A0A5K4FE60_SCHMA Loading...

Mitochondrial uncoupling protein 4

AlphaFold DB , UniProt , Accession A0A5K4FE60, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 369 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
1M53.6Low69.1Low179 Ų179101.2 Ų101.288%0.88253%0.529SS*.  0-54.40-152.3174.2-162.900112S4 Q5M1-S4 WeakPolarHBondContact CA-OG 3.33Å; M1-S4 PolarHBondContact O-N 3.07Å; M1-S4 PolarHBondContact O-OG 3.09Å; M1-Q5 WeakPolarHBondContact O-CG 3.19Å; M1-Q5 PolarHBondContact O-N 2.79Å; M1-Q5 VanDerWaalsContact O-N 3.12Å
2F70.1Confident68.7Low161 Ų16199.5 Ų99.571%0.70653%0.526SS*.Hα-helixtrans-62.4-44.4175.4-174.5-103000112.9S4 Q5 L6F2-S4 VanDerWaalsContact C-N 3.34Å; F2-S4 PolarHBondContact O-N 3.26Å; F2-Q5 PolarHBondContact O-N 3.43Å; F2-L6 HydrophobicContact CE1-CD2 4.48Å; F2-L6 VanDerWaalsContact O-CB 3.27Å; F2-L6 WeakPolarHBondContact O-CB 3.31Å; F2-L6 PolarHBondContact O-N 2.87Å
3T68.7Low67.9Low108 Ų10894.4 Ų94.466%0.66351%0.507SS*.Hα-helixtrans-62.7-37.2178.450.20000113.2K7T3-K7 VanDerWaalsContact O-CB 3.29Å; T3-K7 WeakPolarHBondContact O-CB 3.38Å; T3-K7 PolarHBondContact O-N 3.33Å
4S72.1Confident67.5Low69 Ų6994.1 Ų94.148%0.48350%0.499SS..Hα-helixtrans-72.9-41.3178.553.10000112.2M1 F2 K7 S8M1-S4 WeakPolarHBondContact CA-OG 3.33Å; M1-S4 PolarHBondContact O-N 3.07Å; M1-S4 PolarHBondContact O-OG 3.09Å; F2-S4 VanDerWaalsContact C-N 3.34Å; F2-S4 PolarHBondContact O-N 3.26Å; S4-K7 PolarHBondContact O-N 2.81Å; S4-S8 PolarHBondContact O-N 2.62Å; S4-S8 PolarHBondContact O-OG 3.26Å
5Q74.4Confident66.8Low109 Ų10999.9 Ų99.951%0.50952%0.518SS..Hα-helixtrans-65.5-41174.3-74178.6-33.300111.9M1 F2 K7 S8 L9M1-Q5 WeakPolarHBondContact O-CG 3.19Å; M1-Q5 PolarHBondContact O-N 2.79Å; M1-Q5 VanDerWaalsContact O-N 3.12Å; F2-Q5 PolarHBondContact O-N 3.43Å; Q5-K7 VanDerWaalsContact C-N 3.33Å; Q5-S8 WeakPolarHBondContact CA-OG 3.18Å; Q5-S8 PolarHBondContact O-N 2.81Å; Q5-S8 PolarHBondContact O-OG 3.41Å; Q5-L9 WeakPolarHBondContact O-CB 3.34Å; Q5-L9 WeakPolarHBondContact O-CG 3.34Å; Q5-L9 PolarHBondContact O-N 2.89Å
6L72.2Confident66.4Low85 Ų8599.3 Ų99.345%0.44552%0.516SS..Hα-helixtrans-61.3-45.5174.2-174.868.7000110.4F2 S8 L9 V10F2-L6 HydrophobicContact CE1-CD2 4.48Å; F2-L6 VanDerWaalsContact O-CB 3.27Å; F2-L6 WeakPolarHBondContact O-CB 3.31Å; F2-L6 PolarHBondContact O-N 2.87Å; L6-S8 PolarHBondContact O-N 2.94Å; L6-L9 PolarHBondContact O-N 2.91Å; L6-V10 HydrophobicContact CG-CG2 4.48Å; L6-V10 WeakPolarHBondContact O-CB 3.48Å; L6-V10 VanDerWaalsContact O-CG2 3.23Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3Å
7K71.7Confident66.3Low123 Ų123102.6 Ų102.654%0.53552%0.522SS..Hα-helixtrans-60.7-45.9178.1-166.9174.1-178.4-177.10111.8T3 S4 Q5 L9 V10 D11T3-K7 VanDerWaalsContact O-CB 3.29Å; T3-K7 WeakPolarHBondContact O-CB 3.38Å; T3-K7 PolarHBondContact O-N 3.33Å; S4-K7 PolarHBondContact O-N 2.81Å; Q5-K7 VanDerWaalsContact C-N 3.33Å; K7-L9 PolarHBondContact O-N 2.9Å; K7-V10 PolarHBondContact O-N 2.88Å; K7-D11 WeakPolarHBondContact O-CB 3.43Å; K7-D11 VanDerWaalsContact O-CG 3.26Å; K7-D11 PolarHBondContact O-N 3.1Å
8S71.3Confident66.5Low62 Ų62100.7 Ų100.743%0.43452%0.517SS..Hα-helixtrans-63.4-40.1176.5590000113.1S4 Q5 L6 V10 D11 T12S4-S8 PolarHBondContact O-N 2.62Å; S4-S8 PolarHBondContact O-OG 3.26Å; Q5-S8 WeakPolarHBondContact CA-OG 3.18Å; Q5-S8 PolarHBondContact O-N 2.81Å; Q5-S8 PolarHBondContact O-OG 3.41Å; L6-S8 PolarHBondContact O-N 2.94Å; S8-V10 VanDerWaalsContact C-N 3.33Å; S8-V10 PolarHBondContact O-N 3.4Å; S8-D11 PolarHBondContact O-N 2.85Å; S8-T12 PolarHBondContact O-N 3.2Å; S8-T12 PolarHBondContact O-OG1 3.2Å; S8-T12 VanDerWaalsContact O-OG1 3.04Å
9L69.1Low66.7Low120 Ų120100.1 Ų100.163%0.62852%0.523SS*.Hα-helixtrans-64.3-39.7176-76.7169.9000111.7Q5 L6 K7 A13Q5-L9 WeakPolarHBondContact O-CB 3.34Å; Q5-L9 WeakPolarHBondContact O-CG 3.34Å; Q5-L9 PolarHBondContact O-N 2.89Å; L6-L9 PolarHBondContact O-N 2.91Å; K7-L9 PolarHBondContact O-N 2.9Å; L9-A13 WeakPolarHBondContact O-CB 3.34Å; L9-A13 PolarHBondContact O-N 3.16Å
10V68.4Low67.3Low24 Ų2499 Ų9915%0.14552%0.52CS..Hα-helixtrans-69.1-40.4177.3174.70000111.3L6 K7 S8 A13 K14 L21 A364L6-V10 HydrophobicContact CG-CG2 4.48Å; L6-V10 WeakPolarHBondContact O-CB 3.48Å; L6-V10 VanDerWaalsContact O-CG2 3.23Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3Å; K7-V10 PolarHBondContact O-N 2.88Å; S8-V10 VanDerWaalsContact C-N 3.33Å; S8-V10 PolarHBondContact O-N 3.4Å; V10-A13 PolarHBondContact O-N 3.26Å; V10-K14 VanDerWaalsContact O-CB 3.25Å; V10-K14 WeakPolarHBondContact O-CB 3.4Å; V10-K14 PolarHBondContact O-N 3.47Å; V10-L21 HydrophobicContact CG1-CD1 4.22Å; V10-L21 HydrophobicContact CG1-CD2 4.26Å; V10-A364 HydrophobicContact CG1-CB 3.56Å
11D68.1Low67.9Low73 Ų7395.4 Ų95.439%0.3950%0.501SS..Hα-helixtrans-63-41.9176.6-72-30.1000111.5K7 S8 K14 K15K7-D11 WeakPolarHBondContact O-CB 3.43Å; K7-D11 VanDerWaalsContact O-CG 3.26Å; K7-D11 PolarHBondContact O-N 3.1Å; S8-D11 PolarHBondContact O-N 2.85Å; D11-K14 PolarHBondContact O-N 3.42Å; D11-K15 PolarHBondContact O-N 3.49Å
12T64.3Low69.1Low81 Ų8190.8 Ų90.850%0.49748%0.477SS..Hα-helixtrans-62.7-48.9172.3-55.80000111.3S8 K14 K15 D16S8-T12 PolarHBondContact O-N 3.2Å; S8-T12 PolarHBondContact O-OG1 3.2Å; S8-T12 VanDerWaalsContact O-OG1 3.04Å; T12-K14 VanDerWaalsContact C-N 3.27Å; T12-K14 PolarHBondContact O-N 2.9Å; T12-K15 PolarHBondContact O-N 3.44Å; T12-K15 VanDerWaalsContact O-N 3.15Å; T12-D16 WeakPolarHBondContact CG2-OD2 3.35Å; T12-D16 PolarHBondContact O-N 2.92Å
13A59.3Low69.9Low33 Ų3385.8 Ų85.827%0.27346%0.455SS..Hα-helixtrans-62.3-33.1178.600000113.1L9 V10 Y17L9-A13 WeakPolarHBondContact O-CB 3.34Å; L9-A13 PolarHBondContact O-N 3.16Å; V10-A13 PolarHBondContact O-N 3.26Å; A13-Y17 CarbonylContact O-C 3.2Å; A13-Y17 WeakPolarHBondContact O-CA 3.36Å; A13-Y17 PolarHBondContact O-N 3.41Å
14K61.1Low70.8Confident90 Ų9083.7 Ų83.739%0.39144%0.443SS..Hα-helixtrans-65.5-39.3176-178179.6178.4-177.60111.6V10 D11 T12 L21 G365V10-K14 VanDerWaalsContact O-CB 3.25Å; V10-K14 WeakPolarHBondContact O-CB 3.4Å; V10-K14 PolarHBondContact O-N 3.47Å; D11-K14 PolarHBondContact O-N 3.42Å; T12-K14 VanDerWaalsContact C-N 3.27Å; T12-K14 PolarHBondContact O-N 2.9Å; K14-L21 HydrophobicContact CB-CD2 3.86Å; K14-L21 HydrophobicContact CG-CD2 4.39Å; K14-G365 PolarHBondContact NZ-O 3.03Å
15K57.6Low71.5Confident181 Ų18180.9 Ų80.979%0.78742%0.423SS*.Hα-helixtrans-75.3-43.9179.8-168.2178.4-179.6-177.10111.9D11 T12D11-K15 PolarHBondContact O-N 3.49Å; T12-K15 PolarHBondContact O-N 3.44Å; T12-K15 VanDerWaalsContact O-N 3.15Å
16D59.6Low72.1Confident91 Ų9176.4 Ų76.449%0.48740%0.404SS..Hα-helixtrans-90.4-33.6-170-60.9-21.2000113T12T12-D16 WeakPolarHBondContact CG2-OD2 3.35Å; T12-D16 PolarHBondContact O-N 2.92Å
17Y65.1Low73Confident156 Ų15672.9 Ų72.961%0.61239%0.386SS*.  trans-143.568.4-173.7-58.7-76.2000113.4A13 S19 T20 L21A13-Y17 CarbonylContact O-C 3.2Å; A13-Y17 WeakPolarHBondContact O-CA 3.36Å; A13-Y17 PolarHBondContact O-N 3.41Å; Y17-S19 PolarHBondContact O-N 3.01Å; Y17-S19 VanDerWaalsContact O-N 3.15Å; Y17-T20 PolarHBondContact O-N 3.17Å; Y17-T20 VanDerWaalsContact O-N 3.14Å; Y17-L21 PolarHBondContact O-N 3.35Å
