A0A087X5T3_POEFO Loading...

ELMO/CED-12 domain containing 1

AlphaFold DB , UniProt , Accession A0A087X5T3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 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
1M64.2Low78.4Confident207 Ų207129.6 Ų129.6100%1.0261%0.614SS**  0-54.40-83-174.1-83.900114.7H3 F4 L5M1-H3 PolarHBondContact O-N 3.34Å; M1-F4 PolarHBondContact O-N 2.59Å; M1-L5 PolarHBondContact O-N 2.85Å
2K71.4Confident79Confident193 Ų193129.3 Ų129.384%0.83961%0.609SS**Hα-helixtrans-59.1-40.4-176.4-69.4-178.6178.1177.70115.2R6K2-R6 WeakPolarHBondContact O-CB 3.42Å; K2-R6 PolarHBondContact O-N 3.31Å; K2-R6 VanDerWaalsContact O-N 3.1Å
3H74.2Confident79.2Confident151 Ų151125.5 Ų125.570%0.69960%0.6SS**Hα-helixtrans-66.5-44.3177.1-171.3-85000112.2M1 R6 V7M1-H3 PolarHBondContact O-N 3.34Å; H3-R6 PolarHBondContact O-N 2.85Å; H3-V7 WeakPolarHBondContact O-CG2 3.29Å; H3-V7 PolarHBondContact O-N 3.35Å
4F81.6Confident79.4Confident150 Ų150124.6 Ų124.666%0.65859%0.592SS**Hα-helixtrans-60.4-46.9176.3178.9-100.4000111.7M1 R6 V7 V8M1-F4 PolarHBondContact O-N 2.59Å; F4-R6 VanDerWaalsContact C-N 3.31Å; F4-R6 PolarHBondContact O-N 3.46Å; F4-V7 PolarHBondContact O-N 3.05Å; F4-V8 HydrophobicContact CD1-CG2 4.26Å; F4-V8 HydrophobicContact CE1-CG2 3.94Å; F4-V8 HydrophobicContact CE2-CG2 4.25Å; F4-V8 HydrophobicContact CZ-CG2 3.93Å; F4-V8 VanDerWaalsContact O-CG2 3.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.41Å; F4-V8 PolarHBondContact O-N 3.23Å
5L77.4Confident79.4Confident117 Ų117121.8 Ų121.861%0.61358%0.581SS**Hα-helixtrans-60.8-40.7177.7-154.474.9000111.6M1 V8 T9M1-L5 PolarHBondContact O-N 2.85Å; L5-V8 PolarHBondContact O-N 3.01Å; L5-T9 PolarHBondContact O-N 3.34Å; L5-T9 PolarHBondContact O-OG1 3.11Å
6R78.9Confident79.2Confident175 Ų175123.8 Ų123.866%0.6658%0.582SS**Hα-helixtrans-62.9-43.2176.6-168.9178.2-173.1178.42.8112.7K2 H3 F4 T9 Q10K2-R6 WeakPolarHBondContact O-CB 3.42Å; K2-R6 PolarHBondContact O-N 3.31Å; K2-R6 VanDerWaalsContact O-N 3.1Å; H3-R6 PolarHBondContact O-N 2.85Å; F4-R6 VanDerWaalsContact C-N 3.31Å; F4-R6 PolarHBondContact O-N 3.46Å; R6-T9 PolarHBondContact O-N 3.25Å; R6-Q10 WeakPolarHBondContact O-CB 3.21Å; R6-Q10 VanDerWaalsContact O-CG 3.29Å; R6-Q10 WeakPolarHBondContact O-CG 3.42Å; R6-Q10 PolarHBondContact O-N 2.92Å
7V82.8Confident79.4Confident72 Ų72120.5 Ų120.544%0.43658%0.575SS.*Hα-helixtrans-64-43.5176.6172.40000110.6H3 F4 Q10 F11H3-V7 WeakPolarHBondContact O-CG2 3.29Å; H3-V7 PolarHBondContact O-N 3.35Å; F4-V7 PolarHBondContact O-N 3.05Å; V7-Q10 PolarHBondContact O-N 3.23Å; V7-F11 WeakPolarHBondContact O-CB 3.43Å; V7-F11 PolarHBondContact O-N 2.99Å
8V82Confident79.3Confident46 Ų46118.4 Ų118.428%0.27956%0.563SS.*Hα-helixtrans-63.6-44.3176.9173.20000111.2F4 L5 Q10 F11 F12F4-V8 HydrophobicContact CD1-CG2 4.26Å; F4-V8 HydrophobicContact CE1-CG2 3.94Å; F4-V8 HydrophobicContact CE2-CG2 4.25Å; F4-V8 HydrophobicContact CZ-CG2 3.93Å; F4-V8 VanDerWaalsContact O-CG2 3.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.41Å; F4-V8 PolarHBondContact O-N 3.23Å; L5-V8 PolarHBondContact O-N 3.01Å; V8-Q10 PolarHBondContact O-N 3.28Å; V8-F11 WeakPolarHBondContact O-CB 3.22Å; V8-F11 PolarHBondContact O-N 3.36Å; V8-F12 HydrophobicContact CG1-CD2 3.71Å; V8-F12 HydrophobicContact CG1-CE2 3.52Å; V8-F12 VanDerWaalsContact O-CD2 3.22Å; V8-F12 WeakPolarHBondContact O-CD2 3.3Å; V8-F12 PolarHBondContact O-N 2.97Å
9T82Confident79.3Confident80 Ų80116.1 Ų116.149%0.49156%0.56SS.*Hα-helixtrans-61.5-45.2175.2-53.90000111.6L5 R6 F11 F12 V13L5-T9 PolarHBondContact O-N 3.34Å; L5-T9 PolarHBondContact O-OG1 3.11Å; R6-T9 PolarHBondContact O-N 3.25Å; T9-F11 VanDerWaalsContact C-N 3.28Å; T9-F11 PolarHBondContact O-N 3.44Å; T9-F12 PolarHBondContact O-N 2.86Å; T9-V13 HydrophobicContact CG2-CG2 4.33Å; T9-V13 WeakPolarHBondContact O-CB 3.43Å; T9-V13 VanDerWaalsContact O-CG2 3.26Å; T9-V13 WeakPolarHBondContact O-CG2 3.47Å; T9-V13 PolarHBondContact O-N 3.49Å
10Q82.4Confident79.4Confident112 Ų112115.2 Ų115.252%0.52356%0.558SS.*Hα-helixtrans-60.4-38.5175.9-76.2174-19.500112.1R6 V7 V8 F14R6-Q10 WeakPolarHBondContact O-CB 3.21Å; R6-Q10 VanDerWaalsContact O-CG 3.29Å; R6-Q10 WeakPolarHBondContact O-CG 3.42Å; R6-Q10 PolarHBondContact O-N 2.92Å; V7-Q10 PolarHBondContact O-N 3.23Å; V8-Q10 PolarHBondContact O-N 3.28Å; Q10-F14 VanDerWaalsContact O-CB 3.24Å; Q10-F14 WeakPolarHBondContact O-CB 3.35Å; Q10-F14 PolarHBondContact O-N 3.14Å
11F85.4Confident79.4Confident123 Ų123116.4 Ų116.454%0.53956%0.557SS.*Hα-helixtrans-63.1-47.4176178-97.3000112.3V7 V8 T9 F14 L15V7-F11 WeakPolarHBondContact O-CB 3.43Å; V7-F11 PolarHBondContact O-N 2.99Å; V8-F11 WeakPolarHBondContact O-CB 3.22Å; V8-F11 PolarHBondContact O-N 3.36Å; T9-F11 VanDerWaalsContact C-N 3.28Å; T9-F11 PolarHBondContact O-N 3.44Å; F11-F14 WeakPolarHBondContact O-CB 3.38Å; F11-F14 PolarHBondContact O-N 3.02Å; F11-L15 PolarHBondContact O-N 2.92Å
12F85.8Confident80.1Confident126 Ų126114 Ų11455%0.55354%0.536SS*.Hα-helixtrans-68-39.3177.8-77.6-67.5000112.8V8 T9 F14 L15 Y16V8-F12 HydrophobicContact CG1-CD2 3.71Å; V8-F12 HydrophobicContact CG1-CE2 3.52Å; V8-F12 VanDerWaalsContact O-CD2 3.22Å; V8-F12 WeakPolarHBondContact O-CD2 3.3Å; V8-F12 PolarHBondContact O-N 2.97Å; T9-F12 PolarHBondContact O-N 2.86Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 3.34Å; F12-L15 PolarHBondContact O-N 2.94Å; F12-Y16 WeakPolarHBondContact O-CB 3.45Å; F12-Y16 PolarHBondContact O-N 2.86Å
13V81.9Confident80.5Confident80 Ų80106.5 Ų106.549%0.48551%0.514SS..Hα-helixtrans-60.8-43.9173.2170.10000110.5T9 L15 Y16 C17T9-V13 HydrophobicContact CG2-CG2 4.33Å; T9-V13 WeakPolarHBondContact O-CB 3.43Å; T9-V13 VanDerWaalsContact O-CG2 3.26Å; T9-V13 WeakPolarHBondContact O-CG2 3.47Å; T9-V13 PolarHBondContact O-N 3.49Å; V13-L15 PolarHBondContact O-N 3.48Å; V13-Y16 PolarHBondContact O-N 3.28Å; V13-C17 WeakPolarHBondContact O-CB 3.44Å; V13-C17 PolarHBondContact O-N 3.32Å; V13-C17 PolarHBondContact O-SG 2.95Å
14F81.4Confident80.7Confident113 Ų113103.4 Ų103.450%0.49650%0.502SS..Hα-helixtrans-60.7-44.9175.5172.3-101.6000112.3Q10 F11 F12 C17 K18Q10-F14 VanDerWaalsContact O-CB 3.24Å; Q10-F14 WeakPolarHBondContact O-CB 3.35Å; Q10-F14 PolarHBondContact O-N 3.14Å; F11-F14 WeakPolarHBondContact O-CB 3.38Å; F11-F14 PolarHBondContact O-N 3.02Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 3.34Å; F14-C17 PolarHBondContact O-N 3.32Å; F14-K18 HydrophobicContact CD1-CD 4.35Å; F14-K18 HydrophobicContact CE1-CD 3.69Å; F14-K18 HydrophobicContact CE1-CG 4.47Å; F14-K18 HydrophobicContact CE2-CD 4.39Å; F14-K18 HydrophobicContact CZ-CD 3.75Å; F14-K18 HydrophobicContact CZ-CG 4.36Å; F14-K18 VanDerWaalsContact CZ-NZ 3.29Å; F14-K18 WeakPolarHBondContact O-CB 3.35Å; F14-K18 PolarHBondContact O-N 2.94Å
15L78.9Confident80.7Confident82 Ų8298.6 Ų98.643%0.42948%0.481SS..Hα-helixtrans-63.1-45.3178-171.765.4000111.2F11 F12 V13 K18 C19F11-L15 PolarHBondContact O-N 2.92Å; F12-L15 PolarHBondContact O-N 2.94Å; V13-L15 PolarHBondContact O-N 3.48Å; L15-K18 WeakPolarHBondContact O-CB 3.33Å; L15-K18 PolarHBondContact O-N 3.23Å; L15-C19 PolarHBondContact O-N 3.22Å; L15-C19 PolarHBondContact O-SG 3.33Å; L15-C19 VanDerWaalsContact O-SG 3.32Å
16Y77.2Confident80.8Confident153 Ų15399.3 Ų99.360%0.648%0.479SS*.Hα-helixtrans-58.4-51175.8178.1-100.1000111.7F12 V13 K18 C19 L20F12-Y16 WeakPolarHBondContact O-CB 3.45Å; F12-Y16 PolarHBondContact O-N 2.86Å; V13-Y16 PolarHBondContact O-N 3.28Å; Y16-K18 VanDerWaalsContact C-N 3.28Å; Y16-K18 PolarHBondContact O-N 2.86Å; Y16-C19 PolarHBondContact O-N 3.43Å; Y16-C19 VanDerWaalsContact O-N 3.14Å; Y16-L20 HydrophobicContact CE1-CD1 4.07Å; Y16-L20 WeakPolarHBondContact O-CB 3.43Å; Y16-L20 PolarHBondContact O-N 2.91Å
17C82.2Confident80.9Confident68 Ų6894.1 Ų94.146%0.45947%0.467SS..Hα-helixtrans-58.9-38.8176.5-71.90000112V13 F14 W21V13-C17 WeakPolarHBondContact O-CB 3.44Å; V13-C17 PolarHBondContact O-N 3.32Å; V13-C17 PolarHBondContact O-SG 2.95Å; F14-C17 PolarHBondContact O-N 3.32Å; C17-W21 WeakPolarHBondContact O-CB 3.42Å; C17-W21 PolarHBondContact O-N 3.06Å
18K77.9Confident80.8Confident83 Ų8392.7 Ų92.736%0.36146%0.458SS..Hα-helixtrans-63.1-45.5174.5-93.7-170.5168.2176.10112.4F14 L15 Y16 R22F14-K18 HydrophobicContact CD1-CD 4.35Å; F14-K18 HydrophobicContact CE1-CD 3.69Å; F14-K18 HydrophobicContact CE1-CG 4.47Å; F14-K18 HydrophobicContact CE2-CD 4.39Å; F14-K18 HydrophobicContact CZ-CD 3.75Å; F14-K18 HydrophobicContact CZ-CG 4.36Å; F14-K18 VanDerWaalsContact CZ-NZ 3.29Å; F14-K18 WeakPolarHBondContact O-CB 3.35Å; F14-K18 PolarHBondContact O-N 2.94Å; L15-K18 WeakPolarHBondContact O-CB 3.33Å; L15-K18 PolarHBondContact O-N 3.23Å; Y16-K18 VanDerWaalsContact C-N 3.28Å; Y16-K18 PolarHBondContact O-N 2.86Å; K18-R22 VanDerWaalsContact O-CG 3.3Å; K18-R22 WeakPolarHBondContact O-CG 3.42Å; K18-R22 PolarHBondContact O-N 3.24Å
19C79.1Confident80.9Confident74 Ų7495.3 Ų95.350%0.546%0.463SS..Hα-helixtrans-65.1-46178.8-68.90000111.1L15 Y16 W21 R22 G23L15-C19 PolarHBondContact O-N 3.22Å; L15-C19 PolarHBondContact O-SG 3.33Å; L15-C19 VanDerWaalsContact O-SG 3.32Å; Y16-C19 PolarHBondContact O-N 3.43Å; Y16-C19 VanDerWaalsContact O-N 3.14Å; C19-W21 PolarHBondContact O-N 3.47Å; C19-R22 PolarHBondContact O-N 3.46Å; C19-G23 PolarHBondContact O-N 3.32Å
20L81.5Confident80.9Confident99 Ų9999 Ų9952%0.51847%0.472SS..Hα-helixtrans-61.1-44.3177.3-168.5121000111.6Y16 R22 G23 L24Y16-L20 HydrophobicContact CE1-CD1 4.07Å; Y16-L20 WeakPolarHBondContact O-CB 3.43Å; Y16-L20 PolarHBondContact O-N 2.91Å; L20-R22 VanDerWaalsContact C-N 3.35Å; L20-R22 PolarHBondContact O-N 3.2Å; L20-G23 PolarHBondContact O-N 3.48Å; L20-L24 WeakPolarHBondContact O-CB 3.2Å; L20-L24 PolarHBondContact O-N 3.09Å
21W79.2Confident81Confident141 Ų141102 Ų10253%0.53448%0.484SS..Hα-helixtrans-62-39.7176-174.7-121.4000112.7C17 C19 L24 K25C17-W21 WeakPolarHBondContact O-CB 3.42Å; C17-W21 PolarHBondContact O-N 3.06Å; C19-W21 PolarHBondContact O-N 3.47Å; W21-L24 HydrophobicContact CE3-CD2 4Å; W21-L24 HydrophobicContact CZ3-CD2 3.96Å; W21-L24 PolarHBondContact O-N 3.34Å; W21-K25 VanDerWaalsContact CE2-CE 3.48Å; W21-K25 WeakPolarHBondContact O-CG 3.08Å; W21-K25 PolarHBondContact O-N 3.06Å
22R79.8Confident80.9Confident156 Ų15699.4 Ų99.459%0.58948%0.479SS*.Hα-helixtrans-65.1-43.1174.5-74.3173.4177.1-172.1-0.3111.8K18 C19 L20 K25 F26K18-R22 VanDerWaalsContact O-CG 3.3Å; K18-R22 WeakPolarHBondContact O-CG 3.42Å; K18-R22 PolarHBondContact O-N 3.24Å; C19-R22 PolarHBondContact O-N 3.46Å; L20-R22 VanDerWaalsContact C-N 3.35Å; L20-R22 PolarHBondContact O-N 3.2Å; R22-K25 PolarHBondContact O-N 2.98Å; R22-F26 PolarHBondContact O-N 3.4Å
23G77.9Confident80.8Confident36 Ų3696.2 Ų96.237%0.37148%0.481SS..Hα-helixtrans-58.6-49.6173.400000111.5C19 L20 K25 F26 V27C19-G23 PolarHBondContact O-N 3.32Å; L20-G23 PolarHBondContact O-N 3.48Å; G23-K25 VanDerWaalsContact C-N 3.32Å; G23-K25 PolarHBondContact O-N 3.12Å; G23-F26 WeakPolarHBondContact O-CB 3.41Å; G23-F26 PolarHBondContact O-N 3.29Å; G23-F26 VanDerWaalsContact O-N 3.09Å; G23-V27 WeakPolarHBondContact O-CG2 3.25Å; G23-V27 PolarHBondContact O-N 2.72Å
24L80.1Confident81.1Confident86 Ų8698 Ų9845%0.4548%0.479SS..Hα-helixtrans-58.7-40.8177.2-174.766.3000112.3L20 W21 V27 T28L20-L24 WeakPolarHBondContact O-CB 3.2Å; L20-L24 PolarHBondContact O-N 3.09Å; W21-L24 HydrophobicContact CE3-CD2 4Å; W21-L24 HydrophobicContact CZ3-CD2 3.96Å; W21-L24 PolarHBondContact O-N 3.34Å; L24-V27 PolarHBondContact O-N 3.36Å; L24-T28 WeakPolarHBondContact O-CB 3.43Å; L24-T28 PolarHBondContact O-N 3.16Å; L24-T28 PolarHBondContact O-OG1 2.87Å
25K81.1Confident81.6Confident48 Ų4893 Ų9321%0.20946%0.458CS..Hα-helixtrans-61.8-41.8174.7-78.7-176.4-174.1-172.40112.7W21 R22 G23 T28 R29 E36W21-K25 VanDerWaalsContact CE2-CE 3.48Å; W21-K25 WeakPolarHBondContact O-CG 3.08Å; W21-K25 PolarHBondContact O-N 3.06Å; R22-K25 PolarHBondContact O-N 2.98Å; G23-K25 VanDerWaalsContact C-N 3.32Å; G23-K25 PolarHBondContact O-N 3.12Å; K25-T28 WeakPolarHBondContact CA-OG1 3.36Å; K25-T28 PolarHBondContact O-OG1 2.98Å; K25-T28 VanDerWaalsContact O-OG1 3.13Å; K25-R29 WeakPolarHBondContact O-CB 3.12Å; K25-R29 PolarHBondContact O-N 3.43Å; K25-E36 WeakPolarHBondContact CE-OE1 3.46Å; K25-E36 WeakPolarHBondContact CE-OE2 3.36Å; K25-E36 IonicContact NZ-OE1 3.68Å; K25-E36 PolarHBondContact NZ-OE1 3.15Å; K25-E36 IonicContact NZ-OE2 2.59Å; K25-E36 PolarHBondContact NZ-OE2 3Å
26F79.6Confident82.2Confident132 Ų13291.2 Ų91.258%0.57945%0.448SS*.Hα-helixtrans-65.1-49.3177.7175.6-96.1000110.8R22 G23 R29 K30R22-F26 PolarHBondContact O-N 3.4Å; G23-F26 WeakPolarHBondContact O-CB 3.41Å; G23-F26 PolarHBondContact O-N 3.29Å; G23-F26 VanDerWaalsContact O-N 3.09Å; F26-R29 PolarHBondContact O-N 2.91Å; F26-K30 HydrophobicContact CE1-CG 4.07Å; F26-K30 HydrophobicContact CZ-CG 4.09Å; F26-K30 PolarHBondContact O-N 3.09Å
27V80.1Confident83Confident67 Ų6784.1 Ų84.141%0.40642%0.42SS..Hα-helixtrans-58-52.5177.3172.40000110.5G23 L24 R29 K30 F31G23-V27 WeakPolarHBondContact O-CG2 3.25Å; G23-V27 PolarHBondContact O-N 2.72Å; L24-V27 PolarHBondContact O-N 3.36Å; V27-R29 VanDerWaalsContact C-N 3.29Å; V27-R29 PolarHBondContact O-N 2.91Å; V27-K30 WeakPolarHBondContact O-CB 3.34Å; V27-K30 PolarHBondContact O-N 3.47Å; V27-F31 HydrophobicContact CG1-CD2 3.6Å; V27-F31 HydrophobicContact CG1-CE2 3.63Å; V27-F31 VanDerWaalsContact O-CD2 3.31Å; V27-F31 WeakPolarHBondContact O-CD2 3.45Å; V27-F31 PolarHBondContact O-N 2.96Å
28T81.1Confident83.6Confident41 Ų4181.6 Ų81.625%0.25240%0.401SS..Hα-helixtrans-60-36177.438.90000113L24 K25 F31 T32 R39L24-T28 WeakPolarHBondContact O-CB 3.43Å; L24-T28 PolarHBondContact O-N 3.16Å; L24-T28 PolarHBondContact O-OG1 2.87Å; K25-T28 WeakPolarHBondContact CA-OG1 3.36Å; K25-T28 PolarHBondContact O-OG1 2.98Å; K25-T28 VanDerWaalsContact O-OG1 3.13Å; T28-F31 PolarHBondContact O-N 2.95Å; T28-T32 WeakPolarHBondContact O-CB 3.49Å; T28-T32 WeakPolarHBondContact O-CG2 3.49Å; T28-T32 PolarHBondContact O-N 3.01Å; T28-T32 PolarHBondContact O-OG1 3.33Å; T28-R39 PolarHBondContact OG1-NH2 3.37Å
29R84.9Confident84.3Confident102 Ų10280.2 Ų80.239%0.38539%0.394SS..Hα-helixtrans-65.2-39.8174.2-174.4176.7-175.5168.86.9111.6K25 F26 V27 G33 K88K25-R29 WeakPolarHBondContact O-CB 3.12Å; K25-R29 PolarHBondContact O-N 3.43Å; F26-R29 PolarHBondContact O-N 2.91Å; V27-R29 VanDerWaalsContact C-N 3.29Å; V27-R29 PolarHBondContact O-N 2.91Å; R29-G33 VanDerWaalsContact O-CA 3.27Å; R29-G33 WeakPolarHBondContact O-CA 3.35Å; R29-G33 PolarHBondContact O-N 3.15Å; R29-K88 PolarHBondContact NH2-O 3.4Å
30K82.1Confident85.1Confident156 Ų15677.4 Ų77.468%0.67837%0.374SS*.Hα-helixtrans-64.6-41.7176.3-77.8-72.1-172.3173.60112.2F26 V27F26-K30 HydrophobicContact CE1-CG 4.07Å; F26-K30 HydrophobicContact CZ-CG 4.09Å; F26-K30 PolarHBondContact O-N 3.09Å; V27-K30 WeakPolarHBondContact O-CB 3.34Å; V27-K30 PolarHBondContact O-N 3.47Å
31F84.3Confident85.7Confident176 Ų17672.9 Ų72.977%0.77235%0.35SS*.Hα-helixtrans-76.5-39.6180-81.5-76.4000114V27 T28V27-F31 HydrophobicContact CG1-CD2 3.6Å; V27-F31 HydrophobicContact CG1-CE2 3.63Å; V27-F31 VanDerWaalsContact O-CD2 3.31Å; V27-F31 WeakPolarHBondContact O-CD2 3.45Å; V27-F31 PolarHBondContact O-N 2.96Å; T28-F31 PolarHBondContact O-N 2.95Å
32T82.6Confident86.3Confident69 Ų6970.4 Ų70.442%0.42334%0.342SS..Hα-helixtrans-97.1-13.5-173.464.30000113.9T28 R34T28-T32 WeakPolarHBondContact O-CB 3.49Å; T28-T32 WeakPolarHBondContact O-CG2 3.49Å; T28-T32 PolarHBondContact O-N 3.01Å; T28-T32 PolarHBondContact O-OG1 3.33Å; T32-R34 PolarHBondContact O-N 2.71Å; T32-R34 PolarHBondContact OG1-N 2.87Å; T32-R34 PolarHBondContact OG1-O 2.97Å
33G84.5Confident86.9Confident59 Ų5967.6 Ų67.661%0.60835%0.345SS*.SBendtrans67.8-9.9-16800000114.5R29R29-G33 VanDerWaalsContact O-CA 3.27Å; R29-G33 WeakPolarHBondContact O-CA 3.35Å; R29-G33 PolarHBondContact O-N 3.15Å
34R87.8Confident87.7Confident118 Ų11866.6 Ų66.645%0.44533%0.332SS..  trans-97.1139.6-173.1-66.2174.5-178.1-175.4-0.2111.3T32 Q38 R39T32-R34 PolarHBondContact O-N 2.71Å; T32-R34 PolarHBondContact OG1-N 2.87Å; T32-R34 PolarHBondContact OG1-O 2.97Å; R34-Q38 HydrophobicContact CB-CB 4Å; R34-Q38 HydrophobicContact CG-CB 4.39Å; R34-R39 HydrophobicContact CB-CG 3.99Å; R34-R39 PolarHBondContact O-NH1 3.04Å
35C91Very high88.4Confident7 Ų771.2 Ų71.25%0.04735%0.348CS..  trans-75.9170.3167.376.20000111.6L37 Q38 R39C35-L37 PolarHBondContact O-N 3.11Å; C35-Q38 WeakPolarHBondContact O-CB 3.42Å; C35-Q38 PolarHBondContact O-N 3.25Å; C35-Q38 PolarHBondContact SG-OE1 3.42Å; C35-R39 WeakPolarHBondContact O-CG 3.29Å; C35-R39 PolarHBondContact O-N 3.11Å
36E92.1Very high89Confident45 Ų4573.9 Ų73.921%0.2137%0.371CS..Hα-helixtrans-59.1-42.5179.9179.1176.4-153.600113.2K25 Q38 R39 I40 S57K25-E36 WeakPolarHBondContact CE-OE1 3.46Å; K25-E36 WeakPolarHBondContact CE-OE2 3.36Å; K25-E36 IonicContact NZ-OE1 3.68Å; K25-E36 PolarHBondContact NZ-OE1 3.15Å; K25-E36 IonicContact NZ-OE2 2.59Å; K25-E36 PolarHBondContact NZ-OE2 3Å; E36-Q38 PolarHBondContact O-N 3.01Å; E36-R39 PolarHBondContact O-N 3.23Å; E36-I40 HydrophobicContact CG-CD1 3.8Å; E36-I40 HydrophobicContact CG-CG1 4.43Å; E36-I40 VanDerWaalsContact O-CG1 3.32Å; E36-I40 WeakPolarHBondContact O-CG1 3.43Å; E36-I40 PolarHBondContact O-N 3.44Å; E36-S57 PolarHBondContact OE2-OG 2.74Å
37L94.4Very high89.7Confident3 Ų368.1 Ų68.12%0.01635%0.348CS..Hα-helixtrans-61.7-44178.5-68178000111.5C35 R39 I40 C41 I54 L58 I84 L102C35-L37 PolarHBondContact O-N 3.11Å; L37-R39 PolarHBondContact O-N 3.29Å; L37-I40 PolarHBondContact O-N 2.93Å; L37-C41 PolarHBondContact O-N 3.35Å; L37-C41 PolarHBondContact O-SG 3.1Å; L37-C41 VanDerWaalsContact O-SG 3.4Å; L37-I54 HydrophobicContact CD2-CG1 4.46Å; L37-I54 HydrophobicContact CD2-CG2 4.37Å; L37-L58 HydrophobicContact CD1-CD2 4.38Å; L37-L58 HydrophobicContact CD2-CD2 4.39Å; L37-I84 HydrophobicContact CD1-CG2 3.77Å; L37-L102 HydrophobicContact CB-CD2 4.19Å; L37-L102 HydrophobicContact CD1-CD2 4.41Å; L37-L102 HydrophobicContact CD2-CD2 4.25Å
38Q94.3Very high90.4Very high16 Ų1665 Ų658%0.07533%0.329CS..Hα-helixtrans-56.8-48.5172.4-77.7167.4-62.100111.6R34 C35 E36 I40 C41 Y42 I90 N95 L98R34-Q38 HydrophobicContact CB-CB 4Å; R34-Q38 HydrophobicContact CG-CB 4.39Å; C35-Q38 WeakPolarHBondContact O-CB 3.42Å; C35-Q38 PolarHBondContact O-N 3.25Å; C35-Q38 PolarHBondContact SG-OE1 3.42Å; E36-Q38 PolarHBondContact O-N 3.01Å; Q38-I40 VanDerWaalsContact C-N 3.32Å; Q38-I40 PolarHBondContact O-N 2.89Å; Q38-C41 PolarHBondContact O-N 3.38Å; Q38-Y42 HydrophobicContact CB-CD2 4.22Å; Q38-Y42 HydrophobicContact CB-CE2 4Å; Q38-Y42 HydrophobicContact CG-CE2 4.32Å; Q38-Y42 WeakPolarHBondContact O-CB 3.49Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.37Å; Q38-Y42 PolarHBondContact O-N 3.37Å; Q38-I90 HydrophobicContact CG-CD1 4.15Å; Q38-N95 PolarHBondContact NE2-OD1 3.42Å; Q38-L98 HydrophobicContact CG-CD1 4.16Å; Q38-L98 HydrophobicContact CG-CD2 3.55Å; Q38-L98 HydrophobicContact CG-CG 4.49Å
39R93.7Very high91.2Very high54 Ų5468.6 Ų68.620%0.20434%0.338CS..Hα-helixtrans-62-39.5179.2-67.3-171.3-60.6-104.810.5112.1T28 R34 C35 E36 L37 S43T28-R39 PolarHBondContact OG1-NH2 3.37Å; R34-R39 HydrophobicContact CB-CG 3.99Å; R34-R39 PolarHBondContact O-NH1 3.04Å; C35-R39 WeakPolarHBondContact O-CG 3.29Å; C35-R39 PolarHBondContact O-N 3.11Å; E36-R39 PolarHBondContact O-N 3.23Å; L37-R39 PolarHBondContact O-N 3.29Å; R39-S43 VanDerWaalsContact O-CB 3.25Å; R39-S43 WeakPolarHBondContact O-CB 3.45Å; R39-S43 PolarHBondContact O-N 2.9Å; R39-S43 PolarHBondContact O-OG 2.89Å; R39-S43 VanDerWaalsContact O-OG 3.12Å
40I95.3Very high91.7Very high15 Ų1565 Ų658%0.07733%0.325CS..Hα-helixtrans-65-49.6177.3-66.1162.7000110.6E36 L37 Q38 Y42 S43 N44 R50 K53 I54E36-I40 HydrophobicContact CG-CD1 3.8Å; E36-I40 HydrophobicContact CG-CG1 4.43Å; E36-I40 VanDerWaalsContact O-CG1 3.32Å; E36-I40 WeakPolarHBondContact O-CG1 3.43Å; E36-I40 PolarHBondContact O-N 3.44Å; L37-I40 PolarHBondContact O-N 2.93Å; Q38-I40 VanDerWaalsContact C-N 3.32Å; Q38-I40 PolarHBondContact O-N 2.89Å; I40-Y42 PolarHBondContact O-N 2.91Å; I40-S43 PolarHBondContact O-N 3.26Å; I40-N44 WeakPolarHBondContact O-CB 3.24Å; I40-N44 PolarHBondContact O-N 3.38Å; I40-N44 PolarHBondContact O-ND2 2.89Å; I40-R50 HydrophobicContact CG2-CG 4.28Å; I40-K53 HydrophobicContact CD1-CB 4.07Å; I40-K53 HydrophobicContact CG1-CB 4.16Å; I40-K53 HydrophobicContact CG2-CB 3.62Å; I40-K53 HydrophobicContact CG2-CD 4.4Å; I40-I54 HydrophobicContact CB-CG1 4.46Å; I40-I54 HydrophobicContact CG2-CD1 4.4Å; I40-I54 HydrophobicContact CG2-CG1 3.75Å
41C94.4Very high92.5Very high4 Ų457.6 Ų57.63%0.02729%0.293CS..Hα-helixtrans-63.6-39.2-178.5-66.30000112.6L37 Q38 R50 L98L37-C41 PolarHBondContact O-N 3.35Å; L37-C41 PolarHBondContact O-SG 3.1Å; L37-C41 VanDerWaalsContact O-SG 3.4Å; Q38-C41 PolarHBondContact O-N 3.38Å; C41-R50 PolarHBondContact O-NH2 3.3Å; C41-L98 HydrophobicContact CB-CD1 3.55Å
42Y92Very high93.1Very high89 Ų8951.8 Ų51.835%0.34927%0.269SS..Hα-helixtrans-75.9-32.3-179.7-67.1-45.9000114.3Q38 I40 N95Q38-Y42 HydrophobicContact CB-CD2 4.22Å; Q38-Y42 HydrophobicContact CB-CE2 4Å; Q38-Y42 HydrophobicContact CG-CE2 4.32Å; Q38-Y42 WeakPolarHBondContact O-CB 3.49Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.37Å; Q38-Y42 PolarHBondContact O-N 3.37Å; I40-Y42 PolarHBondContact O-N 2.91Å; Y42-N95 WeakPolarHBondContact OH-CB 3.26Å; Y42-N95 PolarHBondContact OH-OD1 3.45Å
43S92.7Very high93.8Very high96 Ų9653 Ų5367%0.67127%0.268SS*.Hα-helixtrans-94.2-1.6-174.9-58.60000114.2R39 I40R39-S43 VanDerWaalsContact O-CB 3.25Å; R39-S43 WeakPolarHBondContact O-CB 3.45Å; R39-S43 PolarHBondContact O-N 2.9Å; R39-S43 PolarHBondContact O-OG 2.89Å; R39-S43 VanDerWaalsContact O-OG 3.12Å; I40-S43 PolarHBondContact O-N 3.26Å
44N94.3Very high94.5Very high15 Ų1550.2 Ų50.28%0.0824%0.24CC..SBendtrans-134.5133.8-177.6-55-92.8000109.1I40 R49 R50 K53I40-N44 WeakPolarHBondContact O-CB 3.24Å; I40-N44 PolarHBondContact O-N 3.38Å; I40-N44 PolarHBondContact O-ND2 2.89Å; N44-R49 WeakPolarHBondContact OD1-CD 3.18Å; N44-R49 WeakPolarHBondContact OD1-CG 3.38Å; N44-R50 HydrophobicContact CB-CB 3.91Å; N44-R50 HydrophobicContact CB-CG 4.46Å; N44-R50 PolarHBondContact O-NE 3.49Å; N44-R50 PolarHBondContact O-NH2 2.93Å; N44-K53 PolarHBondContact OD1-NZ 3.02Å
45K93.2Very high94.9Very high183 Ų18345.1 Ų45.180%0.79622%0.221SC*.  trans-63.5160.4172.1-65.9-175.7179.1-177.50111R50K45-R50 VanDerWaalsContact O-CB 3.29Å; K45-R50 WeakPolarHBondContact O-CB 3.38Å; K45-R50 PolarHBondContact O-NE 3.45Å
46P93.9Very high95.2Very high105 Ų10547.4 Ų47.468%0.68224%0.237SC*.SBendtrans-51.6144.9169.2-23.133.8000111
47G94.2Very high95.4Very high11 Ų1145.6 Ų45.611%0.11323%0.229CC..SBendtrans127.8-175.2-176.400000114.1R49 R50 T51 Y253 N254G47-R49 VanDerWaalsContact C-N 3.3Å; G47-R49 PolarHBondContact O-N 2.84Å; G47-R50 PolarHBondContact O-N 2.6Å; G47-R50 VanDerWaalsContact O-N 3.11Å; G47-T51 PolarHBondContact O-N 2.74Å; G47-T51 PolarHBondContact O-OG1 3.13Å; G47-Y253 CarbonylContact C-O 3.58Å; G47-Y253 VanDerWaalsContact CA-O 3.29Å; G47-Y253 WeakPolarHBondContact CA-O 3.46Å; G47-N254 WeakPolarHBondContact CA-OD1 3.37Å
48A96.3Very high95.6Very high0 Ų045.7 Ų45.70%023%0.23CC..Hα-helixtrans-55.7-40.3-17500000113.8R50 T51 L52 T250 N254A48-R50 VanDerWaalsContact C-N 3.3Å; A48-R50 PolarHBondContact O-N 2.95Å; A48-T51 PolarHBondContact O-N 3.45Å; A48-L52 HydrophobicContact CB-CD1 4.27Å; A48-L52 VanDerWaalsContact O-CB 3.23Å; A48-L52 WeakPolarHBondContact O-CB 3.11Å; A48-L52 VanDerWaalsContact O-CG 3.24Å; A48-L52 WeakPolarHBondContact O-CG 3.07Å; A48-L52 PolarHBondContact O-N 2.85Å; A48-T250 HydrophobicContact CB-CG2 4.46Å; A48-T250 VanDerWaalsContact CB-O 3.32Å; A48-T250 WeakPolarHBondContact CB-O 3.29Å; A48-N254 WeakPolarHBondContact CB-OD1 3.3Å; A48-N254 PolarHBondContact N-OD1 3.3Å
49R96.6Very high95.7Very high118 Ų11850.1 Ų50.145%0.44525%0.246SC..Hα-helixtrans-58.2-42.4179.5-172.7177.5-80.3-168.11112.2N44 G47 K53 P309 D310N44-R49 WeakPolarHBondContact OD1-CD 3.18Å; N44-R49 WeakPolarHBondContact OD1-CG 3.38Å; G47-R49 VanDerWaalsContact C-N 3.3Å; G47-R49 PolarHBondContact O-N 2.84Å; R49-K53 WeakPolarHBondContact O-CD 3.44Å; R49-K53 VanDerWaalsContact O-CG 3.27Å; R49-K53 WeakPolarHBondContact O-CG 3.34Å; R49-P309 HydrophobicContact CB-CB 4.16Å; R49-D310 IonicContact NH2-OD2 2.77Å
50R97Very high95.6Very high27 Ų2755.1 Ų55.110%0.10227%0.266CS..Hα-helixtrans-72.3-50.5178-179.7-170.3-70-171.9-7.1110I40 C41 N44 K45 G47 A48 K53 I54 S101I40-R50 HydrophobicContact CG2-CG 4.28Å; C41-R50 PolarHBondContact O-NH2 3.3Å; N44-R50 HydrophobicContact CB-CB 3.91Å; N44-R50 HydrophobicContact CB-CG 4.46Å; N44-R50 PolarHBondContact O-NE 3.49Å; N44-R50 PolarHBondContact O-NH2 2.93Å; K45-R50 VanDerWaalsContact O-CB 3.29Å; K45-R50 WeakPolarHBondContact O-CB 3.38Å; K45-R50 PolarHBondContact O-NE 3.45Å; G47-R50 PolarHBondContact O-N 2.6Å; G47-R50 VanDerWaalsContact O-N 3.11Å; A48-R50 VanDerWaalsContact C-N 3.3Å; A48-R50 PolarHBondContact O-N 2.95Å; R50-K53 PolarHBondContact O-N 3.01Å; R50-I54 HydrophobicContact CG-CD1 3.76Å; R50-I54 WeakPolarHBondContact O-CG1 3.31Å; R50-I54 PolarHBondContact O-N 3.27Å; R50-S101 VanDerWaalsContact NH1-CB 3.31Å; R50-S101 PolarHBondContact NH1-OG 3.34Å
51T97.8Very high95.5Very high0 Ų055.3 Ų55.30%027%0.268CS..Hα-helixtrans-66.5-41.8-172.7-58.40000112.6G47 A48 K53 I54 E55 S105 Q108 I109 Y253G47-T51 PolarHBondContact O-N 2.74Å; G47-T51 PolarHBondContact O-OG1 3.13Å; A48-T51 PolarHBondContact O-N 3.45Å; T51-K53 VanDerWaalsContact C-N 3.3Å; T51-K53 PolarHBondContact O-N 2.96Å; T51-I54 PolarHBondContact O-N 3.26Å; T51-E55 WeakPolarHBondContact O-CB 3.28Å; T51-E55 PolarHBondContact O-N 3.18Å; T51-S105 WeakPolarHBondContact CG2-O 3.45Å; T51-S105 WeakPolarHBondContact OG1-CB 3.18Å; T51-S105 PolarHBondContact OG1-OG 2.64Å; T51-Q108 HydrophobicContact CG2-CB 3.95Å; T51-Q108 PolarHBondContact OG1-OE1 3.21Å; T51-I109 HydrophobicContact CG2-CD1 4.1Å; T51-I109 HydrophobicContact CG2-CG1 3.72Å; T51-Y253 HydrophobicContact CG2-CD1 4.14Å; T51-Y253 HydrophobicContact CG2-CD2 3.48Å; T51-Y253 VanDerWaalsContact CG2-CD2 3.48Å; T51-Y253 HydrophobicContact CG2-CE1 4.17Å; T51-Y253 HydrophobicContact CG2-CE2 3.51Å; T51-Y253 HydrophobicContact CG2-CG 3.81Å
52L97.6Very high95.4Very high53 Ų5362.5 Ų62.528%0.27730%0.299SS..Hα-helixtrans-62-36.6174.9-71.3167.7000112.6A48 S56 K249 Y253A48-L52 HydrophobicContact CB-CD1 4.27Å; A48-L52 VanDerWaalsContact O-CB 3.23Å; A48-L52 WeakPolarHBondContact O-CB 3.11Å; A48-L52 VanDerWaalsContact O-CG 3.24Å; A48-L52 WeakPolarHBondContact O-CG 3.07Å; A48-L52 PolarHBondContact O-N 2.85Å; L52-S56 WeakPolarHBondContact O-CB 3.3Å; L52-S56 PolarHBondContact O-N 3.49Å; L52-S56 PolarHBondContact O-OG 3.42Å; L52-K249 HydrophobicContact CD2-CB 4.01Å; L52-K249 HydrophobicContact CD2-CD 4.04Å; L52-Y253 HydrophobicContact CD2-CD2 4.29Å; L52-Y253 HydrophobicContact CD2-CE2 3.94Å; L52-Y253 HydrophobicContact CG-CD2 4.12Å; L52-Y253 HydrophobicContact CG-CE2 4.21Å
