWaalsContact CE2-O 3.23Å; Y15-L359 WeakPolarHBondContact CE2-O 3.26Å; R19-L359 PolarHBondContact NH1-O 2.91Å; R260-L359 VanDerWaalsContact NE-C 3.3Å; R260-L359 PolarHBondContact NE-O 3.42Å; R260-L359 VanDerWaalsContact NE-O 3.17Å; R260-L359 PolarHBondContact NE-OXT 3.38Å; R260-L359 PolarHBondContact NH2-OXT 2.71Å; H261-L359 PolarHBondContact CE1-OXT 3.11Å; H261-L359 VanDerWaalsContact NE2-C 3.35Å; H261-L359 WeakPolarHBondContact NE2-CB 3.29Å; H261-L359 PolarHBondContact NE2-OXT 2.75Å; L345-L359 HydrophobicContact CD1-CD1 3.68Å; L345-L359 HydrophobicContact CD1-CD2 3.73Å; L345-L359 HydrophobicContact CD1-CG 4.32Å; I349-L359 HydrophobicContact CD1-CD1 4.16Å; I349-L359 HydrophobicContact CG1-CD1 3.69Å; S355-L359 PolarHBondContact O-N 3Å; L356-L359 HydrophobicContact CD2-CD1 4.09Å; L356-L359 PolarHBondContact O-N 2.85Å

Retrieved 359 of 359 residues in 72.8 ms (Link to these results)

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