18P70.4Confident73.9Confident67 Ų6770 Ų7044%0.43538%0.381SS..Hα-helixtrans-58.6-33.2-177.623.4-34.3000113.1K22P18-K22 VanDerWaalsContact O-CG 3.24Å; P18-K22 WeakPolarHBondContact O-CG 3.46Å; P18-K22 PolarHBondContact O-N 2.95Å; P18-K22 VanDerWaalsContact O-N 3.14Å
19S70.9Confident74.9Confident90 Ų9067 Ų6763%0.62936%0.36SS*.Hα-helixtrans-71.1-41.3178.3-57.80000112.6Y17 K22 F23Y17-S19 PolarHBondContact O-N 3.01Å; Y17-S19 VanDerWaalsContact O-N 3.15Å; S19-K22 PolarHBondContact O-N 2.82Å; S19-F23 WeakPolarHBondContact O-CB 3.21Å; S19-F23 PolarHBondContact O-N 3.08Å
20T77.1Confident76Confident78 Ų7861.5 Ų61.548%0.47933%0.332SS..Hα-helixtrans-67.7-40.9178.3-52.20000111Y17 F23 C24Y17-T20 PolarHBondContact O-N 3.17Å; Y17-T20 VanDerWaalsContact O-N 3.14Å; T20-F23 WeakPolarHBondContact O-CB 2.97Å; T20-F23 PolarHBondContact O-N 3.26Å; T20-C24 PolarHBondContact O-N 3.13Å; T20-C24 PolarHBondContact O-SG 3.5Å; T20-C24 VanDerWaalsContact O-SG 3.41Å
21L80.2Confident77.3Confident23 Ų2363.3 Ų63.312%0.1234%0.338CS..Hα-helixtrans-60.6-47.9174.8-176.964.4000110.9V10 K14 Y17 F23 C24 M25V10-L21 HydrophobicContact CG1-CD1 4.22Å; V10-L21 HydrophobicContact CG1-CD2 4.26Å; K14-L21 HydrophobicContact CB-CD2 3.86Å; K14-L21 HydrophobicContact CG-CD2 4.39Å; Y17-L21 PolarHBondContact O-N 3.35Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-F23 PolarHBondContact O-N 3.02Å; L21-C24 PolarHBondContact O-N 3.34Å; L21-M25 HydrophobicContact CD1-CG 4.48Å; L21-M25 HydrophobicContact CG-CE 4.11Å; L21-M25 HydrophobicContact CG-SD 4.37Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.24Å; L21-M25 PolarHBondContact O-N 2.87Å
22K80.4Confident78.6Confident83 Ų8363.7 Ų63.736%0.36134%0.34SS..Hα-helixtrans-56.2-44.1174.7-74.4171.6-1751790112P18 S19 M25 C26P18-K22 VanDerWaalsContact O-CG 3.24Å; P18-K22 WeakPolarHBondContact O-CG 3.46Å; P18-K22 PolarHBondContact O-N 2.95Å; P18-K22 VanDerWaalsContact O-N 3.14Å; S19-K22 PolarHBondContact O-N 2.82Å; K22-M25 HydrophobicContact CG-CE 4.18Å; K22-M25 PolarHBondContact O-N 3.32Å; K22-C26 WeakPolarHBondContact O-CB 3.44Å; K22-C26 PolarHBondContact O-N 3.06Å; K22-C26 PolarHBondContact O-SG 3.27Å
23F85.3Confident80Confident56 Ų5659.9 Ų59.925%0.24632%0.316CS..Hα-helixtrans-58.4-49.4176173.3-98000112.1S19 T20 L21 M25 C26 C27 I89 T92S19-F23 WeakPolarHBondContact O-CB 3.21Å; S19-F23 PolarHBondContact O-N 3.08Å; T20-F23 WeakPolarHBondContact O-CB 2.97Å; T20-F23 PolarHBondContact O-N 3.26Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-F23 PolarHBondContact O-N 3.02Å; F23-M25 PolarHBondContact O-N 3.06Å; F23-C26 PolarHBondContact O-N 2.59Å; F23-C27 WeakPolarHBondContact CE2-SG 3.33Å; F23-C27 WeakPolarHBondContact CZ-SG 3.44Å; F23-C27 WeakPolarHBondContact O-CB 3.48Å; F23-C27 PolarHBondContact O-N 3Å; F23-C27 PolarHBondContact O-SG 2.96Å; F23-I89 HydrophobicContact CZ-CG2 4.23Å; F23-T92 HydrophobicContact CD2-CG2 3.75Å; F23-T92 HydrophobicContact CE2-CG2 3.91Å
24C87.9Confident81.6Confident63 Ų6358.4 Ų58.443%0.42630%0.304SS..Hα-helixtrans-62.4-41.5179-700000112.6T20 L21 S28T20-C24 PolarHBondContact O-N 3.13Å; T20-C24 PolarHBondContact O-SG 3.5Å; T20-C24 VanDerWaalsContact O-SG 3.41Å; L21-C24 PolarHBondContact O-N 3.34Å; C24-S28 WeakPolarHBondContact O-CB 3.46Å; C24-S28 PolarHBondContact O-N 3.1Å; C24-S28 PolarHBondContact O-OG 3.14Å
25M86.7Confident83.2Confident11 Ų1156.3 Ų56.35%0.05430%0.298CS..Hα-helixtrans-63.6-46.6176.4-65.4-170.8-65.600111.5L21 K22 F23 S28 A29 Y357 I360 R361 A364L21-M25 HydrophobicContact CD1-CG 4.48Å; L21-M25 HydrophobicContact CG-CE 4.11Å; L21-M25 HydrophobicContact CG-SD 4.37Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.24Å; L21-M25 PolarHBondContact O-N 2.87Å; K22-M25 HydrophobicContact CG-CE 4.18Å; K22-M25 PolarHBondContact O-N 3.32Å; F23-M25 PolarHBondContact O-N 3.06Å; M25-S28 PolarHBondContact O-N 2.98Å; M25-A29 WeakPolarHBondContact O-CB 3.22Å; M25-A29 PolarHBondContact O-N 3.41Å; M25-Y357 HydrophobicContact CB-CD2 4.24Å; M25-Y357 HydrophobicContact CB-CE2 3.87Å; M25-I360 HydrophobicContact CB-CG2 3.9Å; M25-I360 HydrophobicContact CG-CG2 3.56Å; M25-I360 HydrophobicContact SD-CG2 4.12Å; M25-R361 HydrophobicContact CE-CG 4.31Å; M25-R361 HydrophobicContact SD-CG 3.94Å; M25-A364 HydrophobicContact SD-CB 4.04Å
26C87.6Confident85Confident15 Ų1552.3 Ų52.310%0.10129%0.285CS..Hα-helixtrans-61-47.3176.8-73.90000112K22 F23 S28 A29 A30 T92 Y357K22-C26 WeakPolarHBondContact O-CB 3.44Å; K22-C26 PolarHBondContact O-N 3.06Å; K22-C26 PolarHBondContact O-SG 3.27Å; F23-C26 PolarHBondContact O-N 2.59Å; C26-S28 PolarHBondContact O-N 3.21Å; C26-A29 PolarHBondContact O-N 3.43Å; C26-A30 VanDerWaalsContact O-CB 3.23Å; C26-A30 WeakPolarHBondContact O-CB 3.33Å; C26-A30 PolarHBondContact O-N 3.27Å; C26-T92 HydrophobicContact CB-CG2 4.43Å; C26-Y357 VanDerWaalsContact SG-CE2 3.55Å
27C90.9Very high86.5Confident10 Ų1048.2 Ų48.27%0.06826%0.263CS..Hα-helixtrans-62.2-43.1178.9-76.30000111.7F23 A30 F31F23-C27 WeakPolarHBondContact CE2-SG 3.33Å; F23-C27 WeakPolarHBondContact CZ-SG 3.44Å; F23-C27 WeakPolarHBondContact O-CB 3.48Å; F23-C27 PolarHBondContact O-N 3Å; F23-C27 PolarHBondContact O-SG 2.96Å; C27-A30 PolarHBondContact O-N 3.25Å; C27-F31 HydrophobicContact CB-CE1 4.48Å; C27-F31 WeakPolarHBondContact O-CB 3.17Å; C27-F31 WeakPolarHBondContact O-CD1 3.35Å; C27-F31 VanDerWaalsContact O-CG 3.27Å; C27-F31 WeakPolarHBondContact O-CG 3.44Å; C27-F31 PolarHBondContact O-N 3.41Å
28S91.4Very high87.9Confident62 Ų6240.8 Ų40.843%0.43423%0.234SC..Hα-helixtrans-64-44.3178.5-58.30000112C24 M25 C26 F31 L32C24-S28 WeakPolarHBondContact O-CB 3.46Å; C24-S28 PolarHBondContact O-N 3.1Å; C24-S28 PolarHBondContact O-OG 3.14Å; M25-S28 PolarHBondContact O-N 2.98Å; C26-S28 PolarHBondContact O-N 3.21Å; S28-F31 PolarHBondContact O-N 3.14Å; S28-L32 PolarHBondContact O-N 3.47Å
29A91.9Very high88.9Confident0 Ų038.7 Ų38.70%022%0.22CC..Hα-helixtrans-63.4-42.617500000112.2M25 C26 F31 L32 S33 F353 T356 Y357 I360M25-A29 WeakPolarHBondContact O-CB 3.22Å; M25-A29 PolarHBondContact O-N 3.41Å; C26-A29 PolarHBondContact O-N 3.43Å; A29-F31 VanDerWaalsContact C-N 3.32Å; A29-F31 PolarHBondContact O-N 3.41Å; A29-L32 PolarHBondContact O-N 3.28Å; A29-S33 WeakPolarHBondContact O-CB 3.43Å; A29-S33 PolarHBondContact O-N 3.36Å; A29-S33 VanDerWaalsContact O-N 3.07Å; A29-S33 PolarHBondContact O-OG 3.24Å; A29-F353 HydrophobicContact CB-CD2 3.91Å; A29-F353 HydrophobicContact CB-CE2 3.87Å; A29-T356 HydrophobicContact CB-CG2 4.03Å; A29-Y357 HydrophobicContact CB-CD2 4.34Å; A29-I360 HydrophobicContact CB-CD1 4.32Å
30A93Very high89.9Confident4 Ų436.8 Ų36.83%0.03320%0.203CC..Hα-helixtrans-63.3-38.2176.400000112C26 C27 S33 E34 H88 F353C26-A30 VanDerWaalsContact O-CB 3.23Å; C26-A30 WeakPolarHBondContact O-CB 3.33Å; C26-A30 PolarHBondContact O-N 3.27Å; C27-A30 PolarHBondContact O-N 3.25Å; A30-S33 PolarHBondContact O-N 2.91Å; A30-E34 VanDerWaalsContact O-CB 3.23Å; A30-E34 WeakPolarHBondContact O-CB 3.5Å; A30-E34 PolarHBondContact O-N 2.88Å; A30-H88 HydrophobicContact CB-CB 4.37Å; A30-F353 HydrophobicContact CB-CD2 4.33Å; A30-F353 HydrophobicContact CB-CE2 4.14Å