53K97.6Very high95.5Very high94 Ų9461.9 Ų61.941%0.40930%0.297SS..Hα-helixtrans-70.4-41175.9-74.5178.7-177.9178.80111.4I40 N44 R49 R50 T51 S57I40-K53 HydrophobicContact CD1-CB 4.07Å; I40-K53 HydrophobicContact CG1-CB 4.16Å; I40-K53 HydrophobicContact CG2-CB 3.62Å; I40-K53 HydrophobicContact CG2-CD 4.4Å; N44-K53 PolarHBondContact OD1-NZ 3.02Å; R49-K53 WeakPolarHBondContact O-CD 3.44Å; R49-K53 VanDerWaalsContact O-CG 3.27Å; R49-K53 WeakPolarHBondContact O-CG 3.34Å; R50-K53 PolarHBondContact O-N 3.01Å; T51-K53 VanDerWaalsContact C-N 3.3Å; T51-K53 PolarHBondContact O-N 2.96Å; K53-S57 VanDerWaalsContact O-CB 3.3Å; K53-S57 WeakPolarHBondContact O-CB 3.37Å; K53-S57 PolarHBondContact O-N 2.88Å
54I97.6Very high95.7Very high2 Ų262.7 Ų62.71%0.0129%0.29CS..Hα-helixtrans-62.4-50173.7-71.8167.2000110L37 I40 R50 T51 S56 S57 L58 L102 S105 I109L37-I54 HydrophobicContact CD2-CG1 4.46Å; L37-I54 HydrophobicContact CD2-CG2 4.37Å; I40-I54 HydrophobicContact CB-CG1 4.46Å; I40-I54 HydrophobicContact CG2-CD1 4.4Å; I40-I54 HydrophobicContact CG2-CG1 3.75Å; R50-I54 HydrophobicContact CG-CD1 3.76Å; R50-I54 WeakPolarHBondContact O-CG1 3.31Å; R50-I54 PolarHBondContact O-N 3.27Å; T51-I54 PolarHBondContact O-N 3.26Å; I54-S56 VanDerWaalsContact C-N 3.29Å; I54-S56 PolarHBondContact O-N 2.89Å; I54-S57 WeakPolarHBondContact O-CB 3.27Å; I54-S57 PolarHBondContact O-N 3.35Å; I54-L58 HydrophobicContact CG2-CD1 3.85Å; I54-L58 HydrophobicContact CG2-CG 4.16Å; I54-L58 WeakPolarHBondContact O-CG 3.39Å; I54-L58 PolarHBondContact O-N 3.5Å; I54-L102 HydrophobicContact CD1-CD2 4.04Å; I54-L102 HydrophobicContact CG1-CD2 4.44Å; I54-S105 VanDerWaalsContact CD1-CB 3.46Å; I54-S105 WeakPolarHBondContact CD1-OG 3.43Å; I54-I109 HydrophobicContact CG2-CD1 4.28Å
55E97.9Very high95.8Very high11 Ų1164.8 Ų64.85%0.05130%0.301CS..Hα-helixtrans-54.6-46.4178.6-164.5-169167.500111.3T51 L58 R59 L70 I109 K249T51-E55 WeakPolarHBondContact O-CB 3.28Å; T51-E55 PolarHBondContact O-N 3.18Å; E55-L58 PolarHBondContact O-N 2.64Å; E55-R59 VanDerWaalsContact O-CB 3.28Å; E55-R59 WeakPolarHBondContact O-CB 3.41Å; E55-R59 PolarHBondContact O-N 3.25Å; E55-R59 IonicContact OE1-CZ 3.75Å; E55-R59 IonicContact OE1-NH1 3.16Å; E55-R59 IonicContact OE1-NH2 2.84Å; E55-R59 PolarHBondContact OE1-NH2 3.47Å; E55-L70 HydrophobicContact CG-CD2 3.83Å; E55-I109 HydrophobicContact CB-CD1 3.66Å; E55-I109 HydrophobicContact CB-CG1 4.07Å; E55-I109 HydrophobicContact CG-CD1 3.99Å; E55-I109 HydrophobicContact CG-CG1 4.1Å; E55-I109 HydrophobicContact CG-CG2 4.25Å; E55-K249 IonicContact OE1-NZ 2.65Å; E55-K249 PolarHBondContact OE1-NZ 3.17Å; E55-K249 IonicContact OE2-NZ 2.8Å; E55-K249 PolarHBondContact OE2-NZ 3.04Å
56S96.9Very high96Very high54 Ų5456.2 Ų56.238%0.37826%0.263SS..Hα-helixtrans-64-42.4176.7-61.60000112.5L52 I54 R59 Y60L52-S56 WeakPolarHBondContact O-CB 3.3Å; L52-S56 PolarHBondContact O-N 3.49Å; L52-S56 PolarHBondContact O-OG 3.42Å; I54-S56 VanDerWaalsContact C-N 3.29Å; I54-S56 PolarHBondContact O-N 2.89Å; S56-R59 PolarHBondContact O-N 2.88Å; S56-Y60 WeakPolarHBondContact O-CD2 3.35Å; S56-Y60 PolarHBondContact O-N 2.95Å
57S96.2Very high96.2Very high8 Ų856 Ų566%0.05625%0.249CC..Hα-helixtrans-61.1-44177.21770000111.8E36 K53 I54 S61E36-S57 PolarHBondContact OE2-OG 2.74Å; K53-S57 VanDerWaalsContact O-CB 3.3Å; K53-S57 WeakPolarHBondContact O-CB 3.37Å; K53-S57 PolarHBondContact O-N 2.88Å; I54-S57 WeakPolarHBondContact O-CB 3.27Å; I54-S57 PolarHBondContact O-N 3.35Å; S57-S61 PolarHBondContact O-N 3.08Å
58L97.3Very high96.3Very high4 Ų458.3 Ų58.32%0.02126%0.263CS..Hα-helixtrans-66.4-50176.7-67.6-179.1000111.4L37 I54 E55 Y60 S61 L66 R67 L70 I84 L106L37-L58 HydrophobicContact CD1-CD2 4.38Å; L37-L58 HydrophobicContact CD2-CD2 4.39Å; I54-L58 HydrophobicContact CG2-CD1 3.85Å; I54-L58 HydrophobicContact CG2-CG 4.16Å; I54-L58 WeakPolarHBondContact O-CG 3.39Å; I54-L58 PolarHBondContact O-N 3.5Å; E55-L58 PolarHBondContact O-N 2.64Å; L58-Y60 VanDerWaalsContact C-N 3.3Å; L58-Y60 PolarHBondContact O-N 2.76Å; L58-S61 WeakPolarHBondContact O-CB 3.17Å; L58-S61 PolarHBondContact O-N 3.42Å; L58-S61 VanDerWaalsContact O-N 3.12Å; L58-L66 WeakPolarHBondContact CB-O 3.31Å; L58-L66 HydrophobicContact CD2-CB 3.87Å; L58-L66 HydrophobicContact CD2-CD1 4.4Å; L58-L66 HydrophobicContact CD2-CD2 3.94Å; L58-L66 HydrophobicContact CD2-CG 4.27Å; L58-R67 WeakPolarHBondContact O-CG 3.4Å; L58-L70 HydrophobicContact CB-CD1 4.37Å; L58-L70 HydrophobicContact CB-CD2 3.81Å; L58-L70 HydrophobicContact CB-CG 4.04Å; L58-L70 HydrophobicContact CD1-CD2 3.88Å; L58-I84 HydrophobicContact CD2-CD1 4.5Å; L58-L106 HydrophobicContact CD1-CD1 4.19Å
59R96.4Very high96.4Very high110 Ų11058.3 Ų58.342%0.41526%0.264SS..Hα-helixtrans-56.4-41.3-177.7-178.9172.3-73.3145.77113E55 S56 L70E55-R59 VanDerWaalsContact O-CB 3.28Å; E55-R59 WeakPolarHBondContact O-CB 3.41Å; E55-R59 PolarHBondContact O-N 3.25Å; E55-R59 IonicContact OE1-CZ 3.75Å; E55-R59 IonicContact OE1-NH1 3.16Å; E55-R59 IonicContact OE1-NH2 2.84Å; E55-R59 PolarHBondContact OE1-NH2 3.47Å; S56-R59 PolarHBondContact O-N 2.88Å; R59-L70 HydrophobicContact CB-CD1 3.73Å; R59-L70 HydrophobicContact CG-CD1 4.42Å
60Y93.1Very high96.4Very high159 Ų15953.4 Ų53.462%0.62425%0.246SC*.THydrogen-bonded Turntrans-10013.9-176.8-58.6-61.1000113.6S56 L58S56-Y60 WeakPolarHBondContact O-CD2 3.35Å; S56-Y60 PolarHBondContact O-N 2.95Å; L58-Y60 VanDerWaalsContact C-N 3.3Å; L58-Y60 PolarHBondContact O-N 2.76Å
61S93.2Very high96.3Very high18 Ų1855.4 Ų55.413%0.12627%0.265CS..  trans-65.7147.6176.3178.10000111.9S57 L58 Y63 L66 R67S57-S61 PolarHBondContact O-N 3.08Å; L58-S61 WeakPolarHBondContact O-CB 3.17Å; L58-S61 PolarHBondContact O-N 3.42Å; L58-S61 VanDerWaalsContact O-N 3.12Å; S61-Y63 VanDerWaalsContact C-N 3.28Å; S61-Y63 PolarHBondContact OG-N 3.26Å; S61-L66 WeakPolarHBondContact OG-CB 3.5Å; S61-L66 WeakPolarHBondContact OG-CD1 3.39Å; S61-R67 WeakPolarHBondContact O-CD 3.46Å; S61-R67 PolarHBondContact O-NE 3.08Å
62K90.9Very high96.3Very high155 Ų15556.8 Ų56.867%0.67427%0.273SS*.SBendtrans-74.5-18.817068.9174.8-174.5171.20113.5
63Y94.6Very high96.1Very high76 Ų7659.8 Ų59.830%0.29829%0.285SS..SBendtrans-90.3128.7-178-62.5-81.7000109.5S61 L65 L66 R67 L87S61-Y63 VanDerWaalsContact C-N 3.28Å; S61-Y63 PolarHBondContact OG-N 3.26Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-L65 PolarHBondContact O-N 3.06Å; Y63-L66 HydrophobicContact CD2-CD1 4.37Å; Y63-L66 PolarHBondContact O-N 3.33Å; Y63-R67 PolarHBondContact O-N 2.99Å; Y63-L87 HydrophobicContact CD1-CD1 3.84Å; Y63-L87 HydrophobicContact CD1-CD2 3.99Å; Y63-L87 HydrophobicContact CD1-CG 4.3Å; Y63-L87 HydrophobicContact CD2-CD2 4.39Å; Y63-L87 HydrophobicContact CE1-CD1 3.94Å; Y63-L87 HydrophobicContact CG-CD1 4.5Å; Y63-L87 HydrophobicContact CG-CD2 3.82Å; Y63-L87 HydrophobicContact CG-CG 4.49Å
64E96.6Very high95.9Very high114 Ų11456.6 Ų56.653%0.53327%0.274SS..Hα-helixtrans-57.9-46.2176.9-170.258.3-135.900111.4L66 R67 S68E64-L66 PolarHBondContact O-N 3.35Å; E64-L66 VanDerWaalsContact O-N 3.11Å; E64-R67 CarbonylContact O-C 3.6Å; E64-R67 WeakPolarHBondContact O-CA 3.24Å; E64-R67 WeakPolarHBondContact O-CB 3.25Å; E64-R67 PolarHBondContact O-N 2.84Å; E64-R67 IonicContact OE2-CZ 2.98Å; E64-R67 IonicContact OE2-NE 3.08Å; E64-R67 IonicContact OE2-NH1 3.34Å; E64-R67 PolarHBondContact OE2-NH1 3.16Å; E64-R67 IonicContact OE2-NH2 3.37Å; E64-R67 PolarHBondContact OE2-NH2 3.41Å; E64-S68 PolarHBondContact O-N 2.81Å; E64-S68 PolarHBondContact O-OG 2.91Å
65L97.1Very high95.8Very high59 Ų5962.6 Ų62.631%0.30931%0.306SS..Hα-helixtrans-50.5-40.1178.2-170146.1000113.8Y63 S68 A69 D83 I84 L87Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-L65 PolarHBondContact O-N 3.06Å; L65-S68 WeakPolarHBondContact CA-OG 3.46Å; L65-S68 PolarHBondContact O-OG 3.08Å; L65-A69 PolarHBondContact O-N 2.95Å; L65-A69 VanDerWaalsContact O-N 3.15Å; L65-D83 HydrophobicContact CD1-CB 3.87Å; L65-D83 HydrophobicContact CD2-CB 4.13Å; L65-D83 HydrophobicContact CG-CB 4.49Å; L65-I84 HydrophobicContact CD2-CG1 3.72Å; L65-L87 HydrophobicContact CB-CD2 4.21Å; L65-L87 HydrophobicContact CD2-CD2 4.15Å
66L97.3Very high95.7Very high2 Ų266.4 Ų66.41%0.0132%0.324CS..Hα-helixtrans-73.7-32.5177.7-64.5-168000112.8L58 S61 Y63 E64 I84 L87 K88L58-L66 WeakPolarHBondContact CB-O 3.31Å; L58-L66 HydrophobicContact CD2-CB 3.87Å; L58-L66 HydrophobicContact CD2-CD1 4.4Å; L58-L66 HydrophobicContact CD2-CD2 3.94Å; L58-L66 HydrophobicContact CD2-CG 4.27Å; S61-L66 WeakPolarHBondContact OG-CB 3.5Å; S61-L66 WeakPolarHBondContact OG-CD1 3.39Å; Y63-L66 HydrophobicContact CD2-CD1 4.37Å; Y63-L66 PolarHBondContact O-N 3.33Å; E64-L66 PolarHBondContact O-N 3.35Å; E64-L66 VanDerWaalsContact O-N 3.11Å; L66-I84 HydrophobicContact CD2-CB 4.23Å; L66-I84 HydrophobicContact CD2-CD1 4.05Å; L66-I84 HydrophobicContact CD2-CG1 3.55Å; L66-I84 HydrophobicContact CD2-CG2 3.93Å; L66-L87 HydrophobicContact CD2-CD2 4.28Å; L66-L87 HydrophobicContact CG-CD2 4.25Å; L66-K88 VanDerWaalsContact CD1-NZ 3.25Å
67R97.8Very high95.6Very high101 Ų10164 Ų6438%0.38131%0.307SS..Hα-helixtrans-73.6-42178-70.5-178.4-76.2152.8-2.6110.3L58 S61 Y63 E64 A69 L70L58-R67 WeakPolarHBondContact O-CG 3.4Å; S61-R67 WeakPolarHBondContact O-CD 3.46Å; S61-R67 PolarHBondContact O-NE 3.08Å; Y63-R67 PolarHBondContact O-N 2.99Å; E64-R67 CarbonylContact O-C 3.6Å; E64-R67 WeakPolarHBondContact O-CA 3.24Å; E64-R67 WeakPolarHBondContact O-CB 3.25Å; E64-R67 PolarHBondContact O-N 2.84Å; E64-R67 IonicContact OE2-CZ 2.98Å; E64-R67 IonicContact OE2-NE 3.08Å; E64-R67 IonicContact OE2-NH1 3.34Å; E64-R67 PolarHBondContact OE2-NH1 3.16Å; E64-R67 IonicContact OE2-NH2 3.37Å; E64-R67 PolarHBondContact OE2-NH2 3.41Å; R67-A69 VanDerWaalsContact C-N 3.29Å; R67-A69 PolarHBondContact O-N 2.91Å; R67-L70 PolarHBondContact O-N 3.2Å
68S97.4Very high95.6Very high59 Ų5969.7 Ų69.741%0.41333%0.333SS..Hα-helixtrans-66.6-29.7177.963.30000112.7E64 L65 L70 S71E64-S68 PolarHBondContact O-N 2.81Å; E64-S68 PolarHBondContact O-OG 2.91Å; L65-S68 WeakPolarHBondContact CA-OG 3.46Å; L65-S68 PolarHBondContact O-OG 3.08Å; S68-L70 PolarHBondContact O-N 2.95Å; S68-L70 VanDerWaalsContact O-N 3.09Å; S68-S71 PolarHBondContact O-N 3.02Å
69A97.4Very high95.6Very high1 Ų175.3 Ų75.31%0.00836%0.357CS..G310 helixtrans-52.5-32.1175.300000113.2L65 R67 S71 V72 T80 I84 L106L65-A69 PolarHBondContact O-N 2.95Å; L65-A69 VanDerWaalsContact O-N 3.15Å; R67-A69 VanDerWaalsContact C-N 3.29Å; R67-A69 PolarHBondContact O-N 2.91Å; A69-S71 PolarHBondContact O-N 2.91Å; A69-S71 VanDerWaalsContact O-N 3.08Å; A69-V72 VanDerWaalsContact O-CG1 3.31Å; A69-V72 WeakPolarHBondContact O-CG1 3.48Å; A69-V72 PolarHBondContact O-N 3.05Å; A69-T80 HydrophobicContact CB-CG2 3.61Å; A69-I84 HydrophobicContact CB-CD1 4.17Å; A69-L106 HydrophobicContact CB-CD1 4.39Å; A69-L106 HydrophobicContact CB-CD2 4.37Å; A69-L106 WeakPolarHBondContact O-CD1 3.41Å
70L96.8Very high95.7Very high14 Ų1470.9 Ų70.97%0.07334%0.342CS..G310 helixtrans-64.3-13.9177.5-63177000114.1E55 L58 R59 R67 S68 I109 R113E55-L70 HydrophobicContact CG-CD2 3.83Å; L58-L70 HydrophobicContact CB-CD1 4.37Å; L58-L70 HydrophobicContact CB-CD2 3.81Å; L58-L70 HydrophobicContact CB-CG 4.04Å; L58-L70 HydrophobicContact CD1-CD2 3.88Å; R59-L70 HydrophobicContact CB-CD1 3.73Å; R59-L70 HydrophobicContact CG-CD1 4.42Å; R67-L70 PolarHBondContact O-N 3.2Å; S68-L70 PolarHBondContact O-N 2.95Å; S68-L70 VanDerWaalsContact O-N 3.09Å; L70-I109 HydrophobicContact CD2-CD1 4.26Å; L70-I109 HydrophobicContact CD2-CG2 3.72Å; L70-R113 WeakPolarHBondContact O-CD 3.47Å; L70-R113 PolarHBondContact O-NH1 3.35Å
71S95.6Very high95.8Very high70 Ų7063.7 Ų63.749%0.4931%0.314SS..G310 helixtrans-120.910.5-174.8-43.50000113.5S68 A69 R113S68-S71 PolarHBondContact O-N 3.02Å; A69-S71 PolarHBondContact O-N 2.91Å; A69-S71 VanDerWaalsContact O-N 3.08Å; S71-R113 PolarHBondContact OG-NH1 3.31Å
72V96.1Very high96Very high29 Ų2967.4 Ų67.418%0.17633%0.333CS..  trans-72.8148.7-175.775.80000111A69 Q76 V77 L106 V110A69-V72 VanDerWaalsContact O-CG1 3.31Å; A69-V72 WeakPolarHBondContact O-CG1 3.48Å; A69-V72 PolarHBondContact O-N 3.05Å; V72-Q76 HydrophobicContact CG2-CB 3.44Å; V72-Q76 VanDerWaalsContact CG2-CB 3.44Å; V72-V77 HydrophobicContact CG1-CG2 3.85Å; V72-L106 HydrophobicContact CG1-CD2 4.43Å; V72-V110 HydrophobicContact CG1-CG1 3.95Å; V72-V110 WeakPolarHBondContact O-CG1 3.36Å
73H95Very high96.3Very high115 Ų11563.4 Ų63.453%0.53232%0.319SS..  trans-63.3143.1169.9-166.5-94.3000110D75 Q76H73-D75 VanDerWaalsContact C-N 3.28Å; H73-D75 IonicContact CE1-OD1 2.74Å; H73-D75 IonicContact CE1-OD2 2.6Å; H73-D75 PolarHBondContact CE1-OD2 2.89Å; H73-D75 PolarHBondContact ND1-N 2.85Å; H73-D75 IonicContact ND1-OD1 3.93Å; H73-D75 IonicContact ND1-OD2 3.08Å; H73-D75 PolarHBondContact ND1-OD2 3.27Å; H73-D75 VanDerWaalsContact ND1-OD2 3.16Å; H73-D75 PolarHBondContact O-N 2.96Å; H73-Q76 HydrophobicContact CB-CG 4.44Å; H73-Q76 PolarHBondContact O-N 3.05Å
74P92.4Very high96.4Very high28 Ų2859.9 Ų59.918%0.18231%0.305CS..G310 helixtrans-45.8-46.6177.5-34.638.7000115.2Q76 V77 V110 M259P74-Q76 PolarHBondContact O-N 2.8Å; P74-Q76 VanDerWaalsContact O-N 3.08Å; P74-V77 VanDerWaalsContact O-CB 3.25Å; P74-V77 WeakPolarHBondContact O-CB 3.35Å; P74-V77 VanDerWaalsContact O-CG2 3.24Å; P74-V77 WeakPolarHBondContact O-CG2 3.39Å; P74-V77 PolarHBondContact O-N 2.84Å; P74-V110 HydrophobicContact CG-CG2 4.3Å; P74-M259 HydrophobicContact CB-CE 3.5Å; P74-M259 HydrophobicContact CG-CE 3.53Å; P74-M259 HydrophobicContact CG-SD 4.31Å
75D94.7Very high96.3Very high128 Ų12855.1 Ų55.168%0.68428%0.283SS*.G310 helixtrans-64.3-17.3-178.7-49.9-20.9000114.1H73H73-D75 VanDerWaalsContact C-N 3.28Å; H73-D75 IonicContact CE1-OD1 2.74Å; H73-D75 IonicContact CE1-OD2 2.6Å; H73-D75 PolarHBondContact CE1-OD2 2.89Å; H73-D75 PolarHBondContact ND1-N 2.85Å; H73-D75 IonicContact ND1-OD1 3.93Å; H73-D75 IonicContact ND1-OD2 3.08Å; H73-D75 PolarHBondContact ND1-OD2 3.27Å; H73-D75 VanDerWaalsContact ND1-OD2 3.16Å; H73-D75 PolarHBondContact O-N 2.96Å
76Q96.6Very high96.3Very high91 Ų9155.8 Ų55.843%0.42530%0.297SS..G310 helixtrans-99.82.6-179.8-64.1-64.3-41.600111.8V72 H73 P74 T80V72-Q76 HydrophobicContact CG2-CB 3.44Å; V72-Q76 VanDerWaalsContact CG2-CB 3.44Å; H73-Q76 HydrophobicContact CB-CG 4.44Å; H73-Q76 PolarHBondContact O-N 3.05Å; P74-Q76 PolarHBondContact O-N 2.8Å; P74-Q76 VanDerWaalsContact O-N 3.08Å; Q76-T80 WeakPolarHBondContact O-CB 3.34Å; Q76-T80 PolarHBondContact O-N 2.65Å; Q76-T80 PolarHBondContact O-OG1 2.8Å
77V95.9Very high96.2Very high2 Ų258.5 Ų58.51%0.01231%0.311CS..Hα-helixtrans-61.9-47.3-179.21670000111.4V72 P74 T80 I81 Q103 L106 L107 V110V72-V77 HydrophobicContact CG1-CG2 3.85Å; P74-V77 VanDerWaalsContact O-CB 3.25Å; P74-V77 WeakPolarHBondContact O-CB 3.35Å; P74-V77 VanDerWaalsContact O-CG2 3.24Å; P74-V77 WeakPolarHBondContact O-CG2 3.39Å; P74-V77 PolarHBondContact O-N 2.84Å; V77-T80 CarbonylContact O-C 3.59Å; V77-T80 WeakPolarHBondContact O-CA 3.4Å; V77-T80 WeakPolarHBondContact O-CB 3.32Å; V77-T80 PolarHBondContact O-N 3.05Å; V77-T80 VanDerWaalsContact O-N 3.11Å; V77-I81 HydrophobicContact CG1-CG1 4.45Å; V77-I81 WeakPolarHBondContact O-CG1 3.26Å; V77-I81 PolarHBondContact O-N 3.21Å; V77-Q103 HydrophobicContact CG1-CG 4.06Å; V77-L106 HydrophobicContact CG1-CB 4.07Å; V77-L106 HydrophobicContact CG1-CD2 4.07Å; V77-L106 HydrophobicContact CG1-CG 4.15Å; V77-L106 HydrophobicContact CG2-CG 4.34Å; V77-L107 HydrophobicContact CB-CD2 4.25Å; V77-L107 HydrophobicContact CG1-CD2 4.23Å; V77-L107 HydrophobicContact CG1-CG 4.11Å; V77-L107 HydrophobicContact CG2-CD2 4.09Å; V77-V110 HydrophobicContact CG2-CG2 4.07Å
78E95.6Very high95.9Very high128 Ų12855 Ų5560%0.59830%0.299SS*.Hα-helixtrans-58.6-53.4-178.4-174.3175.3179.600111.4T80 I81 D82E78-T80 VanDerWaalsContact C-N 3.25Å; E78-T80 PolarHBondContact O-N 2.93Å; E78-I81 WeakPolarHBondContact O-CA 3.46Å; E78-I81 WeakPolarHBondContact O-CB 3.47Å; E78-I81 PolarHBondContact O-N 2.94Å; E78-D82 PolarHBondContact O-N 2.89Å; E78-D82 VanDerWaalsContact O-N 3.11Å
79K97.2Very high95.7Very high123 Ų12361.1 Ų61.154%0.53532%0.318SS..Hα-helixtrans-55.6-40.5173.7-177.9-178.3176.6-176.90112.5I81 D82 D83K79-I81 VanDerWaalsContact C-N 3.28Å; K79-I81 PolarHBondContact O-N 2.84Å; K79-D82 WeakPolarHBondContact O-CB 3.37Å; K79-D82 PolarHBondContact O-N 2.66Å; K79-D83 PolarHBondContact O-N 2.68Å
80T97.6Very high95.3Very high16 Ų1661.7 Ų61.710%0.09832%0.321CS..Hα-helixtrans-63.7-36.1177.1-59.90000111.4A69 Q76 V77 E78 D83 I84 L106A69-T80 HydrophobicContact CB-CG2 3.61Å; Q76-T80 WeakPolarHBondContact O-CB 3.34Å; Q76-T80 PolarHBondContact O-N 2.65Å; Q76-T80 PolarHBondContact O-OG1 2.8Å; V77-T80 CarbonylContact O-C 3.59Å; V77-T80 WeakPolarHBondContact O-CA 3.4Å; V77-T80 WeakPolarHBondContact O-CB 3.32Å; V77-T80 PolarHBondContact O-N 3.05Å; V77-T80 VanDerWaalsContact O-N 3.11Å; E78-T80 VanDerWaalsContact C-N 3.25Å; E78-T80 PolarHBondContact O-N 2.93Å; T80-D83 PolarHBondContact O-N 3.29Å; T80-I84 HydrophobicContact CG2-CD1 4Å; T80-I84 HydrophobicContact CG2-CG1 4.42Å; T80-I84 WeakPolarHBondContact O-CB 3.47Å; T80-I84 WeakPolarHBondContact O-CG1 3.19Å; T80-I84 PolarHBondContact O-N 3.02Å; T80-L106 HydrophobicContact CG2-CD2 3.95Å
81I96.6Very high95Very high8 Ų864.6 Ų64.64%0.04134%0.336CS..Hα-helixtrans-63.8-44.4174.2-64.2-45.6000110.8V77 E78 K79 D83 I84 M85 L102 Q103 L106V77-I81 HydrophobicContact CG1-CG1 4.45Å; V77-I81 WeakPolarHBondContact O-CG1 3.26Å; V77-I81 PolarHBondContact O-N 3.21Å; E78-I81 WeakPolarHBondContact O-CA 3.46Å; E78-I81 WeakPolarHBondContact O-CB 3.47Å; E78-I81 PolarHBondContact O-N 2.94Å; K79-I81 VanDerWaalsContact C-N 3.28Å; K79-I81 PolarHBondContact O-N 2.84Å; I81-D83 VanDerWaalsContact C-N 3.34Å; I81-D83 PolarHBondContact O-N 3.19Å; I81-I84 HydrophobicContact CD1-CD1 4.29Å; I81-I84 WeakPolarHBondContact O-CB 3.36Å; I81-I84 PolarHBondContact O-N 3.48Å; I81-I84 VanDerWaalsContact O-N 3.15Å; I81-M85 HydrophobicContact CG2-CG 4.31Å; I81-M85 HydrophobicContact CG2-SD 4.05Å; I81-M85 WeakPolarHBondContact O-CG 3.37Å; I81-M85 PolarHBondContact O-N 3.35Å; I81-L102 HydrophobicContact CD1-CB 3.77Å; I81-Q103 HydrophobicContact CG1-CB 4.08Å; I81-L106 HydrophobicContact CD1-CB 4.28Å; I81-L106 HydrophobicContact CD1-CD2 3.72Å
82D96.3Very high94.7Very high96 Ų9664.7 Ų64.751%0.51334%0.335SS..Hα-helixtrans-58.6-46.9176.8-67.6-27.3000111.6E78 K79 I84 M85 A86E78-D82 PolarHBondContact O-N 2.89Å; E78-D82 VanDerWaalsContact O-N 3.11Å; K79-D82 WeakPolarHBondContact O-CB 3.37Å; K79-D82 PolarHBondContact O-N 2.66Å; D82-I84 VanDerWaalsContact C-N 3.31Å; D82-I84 PolarHBondContact O-N 3.2Å; D82-M85 PolarHBondContact O-N 3.13Å; D82-M85 VanDerWaalsContact O-N 3.16Å; D82-A86 WeakPolarHBondContact O-CB 3.3Å; D82-A86 PolarHBondContact O-N 3.02Å
83D97.4Very high94.3Very high71 Ų7169.9 Ų69.938%0.3836%0.362SS..Hα-helixtrans-60.5-39.9176.5-74.7-22.8000112.1L65 K79 T80 I81 L87L65-D83 HydrophobicContact CD1-CB 3.87Å; L65-D83 HydrophobicContact CD2-CB 4.13Å; L65-D83 HydrophobicContact CG-CB 4.49Å; K79-D83 PolarHBondContact O-N 2.68Å; T80-D83 PolarHBondContact O-N 3.29Å; I81-D83 VanDerWaalsContact C-N 3.34Å; I81-D83 PolarHBondContact O-N 3.19Å; D83-L87 WeakPolarHBondContact O-CB 3.34Å; D83-L87 PolarHBondContact O-N 3.03Å
84I96.7Very high93.9Very high3 Ų369.1 Ų69.12%0.01537%0.366CS..Hα-helixtrans-63.7-46175.2-70.8172.8000110.5L37 L58 L65 L66 A69 T80 I81 D82 L87 K88L37-I84 HydrophobicContact CD1-CG2 3.77Å; L58-I84 HydrophobicContact CD2-CD1 4.5Å; L65-I84 HydrophobicContact CD2-CG1 3.72Å; L66-I84 HydrophobicContact CD2-CB 4.23Å; L66-I84 HydrophobicContact CD2-CD1 4.05Å; L66-I84 HydrophobicContact CD2-CG1 3.55Å; L66-I84 HydrophobicContact CD2-CG2 3.93Å; A69-I84 HydrophobicContact CB-CD1 4.17Å; T80-I84 HydrophobicContact CG2-CD1 4Å; T80-I84 HydrophobicContact CG2-CG1 4.42Å; T80-I84 WeakPolarHBondContact O-CB 3.47Å; T80-I84 WeakPolarHBondContact O-CG1 3.19Å; T80-I84 PolarHBondContact O-N 3.02Å; I81-I84 HydrophobicContact CD1-CD1 4.29Å; I81-I84 WeakPolarHBondContact O-CB 3.36Å; I81-I84 PolarHBondContact O-N 3.48Å; I81-I84 VanDerWaalsContact O-N 3.15Å; D82-I84 VanDerWaalsContact C-N 3.31Å; D82-I84 PolarHBondContact O-N 3.2Å; I84-L87 PolarHBondContact O-N 3.36Å; I84-K88 HydrophobicContact CG2-CG 4.46Å; I84-K88 WeakPolarHBondContact O-CB 3.48Å; I84-K88 VanDerWaalsContact O-CG 3.25Å; I84-K88 WeakPolarHBondContact O-CG 3.47Å; I84-K88 PolarHBondContact O-N 2.94Å
85M95Very high93.6Very high14 Ų1468.5 Ų68.57%0.06936%0.361CS..Hα-helixtrans-63.7-44.6-179.6-71.3-175.870.100111.1I81 D82 K88 K89 I90 P92I81-M85 HydrophobicContact CG2-CG 4.31Å; I81-M85 HydrophobicContact CG2-SD 4.05Å; I81-M85 WeakPolarHBondContact O-CG 3.37Å; I81-M85 PolarHBondContact O-N 3.35Å; D82-M85 PolarHBondContact O-N 3.13Å; D82-M85 VanDerWaalsContact O-N 3.16Å; M85-K88 PolarHBondContact O-N 2.96Å; M85-K89 PolarHBondContact O-N 3.25Å; M85-I90 HydrophobicContact CB-CB 4.49Å; M85-I90 HydrophobicContact CE-CG2 4.14Å; M85-I90 PolarHBondContact O-N 3.45Å; M85-P92 HydrophobicContact CE-CB 3.86Å; M85-P92 HydrophobicContact CE-CG 3.73Å
86A95.9Very high93.1Very high72 Ų7266.7 Ų66.760%0.59536%0.356SS*.Hα-helixtrans-60.6-50.7174.900000111.8D82 K88 K89D82-A86 WeakPolarHBondContact O-CB 3.3Å; D82-A86 PolarHBondContact O-N 3.02Å; A86-K88 PolarHBondContact O-N 3.28Å; A86-K89 PolarHBondContact O-N 3.21Å
87L95.4Very high92.8Very high59 Ų5968.3 Ų68.331%0.30936%0.364SS..Hα-helixtrans-57.7-37.6178.2177.766.4000112.3Y63 L65 L66 D83 I84 K89Y63-L87 HydrophobicContact CD1-CD1 3.84Å; Y63-L87 HydrophobicContact CD1-CD2 3.99Å; Y63-L87 HydrophobicContact CD1-CG 4.3Å; Y63-L87 HydrophobicContact CD2-CD2 4.39Å; Y63-L87 HydrophobicContact CE1-CD1 3.94Å; Y63-L87 HydrophobicContact CG-CD1 4.5Å; Y63-L87 HydrophobicContact CG-CD2 3.82Å; Y63-L87 HydrophobicContact CG-CG 4.49Å; L65-L87 HydrophobicContact CB-CD2 4.21Å; L65-L87 HydrophobicContact CD2-CD2 4.15Å; L66-L87 HydrophobicContact CD2-CD2 4.28Å; L66-L87 HydrophobicContact CG-CD2 4.25Å; D83-L87 WeakPolarHBondContact O-CB 3.34Å; D83-L87 PolarHBondContact O-N 3.03Å; I84-L87 PolarHBondContact O-N 3.36Å; L87-K89 VanDerWaalsContact C-N 3.32Å
88K92.2Very high92.7Very high28 Ų2868.2 Ų68.212%0.12236%0.363CS..Hα-helixtrans-84.1-7.6180-66.3-58.7-176.2-173.40113.6R29 L66 I84 M85 A86 I90R29-K88 PolarHBondContact NH2-O 3.4Å; L66-K88 VanDerWaalsContact CD1-NZ 3.25Å; I84-K88 HydrophobicContact CG2-CG 4.46Å; I84-K88 WeakPolarHBondContact O-CB 3.48Å; I84-K88 VanDerWaalsContact O-CG 3.25Å; I84-K88 WeakPolarHBondContact O-CG 3.47Å; I84-K88 PolarHBondContact O-N 2.94Å; M85-K88 PolarHBondContact O-N 2.96Å; A86-K88 PolarHBondContact O-N 3.28Å; K88-I90 HydrophobicContact CB-CD1 3.62Å; K88-I90 HydrophobicContact CB-CG1 3.61Å; K88-I90 HydrophobicContact CG-CD1 4.37Å
89K92.4Very high92.6Very high188 Ų18862.8 Ų62.882%0.81734%0.341SS*.THydrogen-bonded Turntrans57.448.4-174.2-53.1-174.9177.7-168.90111.2M85 A86 L87M85-K89 PolarHBondContact O-N 3.25Å; A86-K89 PolarHBondContact O-N 3.21Å; L87-K89 VanDerWaalsContact C-N 3.32Å
90I90.7Very high92.4Very high13 Ų1361 Ų617%0.06734%0.34CS..  trans-96125.6178.6-56.5175.3000107.9Q38 M85 K88 P92 N95 L98Q38-I90 HydrophobicContact CG-CD1 4.15Å; M85-I90 HydrophobicContact CB-CB 4.49Å; M85-I90 HydrophobicContact CE-CG2 4.14Å; M85-I90 PolarHBondContact O-N 3.45Å; K88-I90 HydrophobicContact CB-CD1 3.62Å; K88-I90 HydrophobicContact CB-CG1 3.61Å; K88-I90 HydrophobicContact CG-CD1 4.37Å; I90-P92 WeakPolarHBondContact O-CD 3.01Å; I90-N95 HydrophobicContact CG2-CB 4.02Å; I90-L98 HydrophobicContact CD1-CD2 3.56Å; I90-L98 HydrophobicContact CG2-CD2 3.76Å
91N89.5Confident92.3Very high74 Ų7460.9 Ų60.940%0.39634%0.34SS..  trans-81.2121173.6169.3-59.9000109D93 T94 N95N91-D93 WeakPolarHBondContact OD1-CA 3.41Å; N91-D93 WeakPolarHBondContact OD1-CB 3.49Å; N91-D93 PolarHBondContact OD1-N 2.98Å; N91-T94 WeakPolarHBondContact CB-OG1 3.4Å; N91-T94 PolarHBondContact O-OG1 2.94Å; N91-T94 VanDerWaalsContact O-OG1 3.05Å; N91-T94 PolarHBondContact OD1-N 3.4Å; N91-T94 PolarHBondContact OD1-OG1 3.32Å; N91-T94 VanDerWaalsContact OD1-OG1 3.05Å; N91-N95 PolarHBondContact O-N 3.17Å; N91-N95 PolarHBondContact O-ND2 2.78Å
92P88.7Confident92.3Very high72 Ų7260.8 Ų60.847%0.46834%0.34SS..SBendtrans-61.8-40.9-179.7-21.531.7000113.8M85 I90 T94 N95 P96M85-P92 HydrophobicContact CE-CB 3.86Å; M85-P92 HydrophobicContact CE-CG 3.73Å; I90-P92 WeakPolarHBondContact O-CD 3.01Å; P92-T94 VanDerWaalsContact C-N 3.26Å; P92-T94 PolarHBondContact O-N 3.31Å; P92-N95 CarbonylContact O-C 3.6Å; P92-N95 WeakPolarHBondContact O-CA 3.43Å; P92-N95 PolarHBondContact O-N 3Å; P92-P96 WeakPolarHBondContact O-CA 3.38Å
93D87.9Confident92.2Very high139 Ų13959.4 Ų59.474%0.74333%0.33SS*.THydrogen-bonded Turntrans-61.2-36.2-176.5-48.4-43.6000112.3N91N91-D93 WeakPolarHBondContact OD1-CA 3.41Å; N91-D93 WeakPolarHBondContact OD1-CB 3.49Å; N91-D93 PolarHBondContact OD1-N 2.98Å
94T86.8Confident92.1Very high99 Ų9957.7 Ų57.761%0.60733%0.326SS*.THydrogen-bonded Turntrans-85.2-9.4176.3560000113.2N91 P92N91-T94 WeakPolarHBondContact CB-OG1 3.4Å; N91-T94 PolarHBondContact O-OG1 2.94Å; N91-T94 VanDerWaalsContact O-OG1 3.05Å; N91-T94 PolarHBondContact OD1-N 3.4Å; N91-T94 PolarHBondContact OD1-OG1 3.32Å; N91-T94 VanDerWaalsContact OD1-OG1 3.05Å; P92-T94 VanDerWaalsContact C-N 3.26Å; P92-T94 PolarHBondContact O-N 3.31Å
95N86.3Confident92.2Very high15 Ų1557.7 Ų57.78%0.0833%0.327CS..  trans-13850.3-177.8-58-102000112.4Q38 Y42 I90 N91 P92 Q97 L98Q38-N95 PolarHBondContact NE2-OD1 3.42Å; Y42-N95 WeakPolarHBondContact OH-CB 3.26Å; Y42-N95 PolarHBondContact OH-OD1 3.45Å; I90-N95 HydrophobicContact CG2-CB 4.02Å; N91-N95 PolarHBondContact O-N 3.17Å; N91-N95 PolarHBondContact O-ND2 2.78Å; P92-N95 CarbonylContact O-C 3.6Å; P92-N95 WeakPolarHBondContact O-CA 3.43Å; P92-N95 PolarHBondContact O-N 3Å; N95-Q97 VanDerWaalsContact C-N 3.28Å; N95-Q97 PolarHBondContact O-N 2.93Å; N95-Q97 VanDerWaalsContact O-N 3.17Å; N95-L98 HydrophobicContact CB-CB 3.97Å; N95-L98 HydrophobicContact CB-CD2 4.44Å; N95-L98 VanDerWaalsContact O-CB 3.28Å; N95-L98 WeakPolarHBondContact O-CB 3.42Å; N95-L98 PolarHBondContact O-N 3.43Å
96P85.1Confident92.3Very high90 Ų9057.2 Ų57.258%0.58432%0.324SS*.Hα-helixtrans-62.6-34.6-166.523.1-34.2000112.9P92 L98P92-P96 WeakPolarHBondContact O-CA 3.38Å; P96-L98 VanDerWaalsContact C-N 3.29Å; P96-L98 PolarHBondContact O-N 3.15Å
97Q90.6Very high92.3Very high125 Ų12555.6 Ų55.658%0.58431%0.305SS*.Hα-helixtrans-78.2-10.9179.5-65.8-61.3-28.800114.1N95 S101N95-Q97 VanDerWaalsContact C-N 3.28Å; N95-Q97 PolarHBondContact O-N 2.93Å; N95-Q97 VanDerWaalsContact O-N 3.17Å; Q97-S101 VanDerWaalsContact O-CB 3.27Å; Q97-S101 WeakPolarHBondContact O-CB 3.31Å; Q97-S101 PolarHBondContact O-N 3.36Å; Q97-S101 PolarHBondContact O-OG 3.1Å
98L92.9Very high92.4Very high0 Ų053.3 Ų53.30%029%0.293CS..Hα-helixtrans-71.9-45.5-176.2-175.771.8000111.5Q38 C41 I90 N95 P96 S101 L102Q38-L98 HydrophobicContact CG-CD1 4.16Å; Q38-L98 HydrophobicContact CG-CD2 3.55Å; Q38-L98 HydrophobicContact CG-CG 4.49Å; C41-L98 HydrophobicContact CB-CD1 3.55Å; I90-L98 HydrophobicContact CD1-CD2 3.56Å; I90-L98 HydrophobicContact CG2-CD2 3.76Å; N95-L98 HydrophobicContact CB-CB 3.97Å; N95-L98 HydrophobicContact CB-CD2 4.44Å; N95-L98 VanDerWaalsContact O-CB 3.28Å; N95-L98 WeakPolarHBondContact O-CB 3.42Å; N95-L98 PolarHBondContact O-N 3.43Å; P96-L98 VanDerWaalsContact C-N 3.29Å; P96-L98 PolarHBondContact O-N 3.15Å; L98-S101 PolarHBondContact O-N 3.14Å; L98-L102 HydrophobicContact CD1-CD1 4.25Å; L98-L102 HydrophobicContact CD1-CG 4.26Å; L98-L102 HydrophobicContact CD2-CD1 4.23Å; L98-L102 HydrophobicContact CG-CD1 3.86Å; L98-L102 HydrophobicContact CG-CG 4.23Å; L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 3.44Å
99G93.4Very high92.6Very high14 Ų1452.1 Ų52.114%0.14429%0.288CS..Hα-helixtrans-56.2-52.9178.700000110.7S101 L102 Q103G99-S101 PolarHBondContact O-N 2.83Å; G99-L102 PolarHBondContact O-N 2.87Å; G99-L102 VanDerWaalsContact O-N 3.16Å; G99-Q103 WeakPolarHBondContact O-CB 3.5Å; G99-Q103 PolarHBondContact O-N 3.4Å
100V93.4Very high92.8Very high84 Ų8443.4 Ų43.451%0.50925%0.25SS..Hα-helixtrans-55.8-47.5176.2-177.10000111.9L102 Q103 A104V100-L102 VanDerWaalsContact C-N 3.34Å; V100-L102 PolarHBondContact O-N 3.42Å; V100-Q103 PolarHBondContact O-N 3.27Å; V100-A104 WeakPolarHBondContact O-CB 3.26Å; V100-A104 PolarHBondContact O-N 3.27Å
101S95.3Very high93.1Very high15 Ų1542.8 Ų42.811%0.10525%0.247CC..Hα-helixtrans-64.2-38179.8-660000112.9R50 Q97 L98 G99 S105R50-S101 VanDerWaalsContact NH1-CB 3.31Å; R50-S101 PolarHBondContact NH1-OG 3.34Å; Q97-S101 VanDerWaalsContact O-CB 3.27Å; Q97-S101 WeakPolarHBondContact O-CB 3.31Å; Q97-S101 PolarHBondContact O-N 3.36Å; Q97-S101 PolarHBondContact O-OG 3.1Å; L98-S101 PolarHBondContact O-N 3.14Å; G99-S101 PolarHBondContact O-N 2.83Å; S101-S105 PolarHBondContact O-N 3.43Å; S101-S105 PolarHBondContact O-OG 2.82Å
102L95.5Very high93.5Very high5 Ų539.4 Ų39.43%0.02623%0.229CC..Hα-helixtrans-73-40.6177.3-71.7174.9000111.3L37 I54 I81 L98 G99 V100 S105 L106L37-L102 HydrophobicContact CB-CD2 4.19Å; L37-L102 HydrophobicContact CD1-CD2 4.41Å; L37-L102 HydrophobicContact CD2-CD2 4.25Å; I54-L102 HydrophobicContact CD1-CD2 4.04Å; I54-L102 HydrophobicContact CG1-CD2 4.44Å; I81-L102 HydrophobicContact CD1-CB 3.77Å; L98-L102 HydrophobicContact CD1-CD1 4.25Å; L98-L102 HydrophobicContact CD1-CG 4.26Å; L98-L102 HydrophobicContact CD2-CD1 4.23Å; L98-L102 HydrophobicContact CG-CD1 3.86Å; L98-L102 HydrophobicContact CG-CG 4.23Å; L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 3.44Å; G99-L102 PolarHBondContact O-N 2.87Å; G99-L102 VanDerWaalsContact O-N 3.16Å; V100-L102 VanDerWaalsContact C-N 3.34Å; V100-L102 PolarHBondContact O-N 3.42Å; L102-S105 PolarHBondContact O-N 3.16Å; L102-L106 VanDerWaalsContact O-CB 3.26Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 PolarHBondContact O-N 3.36Å
103Q95.6Very high93.8Very high67 Ų6741.3 Ų41.331%0.31323%0.227SC..Hα-helixtrans-59.6-51.7176.6-177.9173.35.100110.8V77 I81 G99 V100 S105 L106 L107V77-Q103 HydrophobicContact CG1-CG 4.06Å; I81-Q103 HydrophobicContact CG1-CB 4.08Å; G99-Q103 WeakPolarHBondContact O-CB 3.5Å; G99-Q103 PolarHBondContact O-N 3.4Å; V100-Q103 PolarHBondContact O-N 3.27Å; Q103-S105 PolarHBondContact O-N 2.96Å; Q103-L106 PolarHBondContact O-N 2.81Å; Q103-L106 VanDerWaalsContact O-N 3.1Å; Q103-L107 HydrophobicContact CG-CD1 4.14Å; Q103-L107 WeakPolarHBondContact O-CG 3.47Å; Q103-L107 PolarHBondContact O-N 3.41Å
104A95.8Very high94.2Very high36 Ų3637.3 Ų37.330%0.29821%0.21SC..Hα-helixtrans-56.6-50177.200000111.7V100 L106 L107 Q108V100-A104 WeakPolarHBondContact O-CB 3.26Å; V100-A104 PolarHBondContact O-N 3.27Å; A104-L106 VanDerWaalsContact C-N 3.3Å; A104-L106 PolarHBondContact O-N 3.37Å; A104-L107 PolarHBondContact O-N 2.96Å; A104-Q108 WeakPolarHBondContact O-CG 3.12Å; A104-Q108 PolarHBondContact O-N 3.17Å
105S97.1Very high94.7Very high3 Ų332.7 Ų32.72%0.02118%0.181CC..Hα-helixtrans-64.1-32.7177.1-72.90000113.2T51 I54 S101 L102 Q103 I109T51-S105 WeakPolarHBondContact CG2-O 3.45Å; T51-S105 WeakPolarHBondContact OG1-CB 3.18Å; T51-S105 PolarHBondContact OG1-OG 2.64Å; I54-S105 VanDerWaalsContact CD1-CB 3.46Å; I54-S105 WeakPolarHBondContact CD1-OG 3.43Å; S101-S105 PolarHBondContact O-N 3.43Å; S101-S105 PolarHBondContact O-OG 2.82Å; L102-S105 PolarHBondContact O-N 3.16Å; Q103-S105 PolarHBondContact O-N 2.96Å; S105-I109 VanDerWaalsContact O-CD1 3.3Å; S105-I109 WeakPolarHBondContact O-CD1 3.27Å; S105-I109 WeakPolarHBondContact O-CG1 3.29Å; S105-I109 PolarHBondContact O-N 3.26Å; S105-I109 VanDerWaalsContact O-N 3.14Å
106L97Very high95.3Very high3 Ų334.8 Ų34.82%0.01619%0.191CC..Hα-helixtrans-73.9-41.1178-167.355.6000111.5L58 A69 V72 V77 T80 I81 L102 Q103 A104 Q108 I109 V110L58-L106 HydrophobicContact CD1-CD1 4.19Å; A69-L106 HydrophobicContact CB-CD1 4.39Å; A69-L106 HydrophobicContact CB-CD2 4.37Å; A69-L106 WeakPolarHBondContact O-CD1 3.41Å; V72-L106 HydrophobicContact CG1-CD2 4.43Å; V77-L106 HydrophobicContact CG1-CB 4.07Å; V77-L106 HydrophobicContact CG1-CD2 4.07Å; V77-L106 HydrophobicContact CG1-CG 4.15Å; V77-L106 HydrophobicContact CG2-CG 4.34Å; T80-L106 HydrophobicContact CG2-CD2 3.95Å; I81-L106 HydrophobicContact CD1-CB 4.28Å; I81-L106 HydrophobicContact CD1-CD2 3.72Å; L102-L106 VanDerWaalsContact O-CB 3.26Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 PolarHBondContact O-N 3.36Å; Q103-L106 PolarHBondContact O-N 2.81Å; Q103-L106 VanDerWaalsContact O-N 3.1Å; A104-L106 VanDerWaalsContact C-N 3.3Å; A104-L106 PolarHBondContact O-N 3.37Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 3.05Å; L106-I109 PolarHBondContact O-N 3.25Å; L106-I109 VanDerWaalsContact O-N 3.15Å; L106-V110 HydrophobicContact CD1-CG1 4.45Å; L106-V110 WeakPolarHBondContact O-CG2 3.24Å; L106-V110 PolarHBondContact O-N 3.25Å
107L96.9Very high95.9Very high38 Ų3833.6 Ų33.620%0.19919%0.189CC..Hα-helixtrans-56-44.9171.5-75.5170.7000111.4V77 Q103 A104 I109 V110 G111 E258 M259V77-L107 HydrophobicContact CB-CD2 4.25Å; V77-L107 HydrophobicContact CG1-CD2 4.23Å; V77-L107 HydrophobicContact CG1-CG 4.11Å; V77-L107 HydrophobicContact CG2-CD2 4.09Å; Q103-L107 HydrophobicContact CG-CD1 4.14Å; Q103-L107 WeakPolarHBondContact O-CG 3.47Å; Q103-L107 PolarHBondContact O-N 3.41Å; A104-L107 PolarHBondContact O-N 2.96Å; L107-I109 PolarHBondContact O-N 3.37Å; L107-V110 WeakPolarHBondContact O-CG2 3.23Å; L107-V110 PolarHBondContact O-N 2.83Å; L107-G111 WeakPolarHBondContact O-CA 3.44Å; L107-G111 PolarHBondContact O-N 2.86Å; L107-E258 CarbonylContact C-O 3.59Å; L107-E258 VanDerWaalsContact C-O 3.3Å; L107-E258 WeakPolarHBondContact CB-O 3.33Å; L107-M259 HydrophobicContact CD2-CE 4.13Å
108Q97.3Very high96.2Very high11 Ų1131.5 Ų31.55%0.05118%0.179CC..Hα-helixtrans-60.4-44175.3-73.9-176.3-30.900112.6T51 A104 L106 Y112 Y253 A256 E258T51-Q108 HydrophobicContact CG2-CB 3.95Å; T51-Q108 PolarHBondContact OG1-OE1 3.21Å; A104-Q108 WeakPolarHBondContact O-CG 3.12Å; A104-Q108 PolarHBondContact O-N 3.17Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 3.05Å; Q108-Y112 WeakPolarHBondContact O-CB 3.27Å; Q108-Y112 PolarHBondContact O-N 3Å; Q108-Y253 HydrophobicContact CB-CD1 3.72Å; Q108-Y253 HydrophobicContact CB-CE1 3.92Å; Q108-Y253 HydrophobicContact CB-CG 4.48Å; Q108-Y253 HydrophobicContact CG-CD1 4.38Å; Q108-Y253 PolarHBondContact NE2-O 3.46Å; Q108-Y253 WeakPolarHBondContact O-CE1 3.47Å; Q108-A256 WeakPolarHBondContact CG-O 3.32Å; Q108-A256 PolarHBondContact NE2-O 3.06Å; Q108-E258 WeakPolarHBondContact CA-O 3.26Å; Q108-E258 PolarHBondContact N-O 3.08Å
109I97.5Very high96.5Very high4 Ų431.5 Ų31.52%0.02118%0.179CC..Hα-helixtrans-64.9-47.8-179.9-70.6162.1000111.2T51 I54 E55 L70 S105 L106 L107T51-I109 HydrophobicContact CG2-CD1 4.1Å; T51-I109 HydrophobicContact CG2-CG1 3.72Å; I54-I109 HydrophobicContact CG2-CD1 4.28Å; E55-I109 HydrophobicContact CB-CD1 3.66Å; E55-I109 HydrophobicContact CB-CG1 4.07Å; E55-I109 HydrophobicContact CG-CD1 3.99Å; E55-I109 HydrophobicContact CG-CG1 4.1Å; E55-I109 HydrophobicContact CG-CG2 4.25Å; L70-I109 HydrophobicContact CD2-CD1 4.26Å; L70-I109 HydrophobicContact CD2-CG2 3.72Å; S105-I109 VanDerWaalsContact O-CD1 3.3Å; S105-I109 WeakPolarHBondContact O-CD1 3.27Å; S105-I109 WeakPolarHBondContact O-CG1 3.29Å; S105-I109 PolarHBondContact O-N 3.26Å; S105-I109 VanDerWaalsContact O-N 3.14Å; L106-I109 PolarHBondContact O-N 3.25Å; L106-I109 VanDerWaalsContact O-N 3.15Å; L107-I109 PolarHBondContact O-N 3.37Å
110V96.3Very high96.8Very high4 Ų432.3 Ų32.32%0.02418%0.18CC..Hα-helixtrans-71.1-38.6-179.8-57.40000111.1V72 P74 V77 L106 L107 Y112 R113 S114V72-V110 HydrophobicContact CG1-CG1 3.95Å; V72-V110 WeakPolarHBondContact O-CG1 3.36Å; P74-V110 HydrophobicContact CG-CG2 4.3Å; V77-V110 HydrophobicContact CG2-CG2 4.07Å; L106-V110 HydrophobicContact CD1-CG1 4.45Å; L106-V110 WeakPolarHBondContact O-CG2 3.24Å; L106-V110 PolarHBondContact O-N 3.25Å; L107-V110 WeakPolarHBondContact O-CG2 3.23Å; L107-V110 PolarHBondContact O-N 2.83Å; V110-Y112 VanDerWaalsContact C-N 3.35Å; V110-Y112 PolarHBondContact O-N 2.57Å; V110-R113 WeakPolarHBondContact O-CB 3.46Å; V110-R113 PolarHBondContact O-N 2.66Å; V110-S114 PolarHBondContact O-N 3.21Å; V110-S114 PolarHBondContact O-OG 3.34Å
111G96.1Very high97Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-57.9-44.5174.900000113.1L107 R113 S114 L115L107-G111 WeakPolarHBondContact O-CA 3.44Å; L107-G111 PolarHBondContact O-N 2.86Å; G111-R113 PolarHBondContact O-N 3.14Å; G111-S114 PolarHBondContact O-N 2.85Å; G111-S114 VanDerWaalsContact O-N 3.17Å; G111-L115 WeakPolarHBondContact O-CB 3.25Å; G111-L115 PolarHBondContact O-N 3.32Å
112Y97.6Very high97.2Very high4 Ų435.5 Ų35.52%0.01619%0.185CC..Hα-helixtrans-57-35.9174.9-170.7-89.6000112.7Q108 V110 M116 L243 G246 L248 K249 L252 Y253Q108-Y112 WeakPolarHBondContact O-CB 3.27Å; Q108-Y112 PolarHBondContact O-N 3Å; V110-Y112 VanDerWaalsContact C-N 3.35Å; V110-Y112 PolarHBondContact O-N 2.57Å; Y112-M116 HydrophobicContact CD1-CE 3.78Å; Y112-M116 HydrophobicContact CD1-CG 4.26Å; Y112-M116 HydrophobicContact CD1-SD 4.06Å; Y112-M116 HydrophobicContact CE1-CE 3.85Å; Y112-M116 HydrophobicContact CE1-CG 4Å; Y112-M116 HydrophobicContact CE1-SD 3.56Å; Y112-M116 VanDerWaalsContact CE1-SD 3.56Å; Y112-M116 WeakPolarHBondContact O-CG 3.26Å; Y112-M116 PolarHBondContact O-N 2.82Å; Y112-L243 HydrophobicContact CE2-CD1 3.83Å; Y112-L243 PolarHBondContact OH-O 2.84Å; Y112-G246 VanDerWaalsContact OH-CA 3.27Å; Y112-G246 WeakPolarHBondContact OH-CA 3.48Å; Y112-L248 HydrophobicContact CE2-CB 4.42Å; Y112-K249 HydrophobicContact CD1-CG 4.21Å; Y112-K249 HydrophobicContact CD2-CG 3.81Å; Y112-K249 HydrophobicContact CE1-CD 4.35Å; Y112-K249 HydrophobicContact CE1-CG 3.85Å; Y112-K249 HydrophobicContact CE2-CB 4.23Å; Y112-K249 HydrophobicContact CE2-CG 3.39Å; Y112-K249 HydrophobicContact CG-CG 4.19Å; Y112-K249 VanDerWaalsContact CZ-CG 3.42Å; Y112-L252 HydrophobicContact CD2-CB 4.43Å; Y112-L252 HydrophobicContact CD2-CD1 3.67Å; Y112-L252 HydrophobicContact CE2-CD1 3.66Å; Y112-Y253 HydrophobicContact CD2-CE1 4.32Å; Y112-Y253 HydrophobicContact CG-CE1 4.45Å
113R95.9Very high97.3Very high111 Ų11137.8 Ų37.842%0.41919%0.194SC..Hα-helixtrans-73.7-42.4177.1-66.4174.355.6153.4-1.6112.4L70 S71 V110 G111 L115 M116 A117L70-R113 WeakPolarHBondContact O-CD 3.47Å; L70-R113 PolarHBondContact O-NH1 3.35Å; S71-R113 PolarHBondContact OG-NH1 3.31Å; V110-R113 WeakPolarHBondContact O-CB 3.46Å; V110-R113 PolarHBondContact O-N 2.66Å; G111-R113 PolarHBondContact O-N 3.14Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-M116 HydrophobicContact CB-CE 4.45Å; R113-M116 HydrophobicContact CG-CE 4.15Å; R113-M116 PolarHBondContact O-N 3.39Å; R113-A117 PolarHBondContact O-N 3.12Å
114S95.6Very high97.4Very high56 Ų5643 Ų4339%0.39221%0.211SC..Hα-helixtrans-58.7-46.6174.7-59.20000110.4V110 G111 M116 A117 E118V110-S114 PolarHBondContact O-N 3.21Å; V110-S114 PolarHBondContact O-OG 3.34Å; G111-S114 PolarHBondContact O-N 2.85Å; G111-S114 VanDerWaalsContact O-N 3.17Å; S114-M116 PolarHBondContact O-N 2.78Å; S114-A117 WeakPolarHBondContact O-CB 3.13Å; S114-A117 PolarHBondContact O-N 2.84Å; S114-A117 VanDerWaalsContact O-N 3.13Å; S114-E118 PolarHBondContact O-N 3.01Å
115L97.8Very high97.5Very high1 Ų144.4 Ų44.41%0.00521%0.211CC..Hα-helixtrans-58.4-46.2174.6179.261.4000112.4G111 R113 A117 E118 V119 L243 L252 A260 G261 F265G111-L115 WeakPolarHBondContact O-CB 3.25Å; G111-L115 PolarHBondContact O-N 3.32Å; R113-L115 VanDerWaalsContact C-N 3.31Å; L115-A117 VanDerWaalsContact C-N 3.28Å; L115-A117 PolarHBondContact O-N 3.42Å; L115-E118 PolarHBondContact O-N 3.33Å; L115-V119 HydrophobicContact CD1-CG2 3.78Å; L115-V119 HydrophobicContact CG-CG2 4.21Å; L115-V119 WeakPolarHBondContact O-CB 3.48Å; L115-V119 VanDerWaalsContact O-CG2 3.28Å; L115-V119 WeakPolarHBondContact O-CG2 3.32Å; L115-V119 PolarHBondContact O-N 3.45Å; L115-L243 HydrophobicContact CD2-CD1 4.2Å; L115-L252 HydrophobicContact CD2-CD1 3.66Å; L115-A260 HydrophobicContact CD2-CB 3.92Å; L115-G261 VanDerWaalsContact CD1-C 3.5Å; L115-F265 HydrophobicContact CD1-CB 4.21Å
116M98.1Very high97.6Very high59 Ų5948.8 Ų48.829%0.29124%0.239SC..Hα-helixtrans-57.8-40.9175.7-81.4-168.8-56.400112.5Y112 R113 S114 E120 L243Y112-M116 HydrophobicContact CD1-CE 3.78Å; Y112-M116 HydrophobicContact CD1-CG 4.26Å; Y112-M116 HydrophobicContact CD1-SD 4.06Å; Y112-M116 HydrophobicContact CE1-CE 3.85Å; Y112-M116 HydrophobicContact CE1-CG 4Å; Y112-M116 HydrophobicContact CE1-SD 3.56Å; Y112-M116 VanDerWaalsContact CE1-SD 3.56Å; Y112-M116 WeakPolarHBondContact O-CG 3.26Å; Y112-M116 PolarHBondContact O-N 2.82Å; R113-M116 HydrophobicContact CB-CE 4.45Å; R113-M116 HydrophobicContact CG-CE 4.15Å; R113-M116 PolarHBondContact O-N 3.39Å; S114-M116 PolarHBondContact O-N 2.78Å; M116-E120 VanDerWaalsContact O-CB 3.26Å; M116-E120 WeakPolarHBondContact O-CB 3.44Å; M116-E120 PolarHBondContact O-N 3.09Å; M116-L243 HydrophobicContact CG-CD1 4.27Å; M116-L243 HydrophobicContact CG-CD2 4Å; M116-L243 HydrophobicContact CG-CG 3.8Å
117A97.7Very high97.6Very high65 Ų6549.2 Ų49.254%0.53724%0.241SC..Hα-helixtrans-68.3-42.7179.100000111.9R113 S114 L115 E120 K121R113-A117 PolarHBondContact O-N 3.12Å; S114-A117 WeakPolarHBondContact O-CB 3.13Å; S114-A117 PolarHBondContact O-N 2.84Å; S114-A117 VanDerWaalsContact O-N 3.13Å; L115-A117 VanDerWaalsContact C-N 3.28Å; L115-A117 PolarHBondContact O-N 3.42Å; A117-E120 PolarHBondContact O-N 3.43Å; A117-K121 WeakPolarHBondContact O-CB 3.37Å; A117-K121 PolarHBondContact O-N 3.18Å
118E98.3Very high97.6Very high82 Ų8250.5 Ų50.538%0.38325%0.248SC..Hα-helixtrans-63.8-48.7176.9-175.9178-164.500111.9S114 L115 E120 K121 L122S114-E118 PolarHBondContact O-N 3.01Å; L115-E118 PolarHBondContact O-N 3.33Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 3.48Å; E118-K121 WeakPolarHBondContact O-CB 3.38Å; E118-K121 PolarHBondContact O-N 3.44Å; E118-L122 HydrophobicContact CG-CD1 4.45Å; E118-L122 PolarHBondContact O-N 2.99Å
119V98.8Very high97.5Very high0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-61.2-42.6177171.40000110.8L115 K121 L122 R123 L179 Y240 L243 L262 F265L115-V119 HydrophobicContact CD1-CG2 3.78Å; L115-V119 HydrophobicContact CG-CG2 4.21Å; L115-V119 WeakPolarHBondContact O-CB 3.48Å; L115-V119 VanDerWaalsContact O-CG2 3.28Å; L115-V119 WeakPolarHBondContact O-CG2 3.32Å; L115-V119 PolarHBondContact O-N 3.45Å; V119-K121 VanDerWaalsContact C-N 3.35Å; V119-L122 PolarHBondContact O-N 3.2Å; V119-R123 VanDerWaalsContact O-CB 3.32Å; V119-R123 WeakPolarHBondContact O-CB 3.36Å; V119-R123 PolarHBondContact O-N 3.04Å; V119-L179 HydrophobicContact CG1-CD1 4.33Å; V119-L179 HydrophobicContact CG1-CD2 3.63Å; V119-Y240 HydrophobicContact CG1-CD2 3.87Å; V119-Y240 HydrophobicContact CG1-CE2 4.5Å; V119-L243 HydrophobicContact CB-CD2 3.92Å; V119-L243 HydrophobicContact CG1-CD2 3.93Å; V119-L243 HydrophobicContact CG2-CD2 3.96Å; V119-L262 HydrophobicContact CG2-CD1 4.09Å; V119-F265 HydrophobicContact CG1-CE1 4.12Å; V119-F265 HydrophobicContact CG1-CE2 4.14Å; V119-F265 HydrophobicContact CG1-CZ 3.9Å; V119-F265 HydrophobicContact CG2-CB 4.28Å; V119-F265 HydrophobicContact CG2-CD1 4.1Å; V119-F265 HydrophobicContact CG2-CD2 4.12Å; V119-F265 HydrophobicContact CG2-CE1 4.47Å; V119-F265 HydrophobicContact CG2-CE2 4.49Å; V119-F265 HydrophobicContact CG2-CG 3.9Å
120E98.6Very high97.5Very high31 Ų3159.2 Ų59.215%0.14529%0.292CS..Hα-helixtrans-66.9-35.6177.3-179.162.8178.600112.5M116 A117 E118 R123 R124 Y240M116-E120 VanDerWaalsContact O-CB 3.26Å; M116-E120 WeakPolarHBondContact O-CB 3.44Å; M116-E120 PolarHBondContact O-N 3.09Å; A117-E120 PolarHBondContact O-N 3.43Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 3.48Å; E120-R123 PolarHBondContact O-N 3.44Å; E120-R123 IonicContact OE1-CZ 2.77Å; E120-R123 IonicContact OE1-NE 3.27Å; E120-R123 IonicContact OE1-NH2 3.49Å; E120-R123 PolarHBondContact OE1-NH2 2.91Å; E120-R123 IonicContact OE2-CZ 3.79Å; E120-R123 IonicContact OE2-NE 2.66Å; E120-R123 PolarHBondContact OE2-NE 2.85Å; E120-R123 IonicContact OE2-NH2 2.84Å; E120-R123 PolarHBondContact OE2-NH2 3.11Å; E120-R124 WeakPolarHBondContact O-CB 3.49Å; E120-R124 WeakPolarHBondContact O-CG 3.44Å; E120-R124 PolarHBondContact O-N 3.26Å; E120-R124 VanDerWaalsContact O-N 3.09Å; E120-R124 IonicContact OE1-CZ 3.93Å; E120-R124 IonicContact OE1-NE 3.11Å; E120-R124 PolarHBondContact OE1-NE 3.43Å; E120-R124 IonicContact OE1-NH2 3.75Å; E120-R124 PolarHBondContact OE1-NH2 3.18Å; E120-Y240 WeakPolarHBondContact OE2-CE2 3.28Å; E120-Y240 PolarHBondContact OE2-OH 3.2Å
121K98.6Very high97.5Very high148 Ų14861.4 Ų61.464%0.64330%0.304SS*.Hα-helixtrans-59.3-53.5174-179.3-169.9171.5-165.50110.1A117 E118 V119 R123 R124 E125A117-K121 WeakPolarHBondContact O-CB 3.37Å; A117-K121 PolarHBondContact O-N 3.18Å; E118-K121 WeakPolarHBondContact O-CB 3.38Å; E118-K121 PolarHBondContact O-N 3.44Å; V119-K121 VanDerWaalsContact C-N 3.35Å; K121-R123 VanDerWaalsContact C-N 3.33Å; K121-R123 PolarHBondContact O-N 3.32Å; K121-R124 PolarHBondContact O-N 3.47Å; K121-E125 PolarHBondContact O-N 3.03Å
122L98.6Very high97.6Very high17 Ų1767.2 Ų67.29%0.08934%0.34CS..Hα-helixtrans-64.5-36-179.8-68.7169.2000112.8E118 V119 R124 E125 L178 L179 L262E118-L122 HydrophobicContact CG-CD1 4.45Å; E118-L122 PolarHBondContact O-N 2.99Å; V119-L122 PolarHBondContact O-N 3.2Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.06Å; L122-E125 PolarHBondContact O-N 3.22Å; L122-L178 HydrophobicContact CD2-CD2 4.15Å; L122-L178 PolarHBondContact O-N 3.43Å; L122-L179 HydrophobicContact CB-CB 3.9Å; L122-L179 HydrophobicContact CB-CD1 4.23Å; L122-L179 HydrophobicContact CD1-CD1 4.31Å; L122-L179 PolarHBondContact O-N 3.48Å; L122-L262 HydrophobicContact CD1-CD1 3.8Å; L122-L262 HydrophobicContact CD1-CD2 3.59Å; L122-L262 HydrophobicContact CD1-CG 4.36Å
123R98.5Very high97.7Very high54 Ų5473.1 Ų73.120%0.20437%0.368CS..Hα-helixtrans-64.9-34.9176.5-165.8-163.564.775.7-0.7112.1V119 E120 K121 G175 M176 G177 L179V119-R123 VanDerWaalsContact O-CB 3.32Å; V119-R123 WeakPolarHBondContact O-CB 3.36Å; V119-R123 PolarHBondContact O-N 3.04Å; E120-R123 PolarHBondContact O-N 3.44Å; E120-R123 IonicContact OE1-CZ 2.77Å; E120-R123 IonicContact OE1-NE 3.27Å; E120-R123 IonicContact OE1-NH2 3.49Å; E120-R123 PolarHBondContact OE1-NH2 2.91Å; E120-R123 IonicContact OE2-CZ 3.79Å; E120-R123 IonicContact OE2-NE 2.66Å; E120-R123 PolarHBondContact OE2-NE 2.85Å; E120-R123 IonicContact OE2-NH2 2.84Å; E120-R123 PolarHBondContact OE2-NH2 3.11Å; K121-R123 VanDerWaalsContact C-N 3.33Å; K121-R123 PolarHBondContact O-N 3.32Å; R123-G175 PolarHBondContact NH1-O 3.06Å; R123-M176 WeakPolarHBondContact CA-O 3.4Å; R123-M176 HydrophobicContact CG-CE 4.14Å; R123-M176 HydrophobicContact CG-SD 3.9Å; R123-M176 CarbonylContact O-C 3.3Å; R123-G177 WeakPolarHBondContact O-CA 3.35Å; R123-G177 PolarHBondContact O-N 2.57Å; R123-L179 HydrophobicContact CB-CB 4.42Å; R123-L179 HydrophobicContact CB-CD2 4.05Å; R123-L179 HydrophobicContact CG-CD2 4.38Å
124R98.1Very high97.8Very high177 Ų17768.1 Ų68.167%0.66835%0.349SS*.Hα-helixtrans-84.9-20179.6-73.4-172.4-176.5-173.77113.7E120 K121 L122 P126E120-R124 WeakPolarHBondContact O-CB 3.49Å; E120-R124 WeakPolarHBondContact O-CG 3.44Å; E120-R124 PolarHBondContact O-N 3.26Å; E120-R124 VanDerWaalsContact O-N 3.09Å; E120-R124 IonicContact OE1-CZ 3.93Å; E120-R124 IonicContact OE1-NE 3.11Å; E120-R124 PolarHBondContact OE1-NE 3.43Å; E120-R124 IonicContact OE1-NH2 3.75Å; E120-R124 PolarHBondContact OE1-NH2 3.18Å; K121-R124 PolarHBondContact O-N 3.47Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.06Å; R124-P126 VanDerWaalsContact O-CD 3.26Å; R124-P126 WeakPolarHBondContact O-CD 3.48Å
125E98.1Very high97.9Very high64 Ų6467 Ų6730%0.29934%0.338SS..SBendtrans-70.2111.6177.2-176159.2-163.900109.7K121 L122 H134 G177 L178K121-E125 PolarHBondContact O-N 3.03Å; L122-E125 PolarHBondContact O-N 3.22Å; E125-H134 IonicContact OE1-CE1 3.52Å; E125-H134 IonicContact OE1-NE2 2.89Å; E125-G177 CarbonylContact O-C 3.06Å; E125-G177 WeakPolarHBondContact O-CA 3.29Å; E125-L178 HydrophobicContact CB-CB 4.2Å; E125-L178 HydrophobicContact CG-CB 4.25Å; E125-L178 HydrophobicContact CG-CD2 4.25Å; E125-L178 PolarHBondContact O-N 3.38Å
126P97.6Very high97.9Very high96 Ų9670.7 Ų70.762%0.62336%0.363SS*.  trans-70.4146.5179.830.6-33.8000110R124 D128R124-P126 VanDerWaalsContact O-CD 3.26Å; R124-P126 WeakPolarHBondContact O-CD 3.48Å; P126-D128 PolarHBondContact O-N 3.05Å
127Y97.4Very high97.9Very high11 Ų1169 Ų694%0.04336%0.355CS..  trans-61.5131.8166.8-178.5-89.2000110.2H134 E135 L138 R154 K170 F173 L181Y127-H134 HydrophobicContact CD2-CB 4.08Å; Y127-H134 HydrophobicContact CE2-CB 3.78Å; Y127-H134 WeakPolarHBondContact CE2-O 3.42Å; Y127-E135 PolarHBondContact OH-OE1 2.81Å; Y127-L138 HydrophobicContact CE2-CB 4.14Å; Y127-L138 HydrophobicContact CE2-CD2 4.28Å; Y127-L138 WeakPolarHBondContact OH-CD2 3.38Å; Y127-R154 VanDerWaalsContact CE1-NH2 3.29Å; Y127-R154 PolarHBondContact OH-NH2 2.92Å; Y127-K170 HydrophobicContact CD1-CB 3.94Å; Y127-K170 HydrophobicContact CD1-CD 4.37Å; Y127-K170 HydrophobicContact CD1-CG 3.93Å; Y127-K170 HydrophobicContact CE1-CB 4.33Å; Y127-F173 HydrophobicContact CD2-CD2 4.18Å; Y127-F173 HydrophobicContact CD2-CE2 4.37Å; Y127-F173 HydrophobicContact CG-CD2 4.05Å; Y127-L181 HydrophobicContact CD2-CD2 3.78Å; Y127-L181 HydrophobicContact CE2-CD2 3.65Å
128D96.9Very high97.9Very high66 Ų6666 Ų6635%0.35333%0.329SS..  trans-124120.5-178.7-174.37.2000109.9P126 E130 N131 H134P126-D128 PolarHBondContact O-N 3.05Å; D128-E130 VanDerWaalsContact C-N 3.27Å; D128-E130 PolarHBondContact O-N 2.88Å; D128-E130 PolarHBondContact OD1-N 3Å; D128-N131 HydrophobicContact CB-CB 3.96Å; D128-N131 PolarHBondContact O-N 2.85Å; D128-H134 PolarHBondContact N-ND1 2.86Å; D128-H134 WeakPolarHBondContact O-CB 3.38Å
129S95.5Very high97.9Very high37 Ų3765.1 Ų65.126%0.25933%0.326SS..THydrogen-bonded Turntrans-74.9-18.1-179.350.10000113E135 K170S129-E135 WeakPolarHBondContact CA-OE1 3.33Å; S129-E135 VanDerWaalsContact O-CG 3.28Å; S129-E135 WeakPolarHBondContact O-CG 3.09Å; S129-K170 PolarHBondContact OG-NZ 3.06Å; S129-K170 VanDerWaalsContact OG-NZ 3.13Å
130E96.8Very high97.8Very high160 Ų16069.8 Ų69.875%0.74835%0.347SS*.THydrogen-bonded Turntrans-88.2-9.6175.6-52.6-51.112200111.9D128D128-E130 VanDerWaalsContact C-N 3.27Å; D128-E130 PolarHBondContact O-N 2.88Å; D128-E130 PolarHBondContact OD1-N 3Å
131N98Very high97.8Very high50 Ų5068.3 Ų68.327%0.26734%0.34SS..  trans-87.7116.5176.1-176.3-36.8000110.3D128 E133 H134 E135D128-N131 HydrophobicContact CB-CB 3.96Å; D128-N131 PolarHBondContact O-N 2.85Å; N131-E133 VanDerWaalsContact C-N 3.28Å; N131-E133 PolarHBondContact O-N 3.17Å; N131-E133 WeakPolarHBondContact OD1-CB 3.49Å; N131-E133 PolarHBondContact OD1-N 3.02Å; N131-H134 HydrophobicContact CB-CB 4.1Å; N131-H134 PolarHBondContact O-N 3.38Å; N131-H134 PolarHBondContact OD1-N 3.42Å; N131-E135 PolarHBondContact O-N 2.68Å
132T97.9Very high97.8Very high122 Ų12261.7 Ų61.775%0.74831%0.311SS*.Hα-helixtrans-61.9-31.4-177.852.50000113.8S136T132-S136 WeakPolarHBondContact O-CB 3.27Å; T132-S136 PolarHBondContact O-N 3.2Å
133E98.1Very high97.7Very high129 Ų12967.5 Ų67.560%0.60334%0.335SS*.Hα-helixtrans-71.9-41.8178.3-166.5-179.6175.600111.1N131 S136 M137N131-E133 VanDerWaalsContact C-N 3.28Å; N131-E133 PolarHBondContact O-N 3.17Å; N131-E133 WeakPolarHBondContact OD1-CB 3.49Å; N131-E133 PolarHBondContact OD1-N 3.02Å; E133-S136 PolarHBondContact O-N 2.98Å; E133-M137 HydrophobicContact CG-CE 4.31Å; E133-M137 PolarHBondContact O-N 2.8Å
134H98.1Very high97.7Very high6 Ų666.5 Ų66.53%0.02833%0.333CS..Hα-helixtrans-63.9-47.2176.8-65.5178.9000111.7E125 Y127 D128 N131 M137 L138 L178E125-H134 IonicContact OE1-CE1 3.52Å; E125-H134 IonicContact OE1-NE2 2.89Å; Y127-H134 HydrophobicContact CD2-CB 4.08Å; Y127-H134 HydrophobicContact CE2-CB 3.78Å; Y127-H134 WeakPolarHBondContact CE2-O 3.42Å; D128-H134 PolarHBondContact N-ND1 2.86Å; D128-H134 WeakPolarHBondContact O-CB 3.38Å; N131-H134 HydrophobicContact CB-CB 4.1Å; N131-H134 PolarHBondContact O-N 3.38Å; N131-H134 PolarHBondContact OD1-N 3.42Å; H134-M137 PolarHBondContact O-N 3.21Å; H134-L138 PolarHBondContact O-N 3.18Å; H134-L138 VanDerWaalsContact O-N 3.07Å; H134-L178 WeakPolarHBondContact NE2-CD2 3.3Å
135E97.8Very high97.6Very high33 Ų3358.3 Ų58.315%0.15430%0.302CS..Hα-helixtrans-61.5-43.6175.1-75.8-69.4142.100111.2Y127 S129 N131 M137 L138 M139 R154Y127-E135 PolarHBondContact OH-OE1 2.81Å; S129-E135 WeakPolarHBondContact CA-OE1 3.33Å; S129-E135 VanDerWaalsContact O-CG 3.28Å; S129-E135 WeakPolarHBondContact O-CG 3.09Å; N131-E135 PolarHBondContact O-N 2.68Å; E135-M137 PolarHBondContact O-N 3.29Å; E135-L138 PolarHBondContact O-N 3.48Å; E135-L138 VanDerWaalsContact O-N 3.17Å; E135-M139 WeakPolarHBondContact O-CG 3.33Å; E135-M139 PolarHBondContact O-N 2.89Å; E135-R154 VanDerWaalsContact CD-NE 3.28Å; E135-R154 IonicContact OE1-CZ 2.68Å; E135-R154 IonicContact OE1-NE 3.37Å; E135-R154 PolarHBondContact OE1-NE 2.85Å; E135-R154 IonicContact OE1-NH2 3.55Å; E135-R154 PolarHBondContact OE1-NH2 3.33Å; E135-R154 WeakPolarHBondContact OE2-CD 3.3Å; E135-R154 IonicContact OE2-NE 2.83Å; E135-R154 PolarHBondContact OE2-NE 3.18Å
136S98.1Very high97.5Very high77 Ų7757.4 Ų57.454%0.53830%0.296SS..Hα-helixtrans-58.3-45.1175.8178.30000112.3T132 E133 L138 M139 K140T132-S136 WeakPolarHBondContact O-CB 3.27Å; T132-S136 PolarHBondContact O-N 3.2Å; E133-S136 PolarHBondContact O-N 2.98Å; S136-L138 PolarHBondContact O-N 3.06Å; S136-M139 PolarHBondContact O-N 2.99Å; S136-K140 VanDerWaalsContact O-CB 3.31Å; S136-K140 WeakPolarHBondContact O-CB 3.46Å; S136-K140 PolarHBondContact O-N 3.48Å
137M98.4Very high97.2Very high25 Ų2556 Ų5612%0.12329%0.287CS..Hα-helixtrans-61.1-42.5175.7-77.1-173.2-75.700112.3E133 H134 E135 K140 L141 L178 L181 Q182 L185E133-M137 HydrophobicContact CG-CE 4.31Å; E133-M137 PolarHBondContact O-N 2.8Å; H134-M137 PolarHBondContact O-N 3.21Å; E135-M137 PolarHBondContact O-N 3.29Å; M137-K140 PolarHBondContact O-N 3.12Å; M137-L141 PolarHBondContact O-N 2.9Å; M137-L178 HydrophobicContact CE-CD1 3.69Å; M137-L178 HydrophobicContact CE-CD2 4.23Å; M137-L178 HydrophobicContact CE-CG 4.25Å; M137-L181 HydrophobicContact CB-CD2 3.88Å; M137-L181 HydrophobicContact CB-CG 4.23Å; M137-Q182 HydrophobicContact SD-CG 3.92Å; M137-L185 HydrophobicContact CB-CD2 3.97Å; M137-L185 HydrophobicContact CG-CD2 3.93Å