31F94.6Very high90.6Very high62 Ų6233.7 Ų33.727%0.27218%0.183SC..Hα-helixtrans-65.3-46.3179.6-80.123.9000112C27 S28 A29 T35 L85 H88 I89C27-F31 HydrophobicContact CB-CE1 4.48Å; C27-F31 WeakPolarHBondContact O-CB 3.17Å; C27-F31 WeakPolarHBondContact O-CD1 3.35Å; C27-F31 VanDerWaalsContact O-CG 3.27Å; C27-F31 WeakPolarHBondContact O-CG 3.44Å; C27-F31 PolarHBondContact O-N 3.41Å; S28-F31 PolarHBondContact O-N 3.14Å; A29-F31 VanDerWaalsContact C-N 3.32Å; A29-F31 PolarHBondContact O-N 3.41Å; F31-T35 WeakPolarHBondContact O-CB 3.28Å; F31-T35 PolarHBondContact O-N 3.09Å; F31-T35 PolarHBondContact O-OG1 3.13Å; F31-L85 HydrophobicContact CB-CD2 3.82Å; F31-L85 HydrophobicContact CD1-CB 4.33Å; F31-L85 HydrophobicContact CD1-CD2 3.92Å; F31-L85 HydrophobicContact CD2-CB 4.43Å; F31-L85 HydrophobicContact CD2-CD1 4.44Å; F31-L85 HydrophobicContact CD2-CD2 4.23Å; F31-L85 HydrophobicContact CE1-CB 4.18Å; F31-L85 WeakPolarHBondContact CE1-O 3.14Å; F31-L85 HydrophobicContact CE2-CB 4.25Å; F31-L85 HydrophobicContact CG-CB 4.47Å; F31-L85 HydrophobicContact CG-CD2 3.73Å; F31-L85 HydrophobicContact CZ-CB 4.12Å; F31-H88 HydrophobicContact CD1-CB 4.13Å; F31-H88 HydrophobicContact CE1-CB 3.8Å; F31-I89 HydrophobicContact CE1-CG1 4.09Å; F31-I89 HydrophobicContact CZ-CD1 3.91Å; F31-I89 HydrophobicContact CZ-CG1 3.68Å
32L94.6Very high91.1Very high82 Ų8232.6 Ų32.643%0.42918%0.178SC..Hα-helixtrans-64.4-44.3178.2-175.755.3000111S28 A29 T35 I36 T356S28-L32 PolarHBondContact O-N 3.47Å; A29-L32 PolarHBondContact O-N 3.28Å; L32-T35 PolarHBondContact O-N 2.73Å; L32-I36 HydrophobicContact CD1-CD1 3.92Å; L32-I36 HydrophobicContact CD1-CG1 4.43Å; L32-I36 HydrophobicContact CG-CD1 4.03Å; L32-I36 WeakPolarHBondContact O-CG1 3.32Å; L32-I36 PolarHBondContact O-N 3.15Å; L32-T356 HydrophobicContact CB-CG2 4.2Å; L32-T356 HydrophobicContact CD2-CG2 3.69Å; L32-T356 HydrophobicContact CG-CG2 4.49Å
33S94.5Very high91.6Very high0 Ų029.5 Ų29.50%017%0.165CC..Hα-helixtrans-63.9-44.1179.3-52.10000112.7A29 A30 T37 T352 F353A29-S33 WeakPolarHBondContact O-CB 3.43Å; A29-S33 PolarHBondContact O-N 3.36Å; A29-S33 VanDerWaalsContact O-N 3.07Å; A29-S33 PolarHBondContact O-OG 3.24Å; A30-S33 PolarHBondContact O-N 2.91Å; S33-T37 WeakPolarHBondContact O-CB 2.91Å; S33-T37 WeakPolarHBondContact O-CG2 3.49Å; S33-T37 PolarHBondContact O-N 3.14Å; S33-T37 VanDerWaalsContact O-N 3.08Å; S33-T37 PolarHBondContact O-OG1 3.1Å; S33-T352 VanDerWaalsContact OG-C 3.26Å; S33-F353 WeakPolarHBondContact OG-CA 3.38Å; S33-F353 WeakPolarHBondContact OG-CB 3.3Å; S33-F353 PolarHBondContact OG-N 2.8Å
34E94Very high92Very high3 Ų327.9 Ų27.91%0.01416%0.157CC..Hα-helixtrans-61.8-46.3174.2-168.782.1-17400109.9A30 I36 T37 Y38 A84 L85 R87 H88 K180A30-E34 VanDerWaalsContact O-CB 3.23Å; A30-E34 WeakPolarHBondContact O-CB 3.5Å; A30-E34 PolarHBondContact O-N 2.88Å; E34-I36 VanDerWaalsContact C-N 3.33Å; E34-I36 PolarHBondContact O-N 2.82Å; E34-T37 CarbonylContact O-C 3.42Å; E34-T37 PolarHBondContact O-N 3.49Å; E34-Y38 HydrophobicContact CG-CD2 4.16Å; E34-Y38 WeakPolarHBondContact O-CA 3.42Å; E34-Y38 WeakPolarHBondContact O-CB 3.17Å; E34-Y38 PolarHBondContact O-N 3.17Å; E34-A84 HydrophobicContact CG-CB 4.1Å; E34-L85 HydrophobicContact CB-CD2 4.22Å; E34-L85 HydrophobicContact CG-CD2 4.47Å; E34-R87 IonicContact OE2-NH2 2.77Å; E34-H88 IonicContact OE2-CD2 3.95Å; E34-H88 IonicContact OE2-CE1 3.7Å; E34-H88 IonicContact OE2-NE2 2.74Å; E34-H88 PolarHBondContact OE2-NE2 3.08Å; E34-K180 IonicContact OE1-NZ 3.87Å; E34-K180 PolarHBondContact OE1-NZ 3.46Å
35T94.7Very high92.1Very high46 Ų4625.3 Ų25.328%0.28214%0.14SC..Hα-helixtrans-59.9-41.1-178-58.90000112.7F31 L32 W78 L81F31-T35 WeakPolarHBondContact O-CB 3.28Å; F31-T35 PolarHBondContact O-N 3.09Å; F31-T35 PolarHBondContact O-OG1 3.13Å; L32-T35 PolarHBondContact O-N 2.73Å; T35-W78 PolarHBondContact O-NE1 3.13Å; T35-L81 HydrophobicContact CG2-CD2 4.13Å
36I93.5Very high92.3Very high97 Ų9725.1 Ų25.150%0.49714%0.139SC..Hα-helixtrans-71.3-41178.9-71.5166.7000111.3L32 E34 T352L32-I36 HydrophobicContact CD1-CD1 3.92Å; L32-I36 HydrophobicContact CD1-CG1 4.43Å; L32-I36 HydrophobicContact CG-CD1 4.03Å; L32-I36 WeakPolarHBondContact O-CG1 3.32Å; L32-I36 PolarHBondContact O-N 3.15Å; E34-I36 VanDerWaalsContact C-N 3.33Å; E34-I36 PolarHBondContact O-N 2.82Å; I36-T352 HydrophobicContact CD1-CG2 3.71Å
37T92.8Very high92.5Very high4 Ų424.4 Ų24.43%0.02513%0.134CC..Hα-helixtrans-90.6-5.1-175.959.60000114.2S33 E34 P39 L40 P348 W349S33-T37 WeakPolarHBondContact O-CB 2.91Å; S33-T37 WeakPolarHBondContact O-CG2 3.49Å; S33-T37 PolarHBondContact O-N 3.14Å; S33-T37 VanDerWaalsContact O-N 3.08Å; S33-T37 PolarHBondContact O-OG1 3.1Å; E34-T37 CarbonylContact O-C 3.42Å; E34-T37 PolarHBondContact O-N 3.49Å; T37-P39 VanDerWaalsContact C-CD 3.43Å; T37-L40 WeakPolarHBondContact O-CB 3.32Å; T37-L40 PolarHBondContact O-N 2.94Å; T37-P348 HydrophobicContact CG2-CB 4.14Å; T37-W349 HydrophobicContact CG2-CB 4.05Å
38Y93Very high92.5Very high0 Ų023.9 Ų23.90%013%0.13CC..Hα-helixtrans-55.7-38.2-175.5-157.8-97.5000115E34 L40 D41 I42 L77 Q79 G80 L81 A84 Q184E34-Y38 HydrophobicContact CG-CD2 4.16Å; E34-Y38 WeakPolarHBondContact O-CA 3.42Å; E34-Y38 WeakPolarHBondContact O-CB 3.17Å; E34-Y38 PolarHBondContact O-N 3.17Å; Y38-L40 PolarHBondContact O-N 3.11Å; Y38-D41 WeakPolarHBondContact O-CB 3.35Å; Y38-D41 PolarHBondContact O-N 3.04Å; Y38-I42 PolarHBondContact O-N 2.93Å; Y38-I42 VanDerWaalsContact O-N 3.13Å; Y38-L77 WeakPolarHBondContact CD1-O 3.31Å; Y38-L77 WeakPolarHBondContact CE1-O 3.17Å; Y38-Q79 WeakPolarHBondContact CE1-O 3.29Å; Y38-Q79 PolarHBondContact OH-O 3.46Å; Y38-Q79 VanDerWaalsContact OH-O 3.09Å; Y38-G80 VanDerWaalsContact CZ-C 3.41Å; Y38-G80 VanDerWaalsContact OH-CA 3.26Å; Y38-G80 WeakPolarHBondContact OH-CA 3.39Å; Y38-G80 PolarHBondContact OH-O 2.65Å; Y38-L81 HydrophobicContact CD2-CD1 3.74Å; Y38-L81 HydrophobicContact CE1-CB 4.45Å; Y38-L81 HydrophobicContact CE2-CD1 4.28Å; Y38-L81 HydrophobicContact CG-CD1 3.9Å; Y38-L81 PolarHBondContact OH-N 3.35Å; Y38-A84 HydrophobicContact CD2-CB 4.17Å; Y38-A84 HydrophobicContact CE2-CB 3.48Å; Y38-A84 VanDerWaalsContact CE2-CB 3.48Å; Y38-Q184 WeakPolarHBondContact OH-CG 3.36Å; Y38-Q184 PolarHBondContact OH-NE2 3.07Å
39P92.7Very high92.3Very high24 Ų2421 Ų2116%0.15611%0.11CC..Hα-helixtrans-57.6-30.6174.6-28.838.5000114T37 I42 L43 L77 W78T37-P39 VanDerWaalsContact C-CD 3.43Å; P39-I42 VanDerWaalsContact O-CG2 3.32Å; P39-I42 WeakPolarHBondContact O-CG2 3.47Å; P39-L43 WeakPolarHBondContact O-CB 3.16Å; P39-L43 WeakPolarHBondContact O-CD1 3.34Å; P39-L43 WeakPolarHBondContact O-CG 3.45Å; P39-L43 PolarHBondContact O-N 3.12Å; P39-L77 HydrophobicContact CB-CB 4.05Å; P39-L77 HydrophobicContact CB-CD1 4.11Å; P39-L77 HydrophobicContact CG-CB 4.22Å; P39-W78 HydrophobicContact CG-CH2 4.16Å; P39-W78 HydrophobicContact CG-CZ2 3.77Å