138L98.1Very high97Very high0 Ų062.6 Ų62.60%032%0.323CS..Hα-helixtrans-67.9-41.4179.2-175.764.6000112.2Y127 H134 E135 S136 K140 L141 W142 R154 W159 F164 P169 F173 L181Y127-L138 HydrophobicContact CE2-CB 4.14Å; Y127-L138 HydrophobicContact CE2-CD2 4.28Å; Y127-L138 WeakPolarHBondContact OH-CD2 3.38Å; H134-L138 PolarHBondContact O-N 3.18Å; H134-L138 VanDerWaalsContact O-N 3.07Å; E135-L138 PolarHBondContact O-N 3.48Å; E135-L138 VanDerWaalsContact O-N 3.17Å; S136-L138 PolarHBondContact O-N 3.06Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.44Å; L138-L141 HydrophobicContact CD1-CD2 4.41Å; L138-L141 WeakPolarHBondContact O-CB 3.47Å; L138-L141 PolarHBondContact O-N 3.39Å; L138-W142 PolarHBondContact O-N 2.96Å; L138-W142 VanDerWaalsContact O-N 3.17Å; L138-R154 VanDerWaalsContact CD2-NH2 3.28Å; L138-W159 HydrophobicContact CD1-CH2 3.93Å; L138-W159 HydrophobicContact CD1-CZ3 3.9Å; L138-W159 HydrophobicContact CD2-CH2 4.06Å; L138-W159 HydrophobicContact CD2-CZ2 4.09Å; L138-W159 HydrophobicContact CG-CH2 3.58Å; L138-W159 HydrophobicContact CG-CZ2 4.11Å; L138-W159 HydrophobicContact CG-CZ3 4.09Å; L138-F164 HydrophobicContact CD1-CE2 4.45Å; L138-F164 HydrophobicContact CD1-CZ 4.3Å; L138-P169 HydrophobicContact CD1-CB 4.05Å; L138-P169 HydrophobicContact CD1-CG 4.21Å; L138-P169 HydrophobicContact CD2-CB 4.1Å; L138-P169 HydrophobicContact CD2-CG 4.14Å; L138-F173 HydrophobicContact CD1-CE2 4.2Å; L138-F173 HydrophobicContact CD1-CZ 4.24Å; L138-L181 HydrophobicContact CB-CD1 4.35Å; L138-L181 HydrophobicContact CB-CD2 4.23Å; L138-L181 HydrophobicContact CD1-CD1 3.96Å
139M97.6Very high96.9Very high64 Ų6462.2 Ų62.232%0.31532%0.323SS..Hα-helixtrans-64.7-38.2174.9-65.5-47.6106.600111.4E135 S136 W142 K143 L151 W159E135-M139 WeakPolarHBondContact O-CG 3.33Å; E135-M139 PolarHBondContact O-N 2.89Å; S136-M139 PolarHBondContact O-N 2.99Å; M139-W142 WeakPolarHBondContact O-CB 3.43Å; M139-W142 PolarHBondContact O-N 3.08Å; M139-K143 PolarHBondContact O-N 2.89Å; M139-L151 HydrophobicContact CE-CD1 4.37Å; M139-L151 HydrophobicContact SD-CD1 3.71Å; M139-W159 HydrophobicContact CE-CH2 4.05Å; M139-W159 HydrophobicContact CE-CZ2 3.83Å
140K98Very high96.8Very high98 Ų9865.4 Ų65.443%0.42634%0.343SS..Hα-helixtrans-63.5-45.3175.8-163.4177.7-170.4-166.20111.1S136 M137 L138 W142 K143 E144 L185 E189S136-K140 VanDerWaalsContact O-CB 3.31Å; S136-K140 WeakPolarHBondContact O-CB 3.46Å; S136-K140 PolarHBondContact O-N 3.48Å; M137-K140 PolarHBondContact O-N 3.12Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.44Å; K140-W142 VanDerWaalsContact C-N 3.28Å; K140-W142 PolarHBondContact O-N 3.03Å; K140-K143 WeakPolarHBondContact O-CB 3.28Å; K140-K143 PolarHBondContact O-N 3.3Å; K140-E144 WeakPolarHBondContact O-CG 3.44Å; K140-E144 PolarHBondContact O-N 3.4Å; K140-L185 HydrophobicContact CB-CD1 4.06Å; K140-L185 HydrophobicContact CD-CD1 4.19Å; K140-L185 HydrophobicContact CD-CD2 4.42Å; K140-L185 HydrophobicContact CG-CD1 3.99Å; K140-E189 VanDerWaalsContact CD-OE1 3.23Å; K140-E189 WeakPolarHBondContact CD-OE1 3.46Å; K140-E189 WeakPolarHBondContact CE-OE1 3.33Å; K140-E189 IonicContact NZ-OE1 2.63Å; K140-E189 PolarHBondContact NZ-OE1 3.03Å
141L98.5Very high96.6Very high1 Ų159.6 Ų59.61%0.00532%0.317CS..Hα-helixtrans-54.4-45.7175.6174.763.4000111.5M137 L138 E144 L145 F164 L181 L184 L185 A188M137-L141 PolarHBondContact O-N 2.9Å; L138-L141 HydrophobicContact CD1-CD2 4.41Å; L138-L141 WeakPolarHBondContact O-CB 3.47Å; L138-L141 PolarHBondContact O-N 3.39Å; L141-E144 PolarHBondContact O-N 3.29Å; L141-L145 HydrophobicContact CD1-CD1 3.65Å; L141-L145 HydrophobicContact CD1-CG 4.17Å; L141-L145 HydrophobicContact CG-CD1 4.16Å; L141-L145 WeakPolarHBondContact O-CG 3.26Å; L141-L145 PolarHBondContact O-N 3.35Å; L141-L145 VanDerWaalsContact O-N 3.15Å; L141-F164 HydrophobicContact CD2-CE2 4.11Å; L141-F164 HydrophobicContact CD2-CZ 3.91Å; L141-L181 HydrophobicContact CB-CD1 4.46Å; L141-L181 HydrophobicContact CD2-CD1 3.87Å; L141-L184 HydrophobicContact CD1-CB 4.09Å; L141-L184 HydrophobicContact CD2-CB 3.99Å; L141-L184 HydrophobicContact CD2-CD1 4.27Å; L141-L185 HydrophobicContact CB-CD1 4.2Å; L141-A188 HydrophobicContact CD1-CB 3.99Å
142W98.1Very high96.5Very high9 Ų963.1 Ų63.13%0.03434%0.34CS..Hα-helixtrans-58.3-50.4175179.7-88.6000111.8L138 M139 K140 E144 L145 R146 T149 L151 Q158 W159 E161 I162L138-W142 PolarHBondContact O-N 2.96Å; L138-W142 VanDerWaalsContact O-N 3.17Å; M139-W142 WeakPolarHBondContact O-CB 3.43Å; M139-W142 PolarHBondContact O-N 3.08Å; K140-W142 VanDerWaalsContact C-N 3.28Å; K140-W142 PolarHBondContact O-N 3.03Å; W142-E144 VanDerWaalsContact C-N 3.27Å; W142-E144 PolarHBondContact O-N 3.26Å; W142-L145 PolarHBondContact O-N 2.98Å; W142-L145 VanDerWaalsContact O-N 3.14Å; W142-R146 HydrophobicContact CD2-CB 4.23Å; W142-R146 HydrophobicContact CH2-CB 4.35Å; W142-R146 HydrophobicContact CH2-CG 3.91Å; W142-R146 HydrophobicContact CZ2-CB 3.77Å; W142-R146 HydrophobicContact CZ2-CG 3.82Å; W142-R146 HydrophobicContact CZ3-CG 4.35Å; W142-R146 WeakPolarHBondContact O-CA 3.38Å; W142-R146 PolarHBondContact O-N 3.17Å; W142-T149 PolarHBondContact NE1-O 3.42Å; W142-L151 HydrophobicContact CB-CD1 4Å; W142-L151 HydrophobicContact CB-CG 4.47Å; W142-L151 HydrophobicContact CD2-CD1 4.03Å; W142-L151 HydrophobicContact CD2-CD2 3.53Å; W142-L151 HydrophobicContact CD2-CG 3.63Å; W142-L151 HydrophobicContact CE3-CD2 3.76Å; W142-L151 HydrophobicContact CE3-CG 4.33Å; W142-L151 HydrophobicContact CG-CD1 3.7Å; W142-L151 HydrophobicContact CG-CD2 4.1Å; W142-L151 HydrophobicContact CG-CG 3.65Å; W142-L151 HydrophobicContact CH2-CD2 4.12Å; W142-L151 HydrophobicContact CZ2-CD2 3.86Å; W142-L151 HydrophobicContact CZ2-CG 4.39Å; W142-L151 HydrophobicContact CZ3-CD2 4.05Å; W142-Q158 HydrophobicContact CH2-CB 3.54Å; W142-Q158 WeakPolarHBondContact CH2-O 3.49Å; W142-Q158 HydrophobicContact CZ2-CB 4.03Å; W142-Q158 HydrophobicContact CZ3-CB 4.12Å; W142-Q158 WeakPolarHBondContact CZ3-O 3.41Å; W142-W159 HydrophobicContact CB-CH2 3.92Å; W142-W159 HydrophobicContact CB-CZ3 3.9Å; W142-W159 HydrophobicContact CD2-CZ3 4.36Å; W142-W159 HydrophobicContact CE3-CD2 4.36Å; W142-W159 AromaticContact CE3-CE3 3.68Å; W142-W159 HydrophobicContact CE3-CE3 3.68Å; W142-W159 HydrophobicContact CE3-CH2 4.38Å; W142-W159 AromaticContact CE3-CZ3 3.7Å; W142-W159 HydrophobicContact CE3-CZ3 3.7Å; W142-W159 HydrophobicContact CG-CZ3 4.48Å; W142-W159 HydrophobicContact CZ3-CE3 4.23Å; W142-E161 HydrophobicContact CH2-CB 4.39Å; W142-I162 HydrophobicContact CE3-CD1 3.73Å; W142-I162 HydrophobicContact CE3-CG1 4.17Å; W142-I162 HydrophobicContact CE3-CG2 4.22Å; W142-I162 HydrophobicContact CZ3-CD1 4.15Å; W142-I162 HydrophobicContact CZ3-CG1 4.06Å; W142-I162 HydrophobicContact CZ3-CG2 3.88Å
143K97.1Very high96.3Very high139 Ų13958.6 Ų58.660%0.60432%0.318SS*.Hα-helixtrans-59.8-36.3-179.6-174.7-178.7177.1-176.50112.8M139 K140 P147M139-K143 PolarHBondContact O-N 2.89Å; K140-K143 WeakPolarHBondContact O-CB 3.28Å; K140-K143 PolarHBondContact O-N 3.3Å; K143-P147 VanDerWaalsContact O-CA 3.32Å; K143-P147 WeakPolarHBondContact O-CA 3.33Å
144E97.5Very high96.1Very high33 Ų3355.1 Ų55.115%0.15430%0.3CS..Hα-helixtrans-68.3-39177-65.9-55.2119.900111.9K140 L141 W142 L185 A188 E189 R192K140-E144 WeakPolarHBondContact O-CG 3.44Å; K140-E144 PolarHBondContact O-N 3.4Å; L141-E144 PolarHBondContact O-N 3.29Å; W142-E144 VanDerWaalsContact C-N 3.27Å; W142-E144 PolarHBondContact O-N 3.26Å; E144-L185 HydrophobicContact CG-CD1 4.47Å; E144-A188 HydrophobicContact CB-CB 3.77Å; E144-A188 HydrophobicContact CG-CB 4.47Å; E144-E189 HydrophobicContact CG-CG 4.08Å; E144-R192 VanDerWaalsContact CD-NH1 3.28Å; E144-R192 VanDerWaalsContact O-CZ 3.24Å; E144-R192 PolarHBondContact O-NH2 3.22Å; E144-R192 IonicContact OE1-NH1 3.59Å; E144-R192 IonicContact OE2-CZ 3.65Å; E144-R192 IonicContact OE2-NH1 2.6Å; E144-R192 PolarHBondContact OE2-NH1 3.13Å
145L96.6Very high96Very high4 Ų460.4 Ų60.42%0.02133%0.327CS..Hα-helixtrans-90.9-21.9-176.1-64.8178.3000114.9L141 W142 I162 A188 A195 L196 L199 F228L141-L145 HydrophobicContact CD1-CD1 3.65Å; L141-L145 HydrophobicContact CD1-CG 4.17Å; L141-L145 HydrophobicContact CG-CD1 4.16Å; L141-L145 WeakPolarHBondContact O-CG 3.26Å; L141-L145 PolarHBondContact O-N 3.35Å; L141-L145 VanDerWaalsContact O-N 3.15Å; W142-L145 PolarHBondContact O-N 2.98Å; W142-L145 VanDerWaalsContact O-N 3.14Å; L145-I162 HydrophobicContact CB-CG2 4.06Å; L145-I162 HydrophobicContact CD1-CB 4.24Å; L145-I162 HydrophobicContact CD1-CD1 4.11Å; L145-I162 HydrophobicContact CD1-CG2 4.45Å; L145-A188 HydrophobicContact CD2-CB 3.93Å; L145-A188 HydrophobicContact CG-CB 4.17Å; L145-A195 HydrophobicContact CD2-CB 4.22Å; L145-L196 HydrophobicContact CD2-CD2 4.35Å; L145-L199 HydrophobicContact CB-CD2 3.88Å; L145-L199 HydrophobicContact CD1-CD2 4.47Å; L145-L199 HydrophobicContact CD2-CD2 4.18Å; L145-L199 HydrophobicContact CG-CD2 4.4Å; L145-F228 HydrophobicContact CD1-CD1 4.28Å; L145-F228 HydrophobicContact CD1-CE1 3.77Å; L145-F228 HydrophobicContact CD2-CE1 4.33Å; L145-F228 HydrophobicContact CD2-CZ 4.37Å
146R95.1Very high96Very high45 Ų4559.4 Ų59.417%0.1732%0.323CS..  trans-139.563.7-178.4-71.3-70.4-177.2-91.9-0.3110.6W142 D148 T149 E161 I162W142-R146 HydrophobicContact CD2-CB 4.23Å; W142-R146 HydrophobicContact CH2-CB 4.35Å; W142-R146 HydrophobicContact CH2-CG 3.91Å; W142-R146 HydrophobicContact CZ2-CB 3.77Å; W142-R146 HydrophobicContact CZ2-CG 3.82Å; W142-R146 HydrophobicContact CZ3-CG 4.35Å; W142-R146 WeakPolarHBondContact O-CA 3.38Å; W142-R146 PolarHBondContact O-N 3.17Å; R146-D148 PolarHBondContact O-N 3.26Å; R146-T149 PolarHBondContact O-N 2.71Å; R146-E161 IonicContact NE-OE2 3.72Å; R146-E161 PolarHBondContact NH2-O 2.89Å; R146-I162 HydrophobicContact CG-CG2 3.7Å
147P92.2Very high95.8Very high66 Ų6663.5 Ų63.543%0.42933%0.331SS..THydrogen-bonded Turntrans-61.2-31.5-176.525.4-35.4000113.4K143K143-P147 VanDerWaalsContact O-CA 3.32Å; K143-P147 WeakPolarHBondContact O-CA 3.33Å
148D92.8Very high95.7Very high150 Ų15063.2 Ų63.280%0.80233%0.33SS*.THydrogen-bonded Turntrans-92.4-3.1-172.8-52.4-52.5000113.7R146R146-D148 PolarHBondContact O-N 3.26Å
149T93.9Very high95.6Very high58 Ų5863.2 Ų63.236%0.35633%0.33SS..SBendtrans-131.795.1-175-54.80000109.7W142 R146W142-T149 PolarHBondContact NE1-O 3.42Å; R146-T149 PolarHBondContact O-N 2.71Å
150P93.5Very high95.4Very high104 Ų10463 Ų6368%0.67533%0.334SS*.  trans-60.3150.9175.3-22.633.5000112.3T152 Q158P150-T152 PolarHBondContact O-N 3.27Å; P150-Q158 PolarHBondContact O-NE2 2.98Å
151L94.4Very high95.2Very high38 Ų3861.9 Ų61.920%0.19933%0.33CS..  trans-68.4131169-73.7167000110M139 W142 G153 Q158 W159M139-L151 HydrophobicContact CE-CD1 4.37Å; M139-L151 HydrophobicContact SD-CD1 3.71Å; W142-L151 HydrophobicContact CB-CD1 4Å; W142-L151 HydrophobicContact CB-CG 4.47Å; W142-L151 HydrophobicContact CD2-CD1 4.03Å; W142-L151 HydrophobicContact CD2-CD2 3.53Å; W142-L151 HydrophobicContact CD2-CG 3.63Å; W142-L151 HydrophobicContact CE3-CD2 3.76Å; W142-L151 HydrophobicContact CE3-CG 4.33Å; W142-L151 HydrophobicContact CG-CD1 3.7Å; W142-L151 HydrophobicContact CG-CD2 4.1Å; W142-L151 HydrophobicContact CG-CG 3.65Å; W142-L151 HydrophobicContact CH2-CD2 4.12Å; W142-L151 HydrophobicContact CZ2-CD2 3.86Å; W142-L151 HydrophobicContact CZ2-CG 4.39Å; W142-L151 HydrophobicContact CZ3-CD2 4.05Å; L151-G153 PolarHBondContact O-N 3.19Å; L151-Q158 HydrophobicContact CD2-CB 3.85Å; L151-W159 HydrophobicContact CD1-CH2 3.53Å; L151-W159 HydrophobicContact CD1-CZ2 3.31Å; L151-W159 HydrophobicContact CD1-CZ3 4.45Å; L151-W159 HydrophobicContact CD2-CD2 4.47Å; L151-W159 HydrophobicContact CD2-CZ2 4.18Å; L151-W159 HydrophobicContact CG-CZ2 4.39Å
152T94.6Very high95Very high124 Ų12461.9 Ų61.976%0.76133%0.33SS*.SBendtrans-70-23.417054.60000112.1P150 Q158P150-T152 PolarHBondContact O-N 3.27Å; T152-Q158 PolarHBondContact OG1-OE1 2.8Å
153G94Very high94.9Very high28 Ų2861.8 Ų61.829%0.28933%0.332SS..  trans-177.3161.6175.700000111.8L151 I155 S156L151-G153 PolarHBondContact O-N 3.19Å; G153-I155 VanDerWaalsContact C-N 3.27Å; G153-I155 PolarHBondContact O-N 2.96Å; G153-S156 PolarHBondContact O-OG 3.32Å; G153-S156 VanDerWaalsContact O-OG 3.11Å
154R94.8Very high94.8Very high56 Ų5655.4 Ų55.421%0.21130%0.304CS..SBendtrans-59.2-37.6179.2174.355.3-175.576.85.2112.8Y127 E135 L138 W159 D168Y127-R154 VanDerWaalsContact CE1-NH2 3.29Å; Y127-R154 PolarHBondContact OH-NH2 2.92Å; E135-R154 VanDerWaalsContact CD-NE 3.28Å; E135-R154 IonicContact OE1-CZ 2.68Å; E135-R154 IonicContact OE1-NE 3.37Å; E135-R154 PolarHBondContact OE1-NE 2.85Å; E135-R154 IonicContact OE1-NH2 3.55Å; E135-R154 PolarHBondContact OE1-NH2 3.33Å; E135-R154 WeakPolarHBondContact OE2-CD 3.3Å; E135-R154 IonicContact OE2-NE 2.83Å; E135-R154 PolarHBondContact OE2-NE 3.18Å; L138-R154 VanDerWaalsContact CD2-NH2 3.28Å; R154-W159 PolarHBondContact O-NE1 2.72Å; R154-D168 IonicContact CZ-OD1 2.82Å; R154-D168 IonicContact NH1-OD1 2.73Å; R154-D168 PolarHBondContact NH1-OD1 2.85Å; R154-D168 IonicContact NH2-OD1 2.96Å; R154-D168 PolarHBondContact NH2-OD1 2.94Å; R154-D168 VanDerWaalsContact NH2-OD1 3.08Å
155I96Very high94.6Very high117 Ų11759.4 Ų59.460%0.632%0.323SS*.SBendtrans-106.6106.9173.2-59175.3000107.1G153 N167G153-I155 VanDerWaalsContact C-N 3.27Å; G153-I155 PolarHBondContact O-N 2.96Å; I155-N167 CarbonylContact C-O 3.43Å; I155-N167 WeakPolarHBondContact CA-O 3.47Å; I155-N167 HydrophobicContact CG2-CB 3.86Å
156S95.9Very high94.3Very high11 Ų1161 Ų618%0.07734%0.34CS..SBendtrans-157.7155.5-176.165.40000111.5G153 Q158 W159 N167G153-S156 PolarHBondContact O-OG 3.32Å; G153-S156 VanDerWaalsContact O-OG 3.11Å; S156-Q158 PolarHBondContact O-N 3.31Å; S156-Q158 VanDerWaalsContact O-N 3.15Å; S156-W159 VanDerWaalsContact O-CD1 3.27Å; S156-N167 PolarHBondContact N-O 3.29Å; S156-N167 VanDerWaalsContact O-CA 3.26Å; S156-N167 WeakPolarHBondContact O-CA 3.36Å
157K94.3Very high94.2Very high163 Ų16362.2 Ų62.271%0.70935%0.35SS*.G310 helixtrans-63.7-15.9175.6-76.4-176.1175.5-173.40113.2W159 C160 N167K157-W159 PolarHBondContact O-N 3.4Å; K157-C160 VanDerWaalsContact O-CB 3.28Å; K157-C160 WeakPolarHBondContact O-CB 3.41Å; K157-C160 PolarHBondContact O-N 2.84Å; K157-N167 WeakPolarHBondContact CG-OD1 3.47Å
158Q95.9Very high94.4Very high20 Ų2060.9 Ų60.99%0.09334%0.339CS..G310 helixtrans-58.5-31.1-178.3-70-179.2-92.100112.2W142 P150 L151 T152 S156 C160 E161W142-Q158 HydrophobicContact CH2-CB 3.54Å; W142-Q158 WeakPolarHBondContact CH2-O 3.49Å; W142-Q158 HydrophobicContact CZ2-CB 4.03Å; W142-Q158 HydrophobicContact CZ3-CB 4.12Å; W142-Q158 WeakPolarHBondContact CZ3-O 3.41Å; P150-Q158 PolarHBondContact O-NE2 2.98Å; L151-Q158 HydrophobicContact CD2-CB 3.85Å; T152-Q158 PolarHBondContact OG1-OE1 2.8Å; S156-Q158 PolarHBondContact O-N 3.31Å; S156-Q158 VanDerWaalsContact O-N 3.15Å; Q158-C160 PolarHBondContact O-N 3.5Å; Q158-C160 VanDerWaalsContact O-N 3.12Å; Q158-E161 WeakPolarHBondContact O-CB 3.2Å; Q158-E161 VanDerWaalsContact O-CG 3.32Å; Q158-E161 WeakPolarHBondContact O-CG 3.32Å; Q158-E161 PolarHBondContact O-N 3.45Å
159W96.7Very high94.5Very high0 Ų053.7 Ų53.70%030%0.301CS..G310 helixtrans-57.4-28.8175.9-66.9115.1000114.3L138 M139 W142 L151 R154 S156 K157 E161 I162 G163 F164 N167 P169L138-W159 HydrophobicContact CD1-CH2 3.93Å; L138-W159 HydrophobicContact CD1-CZ3 3.9Å; L138-W159 HydrophobicContact CD2-CH2 4.06Å; L138-W159 HydrophobicContact CD2-CZ2 4.09Å; L138-W159 HydrophobicContact CG-CH2 3.58Å; L138-W159 HydrophobicContact CG-CZ2 4.11Å; L138-W159 HydrophobicContact CG-CZ3 4.09Å; M139-W159 HydrophobicContact CE-CH2 4.05Å; M139-W159 HydrophobicContact CE-CZ2 3.83Å; W142-W159 HydrophobicContact CB-CH2 3.92Å; W142-W159 HydrophobicContact CB-CZ3 3.9Å; W142-W159 HydrophobicContact CD2-CZ3 4.36Å; W142-W159 HydrophobicContact CE3-CD2 4.36Å; W142-W159 AromaticContact CE3-CE3 3.68Å; W142-W159 HydrophobicContact CE3-CE3 3.68Å; W142-W159 HydrophobicContact CE3-CH2 4.38Å; W142-W159 AromaticContact CE3-CZ3 3.7Å; W142-W159 HydrophobicContact CE3-CZ3 3.7Å; W142-W159 HydrophobicContact CG-CZ3 4.48Å; W142-W159 HydrophobicContact CZ3-CE3 4.23Å; L151-W159 HydrophobicContact CD1-CH2 3.53Å; L151-W159 HydrophobicContact CD1-CZ2 3.31Å; L151-W159 HydrophobicContact CD1-CZ3 4.45Å; L151-W159 HydrophobicContact CD2-CD2 4.47Å; L151-W159 HydrophobicContact CD2-CZ2 4.18Å; L151-W159 HydrophobicContact CG-CZ2 4.39Å; R154-W159 PolarHBondContact O-NE1 2.72Å; S156-W159 VanDerWaalsContact O-CD1 3.27Å; K157-W159 PolarHBondContact O-N 3.4Å; W159-E161 PolarHBondContact O-N 3.15Å; W159-I162 HydrophobicContact CE3-CD1 3.89Å; W159-I162 HydrophobicContact CE3-CG1 4.36Å; W159-I162 HydrophobicContact CZ3-CD1 3.97Å; W159-I162 WeakPolarHBondContact O-CG1 3.46Å; W159-I162 PolarHBondContact O-N 2.98Å; W159-G163 PolarHBondContact O-N 3.25Å; W159-F164 HydrophobicContact CB-CB 4.1Å; W159-F164 HydrophobicContact CB-CD2 4.37Å; W159-F164 AromaticContact CE3-CD2 3.83Å; W159-F164 HydrophobicContact CE3-CD2 3.83Å; W159-F164 HydrophobicContact CE3-CE2 4.01Å; W159-F164 HydrophobicContact CZ3-CE2 4.32Å; W159-F164 PolarHBondContact O-N 3.14Å; W159-F164 VanDerWaalsContact O-N 3.13Å; W159-N167 VanDerWaalsContact CD1-O 3.23Å; W159-P169 HydrophobicContact CB-CG 4Å; W159-P169 HydrophobicContact CD2-CG 3.34Å; W159-P169 HydrophobicContact CE3-CG 3.58Å; W159-P169 HydrophobicContact CG-CG 3.54Å; W159-P169 HydrophobicContact CZ2-CG 4.39Å; W159-P169 HydrophobicContact CZ3-CG 4.21Å
160C93.8Very high94.5Very high59 Ų5954.6 Ų54.640%0.39930%0.3SS..G310 helixtrans-63.5-26.9173.7-670000112.2K157 Q158 I162 G163 G166K157-C160 VanDerWaalsContact O-CB 3.28Å; K157-C160 WeakPolarHBondContact O-CB 3.41Å; K157-C160 PolarHBondContact O-N 2.84Å; Q158-C160 PolarHBondContact O-N 3.5Å; Q158-C160 VanDerWaalsContact O-N 3.12Å; C160-I162 VanDerWaalsContact C-N 3.26Å; C160-I162 PolarHBondContact O-N 3.44Å; C160-G163 PolarHBondContact O-N 2.95Å; C160-G166 PolarHBondContact SG-O 3.34Å
161E93.2Very high94.4Very high75 Ų7552.2 Ų52.235%0.3528%0.283SS..G310 helixtrans-67.2-26.1179.8-59.8172.5-152.400113.1W142 R146 Q158 W159W142-E161 HydrophobicContact CH2-CB 4.39Å; R146-E161 IonicContact NE-OE2 3.72Å; R146-E161 PolarHBondContact NH2-O 2.89Å; Q158-E161 WeakPolarHBondContact O-CB 3.2Å; Q158-E161 VanDerWaalsContact O-CG 3.32Å; Q158-E161 WeakPolarHBondContact O-CG 3.32Å; Q158-E161 PolarHBondContact O-N 3.45Å; W159-E161 PolarHBondContact O-N 3.15Å
162I95.4Very high94.5Very high0 Ų051.1 Ų51.10%028%0.278CS..G310 helixtrans-102.210.9172.869.2171.7000112.2W142 L145 R146 W159 C160 F164 L199 A229W142-I162 HydrophobicContact CE3-CD1 3.73Å; W142-I162 HydrophobicContact CE3-CG1 4.17Å; W142-I162 HydrophobicContact CE3-CG2 4.22Å; W142-I162 HydrophobicContact CZ3-CD1 4.15Å; W142-I162 HydrophobicContact CZ3-CG1 4.06Å; W142-I162 HydrophobicContact CZ3-CG2 3.88Å; L145-I162 HydrophobicContact CB-CG2 4.06Å; L145-I162 HydrophobicContact CD1-CB 4.24Å; L145-I162 HydrophobicContact CD1-CD1 4.11Å; L145-I162 HydrophobicContact CD1-CG2 4.45Å; R146-I162 HydrophobicContact CG-CG2 3.7Å; W159-I162 HydrophobicContact CE3-CD1 3.89Å; W159-I162 HydrophobicContact CE3-CG1 4.36Å; W159-I162 HydrophobicContact CZ3-CD1 3.97Å; W159-I162 WeakPolarHBondContact O-CG1 3.46Å; W159-I162 PolarHBondContact O-N 2.98Å; C160-I162 VanDerWaalsContact C-N 3.26Å; C160-I162 PolarHBondContact O-N 3.44Å; I162-F164 HydrophobicContact CD1-CD2 3.88Å; I162-F164 HydrophobicContact CD1-CE2 3.61Å; I162-F164 HydrophobicContact CG1-CD2 3.69Å; I162-F164 HydrophobicContact CG1-CE2 3.92Å; I162-L199 HydrophobicContact CB-CD1 4.45Å; I162-L199 HydrophobicContact CB-CD2 4.43Å; I162-L199 HydrophobicContact CG2-CD2 4.01Å; I162-A229 WeakPolarHBondContact O-CB 3.19Å; I162-A229 PolarHBondContact O-N 3.07Å; I162-A229 VanDerWaalsContact O-N 3.17Å
163G94.5Very high94.5Very high7 Ų745.4 Ų45.47%0.07224%0.242CC..THydrogen-bonded Turntrans83.527.1170.200000115.5W159 C160 S227 A229 I230W159-G163 PolarHBondContact O-N 3.25Å; C160-G163 PolarHBondContact O-N 2.95Å; G163-S227 VanDerWaalsContact O-CB 3.28Å; G163-S227 WeakPolarHBondContact O-CB 3.29Å; G163-A229 WeakPolarHBondContact O-CB 3.35Å; G163-I230 WeakPolarHBondContact O-CG1 3.44Å; G163-I230 PolarHBondContact O-N 2.98Å
164F96.4Very high94.3Very high6 Ų653.4 Ų53.43%0.02626%0.264CS..  trans-80.4163.1162.9-74.3-73000111.5L138 L141 W159 I162 P169 D172 F173 L184 A229 I233L138-F164 HydrophobicContact CD1-CE2 4.45Å; L138-F164 HydrophobicContact CD1-CZ 4.3Å; L141-F164 HydrophobicContact CD2-CE2 4.11Å; L141-F164 HydrophobicContact CD2-CZ 3.91Å; W159-F164 HydrophobicContact CB-CB 4.1Å; W159-F164 HydrophobicContact CB-CD2 4.37Å; W159-F164 AromaticContact CE3-CD2 3.83Å; W159-F164 HydrophobicContact CE3-CD2 3.83Å; W159-F164 HydrophobicContact CE3-CE2 4.01Å; W159-F164 HydrophobicContact CZ3-CE2 4.32Å; W159-F164 PolarHBondContact O-N 3.14Å; W159-F164 VanDerWaalsContact O-N 3.13Å; I162-F164 HydrophobicContact CD1-CD2 3.88Å; I162-F164 HydrophobicContact CD1-CE2 3.61Å; I162-F164 HydrophobicContact CG1-CD2 3.69Å; I162-F164 HydrophobicContact CG1-CE2 3.92Å; F164-P169 HydrophobicContact CB-CG 4.27Å; F164-P169 HydrophobicContact CD1-CB 3.7Å; F164-P169 HydrophobicContact CD1-CG 4.15Å; F164-P169 HydrophobicContact CD2-CB 4.18Å; F164-P169 HydrophobicContact CD2-CG 3.79Å; F164-P169 HydrophobicContact CE1-CB 3.79Å; F164-P169 HydrophobicContact CE1-CG 4.45Å; F164-P169 HydrophobicContact CE2-CB 4.26Å; F164-P169 HydrophobicContact CE2-CG 4.12Å; F164-P169 HydrophobicContact CG-CB 3.91Å; F164-P169 HydrophobicContact CG-CG 3.81Å; F164-P169 HydrophobicContact CZ-CB 4.08Å; F164-P169 HydrophobicContact CZ-CG 4.44Å; F164-D172 WeakPolarHBondContact CB-OD2 3.18Å; F164-D172 HydrophobicContact CD1-CB 4.02Å; F164-D172 WeakPolarHBondContact CD1-OD2 3.45Å; F164-F173 AromaticContact CE1-CE1 3.82Å; F164-F173 HydrophobicContact CE1-CE1 3.82Å; F164-F173 HydrophobicContact CE1-CE2 4.13Å; F164-F173 AromaticContact CE1-CZ 3.42Å; F164-F173 HydrophobicContact CE1-CZ 3.42Å; F164-F173 VanDerWaalsContact CE1-CZ 3.42Å; F164-F173 HydrophobicContact CZ-CE1 4.25Å; F164-F173 HydrophobicContact CZ-CE2 4.46Å; F164-F173 AromaticContact CZ-CZ 3.62Å; F164-F173 HydrophobicContact CZ-CZ 3.62Å; F164-L184 HydrophobicContact CE1-CD1 4.35Å; F164-L184 HydrophobicContact CZ-CD1 4.09Å; F164-A229 HydrophobicContact CD1-CB 3.73Å; F164-A229 HydrophobicContact CD2-CB 3.89Å; F164-A229 HydrophobicContact CE1-CB 3.68Å; F164-A229 HydrophobicContact CE2-CB 3.84Å; F164-A229 HydrophobicContact CG-CB 3.83Å; F164-A229 HydrophobicContact CZ-CB 3.73Å; F164-I233 HydrophobicContact CE1-CD1 4.2Å
165Q91.8Very high94.2Very high116 Ų11652.8 Ų52.854%0.54228%0.275SS..SBendtrans-90.7121.6175.6-64.1172.8-500110.7D172 I230Q165-D172 VanDerWaalsContact CB-OD1 3.24Å; Q165-D172 WeakPolarHBondContact CB-OD1 3.41Å; Q165-D172 WeakPolarHBondContact CG-OD1 3.39Å; Q165-D172 PolarHBondContact N-OD2 3.43Å; Q165-D172 PolarHBondContact OE1-OD1 3.24Å; Q165-I230 HydrophobicContact CG-CD1 3.7Å; Q165-I230 HydrophobicContact CG-CG1 3.82Å
166G91.1Very high94.3Very high37 Ų3747.7 Ų47.738%0.38125%0.249SC..THydrogen-bonded Turntrans70-154.5176.200000113.3C160C160-G166 PolarHBondContact SG-O 3.34Å
167N94Very high94.3Very high71 Ų7147.3 Ų47.338%0.3825%0.246SC..THydrogen-bonded Turntrans-94.2-7.1-168.4-59.6-8.7000114I155 S156 K157 W159I155-N167 CarbonylContact C-O 3.43Å; I155-N167 WeakPolarHBondContact CA-O 3.47Å; I155-N167 HydrophobicContact CG2-CB 3.86Å; S156-N167 PolarHBondContact N-O 3.29Å; S156-N167 VanDerWaalsContact O-CA 3.26Å; S156-N167 WeakPolarHBondContact O-CA 3.36Å; K157-N167 WeakPolarHBondContact CG-OD1 3.47Å; W159-N167 VanDerWaalsContact CD1-O 3.23Å
168D95.1Very high94.5Very high38 Ų3839.8 Ų39.820%0.20321%0.214CC..  trans-139.4108.3-177.2-175.15.5000111.7R154 K170 T171R154-D168 IonicContact CZ-OD1 2.82Å; R154-D168 IonicContact NH1-OD1 2.73Å; R154-D168 PolarHBondContact NH1-OD1 2.85Å; R154-D168 IonicContact NH2-OD1 2.96Å; R154-D168 PolarHBondContact NH2-OD1 2.94Å; R154-D168 VanDerWaalsContact NH2-OD1 3.08Å; D168-K170 PolarHBondContact O-N 3.44Å; D168-K170 WeakPolarHBondContact OD1-CB 3.34Å; D168-K170 PolarHBondContact OD1-N 2.81Å; D168-T171 PolarHBondContact O-N 3.22Å; D168-T171 PolarHBondContact O-OG1 3.36Å
169P95.9Very high94.7Very high0 Ų038.9 Ų38.90%021%0.209CC..G310 helixtrans-54.8-21.2176.6-30.937.7000115.4L138 W159 F164 T171 D172 F173L138-P169 HydrophobicContact CD1-CB 4.05Å; L138-P169 HydrophobicContact CD1-CG 4.21Å; L138-P169 HydrophobicContact CD2-CB 4.1Å; L138-P169 HydrophobicContact CD2-CG 4.14Å; W159-P169 HydrophobicContact CB-CG 4Å; W159-P169 HydrophobicContact CD2-CG 3.34Å; W159-P169 HydrophobicContact CE3-CG 3.58Å; W159-P169 HydrophobicContact CG-CG 3.54Å; W159-P169 HydrophobicContact CZ2-CG 4.39Å; W159-P169 HydrophobicContact CZ3-CG 4.21Å; F164-P169 HydrophobicContact CB-CG 4.27Å; F164-P169 HydrophobicContact CD1-CB 3.7Å; F164-P169 HydrophobicContact CD1-CG 4.15Å; F164-P169 HydrophobicContact CD2-CB 4.18Å; F164-P169 HydrophobicContact CD2-CG 3.79Å; F164-P169 HydrophobicContact CE1-CB 3.79Å; F164-P169 HydrophobicContact CE1-CG 4.45Å; F164-P169 HydrophobicContact CE2-CB 4.26Å; F164-P169 HydrophobicContact CE2-CG 4.12Å; F164-P169 HydrophobicContact CG-CB 3.91Å; F164-P169 HydrophobicContact CG-CG 3.81Å; F164-P169 HydrophobicContact CZ-CB 4.08Å; F164-P169 HydrophobicContact CZ-CG 4.44Å; P169-T171 PolarHBondContact O-N 2.96Å; P169-D172 WeakPolarHBondContact O-CB 3.46Å; P169-D172 PolarHBondContact O-N 3.27Å; P169-F173 HydrophobicContact CB-CE2 3.78Å; P169-F173 HydrophobicContact CB-CZ 4.34Å; P169-F173 WeakPolarHBondContact O-CD2 3.46Å
170K93.9Very high94.8Very high77 Ų7738.9 Ų38.934%0.33521%0.209SC..G310 helixtrans-49.9-36.7179.7177.7168.9-171.1170.70112.5Y127 S129 D168 D172Y127-K170 HydrophobicContact CD1-CB 3.94Å; Y127-K170 HydrophobicContact CD1-CD 4.37Å; Y127-K170 HydrophobicContact CD1-CG 3.93Å; Y127-K170 HydrophobicContact CE1-CB 4.33Å; S129-K170 PolarHBondContact OG-NZ 3.06Å; S129-K170 VanDerWaalsContact OG-NZ 3.13Å; D168-K170 PolarHBondContact O-N 3.44Å; D168-K170 WeakPolarHBondContact OD1-CB 3.34Å; D168-K170 PolarHBondContact OD1-N 2.81Å; K170-D172 VanDerWaalsContact C-N 3.34Å
171T90.1Very high95Very high53 Ų5336 Ų3633%0.32519%0.19SC..G310 helixtrans-75.8-21.1-176.465.50000114.3D168 P169 R174D168-T171 PolarHBondContact O-N 3.22Å; D168-T171 PolarHBondContact O-OG1 3.36Å; P169-T171 PolarHBondContact O-N 2.96Å; T171-R174 WeakPolarHBondContact O-CD 3.48Å; T171-R174 VanDerWaalsContact O-CG 3.28Å; T171-R174 WeakPolarHBondContact O-CG 3.48Å; T171-R174 PolarHBondContact O-NE 3.31Å; T171-R174 PolarHBondContact O-NH1 3.17Å
172D96.2Very high95.2Very high16 Ų1634.1 Ų34.19%0.08618%0.181CC..G310 helixtrans-81-30.6-179.1-66.7-51.8000112.2F164 Q165 P169 K170 R174 I230 I233F164-D172 WeakPolarHBondContact CB-OD2 3.18Å; F164-D172 HydrophobicContact CD1-CB 4.02Å; F164-D172 WeakPolarHBondContact CD1-OD2 3.45Å; Q165-D172 VanDerWaalsContact CB-OD1 3.24Å; Q165-D172 WeakPolarHBondContact CB-OD1 3.41Å; Q165-D172 WeakPolarHBondContact CG-OD1 3.39Å; Q165-D172 PolarHBondContact N-OD2 3.43Å; Q165-D172 PolarHBondContact OE1-OD1 3.24Å; P169-D172 WeakPolarHBondContact O-CB 3.46Å; P169-D172 PolarHBondContact O-N 3.27Å; K170-D172 VanDerWaalsContact C-N 3.34Å; D172-R174 PolarHBondContact O-N 2.72Å; D172-I230 HydrophobicContact CB-CD1 3.91Å; D172-I230 VanDerWaalsContact CG-CD1 3.5Å; D172-I230 WeakPolarHBondContact OD1-CD1 3.28Å; D172-I233 HydrophobicContact CB-CD1 3.83Å