40L91.4Very high92.1Very high49 Ų4921.1 Ų21.126%0.25711%0.11SC..Hα-helixtrans-71.9-35.5175.6-62.7173.6000111.5T37 Y38 K44 L341 R345T37-L40 WeakPolarHBondContact O-CB 3.32Å; T37-L40 PolarHBondContact O-N 2.94Å; Y38-L40 PolarHBondContact O-N 3.11Å; L40-K44 VanDerWaalsContact O-CB 3.24Å; L40-K44 WeakPolarHBondContact O-CB 3.38Å; L40-K44 PolarHBondContact O-N 2.8Å; L40-L341 HydrophobicContact CD2-CD2 4.03Å; L40-R345 HydrophobicContact CB-CB 4.4Å; L40-R345 HydrophobicContact CB-CG 4.28Å; L40-R345 HydrophobicContact CD1-CB 4.02Å; L40-R345 HydrophobicContact CD1-CG 4.17Å
41D91.5Very high91.3Very high14 Ų1421.2 Ų21.28%0.07511%0.112CC..Hα-helixtrans-65.2-44.8177.7-91.614.3000112.2Y38 K44 T45 K180 R345Y38-D41 WeakPolarHBondContact O-CB 3.35Å; Y38-D41 PolarHBondContact O-N 3.04Å; D41-K44 PolarHBondContact O-N 3.37Å; D41-T45 WeakPolarHBondContact O-CG2 3.46Å; D41-T45 PolarHBondContact O-N 2.74Å; D41-T45 PolarHBondContact O-OG1 3.29Å; D41-K180 IonicContact OD2-NZ 2.85Å; D41-K180 PolarHBondContact OD2-NZ 3.39Å; D41-R345 WeakPolarHBondContact OD1-CD 3.41Å; D41-R345 IonicContact OD1-CZ 3.4Å; D41-R345 IonicContact OD1-NE 3.88Å; D41-R345 PolarHBondContact OD1-NE 3.37Å; D41-R345 IonicContact OD1-NH1 2.69Å
42I90.7Very high90.5Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-67.9-40.3178.7-159.9172.3000111Y38 P39 T45 R46 K76 L77 Q79 Q184Y38-I42 PolarHBondContact O-N 2.93Å; Y38-I42 VanDerWaalsContact O-N 3.13Å; P39-I42 VanDerWaalsContact O-CG2 3.32Å; P39-I42 WeakPolarHBondContact O-CG2 3.47Å; I42-T45 WeakPolarHBondContact CA-OG1 3.11Å; I42-T45 PolarHBondContact O-N 3.24Å; I42-T45 PolarHBondContact O-OG1 3.05Å; I42-R46 WeakPolarHBondContact O-CB 3.25Å; I42-R46 WeakPolarHBondContact O-CG 3.28Å; I42-R46 PolarHBondContact O-N 3.39Å; I42-K76 WeakPolarHBondContact CD1-O 3.39Å; I42-L77 HydrophobicContact CG2-CB 4.14Å; I42-L77 HydrophobicContact CG2-CD2 3.55Å; I42-L77 HydrophobicContact CG2-CG 4.46Å; I42-L77 WeakPolarHBondContact CG2-O 3.38Å; I42-Q79 HydrophobicContact CD1-CB 4.38Å; I42-Q184 HydrophobicContact CG1-CB 4.24Å; I42-Q184 HydrophobicContact CG1-CG 4.27Å
43L91.9Very high88.9Confident17 Ų1717.5 Ų17.59%0.0899%0.094CC..Hα-helixtrans-64.5-43.6176.7-70172.4000111.1P39 R46 I47 C65 V68 L77 L341P39-L43 WeakPolarHBondContact O-CB 3.16Å; P39-L43 WeakPolarHBondContact O-CD1 3.34Å; P39-L43 WeakPolarHBondContact O-CG 3.45Å; P39-L43 PolarHBondContact O-N 3.12Å; L43-R46 PolarHBondContact O-N 2.77Å; L43-I47 WeakPolarHBondContact O-CB 3.32Å; L43-I47 WeakPolarHBondContact O-CD1 3.34Å; L43-I47 VanDerWaalsContact O-CG1 3.32Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.48Å; L43-C65 HydrophobicContact CD2-CB 4.17Å; L43-V68 HydrophobicContact CD2-CB 4.39Å; L43-V68 HydrophobicContact CD2-CG1 4.41Å; L43-L77 HydrophobicContact CD2-CD2 4.21Å; L43-L77 HydrophobicContact CG-CD2 4.32Å; L43-L341 HydrophobicContact CB-CD1 3.96Å
44K92.2Very high87.7Confident22 Ų2223.4 Ų23.410%0.09612%0.122CC..Hα-helixtrans-55-55.4173.7172.5-165.7169.5173.30110.5L40 D41 R46 I47 Q48 D292 L341 I342L40-K44 VanDerWaalsContact O-CB 3.24Å; L40-K44 WeakPolarHBondContact O-CB 3.38Å; L40-K44 PolarHBondContact O-N 2.8Å; D41-K44 PolarHBondContact O-N 3.37Å; K44-R46 PolarHBondContact O-N 2.98Å; K44-I47 PolarHBondContact O-N 3.41Å; K44-Q48 VanDerWaalsContact CE-NE2 3.32Å; K44-Q48 HydrophobicContact CG-CG 4.38Å; K44-Q48 VanDerWaalsContact O-CG 3.28Å; K44-Q48 WeakPolarHBondContact O-CG 3.25Å; K44-Q48 PolarHBondContact O-N 2.91Å; K44-D292 IonicContact NZ-OD1 3.61Å; K44-D292 IonicContact NZ-OD2 2.86Å; K44-D292 PolarHBondContact NZ-OD2 3.15Å; K44-L341 HydrophobicContact CB-CB 4.21Å; K44-L341 HydrophobicContact CB-CD1 4.32Å; K44-I342 HydrophobicContact CD-CD1 4.39Å; K44-I342 HydrophobicContact CD-CG1 3.65Å; K44-I342 HydrophobicContact CG-CG1 4.17Å
45T91.7Very high86.1Confident9 Ų928.6 Ų28.66%0.05516%0.158CC..Hα-helixtrans-64.3-40.4-176.150.70000111.8D41 I42 I47 Q48 V49 T296D41-T45 WeakPolarHBondContact O-CG2 3.46Å; D41-T45 PolarHBondContact O-N 2.74Å; D41-T45 PolarHBondContact O-OG1 3.29Å; I42-T45 WeakPolarHBondContact CA-OG1 3.11Å; I42-T45 PolarHBondContact O-N 3.24Å; I42-T45 PolarHBondContact O-OG1 3.05Å; T45-I47 PolarHBondContact O-N 3.33Å; T45-Q48 PolarHBondContact O-N 3.24Å; T45-V49 VanDerWaalsContact O-CG2 3.25Å; T45-V49 WeakPolarHBondContact O-CG2 3.38Å; T45-V49 PolarHBondContact O-N 3.45Å; T45-T296 HydrophobicContact CG2-CG2 4.04Å
46R90.4Very high84.8Confident7 Ų728 Ų283%0.02616%0.156CC..Hα-helixtrans-57.2-45.6172.2-73.8-88-162.5-101.5-22.5112.2I42 L43 K44 V49 Y50 E72 Q184 T185 R187I42-R46 WeakPolarHBondContact O-CB 3.25Å; I42-R46 WeakPolarHBondContact O-CG 3.28Å; I42-R46 PolarHBondContact O-N 3.39Å; L43-R46 PolarHBondContact O-N 2.77Å; K44-R46 PolarHBondContact O-N 2.98Å; R46-V49 PolarHBondContact O-N 3.46Å; R46-Y50 PolarHBondContact O-N 2.9Å; R46-E72 IonicContact CZ-OE1 2.98Å; R46-E72 IonicContact CZ-OE2 2.87Å; R46-E72 IonicContact NE-OE1 3.22Å; R46-E72 PolarHBondContact NE-OE1 2.74Å; R46-E72 IonicContact NE-OE2 3.45Å; R46-E72 IonicContact NH2-OE1 3.74Å; R46-E72 PolarHBondContact NH2-OE1 2.9Å; R46-E72 IonicContact NH2-OE2 2.67Å; R46-E72 PolarHBondContact NH2-OE2 2.97Å; R46-Q184 PolarHBondContact NH1-O 2.67Å; R46-Q184 PolarHBondContact NH2-O 3.38Å; R46-Q184 VanDerWaalsContact NH2-O 3.14Å; R46-T185 PolarHBondContact NH1-O 3.25Å; R46-R187 VanDerWaalsContact NH1-N 3.17Å
47I90.8Very high83.9Confident0 Ų028.3 Ų28.30%017%0.167CC..Hα-helixtrans-67.9-39.4-179.7-76.6161.2000112.2L43 K44 T45 V49 Y50 Y58 V61 I64 K337 L341L43-I47 WeakPolarHBondContact O-CB 3.32Å; L43-I47 WeakPolarHBondContact O-CD1 3.34Å; L43-I47 VanDerWaalsContact O-CG1 3.32Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.48Å; K44-I47 PolarHBondContact O-N 3.41Å; T45-I47 PolarHBondContact O-N 3.33Å; I47-V49 VanDerWaalsContact C-N 3.26Å; I47-V49 PolarHBondContact O-N 3.01Å; I47-Y50 WeakPolarHBondContact O-CB 3.49Å; I47-Y50 PolarHBondContact O-N 3.47Å; I47-Y58 HydrophobicContact CG2-CE2 4.03Å; I47-Y58 WeakPolarHBondContact CG2-OH 3.35Å; I47-V61 HydrophobicContact CD1-CB 4.22Å; I47-V61 HydrophobicContact CD1-CG1 3.76Å; I47-V61 HydrophobicContact CD1-CG2 4.17Å; I47-I64 HydrophobicContact CG1-CB 4.25Å; I47-I64 HydrophobicContact CG1-CD1 3.86Å; I47-I64 HydrophobicContact CG1-CG2 3.93Å; I47-K337 HydrophobicContact CG2-CB 3.86Å; I47-L341 HydrophobicContact CD1-CD1 3.49Å; I47-L341 VanDerWaalsContact CD1-CD1 3.49Å
48Q90.7Very high83.3Confident0 Ų031.6 Ų31.60%018%0.179CC..Hα-helixtrans-63.6-35.9179.8-75.4-177.4-34.400112.3K44 T45 M293 T296 R297K44-Q48 VanDerWaalsContact CE-NE2 3.32Å; K44-Q48 HydrophobicContact CG-CG 4.38Å; K44-Q48 VanDerWaalsContact O-CG 3.28Å; K44-Q48 WeakPolarHBondContact O-CG 3.25Å; K44-Q48 PolarHBondContact O-N 2.91Å; T45-Q48 PolarHBondContact O-N 3.24Å; Q48-M293 HydrophobicContact CB-CE 3.94Å; Q48-M293 HydrophobicContact CB-SD 3.57Å; Q48-M293 VanDerWaalsContact CB-SD 3.57Å; Q48-M293 HydrophobicContact CG-CE 3.86Å; Q48-M293 HydrophobicContact CG-SD 3.97Å; Q48-T296 HydrophobicContact CB-CG2 4.35Å; Q48-T296 PolarHBondContact OE1-OG1 3.43Å; Q48-R297 PolarHBondContact O-NE 2.96Å; Q48-R297 PolarHBondContact O-NH2 3.2Å
49V88.7Confident82.8Confident0 Ų033 Ų330%019%0.189CC..THydrogen-bonded Turntrans-97.42.2-177.5-158.60000112T45 R46 I47 G51 E52 T185 R188 T296 N300T45-V49 VanDerWaalsContact O-CG2 3.25Å; T45-V49 WeakPolarHBondContact O-CG2 3.38Å; T45-V49 PolarHBondContact O-N 3.45Å; R46-V49 PolarHBondContact O-N 3.46Å; I47-V49 VanDerWaalsContact C-N 3.26Å; I47-V49 PolarHBondContact O-N 3.01Å; V49-G51 PolarHBondContact O-N 2.87Å; V49-E52 HydrophobicContact CG1-CB 4.32Å; V49-E52 WeakPolarHBondContact O-CB 3.07Å; V49-E52 PolarHBondContact O-N 3.36Å; V49-T185 HydrophobicContact CG2-CG2 3.96Å; V49-R188 PolarHBondContact O-NH1 2.94Å; V49-R188 VanDerWaalsContact O-NH1 3.16Å; V49-T296 HydrophobicContact CG2-CG2 3.4Å; V49-T296 VanDerWaalsContact CG2-CG2 3.4Å; V49-N300 HydrophobicContact CG1-CB 4.18Å; V49-N300 WeakPolarHBondContact CG1-ND2 3.45Å; V49-N300 HydrophobicContact CG2-CB 4.36Å
50Y86.2Confident82.5Confident3 Ų333 Ų331%0.01219%0.192CC..THydrogen-bonded Turntrans-67.8127.7177.3-176.9-83.6000111.5R46 I47 E52 Y58 P59 I64 E192 L195 N196 K337R46-Y50 PolarHBondContact O-N 2.9Å; I47-Y50 WeakPolarHBondContact O-CB 3.49Å; I47-Y50 PolarHBondContact O-N 3.47Å; Y50-E52 VanDerWaalsContact C-N 3.25Å; Y50-E52 PolarHBondContact O-N 2.92Å; Y50-Y58 AromaticContact CD1-CD2 4Å; Y50-Y58 HydrophobicContact CD1-CD2 4Å; Y50-P59 HydrophobicContact CE1-CG 4.04Å; Y50-P59 HydrophobicContact CE2-CG 4.24Å; Y50-P59 VanDerWaalsContact CZ-CD 3.48Å; Y50-I64 HydrophobicContact CD1-CD1 4.37Å; Y50-I64 HydrophobicContact CD2-CD1 3.86Å; Y50-I64 HydrophobicContact CD2-CG1 4.16Å; Y50-I64 HydrophobicContact CE2-CD1 4.33Å; Y50-I64 HydrophobicContact CE2-CG1 4.3Å; Y50-I64 HydrophobicContact CG-CD1 3.87Å; Y50-E192 WeakPolarHBondContact CA-OE1 3.36Å; Y50-E192 HydrophobicContact CD2-CG 3.65Å; Y50-E192 HydrophobicContact CE2-CB 4.45Å; Y50-E192 HydrophobicContact CE2-CG 3.7Å; Y50-L195 HydrophobicContact CE2-CD2 3.94Å; Y50-N196 PolarHBondContact OH-OD1 2.71Å; Y50-K337 PolarHBondContact O-NZ 3.23Å
51G76.1Confident82.3Confident6 Ų632.7 Ų32.76%0.06219%0.193CC..THydrogen-bonded Turntrans67.628.417900000112.5V49 L53 Q54V49-G51 PolarHBondContact O-N 2.87Å; G51-L53 PolarHBondContact O-N 3.49Å; G51-Q54 PolarHBondContact O-N 3.22Å
52E78.4Confident82.2Confident21 Ų2138.9 Ų38.910%0.09822%0.224CC..THydrogen-bonded Turntrans-54.1111.3178.1177.8173-137.700111.1V49 Y50 Q54 R188 N300 L315 Y316V49-E52 HydrophobicContact CG1-CB 4.32Å; V49-E52 WeakPolarHBondContact O-CB 3.07Å; V49-E52 PolarHBondContact O-N 3.36Å; Y50-E52 VanDerWaalsContact C-N 3.25Å; Y50-E52 PolarHBondContact O-N 2.92Å; E52-Q54 PolarHBondContact O-N 3.06Å; E52-R188 IonicContact OE2-CZ 3.06Å; E52-R188 IonicContact OE2-NH1 3.37Å; E52-R188 PolarHBondContact OE2-NH1 3.16Å; E52-R188 IonicContact OE2-NH2 2.76Å; E52-R188 PolarHBondContact OE2-NH2 3.16Å; E52-N300 PolarHBondContact OE2-ND2 3.44Å; E52-L315 HydrophobicContact CG-CD2 4.07Å; E52-Y316 VanDerWaalsContact CG-OH 3.28Å; E52-Y316 WeakPolarHBondContact CG-OH 3.11Å; E52-Y316 VanDerWaalsContact OE1-CE2 3.25Å; E52-Y316 WeakPolarHBondContact OE1-CE2 3.47Å; E52-Y316 PolarHBondContact OE1-OH 2.87Å
53L61.7Low82.1Confident45 Ų4545 Ų4524%0.23625%0.251CS..THydrogen-bonded Turntrans59-1.5-180-54.5178000116.8G51 L315 Y316 K325 N329 E330G51-L53 PolarHBondContact O-N 3.49Å; L53-L315 HydrophobicContact CD1-CD1 3.23Å; L53-L315 HydrophobicContact CD1-CD2 3.61Å; L53-L315 HydrophobicContact CD1-CG 3.38Å; L53-L315 HydrophobicContact CG-CD2 4.46Å; L53-Y316 HydrophobicContact CD1-CE1 4.31Å; L53-Y316 HydrophobicContact CD2-CE1 4.13Å; L53-Y316 HydrophobicContact CG-CE1 4.49Å; L53-K325 HydrophobicContact CD2-CB 3.98Å; L53-N329 WeakPolarHBondContact CD2-ND2 3.14Å; L53-E330 PolarHBondContact N-OE1 3.34Å
54Q68.3Low82Confident125 Ų12544.3 Ų44.358%0.58425%0.247SC*.SBendtrans-95.1128.8167.6-67.2-177.5-6.500107.6G51 E52 S56G51-Q54 PolarHBondContact O-N 3.22Å; E52-Q54 PolarHBondContact O-N 3.06Å; Q54-S56 PolarHBondContact O-N 3.01Å
55S60.5Low81.8Confident111 Ų11144.4 Ų44.478%0.77625%0.25SS*.  trans-69.235177.3-56.80000113.6S57S55-S57 PolarHBondContact O-N 3.21Å
56S68.8Low81.8Confident34 Ų3447.3 Ų47.324%0.23827%0.271CS..  trans-68.2128.9172.8-67.60000109.6Q54 Y58 N196Q54-S56 PolarHBondContact O-N 3.01Å; S56-Y58 PolarHBondContact O-N 2.99Å; S56-N196 PolarHBondContact OG-ND2 3.13Å
57S74Confident81.6Confident103 Ų10347.2 Ų47.272%0.7227%0.271SS*.  trans-56.8134.3175.4-173.50000110.4S55 P59S55-S57 PolarHBondContact O-N 3.21Å; S57-P59 VanDerWaalsContact O-CD 3.22Å; S57-P59 WeakPolarHBondContact O-CD 3.4Å
58Y80.6Confident81.5Confident73 Ų7347.2 Ų47.229%0.28627%0.272SS..  trans-72.9113.5177.8179.7-107.1000109.6I47 Y50 S56 G60 V61 I64 K337I47-Y58 HydrophobicContact CG2-CE2 4.03Å; I47-Y58 WeakPolarHBondContact CG2-OH 3.35Å; Y50-Y58 AromaticContact CD1-CD2 4Å; Y50-Y58 HydrophobicContact CD1-CD2 4Å; S56-Y58 PolarHBondContact O-N 2.99Å; Y58-G60 VanDerWaalsContact CE1-CA 3.47Å; Y58-G60 PolarHBondContact O-N 3.02Å; Y58-V61 WeakPolarHBondContact OH-CG2 3.39Å; Y58-V61 PolarHBondContact OH-N 2.96Å; Y58-I64 HydrophobicContact CD2-CD1 4.18Å; Y58-I64 HydrophobicContact CE2-CD1 3.51Å; Y58-K337 HydrophobicContact CD2-CD 3.96Å; Y58-K337 HydrophobicContact CD2-CG 4.25Å; Y58-K337 HydrophobicContact CE2-CD 4.12Å; Y58-K337 HydrophobicContact CE2-CG 4.11Å
59P81.5Confident81.4Confident30 Ų3051 Ų5120%0.19529%0.291CS..  trans-79.8-5.1-169.830.9-34.2000113.3Y50 S57 K63 I64 L195Y50-P59 HydrophobicContact CE1-CG 4.04Å; Y50-P59 HydrophobicContact CE2-CG 4.24Å; Y50-P59 VanDerWaalsContact CZ-CD 3.48Å; S57-P59 VanDerWaalsContact O-CD 3.22Å; S57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-K63 HydrophobicContact CB-CB 4.25Å; P59-K63 HydrophobicContact CB-CD 4.17Å; P59-K63 VanDerWaalsContact O-CD 3.31Å; P59-K63 WeakPolarHBondContact O-CD 3.2Å; P59-I64 HydrophobicContact CG-CD1 4.16Å; P59-I64 HydrophobicContact CG-CG1 3.88Å; P59-L195 HydrophobicContact CB-CD1 4.03Å; P59-L195 HydrophobicContact CB-CD2 3.88Å; P59-L195 HydrophobicContact CB-CG 3.98Å; P59-L195 HydrophobicContact CG-CD1 4.27Å; P59-L195 HydrophobicContact CG-CD2 3.21Å; P59-L195 HydrophobicContact CG-CG 3.72Å
60G86Confident81.3Confident23 Ų2360.3 Ų60.324%0.23733%0.326CS..  trans97.6154.4-176.100000113.6Y58 I62 K63 I64Y58-G60 VanDerWaalsContact CE1-CA 3.47Å; Y58-G60 PolarHBondContact O-N 3.02Å; G60-I62 PolarHBondContact O-N 2.91Å; G60-K63 PolarHBondContact O-N 2.54Å; G60-I64 WeakPolarHBondContact O-CG1 3.11Å; G60-I64 PolarHBondContact O-N 2.99Å
61V87.5Confident81.3Confident43 Ų4363 Ų6326%0.26134%0.341SS..Hα-helixtrans-55.7-49.1-178.2175.70000111.3I47 Y58 K63 I64 C65 L341I47-V61 HydrophobicContact CD1-CB 4.22Å; I47-V61 HydrophobicContact CD1-CG1 3.76Å; I47-V61 HydrophobicContact CD1-CG2 4.17Å; Y58-V61 WeakPolarHBondContact OH-CG2 3.39Å; Y58-V61 PolarHBondContact OH-N 2.96Å; V61-K63 PolarHBondContact O-N 2.87Å; V61-I64 PolarHBondContact O-N 3.32Å; V61-C65 PolarHBondContact O-N 3.35Å; V61-C65 PolarHBondContact O-SG 3.17Å; V61-L341 HydrophobicContact CG1-CD1 4.41Å
62I89.7Confident81.6Confident145 Ų14563.4 Ų63.474%0.74434%0.341SS*.Hα-helixtrans-63.2-42.1-173.8-61172000111.6G60 C65 S66G60-I62 PolarHBondContact O-N 2.91Å; I62-C65 PolarHBondContact O-N 3.3Å; I62-S66 WeakPolarHBondContact O-CB 3.29Å; I62-S66 PolarHBondContact O-N 2.94Å