173F95.8Very high95.4Very high3 Ų334.1 Ų34.11%0.01318%0.181CC..G310 helixtrans-75.80.2-179.1-59.9-57.2000114.3Y127 L138 F164 P169 G175 M176 G177 L181 L184 I233Y127-F173 HydrophobicContact CD2-CD2 4.18Å; Y127-F173 HydrophobicContact CD2-CE2 4.37Å; Y127-F173 HydrophobicContact CG-CD2 4.05Å; L138-F173 HydrophobicContact CD1-CE2 4.2Å; L138-F173 HydrophobicContact CD1-CZ 4.24Å; F164-F173 AromaticContact CE1-CE1 3.82Å; F164-F173 HydrophobicContact CE1-CE1 3.82Å; F164-F173 HydrophobicContact CE1-CE2 4.13Å; F164-F173 AromaticContact CE1-CZ 3.42Å; F164-F173 HydrophobicContact CE1-CZ 3.42Å; F164-F173 VanDerWaalsContact CE1-CZ 3.42Å; F164-F173 HydrophobicContact CZ-CE1 4.25Å; F164-F173 HydrophobicContact CZ-CE2 4.46Å; F164-F173 AromaticContact CZ-CZ 3.62Å; F164-F173 HydrophobicContact CZ-CZ 3.62Å; P169-F173 HydrophobicContact CB-CE2 3.78Å; P169-F173 HydrophobicContact CB-CZ 4.34Å; P169-F173 WeakPolarHBondContact O-CD2 3.46Å; F173-G175 VanDerWaalsContact C-N 3.26Å; F173-G175 PolarHBondContact O-N 3.25Å; F173-G175 VanDerWaalsContact O-N 3.12Å; F173-M176 PolarHBondContact O-N 2.66Å; F173-G177 VanDerWaalsContact O-CA 3.26Å; F173-G177 WeakPolarHBondContact O-CA 3.3Å; F173-G177 PolarHBondContact O-N 2.93Å; F173-L181 HydrophobicContact CD1-CB 4.32Å; F173-L181 HydrophobicContact CE1-CB 3.84Å; F173-L181 HydrophobicContact CE2-CB 4.44Å; F173-L181 HydrophobicContact CZ-CB 3.9Å; F173-L181 HydrophobicContact CZ-CD1 3.95Å; F173-L181 HydrophobicContact CZ-CG 4.4Å; F173-L184 HydrophobicContact CE1-CD1 4.24Å; F173-I233 HydrophobicContact CD1-CD1 3.77Å; F173-I233 HydrophobicContact CD1-CG1 4.23Å; F173-I233 HydrophobicContact CE1-CD1 3.81Å; F173-I233 HydrophobicContact CE1-CG1 4.24Å
174R90.6Very high95.6Very high197 Ų19733.8 Ų33.874%0.74318%0.178SC*.G310 helixtrans-54.1-38.4-174.1-70.1177.3-168.7124.2-11.4114.3T171 D172T171-R174 WeakPolarHBondContact O-CD 3.48Å; T171-R174 VanDerWaalsContact O-CG 3.28Å; T171-R174 WeakPolarHBondContact O-CG 3.48Å; T171-R174 PolarHBondContact O-NE 3.31Å; T171-R174 PolarHBondContact O-NH1 3.17Å; D172-R174 PolarHBondContact O-N 2.72Å
175G91Very high95.7Very high42 Ų4234.1 Ų34.143%0.43318%0.18SC..THydrogen-bonded Turntrans-78.1-41.5-177.100000113.7R123 F173R123-G175 PolarHBondContact NH1-O 3.06Å; F173-G175 VanDerWaalsContact C-N 3.26Å; F173-G175 PolarHBondContact O-N 3.25Å; F173-G175 VanDerWaalsContact O-N 3.12Å
176M97.8Very high96Very high11 Ų1129.6 Ų29.65%0.05416%0.158CC..THydrogen-bonded Turntrans-111.63.4-171.1-67.8-64.6115.100114.1R123 F173 L179 G180 I233 T236 D237R123-M176 WeakPolarHBondContact CA-O 3.4Å; R123-M176 HydrophobicContact CG-CE 4.14Å; R123-M176 HydrophobicContact CG-SD 3.9Å; R123-M176 CarbonylContact O-C 3.3Å; F173-M176 PolarHBondContact O-N 2.66Å; M176-L179 VanDerWaalsContact O-CB 3.3Å; M176-L179 WeakPolarHBondContact O-CB 3Å; M176-L179 PolarHBondContact O-N 3.01Å; M176-G180 PolarHBondContact O-N 3.34Å; M176-I233 HydrophobicContact CB-CG2 4.16Å; M176-I233 HydrophobicContact CG-CG2 4.05Å; M176-T236 HydrophobicContact CB-CG2 4.12Å; M176-T236 HydrophobicContact CG-CG2 4.03Å; M176-T236 HydrophobicContact SD-CG2 3.98Å; M176-D237 HydrophobicContact CE-CB 3.62Å; M176-D237 WeakPolarHBondContact CE-OD1 3.33Å; M176-D237 HydrophobicContact CG-CB 4.17Å; M176-D237 WeakPolarHBondContact SD-CA 3.29Å; M176-D237 HydrophobicContact SD-CB 3.73Å
177G97.6Very high96.3Very high2 Ų227.9 Ų27.92%0.02114%0.14CC..Hα-helixtrans50.8-145.4177.500000113.6R123 E125 F173 L179 G180R123-G177 WeakPolarHBondContact O-CA 3.35Å; R123-G177 PolarHBondContact O-N 2.57Å; E125-G177 CarbonylContact O-C 3.06Å; E125-G177 WeakPolarHBondContact O-CA 3.29Å; F173-G177 VanDerWaalsContact O-CA 3.26Å; F173-G177 WeakPolarHBondContact O-CA 3.3Å; F173-G177 PolarHBondContact O-N 2.93Å; G177-L179 PolarHBondContact O-N 3.25Å; G177-G180 PolarHBondContact O-N 3.14Å
178L98.4Very high96.5Very high6 Ų624.5 Ų24.53%0.03112%0.122CC..Hα-helixtrans-63.4-28.7177-163.163.9000112.7L122 E125 H134 M137 G180 L181 Q182L122-L178 HydrophobicContact CD2-CD2 4.15Å; L122-L178 PolarHBondContact O-N 3.43Å; E125-L178 HydrophobicContact CB-CB 4.2Å; E125-L178 HydrophobicContact CG-CB 4.25Å; E125-L178 HydrophobicContact CG-CD2 4.25Å; E125-L178 PolarHBondContact O-N 3.38Å; H134-L178 WeakPolarHBondContact NE2-CD2 3.3Å; M137-L178 HydrophobicContact CE-CD1 3.69Å; M137-L178 HydrophobicContact CE-CD2 4.23Å; M137-L178 HydrophobicContact CE-CG 4.25Å; L178-G180 VanDerWaalsContact C-N 3.26Å; L178-G180 PolarHBondContact O-N 3.06Å; L178-L181 HydrophobicContact CD1-CD2 4.23Å; L178-L181 PolarHBondContact O-N 3.47Å; L178-L181 VanDerWaalsContact O-N 3.15Å; L178-Q182 HydrophobicContact CG-CG 4.33Å; L178-Q182 PolarHBondContact O-N 3.49Å
179L98.8Very high96.6Very high0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-57-40.4175.8-177.571.3000111.8V119 L122 R123 M176 G177 Q182 N183 T236 L262 F265V119-L179 HydrophobicContact CG1-CD1 4.33Å; V119-L179 HydrophobicContact CG1-CD2 3.63Å; L122-L179 HydrophobicContact CB-CB 3.9Å; L122-L179 HydrophobicContact CB-CD1 4.23Å; L122-L179 HydrophobicContact CD1-CD1 4.31Å; L122-L179 PolarHBondContact O-N 3.48Å; R123-L179 HydrophobicContact CB-CB 4.42Å; R123-L179 HydrophobicContact CB-CD2 4.05Å; R123-L179 HydrophobicContact CG-CD2 4.38Å; M176-L179 VanDerWaalsContact O-CB 3.3Å; M176-L179 WeakPolarHBondContact O-CB 3Å; M176-L179 PolarHBondContact O-N 3.01Å; G177-L179 PolarHBondContact O-N 3.25Å; L179-Q182 PolarHBondContact O-N 3.12Å; L179-N183 WeakPolarHBondContact O-CB 3.45Å; L179-N183 PolarHBondContact O-N 2.98Å; L179-T236 HydrophobicContact CD2-CG2 3.76Å; L179-T236 HydrophobicContact CG-CG2 3.8Å; L179-L262 HydrophobicContact CD1-CD1 4.3Å; L179-F265 HydrophobicContact CD1-CD1 4.16Å; L179-F265 HydrophobicContact CD1-CE1 3.87Å; L179-F265 HydrophobicContact CD2-CE1 3.94Å; L179-F265 HydrophobicContact CD2-CZ 4.29Å; L179-F265 HydrophobicContact CG-CE1 4.2Å
180G98.5Very high96.5Very high0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-61.8-43.317700000112.6M176 G177 L178 L184M176-G180 PolarHBondContact O-N 3.34Å; G177-G180 PolarHBondContact O-N 3.14Å; L178-G180 VanDerWaalsContact C-N 3.26Å; L178-G180 PolarHBondContact O-N 3.06Å; G180-L184 WeakPolarHBondContact O-CG 3.48Å; G180-L184 PolarHBondContact O-N 3.32Å
181L98.6Very high96.4Very high0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-67-47.4176.4175.256.8000111.6Y127 M137 L138 L141 F173 L178 N183 L184 L185Y127-L181 HydrophobicContact CD2-CD2 3.78Å; Y127-L181 HydrophobicContact CE2-CD2 3.65Å; M137-L181 HydrophobicContact CB-CD2 3.88Å; M137-L181 HydrophobicContact CB-CG 4.23Å; L138-L181 HydrophobicContact CB-CD1 4.35Å; L138-L181 HydrophobicContact CB-CD2 4.23Å; L138-L181 HydrophobicContact CD1-CD1 3.96Å; L141-L181 HydrophobicContact CB-CD1 4.46Å; L141-L181 HydrophobicContact CD2-CD1 3.87Å; F173-L181 HydrophobicContact CD1-CB 4.32Å; F173-L181 HydrophobicContact CE1-CB 3.84Å; F173-L181 HydrophobicContact CE2-CB 4.44Å; F173-L181 HydrophobicContact CZ-CB 3.9Å; F173-L181 HydrophobicContact CZ-CD1 3.95Å; F173-L181 HydrophobicContact CZ-CG 4.4Å; L178-L181 HydrophobicContact CD1-CD2 4.23Å; L178-L181 PolarHBondContact O-N 3.47Å; L178-L181 VanDerWaalsContact O-N 3.15Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-N183 PolarHBondContact O-N 2.87Å; L181-L184 PolarHBondContact O-N 3Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 PolarHBondContact O-N 3.29Å
182Q98.6Very high96.5Very high35 Ų3530.7 Ų30.716%0.16415%0.145CC..Hα-helixtrans-62-39.6-179.5-74.9-173.42.300112.3M137 L178 L179 Y186M137-Q182 HydrophobicContact SD-CG 3.92Å; L178-Q182 HydrophobicContact CG-CG 4.33Å; L178-Q182 PolarHBondContact O-N 3.49Å; L179-Q182 PolarHBondContact O-N 3.12Å; Q182-Y186 VanDerWaalsContact O-CB 3.23Å; Q182-Y186 WeakPolarHBondContact O-CB 3.4Å; Q182-Y186 PolarHBondContact O-N 2.98Å
183N98.7Very high96.3Very high0 Ų035.5 Ų35.50%018%0.175CC..Hα-helixtrans-65.7-46.7176.4-82.8-6000112.2L179 L181 L185 Y186 F187 T236 Q266 F269L179-N183 WeakPolarHBondContact O-CB 3.45Å; L179-N183 PolarHBondContact O-N 2.98Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-N183 PolarHBondContact O-N 2.87Å; N183-L185 VanDerWaalsContact C-N 3.33Å; N183-L185 PolarHBondContact O-N 3.4Å; N183-Y186 PolarHBondContact O-N 3.12Å; N183-F187 PolarHBondContact O-N 3.49Å; N183-T236 WeakPolarHBondContact ND2-CG2 3.34Å; N183-T236 PolarHBondContact ND2-OG1 2.99Å; N183-Q266 WeakPolarHBondContact OD1-CG 3.37Å; N183-F269 VanDerWaalsContact C-CE1 3.43Å; N183-F269 HydrophobicContact CB-CD1 3.66Å; N183-F269 HydrophobicContact CB-CD2 4.1Å; N183-F269 HydrophobicContact CB-CE1 3.81Å; N183-F269 HydrophobicContact CB-CE2 4.27Å; N183-F269 HydrophobicContact CB-CG 3.8Å; N183-F269 HydrophobicContact CB-CZ 4.12Å; N183-F269 WeakPolarHBondContact O-CD1 3.49Å; N183-F269 WeakPolarHBondContact O-CE1 3.4Å
184L98.6Very high96.2Very high0 Ų036.2 Ų36.20%018%0.181CC..Hα-helixtrans-58.2-46.4176.1-77.7173000111.4L141 F164 F173 G180 L181 F187 A188 F228 A229 I233 F269L141-L184 HydrophobicContact CD1-CB 4.09Å; L141-L184 HydrophobicContact CD2-CB 3.99Å; L141-L184 HydrophobicContact CD2-CD1 4.27Å; F164-L184 HydrophobicContact CE1-CD1 4.35Å; F164-L184 HydrophobicContact CZ-CD1 4.09Å; F173-L184 HydrophobicContact CE1-CD1 4.24Å; G180-L184 WeakPolarHBondContact O-CG 3.48Å; G180-L184 PolarHBondContact O-N 3.32Å; L181-L184 PolarHBondContact O-N 3Å; L184-F187 PolarHBondContact O-N 3.32Å; L184-A188 PolarHBondContact O-N 3.06Å; L184-F228 HydrophobicContact CD2-CE1 4.1Å; L184-A229 HydrophobicContact CD1-CB 4.14Å; L184-I233 HydrophobicContact CD1-CG1 4.1Å; L184-F269 HydrophobicContact CD2-CZ 4.4Å
185L98.6Very high96.5Very high13 Ų1326.9 Ų26.97%0.06815%0.146CC..Hα-helixtrans-63.2-46.8177.7179.160000111.3M137 K140 L141 E144 L181 N183 F187 A188 E189M137-L185 HydrophobicContact CB-CD2 3.97Å; M137-L185 HydrophobicContact CG-CD2 3.93Å; K140-L185 HydrophobicContact CB-CD1 4.06Å; K140-L185 HydrophobicContact CD-CD1 4.19Å; K140-L185 HydrophobicContact CD-CD2 4.42Å; K140-L185 HydrophobicContact CG-CD1 3.99Å; L141-L185 HydrophobicContact CB-CD1 4.2Å; E144-L185 HydrophobicContact CG-CD1 4.47Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 PolarHBondContact O-N 3.29Å; N183-L185 VanDerWaalsContact C-N 3.33Å; N183-L185 PolarHBondContact O-N 3.4Å; L185-F187 VanDerWaalsContact C-N 3.28Å; L185-F187 PolarHBondContact O-N 2.89Å; L185-A188 PolarHBondContact O-N 3.41Å; L185-A188 VanDerWaalsContact O-N 3.13Å; L185-E189 HydrophobicContact CD1-CG 3.96Å; L185-E189 HydrophobicContact CG-CG 4.36Å; L185-E189 WeakPolarHBondContact O-CG 3.41Å; L185-E189 PolarHBondContact O-N 3.07Å
186Y98.4Very high96.7Very high21 Ų2126.9 Ų26.98%0.08214%0.136CC..Hα-helixtrans-56-44.8177.8-175.1-85.8000111.6Q182 N183 E189 H190 Q263 Q266 Q267Q182-Y186 VanDerWaalsContact O-CB 3.23Å; Q182-Y186 WeakPolarHBondContact O-CB 3.4Å; Q182-Y186 PolarHBondContact O-N 2.98Å; N183-Y186 PolarHBondContact O-N 3.12Å; Y186-E189 PolarHBondContact O-N 2.94Å; Y186-H190 HydrophobicContact CD1-CB 4.28Å; Y186-H190 AromaticContact CD1-ND1 3.99Å; Y186-H190 AromaticContact CD2-CE1 3.43Å; Y186-H190 VanDerWaalsContact CD2-CE1 3.43Å; Y186-H190 WeakPolarHBondContact CD2-CE1 3.47Å; Y186-H190 AromaticContact CD2-ND1 3.45Å; Y186-H190 WeakPolarHBondContact CD2-ND1 3.4Å; Y186-H190 HydrophobicContact CE1-CB 3.95Å; Y186-H190 AromaticContact CE1-CG 3.86Å; Y186-H190 AromaticContact CE2-CD2 3.77Å; Y186-H190 AromaticContact CE2-CE1 3.35Å; Y186-H190 WeakPolarHBondContact CE2-CE1 3.49Å; Y186-H190 AromaticContact CE2-CG 3.78Å; Y186-H190 AromaticContact CE2-ND1 3.51Å; Y186-H190 AromaticContact CE2-NE2 3.49Å; Y186-H190 WeakPolarHBondContact CE2-NE2 3.45Å; Y186-H190 AromaticContact CG-ND1 3.69Å; Y186-H190 AromaticContact CZ-CD2 3.7Å; Y186-H190 AromaticContact CZ-CG 3.63Å; Y186-H190 AromaticContact CZ-ND1 3.82Å; Y186-H190 AromaticContact CZ-NE2 3.93Å; Y186-H190 WeakPolarHBondContact O-CB 3.49Å; Y186-H190 PolarHBondContact O-N 2.85Å; Y186-H190 PolarHBondContact O-ND1 3.14Å; Y186-Q263 HydrophobicContact CE2-CG 4.32Å; Y186-Q266 HydrophobicContact CD1-CB 3.54Å; Y186-Q266 HydrophobicContact CD1-CG 4.43Å; Y186-Q266 HydrophobicContact CD2-CB 3.87Å; Y186-Q266 VanDerWaalsContact CD2-CD 3.46Å; Y186-Q266 HydrophobicContact CD2-CG 4.17Å; Y186-Q266 HydrophobicContact CE1-CB 3.75Å; Y186-Q266 HydrophobicContact CE2-CB 4.08Å; Y186-Q266 HydrophobicContact CG-CB 3.6Å; Y186-Q266 HydrophobicContact CG-CG 4.03Å; Y186-Q267 HydrophobicContact CE1-CG 4.42Å
187F97.8Very high96.4Very high0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-64.6-42.4177.7-177.9-134.7000112.3N183 L184 L185 E189 D191 A194 A195 M198 F228 F269 C270 M273 Q274N183-F187 PolarHBondContact O-N 3.49Å; L184-F187 PolarHBondContact O-N 3.32Å; L185-F187 VanDerWaalsContact C-N 3.28Å; L185-F187 PolarHBondContact O-N 2.89Å; F187-E189 VanDerWaalsContact C-N 3.27Å; F187-E189 PolarHBondContact O-N 3.38Å; F187-D191 HydrophobicContact CD2-CB 3.85Å; F187-D191 HydrophobicContact CE2-CB 3.8Å; F187-D191 CarbonylContact O-C 3.47Å; F187-D191 PolarHBondContact O-N 2.77Å; F187-A194 HydrophobicContact CE2-CB 4.1Å; F187-A194 HydrophobicContact CZ-CB 4.08Å; F187-A195 HydrophobicContact CD1-CB 3.88Å; F187-A195 HydrophobicContact CE1-CB 3.78Å; F187-A195 HydrophobicContact CE2-CB 4.49Å; F187-A195 HydrophobicContact CG-CB 4.29Å; F187-A195 HydrophobicContact CZ-CB 4.09Å; F187-M198 HydrophobicContact CE1-CE 4.32Å; F187-M198 HydrophobicContact CE1-SD 3.85Å; F187-M198 HydrophobicContact CZ-SD 3.59Å; F187-M198 VanDerWaalsContact CZ-SD 3.59Å; F187-F228 HydrophobicContact CD1-CE2 4.43Å; F187-F228 HydrophobicContact CD1-CZ 4.01Å; F187-F228 HydrophobicContact CE1-CE2 4.04Å; F187-F228 HydrophobicContact CE1-CZ 4.07Å; F187-F269 HydrophobicContact CB-CD1 4.2Å; F187-F269 HydrophobicContact CB-CE1 3.69Å; F187-F269 HydrophobicContact CG-CE1 4.3Å; F187-C270 HydrophobicContact CD2-CB 3.89Å; F187-C270 VanDerWaalsContact CD2-SG 3.6Å; F187-C270 HydrophobicContact CE2-CB 4.37Å; F187-M273 HydrophobicContact CD1-CE 4.25Å; F187-M273 HydrophobicContact CD1-CG 4.44Å; F187-M273 HydrophobicContact CE1-CB 4.11Å; F187-M273 HydrophobicContact CE1-CE 4.07Å; F187-M273 HydrophobicContact CE1-CG 4.45Å; F187-M273 HydrophobicContact CZ-CB 4.22Å; F187-Q274 HydrophobicContact CE2-CG 4.28Å; F187-Q274 HydrophobicContact CZ-CG 4.27Å
188A97.7Very high96.2Very high0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-63.9-31.8176.900000113L141 E144 L145 L184 L185 R192L141-A188 HydrophobicContact CD1-CB 3.99Å; E144-A188 HydrophobicContact CB-CB 3.77Å; E144-A188 HydrophobicContact CG-CB 4.47Å; L145-A188 HydrophobicContact CD2-CB 3.93Å; L145-A188 HydrophobicContact CG-CB 4.17Å; L184-A188 PolarHBondContact O-N 3.06Å; L185-A188 PolarHBondContact O-N 3.41Å; L185-A188 VanDerWaalsContact O-N 3.13Å; A188-R192 WeakPolarHBondContact O-CA 3.44Å; A188-R192 VanDerWaalsContact O-CB 3.25Å; A188-R192 WeakPolarHBondContact O-CB 3.41Å
189E96.3Very high96Very high64 Ų6430.8 Ų30.830%0.29915%0.153SC..Hα-helixtrans-85.1-43.6-179.8-70.3179.215000113.6K140 E144 L185 Y186 F187K140-E189 VanDerWaalsContact CD-OE1 3.23Å; K140-E189 WeakPolarHBondContact CD-OE1 3.46Å; K140-E189 WeakPolarHBondContact CE-OE1 3.33Å; K140-E189 IonicContact NZ-OE1 2.63Å; K140-E189 PolarHBondContact NZ-OE1 3.03Å; E144-E189 HydrophobicContact CG-CG 4.08Å; L185-E189 HydrophobicContact CD1-CG 3.96Å; L185-E189 HydrophobicContact CG-CG 4.36Å; L185-E189 WeakPolarHBondContact O-CG 3.41Å; L185-E189 PolarHBondContact O-N 3.07Å; Y186-E189 PolarHBondContact O-N 2.94Å; F187-E189 VanDerWaalsContact C-N 3.27Å; F187-E189 PolarHBondContact O-N 3.38Å
190H93.9Very high95.6Very high111 Ų11135.7 Ų35.751%0.51418%0.176SC..Hα-helixtrans-95-22.3-169.1-65.673.8000113.1Y186Y186-H190 HydrophobicContact CD1-CB 4.28Å; Y186-H190 AromaticContact CD1-ND1 3.99Å; Y186-H190 AromaticContact CD2-CE1 3.43Å; Y186-H190 VanDerWaalsContact CD2-CE1 3.43Å; Y186-H190 WeakPolarHBondContact CD2-CE1 3.47Å; Y186-H190 AromaticContact CD2-ND1 3.45Å; Y186-H190 WeakPolarHBondContact CD2-ND1 3.4Å; Y186-H190 HydrophobicContact CE1-CB 3.95Å; Y186-H190 AromaticContact CE1-CG 3.86Å; Y186-H190 AromaticContact CE2-CD2 3.77Å; Y186-H190 AromaticContact CE2-CE1 3.35Å; Y186-H190 WeakPolarHBondContact CE2-CE1 3.49Å; Y186-H190 AromaticContact CE2-CG 3.78Å; Y186-H190 AromaticContact CE2-ND1 3.51Å; Y186-H190 AromaticContact CE2-NE2 3.49Å; Y186-H190 WeakPolarHBondContact CE2-NE2 3.45Å; Y186-H190 AromaticContact CG-ND1 3.69Å; Y186-H190 AromaticContact CZ-CD2 3.7Å; Y186-H190 AromaticContact CZ-CG 3.63Å; Y186-H190 AromaticContact CZ-ND1 3.82Å; Y186-H190 AromaticContact CZ-NE2 3.93Å; Y186-H190 WeakPolarHBondContact O-CB 3.49Å; Y186-H190 PolarHBondContact O-N 2.85Å; Y186-H190 PolarHBondContact O-ND1 3.14Å
191D92Very high95.1Very high40 Ų4037.2 Ų37.221%0.21419%0.185CC..SBendtrans-135.151.9175.5-159.9-12.3000110.2F187 T193 A194 A195 Q274F187-D191 HydrophobicContact CD2-CB 3.85Å; F187-D191 HydrophobicContact CE2-CB 3.8Å; F187-D191 CarbonylContact O-C 3.47Å; F187-D191 PolarHBondContact O-N 2.77Å; D191-T193 VanDerWaalsContact C-N 3.26Å; D191-T193 PolarHBondContact O-N 3Å; D191-A194 HydrophobicContact CB-CB 4.4Å; D191-A194 VanDerWaalsContact CG-CB 3.45Å; D191-A194 PolarHBondContact O-N 3.13Å; D191-A194 VanDerWaalsContact O-N 3.09Å; D191-A194 WeakPolarHBondContact OD1-CB 3.45Å; D191-A194 PolarHBondContact OD1-N 2.89Å; D191-A195 WeakPolarHBondContact O-CB 3.17Å; D191-A195 PolarHBondContact O-N 3.06Å; D191-Q274 PolarHBondContact OD2-NE2 2.82Å
192R92.7Very high94.5Very high84 Ų8437.7 Ų37.732%0.31719%0.188SC..Hα-helixtrans-53.7-42.3-172.6-173.5174.3177.2127.25.3112.7E144 A188 A195 L196E144-R192 VanDerWaalsContact CD-NH1 3.28Å; E144-R192 VanDerWaalsContact O-CZ 3.24Å; E144-R192 PolarHBondContact O-NH2 3.22Å; E144-R192 IonicContact OE1-NH1 3.59Å; E144-R192 IonicContact OE2-CZ 3.65Å; E144-R192 IonicContact OE2-NH1 2.6Å; E144-R192 PolarHBondContact OE2-NH1 3.13Å; A188-R192 WeakPolarHBondContact O-CA 3.44Å; A188-R192 VanDerWaalsContact O-CB 3.25Å; A188-R192 WeakPolarHBondContact O-CB 3.41Å; R192-A195 PolarHBondContact O-N 3.39Å; R192-L196 HydrophobicContact CG-CD1 3.9Å; R192-L196 HydrophobicContact CG-CG 4.24Å; R192-L196 WeakPolarHBondContact O-CB 3.49Å; R192-L196 VanDerWaalsContact O-CG 3.29Å; R192-L196 WeakPolarHBondContact O-CG 3.24Å; R192-L196 PolarHBondContact O-N 3.06Å
193T92.9Very high93.8Very high117 Ų11740.5 Ų40.572%0.71820%0.203SC*.Hα-helixtrans-62.1-48179.2-55.30000110.9D191 Q197D191-T193 VanDerWaalsContact C-N 3.26Å; D191-T193 PolarHBondContact O-N 3Å; T193-Q197 WeakPolarHBondContact O-CB 3.46Å; T193-Q197 PolarHBondContact O-N 3.04Å
194A93.4Very high92.5Very high18 Ų1844.4 Ų44.415%0.14922%0.222CC..Hα-helixtrans-65.7-40.917700000111.7F187 D191 Q197 M198 Q274F187-A194 HydrophobicContact CE2-CB 4.1Å; F187-A194 HydrophobicContact CZ-CB 4.08Å; D191-A194 HydrophobicContact CB-CB 4.4Å; D191-A194 VanDerWaalsContact CG-CB 3.45Å; D191-A194 PolarHBondContact O-N 3.13Å; D191-A194 VanDerWaalsContact O-N 3.09Å; D191-A194 WeakPolarHBondContact OD1-CB 3.45Å; D191-A194 PolarHBondContact OD1-N 2.89Å; A194-Q197 PolarHBondContact O-N 3.04Å; A194-M198 VanDerWaalsContact O-CB 3.28Å; A194-M198 WeakPolarHBondContact O-CB 3.33Å; A194-M198 VanDerWaalsContact O-CG 3.23Å; A194-M198 WeakPolarHBondContact O-CG 3.18Å; A194-M198 PolarHBondContact O-N 2.77Å; A194-Q274 HydrophobicContact CB-CG 4.24Å
195A95.6Very high90.7Very high0 Ų048.9 Ų48.90%025%0.251CS..Hα-helixtrans-61.7-46.1178.400000112.2L145 F187 D191 R192 L199 F228L145-A195 HydrophobicContact CD2-CB 4.22Å; F187-A195 HydrophobicContact CD1-CB 3.88Å; F187-A195 HydrophobicContact CE1-CB 3.78Å; F187-A195 HydrophobicContact CE2-CB 4.49Å; F187-A195 HydrophobicContact CG-CB 4.29Å; F187-A195 HydrophobicContact CZ-CB 4.09Å; D191-A195 WeakPolarHBondContact O-CB 3.17Å; D191-A195 PolarHBondContact O-N 3.06Å; R192-A195 PolarHBondContact O-N 3.39Å; A195-L199 VanDerWaalsContact O-CB 3.29Å; A195-L199 WeakPolarHBondContact O-CB 3.18Å; A195-L199 PolarHBondContact O-N 3Å; A195-F228 HydrophobicContact CB-CZ 4.37Å
196L94.9Very high88.8Confident43 Ų4350 Ų5023%0.22526%0.255CS..Hα-helixtrans-67.2-42177.4-70.2176.9000112L145 R192 L199 Q200L145-L196 HydrophobicContact CD2-CD2 4.35Å; R192-L196 HydrophobicContact CG-CD1 3.9Å; R192-L196 HydrophobicContact CG-CG 4.24Å; R192-L196 WeakPolarHBondContact O-CB 3.49Å; R192-L196 VanDerWaalsContact O-CG 3.29Å; R192-L196 WeakPolarHBondContact O-CG 3.24Å; R192-L196 PolarHBondContact O-N 3.06Å; L196-L199 PolarHBondContact O-N 3.19Å; L196-Q200 VanDerWaalsContact O-CG 3.32Å; L196-Q200 WeakPolarHBondContact O-CG 3.13Å; L196-Q200 PolarHBondContact O-N 3.46Å
197Q92.8Very high86.5Confident93 Ų9356.6 Ų56.644%0.43529%0.286SS..Hα-helixtrans-61.6-49.2175.8-174.763.357.900111T193 A194 L199 Q200 D201T193-Q197 WeakPolarHBondContact O-CB 3.46Å; T193-Q197 PolarHBondContact O-N 3.04Å; A194-Q197 PolarHBondContact O-N 3.04Å; Q197-L199 VanDerWaalsContact C-N 3.28Å; Q197-L199 PolarHBondContact O-N 2.96Å; Q197-Q200 PolarHBondContact O-N 2.96Å; Q197-Q200 VanDerWaalsContact O-N 3.14Å; Q197-D201 PolarHBondContact NE2-OD1 3.48Å; Q197-D201 PolarHBondContact O-N 3.08Å
198M93.1Very high84.1Confident7 Ų762.8 Ų62.83%0.03432%0.32CS..Hα-helixtrans-59.8-39.9177.1-76.4-17854.800112.2F187 A194 S202 F228 M273 Q274 Q277F187-M198 HydrophobicContact CE1-CE 4.32Å; F187-M198 HydrophobicContact CE1-SD 3.85Å; F187-M198 HydrophobicContact CZ-SD 3.59Å; F187-M198 VanDerWaalsContact CZ-SD 3.59Å; A194-M198 VanDerWaalsContact O-CB 3.28Å; A194-M198 WeakPolarHBondContact O-CB 3.33Å; A194-M198 VanDerWaalsContact O-CG 3.23Å; A194-M198 WeakPolarHBondContact O-CG 3.18Å; A194-M198 PolarHBondContact O-N 2.77Å; M198-S202 VanDerWaalsContact O-CB 3.31Å; M198-S202 WeakPolarHBondContact O-CB 3.19Å; M198-S202 PolarHBondContact O-N 3.14Å; M198-F228 HydrophobicContact CB-CD2 4.25Å; M198-F228 HydrophobicContact CB-CE2 4.04Å; M198-M273 HydrophobicContact CE-CB 4.08Å; M198-M273 HydrophobicContact CE-CE 3.66Å; M198-M273 WeakPolarHBondContact CE-O 3.05Å; M198-M273 HydrophobicContact CE-SD 4.48Å; M198-M273 HydrophobicContact SD-CB 4.43Å; M198-Q274 HydrophobicContact SD-CG 4.24Å; M198-Q277 HydrophobicContact CE-CB 3.89Å; M198-Q277 HydrophobicContact CG-CB 4.22Å; M198-Q277 HydrophobicContact CG-CG 4.04Å; M198-Q277 HydrophobicContact SD-CB 4.12Å
199L94Very high81.7Confident0 Ų067.2 Ų67.20%034%0.34CS..Hα-helixtrans-64.2-43.9175.5175.456.3000111.4L145 I162 A195 L196 Q197 S202 L203 F228L145-L199 HydrophobicContact CB-CD2 3.88Å; L145-L199 HydrophobicContact CD1-CD2 4.47Å; L145-L199 HydrophobicContact CD2-CD2 4.18Å; L145-L199 HydrophobicContact CG-CD2 4.4Å; I162-L199 HydrophobicContact CB-CD1 4.45Å; I162-L199 HydrophobicContact CB-CD2 4.43Å; I162-L199 HydrophobicContact CG2-CD2 4.01Å; A195-L199 VanDerWaalsContact O-CB 3.29Å; A195-L199 WeakPolarHBondContact O-CB 3.18Å; A195-L199 PolarHBondContact O-N 3Å; L196-L199 PolarHBondContact O-N 3.19Å; Q197-L199 VanDerWaalsContact C-N 3.28Å; Q197-L199 PolarHBondContact O-N 2.96Å; L199-S202 PolarHBondContact O-N 3.32Å; L199-S202 PolarHBondContact O-OG 3.48Å; L199-L203 HydrophobicContact CD1-CD1 4.39Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 3.49Å; L199-F228 HydrophobicContact CB-CD2 4.07Å; L199-F228 HydrophobicContact CB-CE2 4.4Å; L199-F228 HydrophobicContact CB-CG 4.32Å; L199-F228 HydrophobicContact CD1-CB 3.8Å; L199-F228 HydrophobicContact CD1-CG 4.1Å
200Q90.8Very high79.4Confident104 Ų10471.7 Ų71.749%0.48637%0.365SS..Hα-helixtrans-61.8-48.2175.3-72.7175.26.500111.7L196 Q197 S202 L203 Q204L196-Q200 VanDerWaalsContact O-CG 3.32Å; L196-Q200 WeakPolarHBondContact O-CG 3.13Å; L196-Q200 PolarHBondContact O-N 3.46Å; Q197-Q200 PolarHBondContact O-N 2.96Å; Q197-Q200 VanDerWaalsContact O-N 3.14Å; Q200-S202 PolarHBondContact O-N 3.06Å; Q200-L203 PolarHBondContact O-N 2.95Å; Q200-L203 VanDerWaalsContact O-N 3.07Å; Q200-Q204 PolarHBondContact O-N 3.06Å
201D87.9Confident77.2Confident32 Ų3274 Ų7417%0.17138%0.382CS..Hα-helixtrans-58.2-39.5177.8-65.3-8.7000111.5Q197 L203 Q204 Q277Q197-D201 PolarHBondContact NE2-OD1 3.48Å; Q197-D201 PolarHBondContact O-N 3.08Å; D201-L203 PolarHBondContact O-N 2.93Å; D201-Q204 PolarHBondContact O-N 3.27Å; D201-Q277 PolarHBondContact OD2-NE2 3.35Å; D201-Q277 VanDerWaalsContact OD2-NE2 3.16Å
202S86.5Confident75.2Confident10 Ų1077 Ų777%0.0739%0.394CS..Hα-helixtrans-62.8-22.618079.10000113.6M198 L199 Q200 Y226M198-S202 VanDerWaalsContact O-CB 3.31Å; M198-S202 WeakPolarHBondContact O-CB 3.19Å; M198-S202 PolarHBondContact O-N 3.14Å; L199-S202 PolarHBondContact O-N 3.32Å; L199-S202 PolarHBondContact O-OG 3.48Å; Q200-S202 PolarHBondContact O-N 3.06Å; S202-Y226 WeakPolarHBondContact CB-O 3.34Å
203L82.8Confident73.2Confident93 Ų9376.2 Ų76.249%0.48740%0.4SS..Hα-helixtrans-94.6-15.3-178.9-62.6169.6000113.4L199 Q200 D201L199-L203 HydrophobicContact CD1-CD1 4.39Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 3.49Å; Q200-L203 PolarHBondContact O-N 2.95Å; Q200-L203 VanDerWaalsContact O-N 3.07Å; D201-L203 PolarHBondContact O-N 2.93Å
204Q70.8Confident71.4Confident82 Ų8277.1 Ų77.138%0.38340%0.401SS..SBendtrans-77.7142.3-175-74.2-178.69.600112.3Q200 D201 A223 I224Q200-Q204 PolarHBondContact O-N 3.06Å; D201-Q204 PolarHBondContact O-N 3.27Å; Q204-A223 CarbonylContact O-C 3.57Å; Q204-A223 WeakPolarHBondContact O-CA 3.48Å; Q204-I224 HydrophobicContact CB-CD1 3.89Å; Q204-I224 HydrophobicContact CB-CG1 4.48Å; Q204-I224 WeakPolarHBondContact O-CB 3.23Å; Q204-I224 WeakPolarHBondContact O-CG1 3.34Å; Q204-I224 PolarHBondContact O-N 3.47Å
205P62.2Low69.7Low94 Ų9485.3 Ų85.361%0.6143%0.428SS*.BIsolated β-bridgetrans-62.2149165.8-20.433.2000112.8K222P205-K222 CarbonylContact C-O 3.53Å
206K58.6Low67.5Low37 Ų3789.6 Ų89.616%0.16145%0.448CS..PPolyproline II helixtrans-64.8135.6172.9-80-163.8175.3-161.30110.6N208 K222 I224 D284 P285K206-N208 PolarHBondContact O-N 3.23Å; K206-K222 WeakPolarHBondContact CB-O 3.37Å; K206-K222 PolarHBondContact N-O 3.32Å; K206-I224 HydrophobicContact CG-CG1 4.01Å; K206-D284 IonicContact NZ-OD1 2.67Å; K206-D284 PolarHBondContact NZ-OD1 2.72Å; K206-P285 PolarHBondContact NZ-O 2.76Å
207H49.4Very low65.4Low159 Ų15993.6 Ų93.674%0.73647%0.465SS*.G310 helixtrans-65.2-0-170.9-115.7-79.4000117.2E209H207-E209 PolarHBondContact O-N 2.89Å
208N47.5Very low63.1Low131 Ų13198 Ų9870%0.70148%0.483SS*.G310 helixtrans-85.82.1-172-79.8-11.5000115.3K206K206-N208 PolarHBondContact O-N 3.23Å
209E46.7Very low60.7Low92 Ų92102.1 Ų102.143%0.4351%0.508SS..G310 helixtrans-101.41.9-173.4-67.8-174.1-174.200115.2H207 N211H207-E209 PolarHBondContact O-N 2.89Å; E209-N211 PolarHBondContact O-N 2.85Å
210L48.9Very low58.2Low159 Ų159108.2 Ų108.283%0.83255%0.548SS*.THydrogen-bonded Turntrans-74.5-5.6-177.4-147.275.4000114.3
211N47.8Very low56Low160 Ų160109.4 Ų109.486%0.85656%0.558SS**THydrogen-bonded Turntrans-126.815.1-176.5-72.7-27000114.5E209E209-N211 PolarHBondContact O-N 2.85Å
212Q49.5Very low54.2Low101 Ų101113.1 Ų113.147%0.47257%0.572SS.*SBendtrans-98.7137.9176.4-77.5-173.3400112.2
213P51.9Low52.6Low69 Ų69114.6 Ų114.645%0.44859%0.585SS.*  trans-67.1145178.526.4-32000112.3W215 E216P213-W215 PolarHBondContact O-N 2.69Å; P213-E216 PolarHBondContact O-N 2.92Å; P213-E216 VanDerWaalsContact O-N 3.09Å
214D54.9Low51.3Low136 Ų136111.9 Ų111.973%0.72757%0.571SS**THydrogen-bonded Turntrans-49.7-13.6-168.3-64.8-32000117.6
215W56.3Low51.1Low190 Ų190108.6 Ų108.672%0.7256%0.559SS**THydrogen-bonded Turntrans-93.3-13.9-178.563.7-92.6000114.3P213P213-W215 PolarHBondContact O-N 2.69Å
216E50.3Low51.9Low89 Ų89104.7 Ų104.742%0.41653%0.532SS..SBendtrans-88.6-4.1171.4-70.4178.8153.900112.7P213 K218P213-E216 PolarHBondContact O-N 2.92Å; P213-E216 VanDerWaalsContact O-N 3.09Å; E216-K218 PolarHBondContact O-N 3.32Å
217Q49.8Very low53.4Low128 Ų128105.5 Ų105.560%0.59854%0.543SS*.  trans-69.134.9176.9-115.1175.640.600114
218K44.5Very low55.6Low186 Ų18698 Ų9881%0.80951%0.508SS*.  trans-11177.5170.8-76.3-174.4176.3175.70109.5E216E216-K218 PolarHBondContact O-N 3.32Å
219V43.8Very low58Low93 Ų9391.8 Ų91.856%0.56448%0.475SS*.  -177.5110.9126.4173.60000107D221V219-D221 HydrophobicContact CG1-CB 3.69Å; V219-D221 VanDerWaalsContact CG1-OD2 3.28Å; V219-D221 WeakPolarHBondContact CG1-OD2 3.29Å; V219-D221 PolarHBondContact O-N 3.4Å
220P41.6Very low60.3Low128 Ų12889.3 Ų89.383%0.83146%0.464SS*.THydrogen-bonded Turntrans-82.747.4-178.435.6-35.2000113.2
221D43.3Very low62.6Low129 Ų12981.9 Ų81.969%0.6943%0.425SS*.THydrogen-bonded Turntrans-118.2-1.6-171.5-68.2-29.3000115.5V219 A223V219-D221 HydrophobicContact CG1-CB 3.69Å; V219-D221 VanDerWaalsContact CG1-OD2 3.28Å; V219-D221 WeakPolarHBondContact CG1-OD2 3.29Å; V219-D221 PolarHBondContact O-N 3.4Å; D221-A223 PolarHBondContact O-N 2.84Å; D221-A223 VanDerWaalsContact O-N 3.14Å
222K51.1Low65Low109 Ų10974.2 Ų74.247%0.47438%0.384SS..  trans-92.966.5-177.8-80.5-178.7177176.70112.4P205 K206 S286P205-K222 CarbonylContact C-O 3.53Å; K206-K222 WeakPolarHBondContact CB-O 3.37Å; K206-K222 PolarHBondContact N-O 3.32Å; K222-S286 WeakPolarHBondContact CE-O 3.21Å
223A51.8Low67.3Low42 Ų4270.1 Ų70.135%0.34737%0.366SS..BIsolated β-bridgetrans-61.1153.3156.700000111Q204 D221 G225Q204-A223 CarbonylContact O-C 3.57Å; Q204-A223 WeakPolarHBondContact O-CA 3.48Å; D221-A223 PolarHBondContact O-N 2.84Å; D221-A223 VanDerWaalsContact O-N 3.14Å; A223-G225 VanDerWaalsContact C-CA 3.42Å; A223-G225 WeakPolarHBondContact O-CA 3.31Å; A223-G225 PolarHBondContact O-N 2.88Å; A223-G225 VanDerWaalsContact O-N 3.1Å
224I55.7Low69.5Low35 Ų3568.5 Ų68.518%0.17935%0.353CS..SBendtrans-57.9-15.6167-63.5176.5000110.6Q204 K206 W280Q204-I224 HydrophobicContact CB-CD1 3.89Å; Q204-I224 HydrophobicContact CB-CG1 4.48Å; Q204-I224 WeakPolarHBondContact O-CB 3.23Å; Q204-I224 WeakPolarHBondContact O-CG1 3.34Å; Q204-I224 PolarHBondContact O-N 3.47Å; K206-I224 HydrophobicContact CG-CG1 4.01Å; I224-W280 PolarHBondContact O-NE1 2.87Å
225G66.6Low71.6Confident13 Ų1362 Ų6213%0.13432%0.318CS..  96.756.3120.800000116.4A223 W280 I288A223-G225 VanDerWaalsContact C-CA 3.42Å; A223-G225 WeakPolarHBondContact O-CA 3.31Å; A223-G225 PolarHBondContact O-N 2.88Å; A223-G225 VanDerWaalsContact O-N 3.1Å; G225-W280 WeakPolarHBondContact O-CZ2 3.28Å; G225-I288 WeakPolarHBondContact O-CD1 3.13Å
226Y79.4Confident73.6Confident12 Ų1253 Ų535%0.04728%0.284CS..  trans-164.7161.2150.660-103.2000111.6S202 F228 V231 F276 Q277 W280S202-Y226 WeakPolarHBondContact CB-O 3.34Å; Y226-F228 PolarHBondContact O-N 3.17Å; Y226-V231 HydrophobicContact CD1-CG2 4.48Å; Y226-V231 HydrophobicContact CD2-CB 3.51Å; Y226-V231 HydrophobicContact CD2-CG1 3.94Å; Y226-V231 HydrophobicContact CD2-CG2 3.14Å; Y226-V231 HydrophobicContact CE2-CB 3.71Å; Y226-V231 HydrophobicContact CE2-CG1 3.73Å; Y226-V231 HydrophobicContact CE2-CG2 3.85Å; Y226-V231 HydrophobicContact CG-CB 4.31Å; Y226-V231 HydrophobicContact CG-CG2 3.5Å; Y226-F276 HydrophobicContact CE1-CE1 4.42Å; Y226-Q277 VanDerWaalsContact CZ-OE1 3.28Å; Y226-Q277 PolarHBondContact OH-OE1 3.25Å; Y226-W280 AromaticContact CD1-CD1 3.83Å; Y226-W280 AromaticContact CD1-CD2 3.85Å; Y226-W280 HydrophobicContact CD1-CD2 3.85Å; Y226-W280 AromaticContact CD1-CE2 3.75Å; Y226-W280 AromaticContact CD1-CG 3.93Å; Y226-W280 HydrophobicContact CD1-CG 3.93Å; Y226-W280 HydrophobicContact CD1-CZ2 4.36Å; Y226-W280 AromaticContact CD1-NE1 3.7Å; Y226-W280 HydrophobicContact CE1-CB 4.25Å; Y226-W280 AromaticContact CE1-CD1 3.77Å; Y226-W280 HydrophobicContact CE1-CD2 4.19Å; Y226-W280 AromaticContact CE1-CG 3.8Å; Y226-W280 HydrophobicContact CE1-CG 3.8Å
227S91.1Very high75.9Confident55 Ų5551 Ų5139%0.38528%0.276SS..  trans-81.7114.8178.2-44.60000110.7G163 A229 I230 V231G163-S227 VanDerWaalsContact O-CB 3.28Å; G163-S227 WeakPolarHBondContact O-CB 3.29Å; S227-A229 PolarHBondContact O-N 3.47Å; S227-I230 PolarHBondContact O-N 2.9Å; S227-V231 PolarHBondContact O-N 2.96Å
228F95.4Very high78.2Confident1 Ų144.9 Ų44.90%0.00425%0.248CC..Hα-helixtrans-47.5-56-174.8174.8-89.7000113.5L145 L184 F187 A195 M198 L199 Y226 V231 G232 M273L145-F228 HydrophobicContact CD1-CD1 4.28Å; L145-F228 HydrophobicContact CD1-CE1 3.77Å; L145-F228 HydrophobicContact CD2-CE1 4.33Å; L145-F228 HydrophobicContact CD2-CZ 4.37Å; L184-F228 HydrophobicContact CD2-CE1 4.1Å; F187-F228 HydrophobicContact CD1-CE2 4.43Å; F187-F228 HydrophobicContact CD1-CZ 4.01Å; F187-F228 HydrophobicContact CE1-CE2 4.04Å; F187-F228 HydrophobicContact CE1-CZ 4.07Å; A195-F228 HydrophobicContact CB-CZ 4.37Å; M198-F228 HydrophobicContact CB-CD2 4.25Å; M198-F228 HydrophobicContact CB-CE2 4.04Å; L199-F228 HydrophobicContact CB-CD2 4.07Å; L199-F228 HydrophobicContact CB-CE2 4.4Å; L199-F228 HydrophobicContact CB-CG 4.32Å; L199-F228 HydrophobicContact CD1-CB 3.8Å; L199-F228 HydrophobicContact CD1-CG 4.1Å; Y226-F228 PolarHBondContact O-N 3.17Å; F228-V231 PolarHBondContact O-N 2.87Å; F228-G232 PolarHBondContact O-N 3.36Å; F228-M273 HydrophobicContact CD2-CE 4.48Å; F228-M273 HydrophobicContact CE2-CE 4.1Å; F228-M273 HydrophobicContact CZ-CE 4.41Å
229A97.3Very high80.8Confident1 Ų136 Ų361%0.00821%0.209CC..Hα-helixtrans-65.8-42.7-177.800000112.8I162 G163 F164 L184 S227 V231 G232 I233I162-A229 WeakPolarHBondContact O-CB 3.19Å; I162-A229 PolarHBondContact O-N 3.07Å; I162-A229 VanDerWaalsContact O-N 3.17Å; G163-A229 WeakPolarHBondContact O-CB 3.35Å; F164-A229 HydrophobicContact CD1-CB 3.73Å; F164-A229 HydrophobicContact CD2-CB 3.89Å; F164-A229 HydrophobicContact CE1-CB 3.68Å; F164-A229 HydrophobicContact CE2-CB 3.84Å; F164-A229 HydrophobicContact CG-CB 3.83Å; F164-A229 HydrophobicContact CZ-CB 3.73Å; L184-A229 HydrophobicContact CD1-CB 4.14Å; S227-A229 PolarHBondContact O-N 3.47Å; A229-V231 VanDerWaalsContact C-N 3.34Å; A229-V231 PolarHBondContact O-N 2.94Å; A229-G232 PolarHBondContact O-N 3.41Å; A229-I233 WeakPolarHBondContact O-CG1 3.27Å; A229-I233 PolarHBondContact O-N 3.35Å
230I96.1Very high83.4Confident39 Ų3933.5 Ų33.520%0.219%0.19CC..Hα-helixtrans-61.7-42176.3-61.5-51.9000112G163 Q165 D172 S227 I233 N234G163-I230 WeakPolarHBondContact O-CG1 3.44Å; G163-I230 PolarHBondContact O-N 2.98Å; Q165-I230 HydrophobicContact CG-CD1 3.7Å; Q165-I230 HydrophobicContact CG-CG1 3.82Å; D172-I230 HydrophobicContact CB-CD1 3.91Å; D172-I230 VanDerWaalsContact CG-CD1 3.5Å; D172-I230 WeakPolarHBondContact OD1-CD1 3.28Å; S227-I230 PolarHBondContact O-N 2.9Å; I230-I233 PolarHBondContact O-N 3.43Å; I230-N234 WeakPolarHBondContact O-CB 3.03Å; I230-N234 PolarHBondContact O-N 3.39Å
231V96Very high86.1Confident3 Ų329.4 Ų29.42%0.01816%0.164CC..Hα-helixtrans-65.5-42.1175.3170.40000110.8Y226 S227 F228 A229 I233 N234 I235 F276 F291Y226-V231 HydrophobicContact CD1-CG2 4.48Å; Y226-V231 HydrophobicContact CD2-CB 3.51Å; Y226-V231 HydrophobicContact CD2-CG1 3.94Å; Y226-V231 HydrophobicContact CD2-CG2 3.14Å; Y226-V231 HydrophobicContact CE2-CB 3.71Å; Y226-V231 HydrophobicContact CE2-CG1 3.73Å; Y226-V231 HydrophobicContact CE2-CG2 3.85Å; Y226-V231 HydrophobicContact CG-CB 4.31Å; Y226-V231 HydrophobicContact CG-CG2 3.5Å; S227-V231 PolarHBondContact O-N 2.96Å; F228-V231 PolarHBondContact O-N 2.87Å; A229-V231 VanDerWaalsContact C-N 3.34Å; A229-V231 PolarHBondContact O-N 2.94Å; V231-I233 VanDerWaalsContact C-N 3.35Å; V231-I233 PolarHBondContact O-N 3.31Å; V231-N234 CarbonylContact O-C 3.33Å; V231-N234 WeakPolarHBondContact O-CB 3.15Å; V231-N234 PolarHBondContact O-N 3.06Å; V231-I235 HydrophobicContact CG1-CG1 4.01Å; V231-I235 WeakPolarHBondContact O-CB 3.44Å; V231-I235 VanDerWaalsContact O-CG1 3.3Å; V231-I235 WeakPolarHBondContact O-CG1 3.43Å; V231-I235 PolarHBondContact O-N 3.3Å; V231-F276 HydrophobicContact CG1-CD1 3.75Å; V231-F276 HydrophobicContact CG1-CE1 3.64Å; V231-F291 HydrophobicContact CB-CE2 4.35Å; V231-F291 HydrophobicContact CG1-CE2 4.19Å; V231-F291 HydrophobicContact CG2-CD2 4.18Å; V231-F291 HydrophobicContact CG2-CE2 3.43Å; V231-F291 VanDerWaalsContact CG2-CE2 3.43Å; V231-F291 HydrophobicContact CG2-CZ 3.94Å
232G97.9Very high88.7Confident0 Ų023.2 Ų23.20%013%0.131CC..Hα-helixtrans-58.8-41.9173.400000113.6F228 A229 N234 I235 T236 F269 M273F228-G232 PolarHBondContact O-N 3.36Å; A229-G232 PolarHBondContact O-N 3.41Å; G232-N234 VanDerWaalsContact C-N 3.3Å; G232-N234 PolarHBondContact O-N 3.21Å; G232-I235 PolarHBondContact O-N 3.03Å; G232-T236 PolarHBondContact O-N 2.87Å; G232-T236 PolarHBondContact O-OG1 2.94Å; G232-F269 WeakPolarHBondContact O-CE2 3.46Å; G232-M273 VanDerWaalsContact CA-SD 3.59Å
233I98.3Very high91Very high15 Ų1518 Ų188%0.07711%0.109CC..Hα-helixtrans-63.2-39.8173.9-68166000110.7F164 D172 F173 M176 L184 A229 I230 V231 T236 D237F164-I233 HydrophobicContact CE1-CD1 4.2Å; D172-I233 HydrophobicContact CB-CD1 3.83Å; F173-I233 HydrophobicContact CD1-CD1 3.77Å; F173-I233 HydrophobicContact CD1-CG1 4.23Å; F173-I233 HydrophobicContact CE1-CD1 3.81Å; F173-I233 HydrophobicContact CE1-CG1 4.24Å; M176-I233 HydrophobicContact CB-CG2 4.16Å; M176-I233 HydrophobicContact CG-CG2 4.05Å; L184-I233 HydrophobicContact CD1-CG1 4.1Å; A229-I233 WeakPolarHBondContact O-CG1 3.27Å; A229-I233 PolarHBondContact O-N 3.35Å; I230-I233 PolarHBondContact O-N 3.43Å; V231-I233 VanDerWaalsContact C-N 3.35Å; V231-I233 PolarHBondContact O-N 3.31Å; I233-T236 WeakPolarHBondContact O-CB 3.49Å; I233-T236 PolarHBondContact O-N 3.32Å; I233-D237 PolarHBondContact O-N 3.02Å; I233-D237 VanDerWaalsContact O-N 3.12Å
234N97.9Very high93.2Very high35 Ų3520 Ų2019%0.18712%0.116CC..Hα-helixtrans-72.7-31.7179.5-170.9-89.4000113.9I230 V231 G232 D237 L238 F291 R295I230-N234 WeakPolarHBondContact O-CB 3.03Å; I230-N234 PolarHBondContact O-N 3.39Å; V231-N234 CarbonylContact O-C 3.33Å; V231-N234 WeakPolarHBondContact O-CB 3.15Å; V231-N234 PolarHBondContact O-N 3.06Å; G232-N234 VanDerWaalsContact C-N 3.3Å; G232-N234 PolarHBondContact O-N 3.21Å; N234-D237 WeakPolarHBondContact O-CB 3.31Å; N234-D237 PolarHBondContact O-N 2.98Å; N234-L238 PolarHBondContact O-N 3.3Å; N234-F291 HydrophobicContact CB-CE1 4.19Å; N234-F291 HydrophobicContact CB-CZ 4.01Å; N234-F291 VanDerWaalsContact OD1-CE1 3.3Å; N234-F291 WeakPolarHBondContact OD1-CE1 3.4Å; N234-F291 VanDerWaalsContact OD1-CZ 3.3Å; N234-F291 WeakPolarHBondContact OD1-CZ 3.23Å; N234-R295 PolarHBondContact O-NH2 3.46Å; N234-R295 WeakPolarHBondContact OD1-CD 3.01Å; N234-R295 PolarHBondContact OD1-NE 2.82Å
235I98.4Very high95.2Very high0 Ų022 Ų220%013%0.133CC..Hα-helixtrans-73-32.3171.6-65.6-61000110.6V231 G232 D237 L238 A239 F269 L272 M273 F276V231-I235 HydrophobicContact CG1-CG1 4.01Å; V231-I235 WeakPolarHBondContact O-CB 3.44Å; V231-I235 VanDerWaalsContact O-CG1 3.3Å; V231-I235 WeakPolarHBondContact O-CG1 3.43Å; V231-I235 PolarHBondContact O-N 3.3Å; G232-I235 PolarHBondContact O-N 3.03Å; I235-D237 VanDerWaalsContact C-N 3.33Å; I235-D237 PolarHBondContact O-N 2.88Å; I235-L238 HydrophobicContact CD1-CD1 4.32Å; I235-L238 WeakPolarHBondContact O-CB 3.49Å; I235-L238 PolarHBondContact O-N 3.22Å; I235-L238 VanDerWaalsContact O-N 3.14Å; I235-A239 PolarHBondContact O-N 3.45Å; I235-F269 HydrophobicContact CB-CD2 4.49Å; I235-F269 HydrophobicContact CB-CE2 4.11Å; I235-F269 HydrophobicContact CG2-CD2 3.95Å; I235-F269 HydrophobicContact CG2-CE2 3.99Å; I235-L272 HydrophobicContact CG2-CB 3.62Å; I235-M273 HydrophobicContact CB-SD 3.89Å; I235-M273 HydrophobicContact CG1-SD 3.87Å; I235-M273 HydrophobicContact CG2-CG 4.13Å; I235-M273 HydrophobicContact CG2-SD 4.11Å; I235-F276 HydrophobicContact CD1-CB 3.92Å; I235-F276 HydrophobicContact CD1-CD1 4.06Å; I235-F276 HydrophobicContact CD1-CD2 4.03Å; I235-F276 HydrophobicContact CD1-CG 3.71Å; I235-F276 HydrophobicContact CG1-CD1 4.4Å; I235-F276 HydrophobicContact CG1-CG 4.44Å
236T98.7Very high96.7Very high0 Ų022.4 Ų22.40%014%0.138CC..Hα-helixtrans-58.7-45167.9-65.20000111.1M176 L179 N183 G232 I233 L238 A239 Y240 F269M176-T236 HydrophobicContact CB-CG2 4.12Å; M176-T236 HydrophobicContact CG-CG2 4.03Å; M176-T236 HydrophobicContact SD-CG2 3.98Å; L179-T236 HydrophobicContact CD2-CG2 3.76Å; L179-T236 HydrophobicContact CG-CG2 3.8Å; N183-T236 WeakPolarHBondContact ND2-CG2 3.34Å; N183-T236 PolarHBondContact ND2-OG1 2.99Å; G232-T236 PolarHBondContact O-N 2.87Å; G232-T236 PolarHBondContact O-OG1 2.94Å; I233-T236 WeakPolarHBondContact O-CB 3.49Å; I233-T236 PolarHBondContact O-N 3.32Å; T236-L238 VanDerWaalsContact C-N 3.3Å; T236-L238 PolarHBondContact O-N 3.46Å; T236-A239 PolarHBondContact O-N 2.85Å; T236-Y240 WeakPolarHBondContact O-CB 3.35Å; T236-Y240 PolarHBondContact O-N 2.96Å; T236-F269 WeakPolarHBondContact OG1-CE2 3.32Å
237D98.6Very high97.6Very high46 Ų4622.7 Ų22.725%0.24614%0.143CC..Hα-helixtrans-61-37173176.171.2000112.8M176 I233 N234 I235 S241 R295M176-D237 HydrophobicContact CE-CB 3.62Å; M176-D237 WeakPolarHBondContact CE-OD1 3.33Å; M176-D237 HydrophobicContact CG-CB 4.17Å; M176-D237 WeakPolarHBondContact SD-CA 3.29Å; M176-D237 HydrophobicContact SD-CB 3.73Å; I233-D237 PolarHBondContact O-N 3.02Å; I233-D237 VanDerWaalsContact O-N 3.12Å; N234-D237 WeakPolarHBondContact O-CB 3.31Å; N234-D237 PolarHBondContact O-N 2.98Å; I235-D237 VanDerWaalsContact C-N 3.33Å; I235-D237 PolarHBondContact O-N 2.88Å; D237-S241 WeakPolarHBondContact O-CB 3.34Å; D237-S241 PolarHBondContact O-N 3.44Å; D237-S241 PolarHBondContact O-OG 3.36Å; D237-R295 IonicContact OD2-CZ 2.58Å; D237-R295 IonicContact OD2-NH1 2.85Å; D237-R295 IonicContact OD2-NH2 3.19Å; D237-R295 PolarHBondContact OD2-NH2 3.4Å
238L98.6Very high98Very high0 Ų020.1 Ų20.10%012%0.124CC..Hα-helixtrans-65.2-48.9175.6-170.2156.6000110.8N234 I235 T236 Y240 S241 L242 L272 R295 F298 H299N234-L238 PolarHBondContact O-N 3.3Å; I235-L238 HydrophobicContact CD1-CD1 4.32Å; I235-L238 WeakPolarHBondContact O-CB 3.49Å; I235-L238 PolarHBondContact O-N 3.22Å; I235-L238 VanDerWaalsContact O-N 3.14Å; T236-L238 VanDerWaalsContact C-N 3.3Å; T236-L238 PolarHBondContact O-N 3.46Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-Y240 PolarHBondContact O-N 3.08Å; L238-S241 WeakPolarHBondContact O-CB 3.46Å; L238-S241 PolarHBondContact O-N 3.37Å; L238-L242 HydrophobicContact CD2-CD1 3.53Å; L238-L242 HydrophobicContact CD2-CG 4.04Å; L238-L242 WeakPolarHBondContact O-CG 3.15Å; L238-L242 PolarHBondContact O-N 3.23Å; L238-L272 HydrophobicContact CD2-CD1 3.94Å; L238-L272 HydrophobicContact CD2-CD2 4.26Å; L238-R295 HydrophobicContact CD1-CG 4.28Å; L238-F298 HydrophobicContact CD1-CD1 3.83Å; L238-F298 HydrophobicContact CD1-CE1 4.29Å; L238-H299 HydrophobicContact CD1-CB 3.97Å; L238-H299 HydrophobicContact CG-CB 4.43Å
239A98.7Very high98.1Very high0 Ų021.3 Ų21.30%013%0.13CC..Hα-helixtrans-58.6-44.5177.100000111.2I235 T236 S241 L242 L243 F265 L272I235-A239 PolarHBondContact O-N 3.45Å; T236-A239 PolarHBondContact O-N 2.85Å; A239-S241 PolarHBondContact O-N 2.88Å; A239-L242 PolarHBondContact O-N 2.88Å; A239-L243 PolarHBondContact O-N 2.89Å; A239-F265 HydrophobicContact CB-CE1 4.45Å; A239-F265 HydrophobicContact CB-CE2 3.9Å; A239-F265 HydrophobicContact CB-CZ 3.7Å; A239-L272 HydrophobicContact CB-CD1 3.77Å
240Y98.8Very high98.1Very high40 Ų4022 Ų2216%0.15713%0.133CC..Hα-helixtrans-59.2-45.5174.4173-99.1000112V119 E120 T236 L238 L242 L243 V244V119-Y240 HydrophobicContact CG1-CD2 3.87Å; V119-Y240 HydrophobicContact CG1-CE2 4.5Å; E120-Y240 WeakPolarHBondContact OE2-CE2 3.28Å; E120-Y240 PolarHBondContact OE2-OH 3.2Å; T236-Y240 WeakPolarHBondContact O-CB 3.35Å; T236-Y240 PolarHBondContact O-N 2.96Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-Y240 PolarHBondContact O-N 3.08Å; Y240-L242 VanDerWaalsContact C-N 3.32Å; Y240-L242 PolarHBondContact O-N 2.88Å; Y240-L243 WeakPolarHBondContact O-CA 3.43Å; Y240-L243 WeakPolarHBondContact O-CB 3.45Å; Y240-L243 PolarHBondContact O-N 3.2Å; Y240-V244 HydrophobicContact CD1-CG2 4.32Å; Y240-V244 HydrophobicContact CD2-CG2 4.12Å; Y240-V244 HydrophobicContact CE1-CG2 3.79Å; Y240-V244 HydrophobicContact CE2-CG2 3.59Å; Y240-V244 HydrophobicContact CG-CG2 4.46Å; Y240-V244 VanDerWaalsContact CZ-CG2 3.41Å; Y240-V244 PolarHBondContact O-N 3.13Å
241S98.6Very high98.2Very high42 Ų4220.4 Ų20.429%0.29413%0.125SC..Hα-helixtrans-61.7-38.7177.2-650000112.5D237 L238 A239 L243 S245D237-S241 WeakPolarHBondContact O-CB 3.34Å; D237-S241 PolarHBondContact O-N 3.44Å; D237-S241 PolarHBondContact O-OG 3.36Å; L238-S241 WeakPolarHBondContact O-CB 3.46Å; L238-S241 PolarHBondContact O-N 3.37Å; A239-S241 PolarHBondContact O-N 2.88Å; S241-L243 VanDerWaalsContact C-N 3.32Å; S241-S245 VanDerWaalsContact O-CB 3.26Å; S241-S245 WeakPolarHBondContact O-CB 3.23Å; S241-S245 PolarHBondContact O-N 3.43Å; S241-S245 VanDerWaalsContact O-N 3.08Å; S241-S245 PolarHBondContact O-OG 2.95Å
242L98.8Very high98.2Very high0 Ų020.4 Ų20.40%013%0.125CC..Hα-helixtrans-67.1-33.5173.7-66.4173.8000112.1L238 A239 Y240 S245 A247 L248 L272 I302 L303 L306L238-L242 HydrophobicContact CD2-CD1 3.53Å; L238-L242 HydrophobicContact CD2-CG 4.04Å; L238-L242 WeakPolarHBondContact O-CG 3.15Å; L238-L242 PolarHBondContact O-N 3.23Å; A239-L242 PolarHBondContact O-N 2.88Å; Y240-L242 VanDerWaalsContact C-N 3.32Å; Y240-L242 PolarHBondContact O-N 2.88Å; L242-S245 PolarHBondContact O-OG 3.3Å; L242-A247 HydrophobicContact CB-CB 4.48Å; L242-A247 HydrophobicContact CD2-CB 4.06Å; L242-A247 PolarHBondContact O-N 3.2Å; L242-L248 HydrophobicContact CB-CD1 4.07Å; L242-L248 HydrophobicContact CB-CD2 3.91Å; L242-L248 HydrophobicContact CB-CG 3.63Å; L242-L248 HydrophobicContact CD1-CD2 4.23Å; L242-L248 PolarHBondContact O-N 3.4Å; L242-L248 VanDerWaalsContact O-N 3.08Å; L242-L272 HydrophobicContact CD1-CD1 4.22Å; L242-I302 HydrophobicContact CD1-CG2 3.63Å; L242-I302 HydrophobicContact CD2-CG2 4.36Å; L242-L303 HydrophobicContact CD2-CD2 3.54Å; L242-L303 HydrophobicContact CD2-CG 3.92Å; L242-L306 HydrophobicContact CD2-CD1 4.21Å
243L98.6Very high98.2Very high0 Ų020.6 Ų20.60%013%0.126CC..Hα-helixtrans-68-56.1174.2-169.668.6000110.8Y112 L115 M116 V119 A239 Y240 S241 S245 G246 L248 L252 F265Y112-L243 HydrophobicContact CE2-CD1 3.83Å; Y112-L243 PolarHBondContact OH-O 2.84Å; L115-L243 HydrophobicContact CD2-CD1 4.2Å; M116-L243 HydrophobicContact CG-CD1 4.27Å; M116-L243 HydrophobicContact CG-CD2 4Å; M116-L243 HydrophobicContact CG-CG 3.8Å; V119-L243 HydrophobicContact CB-CD2 3.92Å; V119-L243 HydrophobicContact CG1-CD2 3.93Å; V119-L243 HydrophobicContact CG2-CD2 3.96Å; A239-L243 PolarHBondContact O-N 2.89Å; Y240-L243 WeakPolarHBondContact O-CA 3.43Å; Y240-L243 WeakPolarHBondContact O-CB 3.45Å; Y240-L243 PolarHBondContact O-N 3.2Å; S241-L243 VanDerWaalsContact C-N 3.32Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-S245 PolarHBondContact O-N 3.39Å; L243-G246 PolarHBondContact O-N 3.01Å; L243-L248 HydrophobicContact CB-CD1 3.91Å; L243-L248 HydrophobicContact CD1-CB 4.38Å; L243-L248 HydrophobicContact CD1-CD1 4.12Å; L243-L252 HydrophobicContact CD1-CD1 4.06Å; L243-F265 HydrophobicContact CB-CE2 4.2Å; L243-F265 HydrophobicContact CD2-CD2 4.07Å; L243-F265 HydrophobicContact CD2-CE2 4.03Å
244V98.2Very high98Very high82 Ų8222.3 Ų22.350%0.49714%0.135SC..Hα-helixtrans-64.2-34.5-175.4174.70000112.4Y240 G246Y240-V244 HydrophobicContact CD1-CG2 4.32Å; Y240-V244 HydrophobicContact CD2-CG2 4.12Å; Y240-V244 HydrophobicContact CE1-CG2 3.79Å; Y240-V244 HydrophobicContact CE2-CG2 3.59Å; Y240-V244 HydrophobicContact CG-CG2 4.46Å; Y240-V244 VanDerWaalsContact CZ-CG2 3.41Å; Y240-V244 PolarHBondContact O-N 3.13Å; V244-G246 PolarHBondContact O-N 2.89Å
245S98.1Very high97.8Very high78 Ų7822.1 Ų22.155%0.54514%0.135SC..THydrogen-bonded Turntrans-70.1-10.8176.362.30000114.2S241 L242 L243 A247S241-S245 VanDerWaalsContact O-CB 3.26Å; S241-S245 WeakPolarHBondContact O-CB 3.23Å; S241-S245 PolarHBondContact O-N 3.43Å; S241-S245 VanDerWaalsContact O-N 3.08Å; S241-S245 PolarHBondContact O-OG 2.95Å; L242-S245 PolarHBondContact O-OG 3.3Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-S245 PolarHBondContact O-N 3.39Å; S245-A247 VanDerWaalsContact C-N 3.29Å
246G98.1Very high97.5Very high22 Ų2222.3 Ų22.323%0.22714%0.137CC..THydrogen-bonded Turntrans83.6-1.8-174.600000114.2Y112 L243 V244 L248 K249Y112-G246 VanDerWaalsContact OH-CA 3.27Å; Y112-G246 WeakPolarHBondContact OH-CA 3.48Å; L243-G246 PolarHBondContact O-N 3.01Å; V244-G246 PolarHBondContact O-N 2.89Å; G246-L248 VanDerWaalsContact C-N 3.31Å; G246-L248 PolarHBondContact O-N 3.21Å; G246-K249 VanDerWaalsContact O-CB 3.29Å; G246-K249 WeakPolarHBondContact O-CB 3.36Å; G246-K249 VanDerWaalsContact O-CG 3.32Å; G246-K249 WeakPolarHBondContact O-CG 3.44Å; G246-K249 PolarHBondContact O-N 3.43Å; G246-K249 VanDerWaalsContact O-N 3.14Å
247A98.4Very high96.5Very high18 Ų1826.6 Ų26.615%0.14916%0.164CC..THydrogen-bonded Turntrans-63.1-37.6-17700000112.1L242 S245 K249 T250 L303 L306L242-A247 HydrophobicContact CB-CB 4.48Å; L242-A247 HydrophobicContact CD2-CB 4.06Å; L242-A247 PolarHBondContact O-N 3.2Å; S245-A247 VanDerWaalsContact C-N 3.29Å; A247-K249 PolarHBondContact O-N 3.43Å; A247-K249 VanDerWaalsContact O-N 3.17Å; A247-T250 PolarHBondContact O-N 2.9Å; A247-L303 HydrophobicContact CB-CD2 3.66Å; A247-L306 HydrophobicContact CB-CD1 3.99Å
248L98.4Very high95.6Very high0 Ų031.2 Ų31.20%019%0.185CC..THydrogen-bonded Turntrans-68.3-9.1177.6-68.2-178.4000114.3Y112 L242 L243 G246 T250 H251 L252 I268 L306 L313Y112-L248 HydrophobicContact CE2-CB 4.42Å; L242-L248 HydrophobicContact CB-CD1 4.07Å; L242-L248 HydrophobicContact CB-CD2 3.91Å; L242-L248 HydrophobicContact CB-CG 3.63Å; L242-L248 HydrophobicContact CD1-CD2 4.23Å; L242-L248 PolarHBondContact O-N 3.4Å; L242-L248 VanDerWaalsContact O-N 3.08Å; L243-L248 HydrophobicContact CB-CD1 3.91Å; L243-L248 HydrophobicContact CD1-CB 4.38Å; L243-L248 HydrophobicContact CD1-CD1 4.12Å; G246-L248 VanDerWaalsContact C-N 3.31Å; G246-L248 PolarHBondContact O-N 3.21Å; L248-T250 PolarHBondContact O-N 3.35Å; L248-H251 PolarHBondContact O-N 3.38Å; L248-L252 HydrophobicContact CB-CD1 4.21Å; L248-L252 HydrophobicContact CB-CG 4.48Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 WeakPolarHBondContact O-CG 3.46Å; L248-L252 PolarHBondContact O-N 2.98Å; L248-I268 HydrophobicContact CD1-CD1 3.98Å; L248-I268 HydrophobicContact CD1-CG2 4.3Å; L248-I268 HydrophobicContact CD2-CD1 4.28Å; L248-I268 HydrophobicContact CD2-CG2 4.1Å; L248-L306 HydrophobicContact CD2-CD1 4.16Å; L248-L313 HydrophobicContact CD2-CD1 3.96Å
249K97.9Very high95.2Very high27 Ų2734.6 Ų34.612%0.11720%0.201CC..Hα-helixtrans-57.2-38.6173.7-71.5-178.2173.3-175.10112L52 E55 Y112 G246 A247 H251 Y253L52-K249 HydrophobicContact CD2-CB 4.01Å; L52-K249 HydrophobicContact CD2-CD 4.04Å; E55-K249 IonicContact OE1-NZ 2.65Å; E55-K249 PolarHBondContact OE1-NZ 3.17Å; E55-K249 IonicContact OE2-NZ 2.8Å; E55-K249 PolarHBondContact OE2-NZ 3.04Å; Y112-K249 HydrophobicContact CD1-CG 4.21Å; Y112-K249 HydrophobicContact CD2-CG 3.81Å; Y112-K249 HydrophobicContact CE1-CD 4.35Å; Y112-K249 HydrophobicContact CE1-CG 3.85Å; Y112-K249 HydrophobicContact CE2-CB 4.23Å; Y112-K249 HydrophobicContact CE2-CG 3.39Å; Y112-K249 HydrophobicContact CG-CG 4.19Å; Y112-K249 VanDerWaalsContact CZ-CG 3.42Å; G246-K249 VanDerWaalsContact O-CB 3.29Å; G246-K249 WeakPolarHBondContact O-CB 3.36Å; G246-K249 VanDerWaalsContact O-CG 3.32Å; G246-K249 WeakPolarHBondContact O-CG 3.44Å; G246-K249 PolarHBondContact O-N 3.43Å; G246-K249 VanDerWaalsContact O-N 3.14Å; A247-K249 PolarHBondContact O-N 3.43Å; A247-K249 VanDerWaalsContact O-N 3.17Å; K249-H251 VanDerWaalsContact C-N 3.34Å; K249-H251 PolarHBondContact O-N 2.79Å; K249-Y253 HydrophobicContact CB-CD2 4.08Å; K249-Y253 HydrophobicContact CB-CE2 3.76Å; K249-Y253 HydrophobicContact CD-CE2 4.08Å; K249-Y253 HydrophobicContact CG-CE2 4.05Å; K249-Y253 WeakPolarHBondContact O-CB 3.37Å; K249-Y253 WeakPolarHBondContact O-CD2 3.4Å; K249-Y253 PolarHBondContact O-N 3.31Å
250T97.4Very high95Very high14 Ų1435 Ų359%0.08620%0.204CC..Hα-helixtrans-56.8-49.4177.2-60.50000111.1A48 A247 L248 N254 L306 N308 M311A48-T250 HydrophobicContact CB-CG2 4.46Å; A48-T250 VanDerWaalsContact CB-O 3.32Å; A48-T250 WeakPolarHBondContact CB-O 3.29Å; A247-T250 PolarHBondContact O-N 2.9Å; L248-T250 PolarHBondContact O-N 3.35Å; T250-N254 VanDerWaalsContact O-CG 3.25Å; T250-N254 PolarHBondContact O-ND2 3.11Å; T250-L306 WeakPolarHBondContact CB-O 3.28Å; T250-L306 WeakPolarHBondContact CG2-O 3.48Å; T250-L306 PolarHBondContact OG1-O 3.44Å; T250-N308 WeakPolarHBondContact CG2-O 3.38Å; T250-M311 HydrophobicContact CG2-CB 4.09Å
251H97.3Very high94.8Very high7 Ų734.3 Ų34.33%0.03221%0.21CC..Hα-helixtrans-71.8-52.1179.8166.264.1000111.9L248 K249 Y253 N254 V255 I268 L306 L313L248-H251 PolarHBondContact O-N 3.38Å; K249-H251 VanDerWaalsContact C-N 3.34Å; K249-H251 PolarHBondContact O-N 2.79Å; H251-Y253 VanDerWaalsContact C-N 3.32Å; H251-Y253 PolarHBondContact O-N 3.33Å; H251-N254 WeakPolarHBondContact O-CA 3.28Å; H251-N254 WeakPolarHBondContact O-CB 3.48Å; H251-N254 PolarHBondContact O-N 3.36Å; H251-V255 WeakPolarHBondContact O-CG2 3.28Å; H251-V255 PolarHBondContact O-N 3.03Å; H251-I268 WeakPolarHBondContact CD2-CD1 3.49Å; H251-I268 VanDerWaalsContact CD2-CG1 3.44Å; H251-I268 WeakPolarHBondContact CD2-CG1 3.43Å; H251-I268 VanDerWaalsContact NE2-CG1 3.27Å; H251-I268 WeakPolarHBondContact NE2-CG1 3.1Å; H251-L306 HydrophobicContact CB-CD2 3.97Å; H251-L313 HydrophobicContact CB-CG 4.25Å; H251-L313 PolarHBondContact CE1-O 3.41Å; H251-L313 PolarHBondContact ND1-N 3.13Å
252L97.2Very high94.7Very high3 Ų333.7 Ų33.72%0.01620%0.203CC..Hα-helixtrans-62-38.1-174.1-72.4175.3000112.4Y112 L115 L243 L248 N254 V255 A256 A260 H264 I268Y112-L252 HydrophobicContact CD2-CB 4.43Å; Y112-L252 HydrophobicContact CD2-CD1 3.67Å; Y112-L252 HydrophobicContact CE2-CD1 3.66Å; L115-L252 HydrophobicContact CD2-CD1 3.66Å; L243-L252 HydrophobicContact CD1-CD1 4.06Å; L248-L252 HydrophobicContact CB-CD1 4.21Å; L248-L252 HydrophobicContact CB-CG 4.48Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 WeakPolarHBondContact O-CG 3.46Å; L248-L252 PolarHBondContact O-N 2.98Å; L252-N254 PolarHBondContact O-N 3.17Å; L252-V255 PolarHBondContact O-N 2.98Å; L252-A256 WeakPolarHBondContact O-CB 3.06Å; L252-A256 PolarHBondContact O-N 3.48Å; L252-A260 HydrophobicContact CB-CB 4.4Å; L252-A260 HydrophobicContact CD1-CB 4.27Å; L252-A260 HydrophobicContact CD2-CB 3.89Å; L252-A260 HydrophobicContact CG-CB 4.43Å; L252-H264 HydrophobicContact CD2-CB 3.76Å; L252-I268 HydrophobicContact CD2-CD1 3.86Å; L252-I268 HydrophobicContact CG-CD1 4.26Å