63K89.4Confident82Confident129 Ų12963.8 Ų63.856%0.56135%0.35SS*.Hα-helixtrans-65.7-40.3178.6-67.4-166.9-172.1171.20111.7P59 G60 V61 S66 S67 L195P59-K63 HydrophobicContact CB-CB 4.25Å; P59-K63 HydrophobicContact CB-CD 4.17Å; P59-K63 VanDerWaalsContact O-CD 3.31Å; P59-K63 WeakPolarHBondContact O-CD 3.2Å; G60-K63 PolarHBondContact O-N 2.54Å; V61-K63 PolarHBondContact O-N 2.87Å; K63-S66 PolarHBondContact O-N 3.11Å; K63-S67 WeakPolarHBondContact O-CB 3.42Å; K63-S67 PolarHBondContact O-N 3.09Å; K63-L195 HydrophobicContact CB-CD1 4.32Å
64I88.1Confident83.2Confident2 Ų266.2 Ų66.21%0.0136%0.363CS..Hα-helixtrans-64.1-47.6175.3-64.2167.6000109.9I47 Y50 Y58 P59 G60 V61 S66 S67 V68 L195I47-I64 HydrophobicContact CG1-CB 4.25Å; I47-I64 HydrophobicContact CG1-CD1 3.86Å; I47-I64 HydrophobicContact CG1-CG2 3.93Å; Y50-I64 HydrophobicContact CD1-CD1 4.37Å; Y50-I64 HydrophobicContact CD2-CD1 3.86Å; Y50-I64 HydrophobicContact CD2-CG1 4.16Å; Y50-I64 HydrophobicContact CE2-CD1 4.33Å; Y50-I64 HydrophobicContact CE2-CG1 4.3Å; Y50-I64 HydrophobicContact CG-CD1 3.87Å; Y58-I64 HydrophobicContact CD2-CD1 4.18Å; Y58-I64 HydrophobicContact CE2-CD1 3.51Å; P59-I64 HydrophobicContact CG-CD1 4.16Å; P59-I64 HydrophobicContact CG-CG1 3.88Å; G60-I64 WeakPolarHBondContact O-CG1 3.11Å; G60-I64 PolarHBondContact O-N 2.99Å; V61-I64 PolarHBondContact O-N 3.32Å; I64-S66 VanDerWaalsContact C-N 3.34Å; I64-S66 PolarHBondContact O-N 3.25Å; I64-S67 PolarHBondContact O-N 2.97Å; I64-V68 HydrophobicContact CG2-CG2 4.32Å; I64-V68 WeakPolarHBondContact O-CG2 3.37Å; I64-V68 PolarHBondContact O-N 3.21Å; I64-L195 HydrophobicContact CG1-CD2 3.83Å
65C88.9Confident84.1Confident23 Ų2369 Ų6916%0.15537%0.374CS..Hα-helixtrans-57.8-46.6177.4-64.70000112L43 V61 I62 V68 I69L43-C65 HydrophobicContact CD2-CB 4.17Å; V61-C65 PolarHBondContact O-N 3.35Å; V61-C65 PolarHBondContact O-SG 3.17Å; I62-C65 PolarHBondContact O-N 3.3Å; C65-V68 PolarHBondContact O-N 3.4Å; C65-I69 WeakPolarHBondContact O-CG1 3.35Å; C65-I69 PolarHBondContact O-N 2.89Å
66S91.1Very high85.3Confident71 Ų7166.6 Ų66.650%0.49735%0.349SS..Hα-helixtrans-61.7-43.5177.1-176.80000111.7I62 K63 I64 I69 R70I62-S66 WeakPolarHBondContact O-CB 3.29Å; I62-S66 PolarHBondContact O-N 2.94Å; K63-S66 PolarHBondContact O-N 3.11Å; I64-S66 VanDerWaalsContact C-N 3.34Å; I64-S66 PolarHBondContact O-N 3.25Å; S66-I69 PolarHBondContact O-N 3.4Å; S66-R70 WeakPolarHBondContact O-CB 3.27Å; S66-R70 PolarHBondContact O-N 3.26Å
67S87.7Confident86.3Confident4 Ų465.3 Ų65.33%0.02834%0.34CS..Hα-helixtrans-61.9-44.4176.3-174.10000112K63 I64 R70 N71 S191K63-S67 WeakPolarHBondContact O-CB 3.42Å; K63-S67 PolarHBondContact O-N 3.09Å; I64-S67 PolarHBondContact O-N 2.97Å; S67-R70 PolarHBondContact O-N 3Å; S67-N71 WeakPolarHBondContact O-CB 3.48Å; S67-N71 VanDerWaalsContact O-CG 3.31Å; S67-N71 PolarHBondContact O-N 3Å; S67-N71 PolarHBondContact O-ND2 3.48Å; S67-N71 PolarHBondContact OG-ND2 2.77Å; S67-S191 WeakPolarHBondContact CB-OG 3.26Å; S67-S191 PolarHBondContact OG-O 2.8Å; S67-S191 PolarHBondContact OG-OG 2.94Å
68V87.3Confident87.1Confident1 Ų164.9 Ų64.91%0.00632%0.322CS..Hα-helixtrans-61.7-48.2177.7171.80000110.7L43 I64 C65 R70 E72 G73 L77L43-V68 HydrophobicContact CD2-CB 4.39Å; L43-V68 HydrophobicContact CD2-CG1 4.41Å; I64-V68 HydrophobicContact CG2-CG2 4.32Å; I64-V68 WeakPolarHBondContact O-CG2 3.37Å; I64-V68 PolarHBondContact O-N 3.21Å; C65-V68 PolarHBondContact O-N 3.4Å; V68-R70 PolarHBondContact O-N 3.42Å; V68-E72 WeakPolarHBondContact O-CA 3.44Å; V68-E72 VanDerWaalsContact O-CB 3.24Å; V68-E72 WeakPolarHBondContact O-CB 3.2Å; V68-E72 PolarHBondContact O-N 3.17Å; V68-G73 PolarHBondContact O-N 3.41Å; V68-L77 HydrophobicContact CG1-CD2 3.84Å
69I89Confident87.4Confident80 Ų8062.7 Ų62.741%0.4132%0.315SS..Hα-helixtrans-65.3-42.6-179-66.2167.8000110.9C65 S66 G73 L77C65-I69 WeakPolarHBondContact O-CG1 3.35Å; C65-I69 PolarHBondContact O-N 2.89Å; S66-I69 PolarHBondContact O-N 3.4Å; I69-G73 WeakPolarHBondContact O-CA 3.38Å; I69-G73 PolarHBondContact O-N 3.43Å; I69-G73 VanDerWaalsContact O-N 3.1Å; I69-L77 HydrophobicContact CG1-CD1 4.38Å
70R87.7Confident87.7Confident194 Ų19461.6 Ų61.673%0.73231%0.309SS*.Hα-helixtrans-70.9-39.1-177.9-172.7175.8-178.7176.70.4112.9S66 S67 V68S66-R70 WeakPolarHBondContact O-CB 3.27Å; S66-R70 PolarHBondContact O-N 3.26Å; S67-R70 PolarHBondContact O-N 3Å; V68-R70 PolarHBondContact O-N 3.42Å
71N84.7Confident88Confident59 Ų5962.1 Ų62.132%0.31631%0.306SS..Hα-helixtrans-95.9-34.1-172.6-63.4-45.4000113.5S67 H194S67-N71 WeakPolarHBondContact O-CB 3.48Å; S67-N71 VanDerWaalsContact O-CG 3.31Å; S67-N71 PolarHBondContact O-N 3Å; S67-N71 PolarHBondContact O-ND2 3.48Å; S67-N71 PolarHBondContact OG-ND2 2.77Å; N71-H194 VanDerWaalsContact ND2-CB 3.33Å; N71-H194 WeakPolarHBondContact ND2-CB 3.31Å; N71-H194 PolarHBondContact ND2-CD2 2.8Å; N71-H194 VanDerWaalsContact ND2-CD2 3.26Å
72E83Confident88.2Confident15 Ų1563.5 Ų63.57%0.0732%0.318CS..Hα-helixtrans-97.5-29.1-179.9-55.2-176.4-152.400112.2R46 V68 K76 R187R46-E72 IonicContact CZ-OE1 2.98Å; R46-E72 IonicContact CZ-OE2 2.87Å; R46-E72 IonicContact NE-OE1 3.22Å; R46-E72 PolarHBondContact NE-OE1 2.74Å; R46-E72 IonicContact NE-OE2 3.45Å; R46-E72 IonicContact NH2-OE1 3.74Å; R46-E72 PolarHBondContact NH2-OE1 2.9Å; R46-E72 IonicContact NH2-OE2 2.67Å; R46-E72 PolarHBondContact NH2-OE2 2.97Å; V68-E72 WeakPolarHBondContact O-CA 3.44Å; V68-E72 VanDerWaalsContact O-CB 3.24Å; V68-E72 WeakPolarHBondContact O-CB 3.2Å; V68-E72 PolarHBondContact O-N 3.17Å; E72-K76 HydrophobicContact CB-CB 3.96Å; E72-K76 HydrophobicContact CB-CG 4.15Å; E72-K76 WeakPolarHBondContact O-CG 3.37Å; E72-R187 HydrophobicContact CG-CB 4.47Å
73G86Confident88.3Confident29 Ų2956.6 Ų56.630%0.29928%0.283SS..  trans89.8154.5-174.800000113.4V68 I69 F75 K76V68-G73 PolarHBondContact O-N 3.41Å; I69-G73 WeakPolarHBondContact O-CA 3.38Å; I69-G73 PolarHBondContact O-N 3.43Å; I69-G73 VanDerWaalsContact O-N 3.1Å; G73-F75 PolarHBondContact O-N 2.95Å; G73-K76 WeakPolarHBondContact O-CB 3.29Å; G73-K76 PolarHBondContact O-N 3.48Å; G73-K76 VanDerWaalsContact O-N 3.13Å
74L88Confident88.4Confident97 Ų9750.4 Ų50.451%0.50826%0.256SS..G310 helixtrans-58.3-43.8-173.3-173.969.5000113.4K76 L77 W78L74-K76 PolarHBondContact O-N 3.24Å; L74-K76 VanDerWaalsContact O-N 3.13Å; L74-L77 HydrophobicContact CD1-CD1 3.86Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 WeakPolarHBondContact O-CG 3.31Å; L74-L77 PolarHBondContact O-N 2.7Å; L74-L77 VanDerWaalsContact O-N 3.09Å; L74-W78 HydrophobicContact CG-CZ3 4.43Å
75F87.7Confident88.7Confident183 Ų18352 Ų5280%0.80326%0.264SS*.G310 helixtrans-64.3-19.2-178.6-67.2-68.1000113.8G73 L77 W78G73-F75 PolarHBondContact O-N 2.95Å; F75-L77 PolarHBondContact O-N 3.18Å; F75-W78 PolarHBondContact O-N 2.91Å
76K85.3Confident88.9Confident60 Ų6055 Ų5526%0.26128%0.275SS..G310 helixtrans-74.2-14177.2-62.7-56.9-177.9-178.50113.1I42 E72 G73 L74 W78 Q79I42-K76 WeakPolarHBondContact CD1-O 3.39Å; E72-K76 HydrophobicContact CB-CB 3.96Å; E72-K76 HydrophobicContact CB-CG 4.15Å; E72-K76 WeakPolarHBondContact O-CG 3.37Å; G73-K76 WeakPolarHBondContact O-CB 3.29Å; G73-K76 PolarHBondContact O-N 3.48Å; G73-K76 VanDerWaalsContact O-N 3.13Å; L74-K76 PolarHBondContact O-N 3.24Å; L74-K76 VanDerWaalsContact O-N 3.13Å; K76-W78 PolarHBondContact O-N 3.29Å; K76-W78 VanDerWaalsContact O-N 3.11Å; K76-Q79 VanDerWaalsContact O-CB 3.28Å; K76-Q79 WeakPolarHBondContact O-CB 3.3Å; K76-Q79 PolarHBondContact O-N 2.95Å