253Y96.7Very high94.5Very high4 Ų438.7 Ų38.72%0.01623%0.227CC..Hα-helixtrans-72.2-15.1175.8-61.9-14.9000113.4G47 T51 L52 Q108 Y112 K249 H251G47-Y253 CarbonylContact C-O 3.58Å; G47-Y253 VanDerWaalsContact CA-O 3.29Å; G47-Y253 WeakPolarHBondContact CA-O 3.46Å; T51-Y253 HydrophobicContact CG2-CD1 4.14Å; T51-Y253 HydrophobicContact CG2-CD2 3.48Å; T51-Y253 VanDerWaalsContact CG2-CD2 3.48Å; T51-Y253 HydrophobicContact CG2-CE1 4.17Å; T51-Y253 HydrophobicContact CG2-CE2 3.51Å; T51-Y253 HydrophobicContact CG2-CG 3.81Å; L52-Y253 HydrophobicContact CD2-CD2 4.29Å; L52-Y253 HydrophobicContact CD2-CE2 3.94Å; L52-Y253 HydrophobicContact CG-CD2 4.12Å; L52-Y253 HydrophobicContact CG-CE2 4.21Å; Q108-Y253 HydrophobicContact CB-CD1 3.72Å; Q108-Y253 HydrophobicContact CB-CE1 3.92Å; Q108-Y253 HydrophobicContact CB-CG 4.48Å; Q108-Y253 HydrophobicContact CG-CD1 4.38Å; Q108-Y253 PolarHBondContact NE2-O 3.46Å; Q108-Y253 WeakPolarHBondContact O-CE1 3.47Å; Y112-Y253 HydrophobicContact CD2-CE1 4.32Å; Y112-Y253 HydrophobicContact CG-CE1 4.45Å; K249-Y253 HydrophobicContact CB-CD2 4.08Å; K249-Y253 HydrophobicContact CB-CE2 3.76Å; K249-Y253 HydrophobicContact CD-CE2 4.08Å; K249-Y253 HydrophobicContact CG-CE2 4.05Å; K249-Y253 WeakPolarHBondContact O-CB 3.37Å; K249-Y253 WeakPolarHBondContact O-CD2 3.4Å; K249-Y253 PolarHBondContact O-N 3.31Å; H251-Y253 VanDerWaalsContact C-N 3.32Å; H251-Y253 PolarHBondContact O-N 3.33Å
254N95.2Very high94.4Very high50 Ų5040.5 Ų40.527%0.26724%0.235SC..Hα-helixtrans-90.3-30.6175-74.6-22.5000112.8G47 A48 T250 H251 L252 P309 M311G47-N254 WeakPolarHBondContact CA-OD1 3.37Å; A48-N254 WeakPolarHBondContact CB-OD1 3.3Å; A48-N254 PolarHBondContact N-OD1 3.3Å; T250-N254 VanDerWaalsContact O-CG 3.25Å; T250-N254 PolarHBondContact O-ND2 3.11Å; H251-N254 WeakPolarHBondContact O-CA 3.28Å; H251-N254 WeakPolarHBondContact O-CB 3.48Å; H251-N254 PolarHBondContact O-N 3.36Å; L252-N254 PolarHBondContact O-N 3.17Å; N254-P309 PolarHBondContact ND2-O 2.89Å; N254-M311 PolarHBondContact ND2-O 2.67Å
255V93.1Very high94.4Very high31 Ų3136.6 Ų36.619%0.18821%0.211CC..Hα-helixtrans-106-21.9-173.7-55.20000114.5H251 L252 P257 A312H251-V255 WeakPolarHBondContact O-CG2 3.28Å; H251-V255 PolarHBondContact O-N 3.03Å; L252-V255 PolarHBondContact O-N 2.98Å; V255-P257 VanDerWaalsContact O-CD 3.29Å; V255-P257 WeakPolarHBondContact O-CD 3.49Å; V255-A312 HydrophobicContact CG1-CB 3.75Å
256A91.9Very high94.3Very high4 Ų434 Ų343%0.03319%0.191CC..  trans-113.486.8177.500000109Q108 L252 E258 A260Q108-A256 WeakPolarHBondContact CG-O 3.32Å; Q108-A256 PolarHBondContact NE2-O 3.06Å; L252-A256 WeakPolarHBondContact O-CB 3.06Å; L252-A256 PolarHBondContact O-N 3.48Å; A256-E258 PolarHBondContact O-N 3.35Å; A256-A260 HydrophobicContact CB-CB 4.08Å
257P78.9Confident94.3Very high90 Ų9035.3 Ų35.358%0.58419%0.191SC*.SBendtrans-64.2-25.1-177.424.7-33.2000113.2V255V255-P257 VanDerWaalsContact O-CD 3.29Å; V255-P257 WeakPolarHBondContact O-CD 3.49Å
258E79.6Confident94.2Very high144 Ų14434.4 Ų34.467%0.67318%0.184SC*.SBendtrans-97.1-90.5174.8-59.3-174.9171.100110.6L107 Q108 A256L107-E258 CarbonylContact C-O 3.59Å; L107-E258 VanDerWaalsContact C-O 3.3Å; L107-E258 WeakPolarHBondContact CB-O 3.33Å; Q108-E258 WeakPolarHBondContact CA-O 3.26Å; Q108-E258 PolarHBondContact N-O 3.08Å; A256-E258 PolarHBondContact O-N 3.35Å
259M89.3Confident94.2Very high70 Ų7034.4 Ų34.435%0.34518%0.184SC..  trans-135.7127.7-173.3-157.9-178.2-6800110.7P74 L107P74-M259 HydrophobicContact CB-CE 3.5Å; P74-M259 HydrophobicContact CG-CE 3.53Å; P74-M259 HydrophobicContact CG-SD 4.31Å; L107-M259 HydrophobicContact CD2-CE 4.13Å
260A94.2Very high94.2Very high8 Ų833.5 Ų33.57%0.06618%0.18CC..  trans-74.3131.6171.700000110.2L115 L252 A256L115-A260 HydrophobicContact CD2-CB 3.92Å; L252-A260 HydrophobicContact CB-CB 4.4Å; L252-A260 HydrophobicContact CD1-CB 4.27Å; L252-A260 HydrophobicContact CD2-CB 3.89Å; L252-A260 HydrophobicContact CG-CB 4.43Å; A256-A260 HydrophobicContact CB-CB 4.08Å
261G94.1Very high94.2Very high27 Ų2733.4 Ų33.428%0.27818%0.179SC..  trans-118.6177.717300000112.5L115 Q263 H264L115-G261 VanDerWaalsContact CD1-C 3.5Å; G261-Q263 PolarHBondContact O-N 3.06Å; G261-Q263 VanDerWaalsContact O-N 3.14Å; G261-H264 PolarHBondContact N-ND1 2.92Å; G261-H264 WeakPolarHBondContact O-CB 3.2Å; G261-H264 PolarHBondContact O-N 3.32Å
262L96.8Very high94.2Very high28 Ų2833.1 Ų33.115%0.14718%0.177CC..Hα-helixtrans-52.2-37.7-176.7-175.262.9000113.5V119 L122 L179 H264 F265 Q266V119-L262 HydrophobicContact CG2-CD1 4.09Å; L122-L262 HydrophobicContact CD1-CD1 3.8Å; L122-L262 HydrophobicContact CD1-CD2 3.59Å; L122-L262 HydrophobicContact CD1-CG 4.36Å; L179-L262 HydrophobicContact CD1-CD1 4.3Å; L262-H264 VanDerWaalsContact C-N 3.26Å; L262-H264 PolarHBondContact O-N 3Å; L262-F265 WeakPolarHBondContact O-CA 3.41Å; L262-F265 WeakPolarHBondContact O-CB 3.16Å; L262-F265 PolarHBondContact O-N 2.87Å; L262-Q266 HydrophobicContact CG-CG 4.48Å; L262-Q266 PolarHBondContact O-N 2.94Å
263Q95Very high94.2Very high105 Ų10533 Ų3349%0.49118%0.176SC..Hα-helixtrans-55.3-39.1176.5-173-177.310.200112.7Y186 G261 F265 Q266 Q267Y186-Q263 HydrophobicContact CE2-CG 4.32Å; G261-Q263 PolarHBondContact O-N 3.06Å; G261-Q263 VanDerWaalsContact O-N 3.14Å; Q263-F265 VanDerWaalsContact C-N 3.31Å; Q263-F265 PolarHBondContact O-N 2.58Å; Q263-Q266 PolarHBondContact O-N 3.48Å; Q263-Q267 VanDerWaalsContact O-CG 3.32Å; Q263-Q267 WeakPolarHBondContact O-CG 3.26Å; Q263-Q267 PolarHBondContact O-N 2.77Å
264H96.1Very high94.1Very high39 Ų3934.6 Ų34.618%0.18118%0.184CC..Hα-helixtrans-66.3-36.7177.5-6484.3000111.1L252 G261 L262 Q267 I268L252-H264 HydrophobicContact CD2-CB 3.76Å; G261-H264 PolarHBondContact N-ND1 2.92Å; G261-H264 WeakPolarHBondContact O-CB 3.2Å; G261-H264 PolarHBondContact O-N 3.32Å; L262-H264 VanDerWaalsContact C-N 3.26Å; L262-H264 PolarHBondContact O-N 3Å; H264-Q267 PolarHBondContact O-N 2.82Å; H264-I268 VanDerWaalsContact O-CD1 3.31Å; H264-I268 WeakPolarHBondContact O-CD1 3.25Å; H264-I268 WeakPolarHBondContact O-CG1 3.42Å; H264-I268 PolarHBondContact O-N 3.25Å
265F98Very high94.2Very high0 Ų032.8 Ų32.80%017%0.174CC..Hα-helixtrans-66.1-40.2174.6-176.1-95.3000111.7L115 V119 L179 A239 L243 L262 Q263 I268 F269L115-F265 HydrophobicContact CD1-CB 4.21Å; V119-F265 HydrophobicContact CG1-CE1 4.12Å; V119-F265 HydrophobicContact CG1-CE2 4.14Å; V119-F265 HydrophobicContact CG1-CZ 3.9Å; V119-F265 HydrophobicContact CG2-CB 4.28Å; V119-F265 HydrophobicContact CG2-CD1 4.1Å; V119-F265 HydrophobicContact CG2-CD2 4.12Å; V119-F265 HydrophobicContact CG2-CE1 4.47Å; V119-F265 HydrophobicContact CG2-CE2 4.49Å; V119-F265 HydrophobicContact CG2-CG 3.9Å; L179-F265 HydrophobicContact CD1-CD1 4.16Å; L179-F265 HydrophobicContact CD1-CE1 3.87Å; L179-F265 HydrophobicContact CD2-CE1 3.94Å; L179-F265 HydrophobicContact CD2-CZ 4.29Å; L179-F265 HydrophobicContact CG-CE1 4.2Å; A239-F265 HydrophobicContact CB-CE1 4.45Å; A239-F265 HydrophobicContact CB-CE2 3.9Å; A239-F265 HydrophobicContact CB-CZ 3.7Å; L243-F265 HydrophobicContact CB-CE2 4.2Å; L243-F265 HydrophobicContact CD2-CD2 4.07Å; L243-F265 HydrophobicContact CD2-CE2 4.03Å; L262-F265 WeakPolarHBondContact O-CA 3.41Å; L262-F265 WeakPolarHBondContact O-CB 3.16Å; L262-F265 PolarHBondContact O-N 2.87Å; Q263-F265 VanDerWaalsContact C-N 3.31Å; Q263-F265 PolarHBondContact O-N 2.58Å; F265-I268 WeakPolarHBondContact O-CB 3.41Å; F265-I268 PolarHBondContact O-N 3.2Å; F265-F269 PolarHBondContact O-N 2.73Å
266Q97.7Very high94.3Very high23 Ų2331.3 Ų31.311%0.10717%0.165CC..Hα-helixtrans-66.8-38.3176-70.7170.6-38.100112.4N183 Y186 L262 Q263 I268 F269 C270N183-Q266 WeakPolarHBondContact OD1-CG 3.37Å; Y186-Q266 HydrophobicContact CD1-CB 3.54Å; Y186-Q266 HydrophobicContact CD1-CG 4.43Å; Y186-Q266 HydrophobicContact CD2-CB 3.87Å; Y186-Q266 VanDerWaalsContact CD2-CD 3.46Å; Y186-Q266 HydrophobicContact CD2-CG 4.17Å; Y186-Q266 HydrophobicContact CE1-CB 3.75Å; Y186-Q266 HydrophobicContact CE2-CB 4.08Å; Y186-Q266 HydrophobicContact CG-CB 3.6Å; Y186-Q266 HydrophobicContact CG-CG 4.03Å; L262-Q266 HydrophobicContact CG-CG 4.48Å; L262-Q266 PolarHBondContact O-N 2.94Å; Q263-Q266 PolarHBondContact O-N 3.48Å; Q266-I268 VanDerWaalsContact C-N 3.34Å; Q266-I268 PolarHBondContact O-N 2.96Å; Q266-F269 WeakPolarHBondContact O-CA 3.27Å; Q266-F269 VanDerWaalsContact O-CB 3.29Å; Q266-F269 WeakPolarHBondContact O-CB 3.49Å; Q266-F269 PolarHBondContact O-N 2.63Å; Q266-F269 VanDerWaalsContact O-N 3.14Å; Q266-C270 PolarHBondContact O-N 2.74Å; Q266-C270 PolarHBondContact O-SG 3.37Å
267Q96.4Very high94.4Very high49 Ų4931.5 Ų31.523%0.22917%0.165CC..Hα-helixtrans-62.9-40172.4-72.8169.8-21.100112.3Y186 Q263 H264 F269 C270 Y271Y186-Q267 HydrophobicContact CE1-CG 4.42Å; Q263-Q267 VanDerWaalsContact O-CG 3.32Å; Q263-Q267 WeakPolarHBondContact O-CG 3.26Å; Q263-Q267 PolarHBondContact O-N 2.77Å; H264-Q267 PolarHBondContact O-N 2.82Å; Q267-F269 VanDerWaalsContact C-N 3.3Å; Q267-F269 PolarHBondContact O-N 3.25Å; Q267-C270 PolarHBondContact O-N 3.24Å; Q267-Y271 PolarHBondContact O-N 3.44Å
268I97.6Very high95Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-61.9-41.3172.5-66.8159.6000110.2L248 H251 L252 H264 F265 Q266 Y271 L272 L313L248-I268 HydrophobicContact CD1-CD1 3.98Å; L248-I268 HydrophobicContact CD1-CG2 4.3Å; L248-I268 HydrophobicContact CD2-CD1 4.28Å; L248-I268 HydrophobicContact CD2-CG2 4.1Å; H251-I268 WeakPolarHBondContact CD2-CD1 3.49Å; H251-I268 VanDerWaalsContact CD2-CG1 3.44Å; H251-I268 WeakPolarHBondContact CD2-CG1 3.43Å; H251-I268 VanDerWaalsContact NE2-CG1 3.27Å; H251-I268 WeakPolarHBondContact NE2-CG1 3.1Å; L252-I268 HydrophobicContact CD2-CD1 3.86Å; L252-I268 HydrophobicContact CG-CD1 4.26Å; H264-I268 VanDerWaalsContact O-CD1 3.31Å; H264-I268 WeakPolarHBondContact O-CD1 3.25Å; H264-I268 WeakPolarHBondContact O-CG1 3.42Å; H264-I268 PolarHBondContact O-N 3.25Å; F265-I268 WeakPolarHBondContact O-CB 3.41Å; F265-I268 PolarHBondContact O-N 3.2Å; Q266-I268 VanDerWaalsContact C-N 3.34Å; Q266-I268 PolarHBondContact O-N 2.96Å; I268-Y271 PolarHBondContact O-N 3.34Å; I268-L272 HydrophobicContact CG2-CD1 3.73Å; I268-L272 HydrophobicContact CG2-CG 4.18Å; I268-L272 WeakPolarHBondContact O-CB 2.85Å; I268-L272 WeakPolarHBondContact O-CG 3.34Å; I268-L272 PolarHBondContact O-N 2.56Å; I268-L313 HydrophobicContact CG2-CD1 4.4Å
269F98.3Very high95.7Very high0 Ų025.4 Ų25.40%013%0.125CC..Hα-helixtrans-58.4-48.6174.3168.4-100.3000111.8N183 L184 F187 G232 I235 T236 F265 Q266 Q267 Y271 L272 M273N183-F269 VanDerWaalsContact C-CE1 3.43Å; N183-F269 HydrophobicContact CB-CD1 3.66Å; N183-F269 HydrophobicContact CB-CD2 4.1Å; N183-F269 HydrophobicContact CB-CE1 3.81Å; N183-F269 HydrophobicContact CB-CE2 4.27Å; N183-F269 HydrophobicContact CB-CG 3.8Å; N183-F269 HydrophobicContact CB-CZ 4.12Å; N183-F269 WeakPolarHBondContact O-CD1 3.49Å; N183-F269 WeakPolarHBondContact O-CE1 3.4Å; L184-F269 HydrophobicContact CD2-CZ 4.4Å; F187-F269 HydrophobicContact CB-CD1 4.2Å; F187-F269 HydrophobicContact CB-CE1 3.69Å; F187-F269 HydrophobicContact CG-CE1 4.3Å; G232-F269 WeakPolarHBondContact O-CE2 3.46Å; I235-F269 HydrophobicContact CB-CD2 4.49Å; I235-F269 HydrophobicContact CB-CE2 4.11Å; I235-F269 HydrophobicContact CG2-CD2 3.95Å; I235-F269 HydrophobicContact CG2-CE2 3.99Å; T236-F269 WeakPolarHBondContact OG1-CE2 3.32Å; F265-F269 PolarHBondContact O-N 2.73Å; Q266-F269 WeakPolarHBondContact O-CA 3.27Å; Q266-F269 VanDerWaalsContact O-CB 3.29Å; Q266-F269 WeakPolarHBondContact O-CB 3.49Å; Q266-F269 PolarHBondContact O-N 2.63Å; Q266-F269 VanDerWaalsContact O-N 3.14Å; Q267-F269 VanDerWaalsContact C-N 3.3Å; Q267-F269 PolarHBondContact O-N 3.25Å; F269-Y271 PolarHBondContact O-N 2.98Å; F269-L272 PolarHBondContact O-N 2.98Å; F269-M273 HydrophobicContact CD1-CG 4.41Å; F269-M273 HydrophobicContact CD2-CG 4.16Å; F269-M273 HydrophobicContact CE1-CG 3.89Å; F269-M273 HydrophobicContact CE2-CG 3.57Å; F269-M273 HydrophobicContact CE2-SD 3.95Å; F269-M273 HydrophobicContact CZ-CE 4.42Å; F269-M273 HydrophobicContact CZ-CG 3.44Å; F269-M273 VanDerWaalsContact CZ-CG 3.44Å; F269-M273 HydrophobicContact CZ-SD 3.92Å; F269-M273 WeakPolarHBondContact O-CG 3.35Å; F269-M273 PolarHBondContact O-N 3.43Å
270C97.5Very high95.8Very high7 Ų722.3 Ų22.35%0.04711%0.109CC..Hα-helixtrans-58.5-45.3176.8-62.60000112.3F187 Q266 Q267 M273 Q274F187-C270 HydrophobicContact CD2-CB 3.89Å; F187-C270 VanDerWaalsContact CD2-SG 3.6Å; F187-C270 HydrophobicContact CE2-CB 4.37Å; Q266-C270 PolarHBondContact O-N 2.74Å; Q266-C270 PolarHBondContact O-SG 3.37Å; Q267-C270 PolarHBondContact O-N 3.24Å; C270-M273 PolarHBondContact O-N 3.32Å; C270-Q274 WeakPolarHBondContact O-CG 3.47Å; C270-Q274 PolarHBondContact O-N 3.17Å; C270-Q274 PolarHBondContact O-NE2 3.2Å
271Y97.1Very high95.5Very high13 Ų1326.3 Ų26.35%0.05113%0.128CC..Hα-helixtrans-58.4-49175.1172.7-95.2000111.6Q267 I268 F269 M273 Q274 E275 I302 L313 C314Q267-Y271 PolarHBondContact O-N 3.44Å; I268-Y271 PolarHBondContact O-N 3.34Å; F269-Y271 PolarHBondContact O-N 2.98Å; Y271-M273 VanDerWaalsContact C-N 3.32Å; Y271-M273 PolarHBondContact O-N 2.61Å; Y271-Q274 PolarHBondContact O-N 3.14Å; Y271-E275 HydrophobicContact CD1-CG 4.12Å; Y271-E275 HydrophobicContact CD2-CG 4.08Å; Y271-E275 HydrophobicContact CE1-CB 4.46Å; Y271-E275 HydrophobicContact CE1-CG 3.63Å; Y271-E275 HydrophobicContact CE2-CG 3.61Å; Y271-E275 HydrophobicContact CG-CG 4.34Å; Y271-E275 WeakPolarHBondContact O-CB 3.17Å; Y271-E275 WeakPolarHBondContact O-CG 3.31Å; Y271-E275 PolarHBondContact O-N 3.15Å; Y271-I302 HydrophobicContact CE1-CD1 4.43Å; Y271-L313 HydrophobicContact CD1-CB 3.67Å; Y271-L313 HydrophobicContact CD1-CD1 4.46Å; Y271-L313 HydrophobicContact CD1-CD2 4.44Å; Y271-L313 HydrophobicContact CD1-CG 4.39Å; Y271-L313 HydrophobicContact CE1-CB 3.73Å; Y271-L313 HydrophobicContact CE1-CD1 4.44Å; Y271-L313 HydrophobicContact CE1-CD2 3.7Å; Y271-L313 HydrophobicContact CE1-CG 4.13Å; Y271-L313 HydrophobicContact CG-CB 4.17Å; Y271-C314 VanDerWaalsContact CD2-O 3.27Å; Y271-C314 WeakPolarHBondContact CD2-O 3.35Å; Y271-C314 VanDerWaalsContact CE2-O 3.25Å; Y271-C314 WeakPolarHBondContact CE2-O 3.34Å
272L98Very high95.4Very high0 Ų030.9 Ų30.90%014%0.143CC..Hα-helixtrans-65.1-36.1-178.3-70171.8000112I235 L238 A239 L242 I268 F269 F276 F298 I302I235-L272 HydrophobicContact CG2-CB 3.62Å; L238-L272 HydrophobicContact CD2-CD1 3.94Å; L238-L272 HydrophobicContact CD2-CD2 4.26Å; A239-L272 HydrophobicContact CB-CD1 3.77Å; L242-L272 HydrophobicContact CD1-CD1 4.22Å; I268-L272 HydrophobicContact CG2-CD1 3.73Å; I268-L272 HydrophobicContact CG2-CG 4.18Å; I268-L272 WeakPolarHBondContact O-CB 2.85Å; I268-L272 WeakPolarHBondContact O-CG 3.34Å; I268-L272 PolarHBondContact O-N 2.56Å; F269-L272 PolarHBondContact O-N 2.98Å; L272-F276 WeakPolarHBondContact O-CB 3.23Å; L272-F276 PolarHBondContact O-N 2.94Å; L272-F298 HydrophobicContact CD2-CE1 4.04Å; L272-F298 HydrophobicContact CD2-CZ 4.14Å; L272-I302 HydrophobicContact CD2-CD1 4.01Å; L272-I302 HydrophobicContact CD2-CG1 3.89Å; L272-I302 HydrophobicContact CD2-CG2 4.18Å
273M96.9Very high95.1Very high0 Ų031.7 Ų31.70%015%0.146CC..Hα-helixtrans-59.8-51.4174.2-80.4-66.2-78.400111.4F187 M198 F228 G232 I235 F269 C270 Y271 F276 Q277F187-M273 HydrophobicContact CD1-CE 4.25Å; F187-M273 HydrophobicContact CD1-CG 4.44Å; F187-M273 HydrophobicContact CE1-CB 4.11Å; F187-M273 HydrophobicContact CE1-CE 4.07Å; F187-M273 HydrophobicContact CE1-CG 4.45Å; F187-M273 HydrophobicContact CZ-CB 4.22Å; M198-M273 HydrophobicContact CE-CB 4.08Å; M198-M273 HydrophobicContact CE-CE 3.66Å; M198-M273 WeakPolarHBondContact CE-O 3.05Å; M198-M273 HydrophobicContact CE-SD 4.48Å; M198-M273 HydrophobicContact SD-CB 4.43Å; F228-M273 HydrophobicContact CD2-CE 4.48Å; F228-M273 HydrophobicContact CE2-CE 4.1Å; F228-M273 HydrophobicContact CZ-CE 4.41Å; G232-M273 VanDerWaalsContact CA-SD 3.59Å; I235-M273 HydrophobicContact CB-SD 3.89Å; I235-M273 HydrophobicContact CG1-SD 3.87Å; I235-M273 HydrophobicContact CG2-CG 4.13Å; I235-M273 HydrophobicContact CG2-SD 4.11Å; F269-M273 HydrophobicContact CD1-CG 4.41Å; F269-M273 HydrophobicContact CD2-CG 4.16Å; F269-M273 HydrophobicContact CE1-CG 3.89Å; F269-M273 HydrophobicContact CE2-CG 3.57Å; F269-M273 HydrophobicContact CE2-SD 3.95Å; F269-M273 HydrophobicContact CZ-CE 4.42Å; F269-M273 HydrophobicContact CZ-CG 3.44Å; F269-M273 VanDerWaalsContact CZ-CG 3.44Å; F269-M273 HydrophobicContact CZ-SD 3.92Å; F269-M273 WeakPolarHBondContact O-CG 3.35Å; F269-M273 PolarHBondContact O-N 3.43Å; C270-M273 PolarHBondContact O-N 3.32Å; Y271-M273 VanDerWaalsContact C-N 3.32Å; Y271-M273 PolarHBondContact O-N 2.61Å; M273-F276 PolarHBondContact O-N 2.92Å; M273-Q277 PolarHBondContact O-N 3.01Å
274Q95.4Very high94.6Very high39 Ų3931.3 Ų31.318%0.18215%0.147CC..Hα-helixtrans-68.3-41.9-178.4-68.4175.959.600113F187 D191 A194 M198 C270 Y271 F276 Q277 R278F187-Q274 HydrophobicContact CE2-CG 4.28Å; F187-Q274 HydrophobicContact CZ-CG 4.27Å; D191-Q274 PolarHBondContact OD2-NE2 2.82Å; A194-Q274 HydrophobicContact CB-CG 4.24Å; M198-Q274 HydrophobicContact SD-CG 4.24Å; C270-Q274 WeakPolarHBondContact O-CG 3.47Å; C270-Q274 PolarHBondContact O-N 3.17Å; C270-Q274 PolarHBondContact O-NE2 3.2Å; Y271-Q274 PolarHBondContact O-N 3.14Å; Q274-F276 VanDerWaalsContact C-N 3.31Å; Q274-Q277 PolarHBondContact O-N 3.42Å; Q274-R278 PolarHBondContact O-N 3.44Å; Q274-R278 VanDerWaalsContact O-N 3.14Å
275E95.9Very high94.1Very high11 Ų1129.6 Ų29.65%0.05114%0.139CC..Hα-helixtrans-66.4-35.8174.7-74.2-72.9152.800111.5Y271 R278 F279 F298Y271-E275 HydrophobicContact CD1-CG 4.12Å; Y271-E275 HydrophobicContact CD2-CG 4.08Å; Y271-E275 HydrophobicContact CE1-CB 4.46Å; Y271-E275 HydrophobicContact CE1-CG 3.63Å; Y271-E275 HydrophobicContact CE2-CG 3.61Å; Y271-E275 HydrophobicContact CG-CG 4.34Å; Y271-E275 WeakPolarHBondContact O-CB 3.17Å; Y271-E275 WeakPolarHBondContact O-CG 3.31Å; Y271-E275 PolarHBondContact O-N 3.15Å; E275-R278 VanDerWaalsContact CD-CZ 3.46Å; E275-R278 VanDerWaalsContact CD-NH1 3.31Å; E275-R278 IonicContact OE1-CZ 3.09Å; E275-R278 IonicContact OE1-NH1 2.82Å; E275-R278 PolarHBondContact OE1-NH1 3.12Å; E275-R278 IonicContact OE1-NH2 3.88Å; E275-R278 PolarHBondContact OE1-NH2 3.31Å; E275-R278 IonicContact OE2-CZ 3.85Å; E275-R278 IonicContact OE2-NH1 3.44Å; E275-R278 PolarHBondContact OE2-NH1 3.05Å; E275-R278 IonicContact OE2-NH2 2.68Å; E275-F279 WeakPolarHBondContact O-CB 3.39Å; E275-F279 PolarHBondContact O-N 3.32Å; E275-F298 HydrophobicContact CB-CE2 3.87Å; E275-F298 HydrophobicContact CB-CZ 3.78Å
276F95.8Very high93.2Very high0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-67.4-40.9175.7-177.1-104.3000111.4Y226 V231 I235 L272 M273 Q274 F279 W280 F291 V294 R295 F298Y226-F276 HydrophobicContact CE1-CE1 4.42Å; V231-F276 HydrophobicContact CG1-CD1 3.75Å; V231-F276 HydrophobicContact CG1-CE1 3.64Å; I235-F276 HydrophobicContact CD1-CB 3.92Å; I235-F276 HydrophobicContact CD1-CD1 4.06Å; I235-F276 HydrophobicContact CD1-CD2 4.03Å; I235-F276 HydrophobicContact CD1-CG 3.71Å; I235-F276 HydrophobicContact CG1-CD1 4.4Å; I235-F276 HydrophobicContact CG1-CG 4.44Å; L272-F276 WeakPolarHBondContact O-CB 3.23Å; L272-F276 PolarHBondContact O-N 2.94Å; M273-F276 PolarHBondContact O-N 2.92Å; Q274-F276 VanDerWaalsContact C-N 3.31Å; F276-F279 CarbonylContact O-C 3.58Å; F276-F279 PolarHBondContact O-N 3.19Å; F276-W280 HydrophobicContact CE1-CE3 4.15Å; F276-W280 AromaticContact CZ-CE3 3.71Å; F276-W280 HydrophobicContact CZ-CE3 3.71Å; F276-W280 HydrophobicContact CZ-CZ3 4.28Å; F276-W280 VanDerWaalsContact O-CB 3.28Å; F276-W280 WeakPolarHBondContact O-CB 3.1Å; F276-W280 PolarHBondContact O-N 2.85Å; F276-F291 AromaticContact CE1-CE2 3.77Å; F276-F291 HydrophobicContact CE1-CE2 3.77Å; F276-F291 HydrophobicContact CZ-CD2 4.12Å; F276-F291 AromaticContact CZ-CE2 3.58Å; F276-F291 HydrophobicContact CZ-CE2 3.58Å; F276-F291 HydrophobicContact CZ-CZ 4.38Å; F276-V294 HydrophobicContact CE2-CG1 4.28Å; F276-R295 HydrophobicContact CE2-CB 4.24Å; F276-F298 HydrophobicContact CB-CD1 4.28Å; F276-F298 HydrophobicContact CB-CE1 3.9Å; F276-F298 HydrophobicContact CB-CE2 4.43Å; F276-F298 HydrophobicContact CB-CZ 3.98Å; F276-F298 HydrophobicContact CD2-CB 4.02Å; F276-F298 AromaticContact CD2-CD1 3.65Å; F276-F298 HydrophobicContact CD2-CD1 3.65Å; F276-F298 HydrophobicContact CD2-CD2 4.32Å; F276-F298 HydrophobicContact CD2-CE1 4.15Å; F276-F298 AromaticContact CD2-CG 3.74Å; F276-F298 HydrophobicContact CD2-CG 3.74Å; F276-F298 HydrophobicContact CE2-CB 4.28Å; F276-F298 HydrophobicContact CE2-CG 4.48Å; F276-F298 HydrophobicContact CG-CD1 4.41Å; F276-F298 HydrophobicContact CG-CE1 4.49Å
277Q93Very high92.4Very high9 Ų935.4 Ų35.44%0.04218%0.177CC..Hα-helixtrans-57.4-51.1174.2173.264.2-7.400111.5M198 D201 Y226 M273 Q274 F279 W280 I281M198-Q277 HydrophobicContact CE-CB 3.89Å; M198-Q277 HydrophobicContact CG-CB 4.22Å; M198-Q277 HydrophobicContact CG-CG 4.04Å; M198-Q277 HydrophobicContact SD-CB 4.12Å; D201-Q277 PolarHBondContact OD2-NE2 3.35Å; D201-Q277 VanDerWaalsContact OD2-NE2 3.16Å; Y226-Q277 VanDerWaalsContact CZ-OE1 3.28Å; Y226-Q277 PolarHBondContact OH-OE1 3.25Å; M273-Q277 PolarHBondContact O-N 3.01Å; Q274-Q277 PolarHBondContact O-N 3.42Å; Q277-F279 VanDerWaalsContact C-N 3.3Å; Q277-F279 PolarHBondContact O-N 3.17Å; Q277-W280 WeakPolarHBondContact O-CB 3.46Å; Q277-W280 PolarHBondContact O-N 2.7Å; Q277-I281 HydrophobicContact CG-CD1 4.11Å; Q277-I281 WeakPolarHBondContact O-CG1 3.2Å; Q277-I281 PolarHBondContact O-N 3.09Å
278R92.4Very high91.8Very high97 Ų9736.8 Ų36.837%0.36619%0.185SC..Hα-helixtrans-58.2-45.1176.2-78.7-177.4-82140.6-7111.5Q274 E275 W280 I281 E282Q274-R278 PolarHBondContact O-N 3.44Å; Q274-R278 VanDerWaalsContact O-N 3.14Å; E275-R278 VanDerWaalsContact CD-CZ 3.46Å; E275-R278 VanDerWaalsContact CD-NH1 3.31Å; E275-R278 IonicContact OE1-CZ 3.09Å; E275-R278 IonicContact OE1-NH1 2.82Å; E275-R278 PolarHBondContact OE1-NH1 3.12Å; E275-R278 IonicContact OE1-NH2 3.88Å; E275-R278 PolarHBondContact OE1-NH2 3.31Å; E275-R278 IonicContact OE2-CZ 3.85Å; E275-R278 IonicContact OE2-NH1 3.44Å; E275-R278 PolarHBondContact OE2-NH1 3.05Å; E275-R278 IonicContact OE2-NH2 2.68Å; R278-W280 VanDerWaalsContact C-N 3.34Å; R278-W280 PolarHBondContact O-N 3.48Å; R278-I281 PolarHBondContact O-N 3.22Å; R278-E282 WeakPolarHBondContact O-CB 3.28Å; R278-E282 VanDerWaalsContact O-CG 3.29Å; R278-E282 WeakPolarHBondContact O-CG 3.4Å; R278-E282 PolarHBondContact O-N 3.05Å
279F94.1Very high91.2Very high9 Ų944.4 Ų44.44%0.03922%0.223CC..Hα-helixtrans-64-38.1178.3-170.1-101.4000113.1E275 F276 Q277 E282 E283 V294 K297 F298 R301E275-F279 WeakPolarHBondContact O-CB 3.39Å; E275-F279 PolarHBondContact O-N 3.32Å; F276-F279 CarbonylContact O-C 3.58Å; F276-F279 PolarHBondContact O-N 3.19Å; Q277-F279 VanDerWaalsContact C-N 3.3Å; Q277-F279 PolarHBondContact O-N 3.17Å; F279-E282 PolarHBondContact O-N 3.34Å; F279-E283 HydrophobicContact CD1-CG 3.94Å; F279-E283 HydrophobicContact CE1-CG 3.52Å; F279-E283 HydrophobicContact CE2-CG 4.21Å; F279-E283 HydrophobicContact CG-CG 4.45Å; F279-E283 HydrophobicContact CZ-CG 3.67Å; F279-E283 WeakPolarHBondContact CZ-OE1 3.42Å; F279-E283 WeakPolarHBondContact O-CB 3.44Å; F279-E283 VanDerWaalsContact O-CG 3.25Å; F279-E283 WeakPolarHBondContact O-CG 3.42Å; F279-E283 PolarHBondContact O-N 3.38Å; F279-V294 HydrophobicContact CD1-CG1 3.92Å; F279-V294 HydrophobicContact CE1-CG1 3.9Å; F279-K297 HydrophobicContact CE1-CB 4.2Å; F279-K297 HydrophobicContact CE1-CD 4.48Å; F279-K297 HydrophobicContact CE1-CG 4.41Å; F279-K297 HydrophobicContact CZ-CB 4.15Å; F279-K297 HydrophobicContact CZ-CD 3.91Å; F279-K297 HydrophobicContact CZ-CG 3.86Å; F279-F298 HydrophobicContact CB-CD2 3.79Å; F279-F298 HydrophobicContact CB-CE2 4.18Å; F279-F298 HydrophobicContact CD1-CB 3.67Å; F279-F298 AromaticContact CD1-CD2 3.86Å; F279-F298 HydrophobicContact CD1-CD2 3.86Å; F279-F298 HydrophobicContact CD1-CG 4.18Å; F279-F298 HydrophobicContact CD2-CD2 4.26Å; F279-F298 HydrophobicContact CE1-CB 3.79Å; F279-F298 HydrophobicContact CG-CB 4.36Å; F279-F298 AromaticContact CG-CD2 3.68Å; F279-F298 HydrophobicContact CG-CD2 3.68Å; F279-F298 HydrophobicContact CG-CE2 4.49Å; F279-F298 HydrophobicContact CG-CG 4.44Å; F279-R301 VanDerWaalsContact CD2-NH1 3.34Å
280W91.4Very high90.8Very high5 Ų546.8 Ų46.82%0.01923%0.233CC..Hα-helixtrans-62.8-46.6177.4-179.2-94.7000111.2I224 G225 Y226 F276 Q277 R278 E283 D284 P285 I288 F291 V294I224-W280 PolarHBondContact O-NE1 2.87Å; G225-W280 WeakPolarHBondContact O-CZ2 3.28Å; Y226-W280 AromaticContact CD1-CD1 3.83Å; Y226-W280 AromaticContact CD1-CD2 3.85Å; Y226-W280 HydrophobicContact CD1-CD2 3.85Å; Y226-W280 AromaticContact CD1-CE2 3.75Å; Y226-W280 AromaticContact CD1-CG 3.93Å; Y226-W280 HydrophobicContact CD1-CG 3.93Å; Y226-W280 HydrophobicContact CD1-CZ2 4.36Å; Y226-W280 AromaticContact CD1-NE1 3.7Å; Y226-W280 HydrophobicContact CE1-CB 4.25Å; Y226-W280 AromaticContact CE1-CD1 3.77Å; Y226-W280 HydrophobicContact CE1-CD2 4.19Å; Y226-W280 AromaticContact CE1-CG 3.8Å; Y226-W280 HydrophobicContact CE1-CG 3.8Å; F276-W280 HydrophobicContact CE1-CE3 4.15Å; F276-W280 AromaticContact CZ-CE3 3.71Å; F276-W280 HydrophobicContact CZ-CE3 3.71Å; F276-W280 HydrophobicContact CZ-CZ3 4.28Å; F276-W280 VanDerWaalsContact O-CB 3.28Å; F276-W280 WeakPolarHBondContact O-CB 3.1Å; F276-W280 PolarHBondContact O-N 2.85Å; Q277-W280 WeakPolarHBondContact O-CB 3.46Å; Q277-W280 PolarHBondContact O-N 2.7Å; R278-W280 VanDerWaalsContact C-N 3.34Å; R278-W280 PolarHBondContact O-N 3.48Å; W280-E283 PolarHBondContact O-N 2.66Å; W280-D284 PolarHBondContact O-N 3.49Å; W280-P285 HydrophobicContact CD2-CG 3.83Å; W280-P285 VanDerWaalsContact CE2-CG 3.41Å; W280-P285 HydrophobicContact CE3-CG 4.08Å; W280-P285 HydrophobicContact CH2-CB 4.21Å; W280-P285 HydrophobicContact CH2-CG 3.57Å; W280-P285 HydrophobicContact CZ2-CB 4.26Å; W280-P285 HydrophobicContact CZ2-CG 3.27Å; W280-P285 HydrophobicContact CZ3-CG 3.95Å; W280-P285 WeakPolarHBondContact O-CD 3.32Å; W280-I288 HydrophobicContact CH2-CD1 4.4Å; W280-F291 HydrophobicContact CH2-CB 4.25Å; W280-F291 HydrophobicContact CH2-CD2 4.24Å; W280-F291 HydrophobicContact CZ3-CB 4.29Å; W280-F291 AromaticContact CZ3-CD2 3.82Å; W280-F291 HydrophobicContact CZ3-CD2 3.82Å; W280-V294 HydrophobicContact CE3-CB 4.08Å; W280-V294 HydrophobicContact CE3-CG1 3.66Å; W280-V294 HydrophobicContact CE3-CG2 4.45Å; W280-V294 HydrophobicContact CZ3-CB 3.85Å; W280-V294 HydrophobicContact CZ3-CG1 3.98Å; W280-V294 HydrophobicContact CZ3-CG2 4.08Å
281I88.7Confident90.5Very high91 Ų9147.4 Ų47.447%0.46724%0.236SC..Hα-helixtrans-63.1-46.1176-64.4166.2000110.5Q277 R278 E283 D284Q277-I281 HydrophobicContact CG-CD1 4.11Å; Q277-I281 WeakPolarHBondContact O-CG1 3.2Å; Q277-I281 PolarHBondContact O-N 3.09Å; R278-I281 PolarHBondContact O-N 3.22Å; I281-E283 VanDerWaalsContact C-N 3.31Å; I281-E283 PolarHBondContact O-N 2.77Å; I281-D284 PolarHBondContact O-N 3.48Å
282E90.8Very high90.3Very high123 Ų12351.8 Ų51.858%0.57526%0.26SS*.Hα-helixtrans-60.1-37.3178.2-76.7171.6-169.800113.1R278 F279 D284 R301R278-E282 WeakPolarHBondContact O-CB 3.28Å; R278-E282 VanDerWaalsContact O-CG 3.29Å; R278-E282 WeakPolarHBondContact O-CG 3.4Å; R278-E282 PolarHBondContact O-N 3.05Å; F279-E282 PolarHBondContact O-N 3.34Å; E282-D284 VanDerWaalsContact C-N 3.31Å; E282-R301 IonicContact OE2-NH1 3.61Å; E282-R301 PolarHBondContact OE2-NH1 2.94Å