77L88.7Confident88.9Confident8 Ų853.2 Ų53.24%0.04226%0.257CS..G310 helixtrans-61.2-21172.8-64.2173.9000112.3Y38 P39 I42 L43 V68 I69 L74 F75Y38-L77 WeakPolarHBondContact CD1-O 3.31Å; Y38-L77 WeakPolarHBondContact CE1-O 3.17Å; P39-L77 HydrophobicContact CB-CB 4.05Å; P39-L77 HydrophobicContact CB-CD1 4.11Å; P39-L77 HydrophobicContact CG-CB 4.22Å; I42-L77 HydrophobicContact CG2-CB 4.14Å; I42-L77 HydrophobicContact CG2-CD2 3.55Å; I42-L77 HydrophobicContact CG2-CG 4.46Å; I42-L77 WeakPolarHBondContact CG2-O 3.38Å; L43-L77 HydrophobicContact CD2-CD2 4.21Å; L43-L77 HydrophobicContact CG-CD2 4.32Å; V68-L77 HydrophobicContact CG1-CD2 3.84Å; I69-L77 HydrophobicContact CG1-CD1 4.38Å; L74-L77 HydrophobicContact CD1-CD1 3.86Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 WeakPolarHBondContact O-CG 3.31Å; L74-L77 PolarHBondContact O-N 2.7Å; L74-L77 VanDerWaalsContact O-N 3.09Å; F75-L77 PolarHBondContact O-N 3.18Å
78W91.5Very high89.1Confident93 Ų9353.4 Ų53.435%0.35226%0.257SS..G310 helixtrans-92.910.4174-70.2-86.1000114.7T35 P39 L74 F75 K76 G80 L81T35-W78 PolarHBondContact O-NE1 3.13Å; P39-W78 HydrophobicContact CG-CH2 4.16Å; P39-W78 HydrophobicContact CG-CZ2 3.77Å; L74-W78 HydrophobicContact CG-CZ3 4.43Å; F75-W78 PolarHBondContact O-N 2.91Å; K76-W78 PolarHBondContact O-N 3.29Å; K76-W78 VanDerWaalsContact O-N 3.11Å; W78-G80 PolarHBondContact O-N 3.49Å; W78-L81 WeakPolarHBondContact O-CB 3.23Å; W78-L81 PolarHBondContact O-N 3.01Å; W78-L81 VanDerWaalsContact O-N 3.11Å
79Q87.4Confident89.3Confident27 Ų2756.6 Ų56.613%0.12627%0.274CS..THydrogen-bonded Turntrans-66121.9174.7-176.7173.53.400110.4Y38 I42 K76 E186 R187Y38-Q79 WeakPolarHBondContact CE1-O 3.29Å; Y38-Q79 PolarHBondContact OH-O 3.46Å; Y38-Q79 VanDerWaalsContact OH-O 3.09Å; I42-Q79 HydrophobicContact CD1-CB 4.38Å; K76-Q79 VanDerWaalsContact O-CB 3.28Å; K76-Q79 WeakPolarHBondContact O-CB 3.3Å; K76-Q79 PolarHBondContact O-N 2.95Å; Q79-E186 PolarHBondContact NE2-OE2 3.13Å; Q79-R187 VanDerWaalsContact OE1-CD 3.29Å
80G87.5Confident89.4Confident8 Ų855.5 Ų55.58%0.08227%0.268CS..THydrogen-bonded Turntrans91.210.3-175.300000113.9Y38 W78 S82 P83 A84Y38-G80 VanDerWaalsContact CZ-C 3.41Å; Y38-G80 VanDerWaalsContact OH-CA 3.26Å; Y38-G80 WeakPolarHBondContact OH-CA 3.39Å; Y38-G80 PolarHBondContact OH-O 2.65Å; W78-G80 PolarHBondContact O-N 3.49Å; G80-S82 VanDerWaalsContact C-N 3.27Å; G80-S82 PolarHBondContact O-N 2.89Å; G80-P83 WeakPolarHBondContact O-CD 3.25Å; G80-P83 WeakPolarHBondContact O-CG 3.45Å; G80-A84 PolarHBondContact O-N 3.27Å
81L91.5Very high89.5Confident33 Ų3347.8 Ų47.817%0.17324%0.239CC..Hα-helixtrans-59.6-39.6174.2-17965000111.4T35 Y38 W78 A84 L85T35-L81 HydrophobicContact CG2-CD2 4.13Å; Y38-L81 HydrophobicContact CD2-CD1 3.74Å; Y38-L81 HydrophobicContact CE1-CB 4.45Å; Y38-L81 HydrophobicContact CE2-CD1 4.28Å; Y38-L81 HydrophobicContact CG-CD1 3.9Å; Y38-L81 PolarHBondContact OH-N 3.35Å; W78-L81 WeakPolarHBondContact O-CB 3.23Å; W78-L81 PolarHBondContact O-N 3.01Å; W78-L81 VanDerWaalsContact O-N 3.11Å; L81-A84 WeakPolarHBondContact O-CA 3.42Å; L81-A84 WeakPolarHBondContact O-CB 3.05Å; L81-A84 PolarHBondContact O-N 3.33Å; L81-L85 HydrophobicContact CD1-CD1 4.39Å; L81-L85 HydrophobicContact CD1-CD2 4.16Å; L81-L85 HydrophobicContact CD1-CG 4.06Å; L81-L85 HydrophobicContact CD2-CD1 4.36Å; L81-L85 HydrophobicContact CG-CD1 3.99Å; L81-L85 HydrophobicContact CG-CG 4.07Å; L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 3.37Å
82S91.6Very high89.7Confident72 Ų7245.8 Ų45.850%0.50323%0.229SC..Hα-helixtrans-59-50.6-178.655.30000114.7G80 A84 L85 F86G80-S82 VanDerWaalsContact C-N 3.27Å; G80-S82 PolarHBondContact O-N 2.89Å; S82-A84 PolarHBondContact O-N 2.91Å; S82-L85 PolarHBondContact O-N 3.45Å; S82-F86 WeakPolarHBondContact O-CB 3.46Å; S82-F86 PolarHBondContact O-N 2.96Å
83P91.7Very high89.9Confident0 Ų046.6 Ų46.60%024%0.242CC..Hα-helixtrans-63.2-31.9172.924.9-34.9000111.9G80 F86 R87 I176 I179 K180 L183 F215G80-P83 WeakPolarHBondContact O-CD 3.25Å; G80-P83 WeakPolarHBondContact O-CG 3.45Å; P83-F86 PolarHBondContact O-N 3.44Å; P83-R87 VanDerWaalsContact O-CB 3.27Å; P83-R87 WeakPolarHBondContact O-CB 2.9Å; P83-R87 PolarHBondContact O-N 2.83Å; P83-I176 HydrophobicContact CB-CG2 3.93Å; P83-I176 WeakPolarHBondContact O-CG2 3.28Å; P83-I179 HydrophobicContact CB-CG2 4.24Å; P83-I179 HydrophobicContact CG-CG2 4.43Å; P83-K180 HydrophobicContact CB-CB 4.15Å; P83-K180 HydrophobicContact CG-CB 4.08Å; P83-L183 HydrophobicContact CG-CD1 4Å; P83-F215 HydrophobicContact CB-CD2 3.9Å; P83-F215 HydrophobicContact CB-CE2 3.95Å; P83-F215 HydrophobicContact CG-CD2 4.42Å
84A92.2Very high90Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-66.1-39.5177.900000113E34 Y38 G80 L81 S82 R87 H88 K180E34-A84 HydrophobicContact CG-CB 4.1Å; Y38-A84 HydrophobicContact CD2-CB 4.17Å; Y38-A84 HydrophobicContact CE2-CB 3.48Å; Y38-A84 VanDerWaalsContact CE2-CB 3.48Å; G80-A84 PolarHBondContact O-N 3.27Å; L81-A84 WeakPolarHBondContact O-CA 3.42Å; L81-A84 WeakPolarHBondContact O-CB 3.05Å; L81-A84 PolarHBondContact O-N 3.33Å; S82-A84 PolarHBondContact O-N 2.91Å; A84-R87 WeakPolarHBondContact O-CB 3.26Å; A84-H88 PolarHBondContact O-CD2 3.29Å; A84-H88 VanDerWaalsContact O-CD2 3.27Å; A84-K180 HydrophobicContact CB-CD 3.8Å; A84-K180 HydrophobicContact CB-CG 4.44Å
85L94.1Very high89.9Confident34 Ų3445.1 Ų45.118%0.17822%0.223CC..Hα-helixtrans-69.2-45.3172.7-61.8-179.2000111.2F31 E34 L81 S82 R87 H88F31-L85 HydrophobicContact CB-CD2 3.82Å; F31-L85 HydrophobicContact CD1-CB 4.33Å; F31-L85 HydrophobicContact CD1-CD2 3.92Å; F31-L85 HydrophobicContact CD2-CB 4.43Å; F31-L85 HydrophobicContact CD2-CD1 4.44Å; F31-L85 HydrophobicContact CD2-CD2 4.23Å; F31-L85 HydrophobicContact CE1-CB 4.18Å; F31-L85 WeakPolarHBondContact CE1-O 3.14Å; F31-L85 HydrophobicContact CE2-CB 4.25Å; F31-L85 HydrophobicContact CG-CB 4.47Å; F31-L85 HydrophobicContact CG-CD2 3.73Å; F31-L85 HydrophobicContact CZ-CB 4.12Å; E34-L85 HydrophobicContact CB-CD2 4.22Å; E34-L85 HydrophobicContact CG-CD2 4.47Å; L81-L85 HydrophobicContact CD1-CD1 4.39Å; L81-L85 HydrophobicContact CD1-CD2 4.16Å; L81-L85 HydrophobicContact CD1-CG 4.06Å; L81-L85 HydrophobicContact CD2-CD1 4.36Å; L81-L85 HydrophobicContact CG-CD1 3.99Å; L81-L85 HydrophobicContact CG-CG 4.07Å; L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 3.37Å; S82-L85 PolarHBondContact O-N 3.45Å; L85-R87 PolarHBondContact O-N 3.1Å; L85-H88 WeakPolarHBondContact O-CB 3.46Å; L85-H88 PolarHBondContact O-N 3.31Å