283E90.3Very high90.2Very high46 Ų4657.3 Ų57.322%0.21528%0.281CS..Hα-helixtrans-77.5-16.6179.8-72-72.7137.900113.5F279 W280 I281 V294 K297F279-E283 HydrophobicContact CD1-CG 3.94Å; F279-E283 HydrophobicContact CE1-CG 3.52Å; F279-E283 HydrophobicContact CE2-CG 4.21Å; F279-E283 HydrophobicContact CG-CG 4.45Å; F279-E283 HydrophobicContact CZ-CG 3.67Å; F279-E283 WeakPolarHBondContact CZ-OE1 3.42Å; F279-E283 WeakPolarHBondContact O-CB 3.44Å; F279-E283 VanDerWaalsContact O-CG 3.25Å; F279-E283 WeakPolarHBondContact O-CG 3.42Å; F279-E283 PolarHBondContact O-N 3.38Å; W280-E283 PolarHBondContact O-N 2.66Å; I281-E283 VanDerWaalsContact C-N 3.31Å; I281-E283 PolarHBondContact O-N 2.77Å; E283-V294 HydrophobicContact CB-CG1 4.3Å; E283-V294 HydrophobicContact CB-CG2 4.48Å; E283-V294 HydrophobicContact CG-CG1 4.19Å; E283-K297 WeakPolarHBondContact OE1-CE 3.25Å; E283-K297 IonicContact OE1-NZ 3.71Å; E283-K297 PolarHBondContact OE1-NZ 3.07Å; E283-K297 VanDerWaalsContact OE2-CD 3.31Å; E283-K297 WeakPolarHBondContact OE2-CD 3.43Å; E283-K297 IonicContact OE2-NZ 3.75Å; E283-K297 PolarHBondContact OE2-NZ 3.48Å
284D85.9Confident90.1Very high97 Ų9757.3 Ų57.352%0.51928%0.281SS..  trans40.255.2-179.2-169.129.6000113.9K206 W280 I281 E282K206-D284 IonicContact NZ-OD1 2.67Å; K206-D284 PolarHBondContact NZ-OD1 2.72Å; W280-D284 PolarHBondContact O-N 3.49Å; I281-D284 PolarHBondContact O-N 3.48Å; E282-D284 VanDerWaalsContact C-N 3.31Å
285P85.5Confident90.1Very high3 Ų357.1 Ų57.12%0.01928%0.278CS..  trans-63.2146.6-173.825.2-33000111.8K206 W280 D287 E290 V294K206-P285 PolarHBondContact NZ-O 2.76Å; W280-P285 HydrophobicContact CD2-CG 3.83Å; W280-P285 VanDerWaalsContact CE2-CG 3.41Å; W280-P285 HydrophobicContact CE3-CG 4.08Å; W280-P285 HydrophobicContact CH2-CB 4.21Å; W280-P285 HydrophobicContact CH2-CG 3.57Å; W280-P285 HydrophobicContact CZ2-CB 4.26Å; W280-P285 HydrophobicContact CZ2-CG 3.27Å; W280-P285 HydrophobicContact CZ3-CG 3.95Å; W280-P285 WeakPolarHBondContact O-CD 3.32Å; P285-D287 VanDerWaalsContact C-N 3.27Å; P285-D287 PolarHBondContact O-N 3.14Å; P285-E290 VanDerWaalsContact CA-OE2 3.29Å; P285-E290 WeakPolarHBondContact CA-OE2 3.15Å; P285-E290 HydrophobicContact CB-CB 3.89Å; P285-E290 HydrophobicContact CB-CG 4.42Å; P285-E290 WeakPolarHBondContact CB-OE2 3.47Å; P285-V294 HydrophobicContact CB-CG2 3.99Å; P285-V294 HydrophobicContact CG-CG2 4.34Å
286S79.4Confident90.2Very high71 Ų7159 Ų5950%0.49729%0.293SS..SBendtrans-61.1-37.1-174.1-66.60000113K222 E290K222-S286 WeakPolarHBondContact CE-O 3.21Å; S286-E290 PolarHBondContact N-OE2 2.76Å
287D80.6Confident90.3Very high73 Ų7362.7 Ų62.739%0.3931%0.309SS..SBendtrans-162.7-179.6178.159.455.1000111.2P285 M289 E290P285-D287 VanDerWaalsContact C-N 3.27Å; P285-D287 PolarHBondContact O-N 3.14Å; D287-M289 PolarHBondContact O-N 3.01Å; D287-M289 WeakPolarHBondContact OD1-CA 3.49Å; D287-M289 WeakPolarHBondContact OD1-CB 3.48Å; D287-M289 WeakPolarHBondContact OD1-CG 3.49Å; D287-M289 PolarHBondContact OD1-N 3.3Å; D287-E290 PolarHBondContact O-N 2.6Å
288I83.4Confident90.6Very high79 Ų7962.3 Ų62.341%0.40531%0.307SS..G310 helixtrans-63.7-21-179.5-170.257.8000114G225 W280 E290 F291G225-I288 WeakPolarHBondContact O-CD1 3.13Å; W280-I288 HydrophobicContact CH2-CD1 4.4Å; I288-E290 PolarHBondContact O-N 3.09Å; I288-F291 HydrophobicContact CD1-CB 4.09Å; I288-F291 HydrophobicContact CD1-CD2 4.4Å; I288-F291 WeakPolarHBondContact O-CB 3.16Å; I288-F291 PolarHBondContact O-N 3.15Å
289M85.4Confident90.9Very high160 Ų16059.9 Ų59.979%0.78830%0.3SS*.G310 helixtrans-66.2-21.4178.8-55.2-62.7-69.100111.6D287 F291D287-M289 PolarHBondContact O-N 3.01Å; D287-M289 WeakPolarHBondContact OD1-CA 3.49Å; D287-M289 WeakPolarHBondContact OD1-CB 3.48Å; D287-M289 WeakPolarHBondContact OD1-CG 3.49Å; D287-M289 PolarHBondContact OD1-N 3.3Å; M289-F291 PolarHBondContact O-N 3.37Å
290E89.3Confident91.1Very high49 Ų4966 Ų6623%0.22932%0.322CS..G310 helixtrans-77.4-3.6173.9-58-146.294.700113.7P285 S286 D287 I288 N292 R293 V294P285-E290 VanDerWaalsContact CA-OE2 3.29Å; P285-E290 WeakPolarHBondContact CA-OE2 3.15Å; P285-E290 HydrophobicContact CB-CB 3.89Å; P285-E290 HydrophobicContact CB-CG 4.42Å; P285-E290 WeakPolarHBondContact CB-OE2 3.47Å; S286-E290 PolarHBondContact N-OE2 2.76Å; D287-E290 PolarHBondContact O-N 2.6Å; I288-E290 PolarHBondContact O-N 3.09Å; E290-N292 VanDerWaalsContact C-N 3.33Å; E290-N292 PolarHBondContact O-N 2.6Å; E290-R293 WeakPolarHBondContact O-CA 3.25Å; E290-R293 WeakPolarHBondContact O-CB 3.32Å; E290-R293 PolarHBondContact O-N 3.19Å; E290-R293 IonicContact OE1-CZ 3.17Å; E290-R293 IonicContact OE1-NE 2.61Å; E290-R293 PolarHBondContact OE1-NE 3.15Å; E290-R293 IonicContact OE1-NH2 3.88Å; E290-R293 PolarHBondContact OE1-NH2 2.93Å; E290-R293 IonicContact OE2-NH2 3.96Å; E290-R293 PolarHBondContact OE2-NH2 2.96Å; E290-V294 HydrophobicContact CB-CG2 4.4Å; E290-V294 PolarHBondContact O-N 3.01Å
291F91Very high91.4Very high21 Ų2169 Ų699%0.09233%0.334CS..Hα-helixtrans-49.9-50.8-174.2178.4-97.3000113.4V231 N234 F276 W280 I288 M289 R293 V294 R295V231-F291 HydrophobicContact CB-CE2 4.35Å; V231-F291 HydrophobicContact CG1-CE2 4.19Å; V231-F291 HydrophobicContact CG2-CD2 4.18Å; V231-F291 HydrophobicContact CG2-CE2 3.43Å; V231-F291 VanDerWaalsContact CG2-CE2 3.43Å; V231-F291 HydrophobicContact CG2-CZ 3.94Å; N234-F291 HydrophobicContact CB-CE1 4.19Å; N234-F291 HydrophobicContact CB-CZ 4.01Å; N234-F291 VanDerWaalsContact OD1-CE1 3.3Å; N234-F291 WeakPolarHBondContact OD1-CE1 3.4Å; N234-F291 VanDerWaalsContact OD1-CZ 3.3Å; N234-F291 WeakPolarHBondContact OD1-CZ 3.23Å; F276-F291 AromaticContact CE1-CE2 3.77Å; F276-F291 HydrophobicContact CE1-CE2 3.77Å; F276-F291 HydrophobicContact CZ-CD2 4.12Å; F276-F291 AromaticContact CZ-CE2 3.58Å; F276-F291 HydrophobicContact CZ-CE2 3.58Å; F276-F291 HydrophobicContact CZ-CZ 4.38Å; W280-F291 HydrophobicContact CH2-CB 4.25Å; W280-F291 HydrophobicContact CH2-CD2 4.24Å; W280-F291 HydrophobicContact CZ3-CB 4.29Å; W280-F291 AromaticContact CZ3-CD2 3.82Å; W280-F291 HydrophobicContact CZ3-CD2 3.82Å; I288-F291 HydrophobicContact CD1-CB 4.09Å; I288-F291 HydrophobicContact CD1-CD2 4.4Å; I288-F291 WeakPolarHBondContact O-CB 3.16Å; I288-F291 PolarHBondContact O-N 3.15Å; M289-F291 PolarHBondContact O-N 3.37Å; F291-R293 VanDerWaalsContact C-N 3.28Å; F291-R293 PolarHBondContact O-N 3.25Å; F291-V294 PolarHBondContact O-N 3.24Å; F291-R295 HydrophobicContact CE1-CB 4.32Å; F291-R295 HydrophobicContact CE1-CG 4.42Å; F291-R295 HydrophobicContact CZ-CB 4.37Å; F291-R295 HydrophobicContact CZ-CG 4.35Å; F291-R295 WeakPolarHBondContact O-CB 3.32Å; F291-R295 PolarHBondContact O-N 2.95Å
292N93.3Very high91.8Very high105 Ų10564.7 Ų64.756%0.56131%0.311SS*.Hα-helixtrans-63.5-34.3-179-72.3-42.8000112.6E290 S296E290-N292 VanDerWaalsContact C-N 3.33Å; E290-N292 PolarHBondContact O-N 2.6Å; N292-S296 VanDerWaalsContact O-CB 3.23Å; N292-S296 WeakPolarHBondContact O-CB 3.2Å; N292-S296 PolarHBondContact O-N 3.43Å; N292-S296 PolarHBondContact O-OG 2.89Å
293R95.3Very high92.2Very high116 Ų11661.6 Ų61.644%0.43830%0.299SS..Hα-helixtrans-67.4-50.5176.9-176.4-177.870.271.5-2.3110.3E290 F291 S296 K297E290-R293 WeakPolarHBondContact O-CA 3.25Å; E290-R293 WeakPolarHBondContact O-CB 3.32Å; E290-R293 PolarHBondContact O-N 3.19Å; E290-R293 IonicContact OE1-CZ 3.17Å; E290-R293 IonicContact OE1-NE 2.61Å; E290-R293 PolarHBondContact OE1-NE 3.15Å; E290-R293 IonicContact OE1-NH2 3.88Å; E290-R293 PolarHBondContact OE1-NH2 2.93Å; E290-R293 IonicContact OE2-NH2 3.96Å; E290-R293 PolarHBondContact OE2-NH2 2.96Å; F291-R293 VanDerWaalsContact C-N 3.28Å; F291-R293 PolarHBondContact O-N 3.25Å; R293-S296 PolarHBondContact O-N 3.38Å; R293-K297 PolarHBondContact O-N 3.4Å
294V95.6Very high92.6Very high0 Ų066.8 Ų66.80%032%0.316CS..Hα-helixtrans-63.8-49.8-179.8176.40000110.6F276 F279 W280 E283 P285 E290 F291 S296 K297 F298F276-V294 HydrophobicContact CE2-CG1 4.28Å; F279-V294 HydrophobicContact CD1-CG1 3.92Å; F279-V294 HydrophobicContact CE1-CG1 3.9Å; W280-V294 HydrophobicContact CE3-CB 4.08Å; W280-V294 HydrophobicContact CE3-CG1 3.66Å; W280-V294 HydrophobicContact CE3-CG2 4.45Å; W280-V294 HydrophobicContact CZ3-CB 3.85Å; W280-V294 HydrophobicContact CZ3-CG1 3.98Å; W280-V294 HydrophobicContact CZ3-CG2 4.08Å; E283-V294 HydrophobicContact CB-CG1 4.3Å; E283-V294 HydrophobicContact CB-CG2 4.48Å; E283-V294 HydrophobicContact CG-CG1 4.19Å; P285-V294 HydrophobicContact CB-CG2 3.99Å; P285-V294 HydrophobicContact CG-CG2 4.34Å; E290-V294 HydrophobicContact CB-CG2 4.4Å; E290-V294 PolarHBondContact O-N 3.01Å; F291-V294 PolarHBondContact O-N 3.24Å; V294-S296 VanDerWaalsContact C-N 3.3Å; V294-S296 PolarHBondContact O-N 2.94Å; V294-K297 CarbonylContact O-C 3.44Å; V294-K297 WeakPolarHBondContact O-CA 3.34Å; V294-K297 WeakPolarHBondContact O-CB 3.43Å; V294-K297 PolarHBondContact O-N 3.1Å; V294-F298 PolarHBondContact O-N 2.79Å
295R96.1Very high93.1Very high35 Ų3564.6 Ų64.613%0.13230%0.303CS..Hα-helixtrans-56.5-41.8176.1-172.3-134.9178.9-1547.7112.4N234 D237 L238 F276 F291 K297 F298 H299N234-R295 PolarHBondContact O-NH2 3.46Å; N234-R295 WeakPolarHBondContact OD1-CD 3.01Å; N234-R295 PolarHBondContact OD1-NE 2.82Å; D237-R295 IonicContact OD2-CZ 2.58Å; D237-R295 IonicContact OD2-NH1 2.85Å; D237-R295 IonicContact OD2-NH2 3.19Å; D237-R295 PolarHBondContact OD2-NH2 3.4Å; L238-R295 HydrophobicContact CD1-CG 4.28Å; F276-R295 HydrophobicContact CE2-CB 4.24Å; F291-R295 HydrophobicContact CE1-CB 4.32Å; F291-R295 HydrophobicContact CE1-CG 4.42Å; F291-R295 HydrophobicContact CZ-CB 4.37Å; F291-R295 HydrophobicContact CZ-CG 4.35Å; F291-R295 WeakPolarHBondContact O-CB 3.32Å; F291-R295 PolarHBondContact O-N 2.95Å; R295-K297 VanDerWaalsContact C-N 3.33Å; R295-K297 PolarHBondContact O-N 3.06Å; R295-F298 WeakPolarHBondContact O-CB 3.29Å; R295-F298 PolarHBondContact O-N 3.39Å; R295-H299 WeakPolarHBondContact O-CB 3.1Å; R295-H299 PolarHBondContact O-N 3.23Å
296S97.3Very high93.7Very high50 Ų5064.8 Ų64.835%0.3530%0.304SS..Hα-helixtrans-65-36.6175.3-64.20000112.6N292 R293 V294 R300N292-S296 VanDerWaalsContact O-CB 3.23Å; N292-S296 WeakPolarHBondContact O-CB 3.2Å; N292-S296 PolarHBondContact O-N 3.43Å; N292-S296 PolarHBondContact O-OG 2.89Å; R293-S296 PolarHBondContact O-N 3.38Å; V294-S296 VanDerWaalsContact C-N 3.3Å; V294-S296 PolarHBondContact O-N 2.94Å; S296-R300 WeakPolarHBondContact O-CG 3.45Å; S296-R300 PolarHBondContact O-N 3.31Å; S296-R300 VanDerWaalsContact O-N 3.17Å; S296-R300 PolarHBondContact O-NH1 2.9Å
297K98.1Very high94.5Very high78 Ų7869.4 Ų69.434%0.33932%0.315SS..Hα-helixtrans-67.7-42174.9-166.8-178.9175.3-175.90111.1F279 E283 R293 V294 R295 R300 R301F279-K297 HydrophobicContact CE1-CB 4.2Å; F279-K297 HydrophobicContact CE1-CD 4.48Å; F279-K297 HydrophobicContact CE1-CG 4.41Å; F279-K297 HydrophobicContact CZ-CB 4.15Å; F279-K297 HydrophobicContact CZ-CD 3.91Å; F279-K297 HydrophobicContact CZ-CG 3.86Å; E283-K297 WeakPolarHBondContact OE1-CE 3.25Å; E283-K297 IonicContact OE1-NZ 3.71Å; E283-K297 PolarHBondContact OE1-NZ 3.07Å; E283-K297 VanDerWaalsContact OE2-CD 3.31Å; E283-K297 WeakPolarHBondContact OE2-CD 3.43Å; E283-K297 IonicContact OE2-NZ 3.75Å; E283-K297 PolarHBondContact OE2-NZ 3.48Å; R293-K297 PolarHBondContact O-N 3.4Å; V294-K297 CarbonylContact O-C 3.44Å; V294-K297 WeakPolarHBondContact O-CA 3.34Å; V294-K297 WeakPolarHBondContact O-CB 3.43Å; V294-K297 PolarHBondContact O-N 3.1Å; R295-K297 VanDerWaalsContact C-N 3.33Å; R295-K297 PolarHBondContact O-N 3.06Å; K297-R300 PolarHBondContact O-N 3.37Å; K297-R301 PolarHBondContact O-N 3.4Å
298F98.3Very high95.2Very high0 Ų069.8 Ų69.80%032%0.317CS..Hα-helixtrans-60.2-49.5173.9-178.4-112.7000111.8L238 L272 E275 F276 F279 V294 R295 R300 R301 I302L238-F298 HydrophobicContact CD1-CD1 3.83Å; L238-F298 HydrophobicContact CD1-CE1 4.29Å; L272-F298 HydrophobicContact CD2-CE1 4.04Å; L272-F298 HydrophobicContact CD2-CZ 4.14Å; E275-F298 HydrophobicContact CB-CE2 3.87Å; E275-F298 HydrophobicContact CB-CZ 3.78Å; F276-F298 HydrophobicContact CB-CD1 4.28Å; F276-F298 HydrophobicContact CB-CE1 3.9Å; F276-F298 HydrophobicContact CB-CE2 4.43Å; F276-F298 HydrophobicContact CB-CZ 3.98Å; F276-F298 HydrophobicContact CD2-CB 4.02Å; F276-F298 AromaticContact CD2-CD1 3.65Å; F276-F298 HydrophobicContact CD2-CD1 3.65Å; F276-F298 HydrophobicContact CD2-CD2 4.32Å; F276-F298 HydrophobicContact CD2-CE1 4.15Å; F276-F298 AromaticContact CD2-CG 3.74Å; F276-F298 HydrophobicContact CD2-CG 3.74Å; F276-F298 HydrophobicContact CE2-CB 4.28Å; F276-F298 HydrophobicContact CE2-CG 4.48Å; F276-F298 HydrophobicContact CG-CD1 4.41Å; F276-F298 HydrophobicContact CG-CE1 4.49Å; F279-F298 HydrophobicContact CB-CD2 3.79Å; F279-F298 HydrophobicContact CB-CE2 4.18Å; F279-F298 HydrophobicContact CD1-CB 3.67Å; F279-F298 AromaticContact CD1-CD2 3.86Å; F279-F298 HydrophobicContact CD1-CD2 3.86Å; F279-F298 HydrophobicContact CD1-CG 4.18Å; F279-F298 HydrophobicContact CD2-CD2 4.26Å; F279-F298 HydrophobicContact CE1-CB 3.79Å; F279-F298 HydrophobicContact CG-CB 4.36Å; F279-F298 AromaticContact CG-CD2 3.68Å; F279-F298 HydrophobicContact CG-CD2 3.68Å; F279-F298 HydrophobicContact CG-CE2 4.49Å; F279-F298 HydrophobicContact CG-CG 4.44Å; V294-F298 PolarHBondContact O-N 2.79Å; R295-F298 WeakPolarHBondContact O-CB 3.29Å; R295-F298 PolarHBondContact O-N 3.39Å; F298-R300 VanDerWaalsContact C-N 3.28Å; F298-R300 PolarHBondContact O-N 3.16Å; F298-R301 WeakPolarHBondContact O-CA 3.31Å; F298-R301 VanDerWaalsContact O-CB 3.29Å; F298-R301 WeakPolarHBondContact O-CB 3.35Å; F298-R301 PolarHBondContact O-N 3.14Å; F298-I302 HydrophobicContact CD1-CG1 4.31Å; F298-I302 HydrophobicContact CD2-CG1 4.47Å; F298-I302 HydrophobicContact CE1-CD1 4.38Å; F298-I302 HydrophobicContact CE1-CG1 3.91Å; F298-I302 HydrophobicContact CE2-CD1 3.91Å; F298-I302 HydrophobicContact CE2-CG1 4.08Å; F298-I302 HydrophobicContact CZ-CD1 3.76Å; F298-I302 HydrophobicContact CZ-CG1 3.79Å; F298-I302 PolarHBondContact O-N 3.17Å
299H98.4Very high95.6Very high47 Ų4767.7 Ų67.722%0.21831%0.308CS..Hα-helixtrans-54.8-44.2176-176.4-168.7000111.7L238 R295 R301 I302 L303L238-H299 HydrophobicContact CD1-CB 3.97Å; L238-H299 HydrophobicContact CG-CB 4.43Å; R295-H299 WeakPolarHBondContact O-CB 3.1Å; R295-H299 PolarHBondContact O-N 3.23Å; H299-R301 VanDerWaalsContact C-N 3.32Å; H299-R301 PolarHBondContact O-N 3.35Å; H299-I302 PolarHBondContact O-N 2.68Å; H299-L303 WeakPolarHBondContact O-CB 3.23Å; H299-L303 WeakPolarHBondContact O-CG 3.39Å; H299-L303 PolarHBondContact O-N 2.94Å
300R98.4Very high95.9Very high137 Ų13765 Ų6552%0.51730%0.297SS..Hα-helixtrans-64.8-30.5174.2-71.5-173.5-64.2-91.12.5113.5S296 K297 F298 R304S296-R300 WeakPolarHBondContact O-CG 3.45Å; S296-R300 PolarHBondContact O-N 3.31Å; S296-R300 VanDerWaalsContact O-N 3.17Å; S296-R300 PolarHBondContact O-NH1 2.9Å; K297-R300 PolarHBondContact O-N 3.37Å; F298-R300 VanDerWaalsContact C-N 3.28Å; F298-R300 PolarHBondContact O-N 3.16Å; R300-R304 WeakPolarHBondContact O-CB 3.47Å; R300-R304 VanDerWaalsContact O-CG 3.28Å; R300-R304 WeakPolarHBondContact O-CG 3.29Å; R300-R304 PolarHBondContact O-N 2.85Å; R300-R304 PolarHBondContact O-NE 3.36Å
301R97.9Very high96.1Very high68 Ų6864.5 Ų64.526%0.25730%0.295SS..Hα-helixtrans-67.2-49.4173.6176.3176.1167.8164.8-9110.1F279 E282 K297 F298 H299 L303 R304 Q305F279-R301 VanDerWaalsContact CD2-NH1 3.34Å; E282-R301 IonicContact OE2-NH1 3.61Å; E282-R301 PolarHBondContact OE2-NH1 2.94Å; K297-R301 PolarHBondContact O-N 3.4Å; F298-R301 WeakPolarHBondContact O-CA 3.31Å; F298-R301 VanDerWaalsContact O-CB 3.29Å; F298-R301 WeakPolarHBondContact O-CB 3.35Å; F298-R301 PolarHBondContact O-N 3.14Å; H299-R301 VanDerWaalsContact C-N 3.32Å; H299-R301 PolarHBondContact O-N 3.35Å; R301-L303 PolarHBondContact O-N 3.42Å; R301-R304 WeakPolarHBondContact O-CB 3.29Å; R301-R304 PolarHBondContact O-N 2.96Å; R301-R304 VanDerWaalsContact O-N 3.14Å; R301-Q305 PolarHBondContact O-N 3.34Å; R301-Q305 VanDerWaalsContact O-N 3.08Å
302I98.3Very high96.2Very high0 Ų065.1 Ų65.10%031%0.305CS..Hα-helixtrans-61.9-46178.1-59-57000111.7L242 Y271 L272 F298 H299 R304 Q305 L306 L313L242-I302 HydrophobicContact CD1-CG2 3.63Å; L242-I302 HydrophobicContact CD2-CG2 4.36Å; Y271-I302 HydrophobicContact CE1-CD1 4.43Å; L272-I302 HydrophobicContact CD2-CD1 4.01Å; L272-I302 HydrophobicContact CD2-CG1 3.89Å; L272-I302 HydrophobicContact CD2-CG2 4.18Å; F298-I302 HydrophobicContact CD1-CG1 4.31Å; F298-I302 HydrophobicContact CD2-CG1 4.47Å; F298-I302 HydrophobicContact CE1-CD1 4.38Å; F298-I302 HydrophobicContact CE1-CG1 3.91Å; F298-I302 HydrophobicContact CE2-CD1 3.91Å; F298-I302 HydrophobicContact CE2-CG1 4.08Å; F298-I302 HydrophobicContact CZ-CD1 3.76Å; F298-I302 HydrophobicContact CZ-CG1 3.79Å; F298-I302 PolarHBondContact O-N 3.17Å; H299-I302 PolarHBondContact O-N 2.68Å; I302-R304 PolarHBondContact O-N 2.88Å; I302-Q305 WeakPolarHBondContact O-CB 3.29Å; I302-Q305 PolarHBondContact O-N 2.85Å; I302-Q305 VanDerWaalsContact O-N 3.12Å; I302-L306 HydrophobicContact CG2-CD1 3.84Å; I302-L306 HydrophobicContact CG2-CG 4.38Å; I302-L306 WeakPolarHBondContact O-CG 3.28Å; I302-L306 PolarHBondContact O-N 2.85Å; I302-L313 HydrophobicContact CG2-CD1 4.23Å
303L98.3Very high96.2Very high59 Ų5960.2 Ų60.231%0.30928%0.278SS..Hα-helixtrans-58.6-35.5175.5-78.1174.3000112.9L242 A247 H299 R301 K307L242-L303 HydrophobicContact CD2-CD2 3.54Å; L242-L303 HydrophobicContact CD2-CG 3.92Å; A247-L303 HydrophobicContact CB-CD2 3.66Å; H299-L303 WeakPolarHBondContact O-CB 3.23Å; H299-L303 WeakPolarHBondContact O-CG 3.39Å; H299-L303 PolarHBondContact O-N 2.94Å; R301-L303 PolarHBondContact O-N 3.42Å; L303-K307 WeakPolarHBondContact O-CG 3.44Å; L303-K307 PolarHBondContact O-N 3Å
304R97.9Very high95.5Very high155 Ų15557.5 Ų57.559%0.58528%0.276SS*.Hα-helixtrans-68.9-41.4176.3-80.2178.5-72.3152.3-4111.7R300 R301 I302 K307R300-R304 WeakPolarHBondContact O-CB 3.47Å; R300-R304 VanDerWaalsContact O-CG 3.28Å; R300-R304 WeakPolarHBondContact O-CG 3.29Å; R300-R304 PolarHBondContact O-N 2.85Å; R300-R304 PolarHBondContact O-NE 3.36Å; R301-R304 WeakPolarHBondContact O-CB 3.29Å; R301-R304 PolarHBondContact O-N 2.96Å; R301-R304 VanDerWaalsContact O-N 3.14Å; I302-R304 PolarHBondContact O-N 2.88Å; R304-K307 WeakPolarHBondContact O-CB 3.35Å; R304-K307 PolarHBondContact O-N 3.36Å
305Q97.1Very high93.9Very high51 Ų5158.1 Ų58.124%0.23828%0.281CS..Hα-helixtrans-61.3-45.8175.7-68.8173.3-900111.2R301 I302 K307 N308 M311R301-Q305 PolarHBondContact O-N 3.34Å; R301-Q305 VanDerWaalsContact O-N 3.08Å; I302-Q305 WeakPolarHBondContact O-CB 3.29Å; I302-Q305 PolarHBondContact O-N 2.85Å; I302-Q305 VanDerWaalsContact O-N 3.12Å; Q305-K307 PolarHBondContact O-N 3.24Å; Q305-N308 WeakPolarHBondContact O-CB 3.38Å; Q305-N308 PolarHBondContact O-N 3.49Å; Q305-M311 HydrophobicContact CB-CE 4.38Å; Q305-M311 HydrophobicContact CB-CG 4.25Å; Q305-M311 HydrophobicContact CB-SD 4.15Å; Q305-M311 WeakPolarHBondContact O-CB 3.41Å
306L97.4Very high91.7Very high7 Ų764.1 Ų64.14%0.03731%0.31CS..THydrogen-bonded Turntrans-67-6.6-179.8-69.7169.9000114.9L242 A247 L248 T250 H251 I302 N308 M311 L313L242-L306 HydrophobicContact CD2-CD1 4.21Å; A247-L306 HydrophobicContact CB-CD1 3.99Å; L248-L306 HydrophobicContact CD2-CD1 4.16Å; T250-L306 WeakPolarHBondContact CB-O 3.28Å; T250-L306 WeakPolarHBondContact CG2-O 3.48Å; T250-L306 PolarHBondContact OG1-O 3.44Å; H251-L306 HydrophobicContact CB-CD2 3.97Å; I302-L306 HydrophobicContact CG2-CD1 3.84Å; I302-L306 HydrophobicContact CG2-CG 4.38Å; I302-L306 WeakPolarHBondContact O-CG 3.28Å; I302-L306 PolarHBondContact O-N 2.85Å; L306-N308 VanDerWaalsContact C-N 3.33Å; L306-M311 HydrophobicContact CD2-CG 4.42Å; L306-L313 HydrophobicContact CD1-CD1 4.34Å; L306-L313 HydrophobicContact CD2-CD1 4.04Å; L306-L313 HydrophobicContact CD2-CD2 4.18Å; L306-L313 HydrophobicContact CD2-CG 4Å; L306-L313 HydrophobicContact CG-CD1 4.46Å
307K96.6Very high89.1Confident167 Ų16765.5 Ų65.573%0.72631%0.309SS*.THydrogen-bonded Turntrans-74.7-23.4169.2-70.7176.8-177.9-176.30112.6L303 R304 Q305 P309L303-K307 WeakPolarHBondContact O-CG 3.44Å; L303-K307 PolarHBondContact O-N 3Å; R304-K307 WeakPolarHBondContact O-CB 3.35Å; R304-K307 PolarHBondContact O-N 3.36Å; Q305-K307 PolarHBondContact O-N 3.24Å; K307-P309 WeakPolarHBondContact O-CD 3.49Å
308N95.2Very high86.1Confident82 Ų8264.9 Ų64.944%0.43932%0.315SS..SBendtrans-73.8116.6172.1178.43.3000108.4T250 Q305 L306 D310 M311T250-N308 WeakPolarHBondContact CG2-O 3.38Å; Q305-N308 WeakPolarHBondContact O-CB 3.38Å; Q305-N308 PolarHBondContact O-N 3.49Å; L306-N308 VanDerWaalsContact C-N 3.33Å; N308-D310 PolarHBondContact O-N 2.79Å; N308-D310 PolarHBondContact OD1-N 3.14Å; N308-D310 VanDerWaalsContact OD1-N 3.13Å; N308-M311 HydrophobicContact CB-CB 4.29Å; N308-M311 WeakPolarHBondContact O-CB 3.32Å; N308-M311 PolarHBondContact O-N 3.01Å
309P92.9Very high83.1Confident34 Ų3468.8 Ų68.822%0.22135%0.348CS..THydrogen-bonded Turntrans-62.5-17.2-176.727.1-37000114R49 N254 K307R49-P309 HydrophobicContact CB-CB 4.16Å; N254-P309 PolarHBondContact ND2-O 2.89Å; K307-P309 WeakPolarHBondContact O-CD 3.49Å
310D91.6Very high80.2Confident104 Ų10470.7 Ų70.756%0.55637%0.366SS*.THydrogen-bonded Turntrans-96.16.4179.7-52.1-50.6000111.8R49 N308R49-D310 IonicContact NH2-OD2 2.77Å; N308-D310 PolarHBondContact O-N 2.79Å; N308-D310 PolarHBondContact OD1-N 3.14Å; N308-D310 VanDerWaalsContact OD1-N 3.13Å
311M93.8Very high77.4Confident38 Ų3867.1 Ų67.119%0.18736%0.357CS..  trans-71136.9-179.2-171.863.9-155.500112.2T250 N254 Q305 L306 N308 L313T250-M311 HydrophobicContact CG2-CB 4.09Å; N254-M311 PolarHBondContact ND2-O 2.67Å; Q305-M311 HydrophobicContact CB-CE 4.38Å; Q305-M311 HydrophobicContact CB-CG 4.25Å; Q305-M311 HydrophobicContact CB-SD 4.15Å; Q305-M311 WeakPolarHBondContact O-CB 3.41Å; L306-M311 HydrophobicContact CD2-CG 4.42Å; N308-M311 HydrophobicContact CB-CB 4.29Å; N308-M311 WeakPolarHBondContact O-CB 3.32Å; N308-M311 PolarHBondContact O-N 3.01Å; M311-L313 HydrophobicContact CE-CD2 3.73Å; M311-L313 HydrophobicContact CG-CD2 4.34Å
312A93.4Very high74.6Confident35 Ų3568.9 Ų68.929%0.28937%0.371SS..  trans-133.9124.8166.600000110V255 C314V255-A312 HydrophobicContact CG1-CB 3.75Å; A312-C314 VanDerWaalsContact C-N 3.25Å; A312-C314 PolarHBondContact O-N 2.71Å
313L92.9Very high71.7Confident2 Ų276.2 Ų76.21%0.0141%0.405CS..  trans-79.969177-56.3-176.5000110.1L248 H251 I268 Y271 I302 L306 M311L248-L313 HydrophobicContact CD2-CD1 3.96Å; H251-L313 HydrophobicContact CB-CG 4.25Å; H251-L313 PolarHBondContact CE1-O 3.41Å; H251-L313 PolarHBondContact ND1-N 3.13Å; I268-L313 HydrophobicContact CG2-CD1 4.4Å; Y271-L313 HydrophobicContact CD1-CB 3.67Å; Y271-L313 HydrophobicContact CD1-CD1 4.46Å; Y271-L313 HydrophobicContact CD1-CD2 4.44Å; Y271-L313 HydrophobicContact CD1-CG 4.39Å; Y271-L313 HydrophobicContact CE1-CB 3.73Å; Y271-L313 HydrophobicContact CE1-CD1 4.44Å; Y271-L313 HydrophobicContact CE1-CD2 3.7Å; Y271-L313 HydrophobicContact CE1-CG 4.13Å; Y271-L313 HydrophobicContact CG-CB 4.17Å; I302-L313 HydrophobicContact CG2-CD1 4.23Å; L306-L313 HydrophobicContact CD1-CD1 4.34Å; L306-L313 HydrophobicContact CD2-CD1 4.04Å; L306-L313 HydrophobicContact CD2-CD2 4.18Å; L306-L313 HydrophobicContact CD2-CG 4Å; L306-L313 HydrophobicContact CG-CD1 4.46Å; M311-L313 HydrophobicContact CE-CD2 3.73Å; M311-L313 HydrophobicContact CG-CD2 4.34Å
314C80.1Confident68.8Low58 Ų5880.1 Ų80.139%0.39243%0.426SS..  trans-95.2133.8179.1-59.80000110.2Y271 A312Y271-C314 VanDerWaalsContact CD2-O 3.27Å; Y271-C314 WeakPolarHBondContact CD2-O 3.35Å; Y271-C314 VanDerWaalsContact CE2-O 3.25Å; Y271-C314 WeakPolarHBondContact CE2-O 3.34Å; A312-C314 VanDerWaalsContact C-N 3.25Å; A312-C314 PolarHBondContact O-N 2.71Å
315P61.8Low65.9Low14 Ų1476.3 Ų76.39%0.09142%0.419CS..  trans-50.9149.6162-24.233.2000110.1F317P315-F317 HydrophobicContact CB-CD1 4.24Å; P315-F317 HydrophobicContact CB-CD2 3.97Å; P315-F317 HydrophobicContact CB-CE1 4.01Å; P315-F317 HydrophobicContact CB-CE2 3.77Å; P315-F317 HydrophobicContact CB-CG 4.22Å; P315-F317 HydrophobicContact CB-CZ 3.78Å; P315-F317 VanDerWaalsContact CD-CE2 3.44Å; P315-F317 HydrophobicContact CG-CD2 4.29Å; P315-F317 HydrophobicContact CG-CE1 4.11Å; P315-F317 HydrophobicContact CG-CE2 3.58Å; P315-F317 HydrophobicContact CG-CZ 3.46Å; P315-F317 VanDerWaalsContact CG-CZ 3.46Å; P315-F317 PolarHBondContact O-N 3.4Å
316H50.5Low62.6Low160 Ų16080.3 Ų80.374%0.74144%0.442SS*.  trans-71.374.2164.1-70.760.7000106.9S318H316-S318 PolarHBondContact O-N 2.73Å
317F42.8Very low59.4Low79 Ų7991.1 Ų91.135%0.34650%0.499SS..  trans-60.5136.2170-70.4-65.7000107.7P315 A319 D321P315-F317 HydrophobicContact CB-CD1 4.24Å; P315-F317 HydrophobicContact CB-CD2 3.97Å; P315-F317 HydrophobicContact CB-CE1 4.01Å; P315-F317 HydrophobicContact CB-CE2 3.77Å; P315-F317 HydrophobicContact CB-CG 4.22Å; P315-F317 HydrophobicContact CB-CZ 3.78Å; P315-F317 VanDerWaalsContact CD-CE2 3.44Å; P315-F317 HydrophobicContact CG-CD2 4.29Å; P315-F317 HydrophobicContact CG-CE1 4.11Å; P315-F317 HydrophobicContact CG-CE2 3.58Å; P315-F317 HydrophobicContact CG-CZ 3.46Å; P315-F317 VanDerWaalsContact CG-CZ 3.46Å; P315-F317 PolarHBondContact O-N 3.4Å; F317-A319 PolarHBondContact O-N 3.22Å; F317-D321 HydrophobicContact CB-CB 4.07Å; F317-D321 HydrophobicContact CD1-CB 4.12Å; F317-D321 HydrophobicContact CG-CB 4.3Å
318S34.8Very low57.5Low65 Ų6587.4 Ų87.446%0.45549%0.488SS..  trans-53.2145.3165.480.60000107.6H316 S320 D321H316-S318 PolarHBondContact O-N 2.73Å; S318-S320 PolarHBondContact O-N 2.77Å; S318-S320 WeakPolarHBondContact OG-CB 3.33Å; S318-S320 PolarHBondContact OG-OG 2.78Å; S318-D321 PolarHBondContact O-N 2.96Å; S318-D321 PolarHBondContact OG-OD2 3.44Å; S318-D321 VanDerWaalsContact OG-OD2 3.09Å
319A34.5Very low55.5Low83 Ų8387.6 Ų87.669%0.68649%0.49SS*.THydrogen-bonded Turntrans-53.9-16.6-175.200000113.8F317F317-A319 PolarHBondContact O-N 3.22Å
320S37.7Very low53.4Low86 Ų8690.6 Ų90.660%0.60151%0.505SS*.THydrogen-bonded Turntrans-61.2-34.5173-24.70000114.5S318S318-S320 PolarHBondContact O-N 2.77Å; S318-S320 WeakPolarHBondContact OG-CB 3.33Å; S318-S320 PolarHBondContact OG-OG 2.78Å
321D40.9Very low51.2Low63 Ų6389.8 Ų89.834%0.33750%0.502SS..G310 helixtrans-96-2.6-170.6-46.2-58000113.3F317 S318 H323 L324F317-D321 HydrophobicContact CB-CB 4.07Å; F317-D321 HydrophobicContact CD1-CB 4.12Å; F317-D321 HydrophobicContact CG-CB 4.3Å; S318-D321 PolarHBondContact O-N 2.96Å; S318-D321 PolarHBondContact OG-OD2 3.44Å; S318-D321 VanDerWaalsContact OG-OD2 3.09Å; D321-H323 PolarHBondContact O-N 3.09Å; D321-H323 VanDerWaalsContact O-N 3.15Å; D321-L324 PolarHBondContact O-N 3.18Å
322L37.3Very low48.5Very low105 Ų10593.1 Ų93.155%0.5552%0.522SS..G310 helixtrans-61.5-18.5172.5-87.8155.8000113L324L322-L324 VanDerWaalsContact C-N 3.27Å; L322-L324 PolarHBondContact O-N 2.78Å
323H38.6Very low45.5Very low153 Ų15396.9 Ų96.971%0.70854%0.537SS*.G310 helixtrans-73.6-15.1173.3-71.5-67.4000113.8D321D321-H323 PolarHBondContact O-N 3.09Å; D321-H323 VanDerWaalsContact O-N 3.15Å
324L38.1Very low42.2Very low142 Ų142103.7 Ų103.774%0.74358%0.575SS**G310 helixtrans-91.8-9.8177.1-71.7164.3000113.5D321 L322D321-L324 PolarHBondContact O-N 3.18Å; L322-L324 VanDerWaalsContact C-N 3.27Å; L322-L324 PolarHBondContact O-N 2.78Å
325V37Very low39.2Very low74 Ų74107.2 Ų107.245%0.44859%0.589SS.*SBendtrans-93.4-9.9176.3-175.70000111.6
326N27.7Very low37.4Very low135 Ų135115 Ų11572%0.72263%0.631SS**  trans-121.167.6174.1-72.6-42000110.7
327L28.5Very low36.2Very low235 Ų235110.9 Ų110.9100%1.2362%0.621SS**  trans-146.90152.2-89.2177.3000109.7

Retrieved 327 of 327 residues in 770.2 ms (Link to these results)

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