86F92.8Very high89.7Confident88 Ų8840.7 Ų40.739%0.38621%0.206SC..Hα-helixtrans-61-35.2177.7-168.6-107.8000112.3S82 P83 H88 I89 I90 I176S82-F86 WeakPolarHBondContact O-CB 3.46Å; S82-F86 PolarHBondContact O-N 2.96Å; P83-F86 PolarHBondContact O-N 3.44Å; F86-H88 VanDerWaalsContact C-N 3.27Å; F86-H88 PolarHBondContact O-N 3.1Å; F86-I89 HydrophobicContact CD2-CD1 4.23Å; F86-I89 WeakPolarHBondContact O-CB 3.39Å; F86-I89 PolarHBondContact O-N 2.99Å; F86-I89 VanDerWaalsContact O-N 3.13Å; F86-I90 HydrophobicContact CD1-CG1 4.16Å; F86-I90 HydrophobicContact CE1-CD1 4.05Å; F86-I90 HydrophobicContact CE1-CG1 3.81Å; F86-I90 HydrophobicContact CZ-CD1 4.03Å; F86-I90 HydrophobicContact CZ-CG1 4.24Å; F86-I90 PolarHBondContact O-N 3.17Å; F86-I176 HydrophobicContact CB-CG2 4.49Å; F86-I176 HydrophobicContact CD1-CD1 3.58Å; F86-I176 HydrophobicContact CD1-CG1 3.82Å; F86-I176 HydrophobicContact CD1-CG2 4.16Å; F86-I176 HydrophobicContact CE1-CD1 3.72Å; F86-I176 HydrophobicContact CE1-CG1 4.11Å
87R92Very high89.6Confident32 Ų3241 Ų4112%0.12122%0.215CC..Hα-helixtrans-57-40173.5-174.5-165.565.275.4-0.5111.7E34 P83 A84 L85 I89 I90 Y91 A173 I176 D177E34-R87 IonicContact OE2-NH2 2.77Å; P83-R87 VanDerWaalsContact O-CB 3.27Å; P83-R87 WeakPolarHBondContact O-CB 2.9Å; P83-R87 PolarHBondContact O-N 2.83Å; A84-R87 WeakPolarHBondContact O-CB 3.26Å; L85-R87 PolarHBondContact O-N 3.1Å; R87-I89 VanDerWaalsContact C-N 3.29Å; R87-I89 PolarHBondContact O-N 3.14Å; R87-I90 PolarHBondContact O-N 3.17Å; R87-Y91 WeakPolarHBondContact O-CB 3.24Å; R87-Y91 PolarHBondContact O-N 3.44Å; R87-A173 HydrophobicContact CG-CB 4.18Å; R87-I176 HydrophobicContact CB-CB 4.45Å; R87-I176 HydrophobicContact CB-CG2 3.79Å; R87-D177 WeakPolarHBondContact CD-OD1 3.42Å; R87-D177 IonicContact NE-OD1 3.93Å
88H91.5Very high89.5Confident8 Ų842.2 Ų42.24%0.03722%0.221CC..Hα-helixtrans-64.6-34.2179-76.9-66.3000112.1A30 F31 E34 A84 L85 F86 T92A30-H88 HydrophobicContact CB-CB 4.37Å; F31-H88 HydrophobicContact CD1-CB 4.13Å; F31-H88 HydrophobicContact CE1-CB 3.8Å; E34-H88 IonicContact OE2-CD2 3.95Å; E34-H88 IonicContact OE2-CE1 3.7Å; E34-H88 IonicContact OE2-NE2 2.74Å; E34-H88 PolarHBondContact OE2-NE2 3.08Å; A84-H88 PolarHBondContact O-CD2 3.29Å; A84-H88 VanDerWaalsContact O-CD2 3.27Å; L85-H88 WeakPolarHBondContact O-CB 3.46Å; L85-H88 PolarHBondContact O-N 3.31Å; F86-H88 VanDerWaalsContact C-N 3.27Å; F86-H88 PolarHBondContact O-N 3.1Å; H88-T92 WeakPolarHBondContact O-CB 3.41Å; H88-T92 PolarHBondContact O-N 3.01Å; H88-T92 PolarHBondContact O-OG1 3.05Å
89I91.6Very high89.1Confident68 Ų6840.1 Ų40.135%0.34921%0.213SC..Hα-helixtrans-64.2-53174-56.7177.9000110.1F23 F31 F86 R87 G93F23-I89 HydrophobicContact CZ-CG2 4.23Å; F31-I89 HydrophobicContact CE1-CG1 4.09Å; F31-I89 HydrophobicContact CZ-CD1 3.91Å; F31-I89 HydrophobicContact CZ-CG1 3.68Å; F86-I89 HydrophobicContact CD2-CD1 4.23Å; F86-I89 WeakPolarHBondContact O-CB 3.39Å; F86-I89 PolarHBondContact O-N 2.99Å; F86-I89 VanDerWaalsContact O-N 3.13Å; R87-I89 VanDerWaalsContact C-N 3.29Å; R87-I89 PolarHBondContact O-N 3.14Å; I89-G93 WeakPolarHBondContact O-CA 3.33Å; I89-G93 PolarHBondContact O-N 3.43Å
90I91.6Very high88.8Confident58 Ų5841.2 Ų41.230%0.29722%0.218SC..Hα-helixtrans-65.6-47.1-177.8-58.6-58.4000111.1F86 R87 G93 A94 A173F86-I90 HydrophobicContact CD1-CG1 4.16Å; F86-I90 HydrophobicContact CE1-CD1 4.05Å; F86-I90 HydrophobicContact CE1-CG1 3.81Å; F86-I90 HydrophobicContact CZ-CD1 4.03Å; F86-I90 HydrophobicContact CZ-CG1 4.24Å; F86-I90 PolarHBondContact O-N 3.17Å; R87-I90 PolarHBondContact O-N 3.17Å; I90-G93 PolarHBondContact O-N 2.93Å; I90-A94 VanDerWaalsContact O-CB 3.3Å; I90-A94 WeakPolarHBondContact O-CB 3.09Å; I90-A94 PolarHBondContact O-N 2.96Å; I90-A173 HydrophobicContact CG2-CB 4.27Å
91Y90.3Very high88.6Confident32 Ų3245.2 Ų45.213%0.12524%0.237CC..Hα-helixtrans-64.6-51.1-178.1179.1-98.5000111.6R87 G93 A94 R95 A169 Q170R87-Y91 WeakPolarHBondContact O-CB 3.24Å; R87-Y91 PolarHBondContact O-N 3.44Å; Y91-G93 VanDerWaalsContact C-N 3.32Å; Y91-G93 PolarHBondContact O-N 2.92Å; Y91-A94 PolarHBondContact O-N 3.27Å; Y91-R95 WeakPolarHBondContact O-CB 3.4Å; Y91-R95 PolarHBondContact O-N 3.28Å; Y91-R95 PolarHBondContact OH-NH1 2.89Å; Y91-A169 HydrophobicContact CD2-CB 3.84Å; Y91-A169 HydrophobicContact CE2-CB 3.88Å; Y91-Q170 VanDerWaalsContact CD2-OE1 3.31Å; Y91-Q170 HydrophobicContact CE2-CB 4.31Å
92T87.2Confident88.2Confident17 Ų1744.5 Ų44.510%0.10423%0.233CC..Hα-helixtrans-68.5-37-179.5-50.70000110.6F23 C26 H88 A94 R95 M96F23-T92 HydrophobicContact CD2-CG2 3.75Å; F23-T92 HydrophobicContact CE2-CG2 3.91Å; C26-T92 HydrophobicContact CB-CG2 4.43Å; H88-T92 WeakPolarHBondContact O-CB 3.41Å; H88-T92 PolarHBondContact O-N 3.01Å; H88-T92 PolarHBondContact O-OG1 3.05Å; T92-A94 VanDerWaalsContact C-N 3.32Å; T92-A94 PolarHBondContact O-N 2.81Å; T92-R95 PolarHBondContact O-N 3.21Å; T92-M96 HydrophobicContact CG2-CE 4.44Å; T92-M96 HydrophobicContact CG2-CG 4.13Å; T92-M96 WeakPolarHBondContact O-CG 3.46Å; T92-M96 PolarHBondContact O-N 3.28Å; T92-M96 VanDerWaalsContact O-N 3.09Å
93G87.5Confident87.6Confident32 Ų3241.4 Ų41.433%0.3321%0.21SC..Hα-helixtrans-69.2-29.9-178.900000112.7I89 I90 Y91 P97I89-G93 WeakPolarHBondContact O-CA 3.33Å; I89-G93 PolarHBondContact O-N 3.43Å; I90-G93 PolarHBondContact O-N 2.93Å; Y91-G93 VanDerWaalsContact C-N 3.32Å; Y91-G93 PolarHBondContact O-N 2.92Å; G93-P97 WeakPolarHBondContact O-CD 3.48Å; G93-P97 VanDerWaalsContact O-CG 3.24Å; G93-P97 WeakPolarHBondContact O-CG 3.28Å
94A88.7Confident87Confident14 Ų1445.4 Ų45.412%0.11623%0.229CC..Hα-helixtrans-83.7-44.9170.900000112.1I90 Y91 T92 M96 P97 I98 A169 L172I90-A94 VanDerWaalsContact O-CB 3.3Å; I90-A94 WeakPolarHBondContact O-CB 3.09Å; I90-A94 PolarHBondContact O-N 2.96Å; Y91-A94 PolarHBondContact O-N 3.27Å; T92-A94 VanDerWaalsContact C-N 3.32Å; T92-A94 PolarHBondContact O-N 2.81Å; A94-M96 PolarHBondContact O-N 2.71Å; A94-P97 WeakPolarHBondContact O-CD 3.47Å; A94-I98 HydrophobicContact CB-CD1 4.16Å; A94-I98 WeakPolarHBondContact O-CB 2.92Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 WeakPolarHBondContact O-CG1 3.37Å; A94-I98 PolarHBondContact O-N 2.96Å; A94-A169 HydrophobicContact CB-CB 3.86Å; A94-L172 HydrophobicContact CB-CD1 3.87Å
95R85.4Confident86.2Confident80 Ų8050.5 Ų50.530%0.30226%0.256SS..Hα-helixtrans-61.4-45-174179.6178.8172.3139.30.7112.4Y91 T92 Y99 A169Y91-R95 WeakPolarHBondContact O-CB 3.4Å; Y91-R95 PolarHBondContact O-N 3.28Å; Y91-R95 PolarHBondContact OH-NH1 2.89Å; T92-R95 PolarHBondContact O-N 3.21Å; R95-Y99 WeakPolarHBondContact O-CB 3.41Å; R95-Y99 PolarHBondContact O-N 3.29Å; R95-A169 HydrophobicContact CB-CB 3.84Å
96M83.6Confident85.3Confident91 Ų9154.1 Ų54.145%0.44828%0.275SS..Hα-helixtrans-63.8-52.6-174.9-71.7-71.7-173.400112.4T92 A94 Y99 E100T92-M96 HydrophobicContact CG2-CE 4.44Å; T92-M96 HydrophobicContact CG2-CG 4.13Å; T92-M96 WeakPolarHBondContact O-CG 3.46Å; T92-M96 PolarHBondContact O-N 3.28Å; T92-M96 VanDerWaalsContact O-N 3.09Å; A94-M96 PolarHBondContact O-N 2.71Å; M96-Y99 PolarHBondContact O-N 2.77Å; M96-E100 PolarHBondContact O-N 3.26Å; M96-E100 VanDerWaalsContact O-N 3.14Å
97P83.6Confident84.5Confident67 Ų6752.9 Ų52.944%0.43527%0.269SS..Hα-helixtrans-63-43.3176.4-23.735.1000113.3G93 A94 Y99 E100 I101G93-P97 WeakPolarHBondContact O-CD 3.48Å; G93-P97 VanDerWaalsContact O-CG 3.24Å; G93-P97 WeakPolarHBondContact O-CG 3.28Å; A94-P97 WeakPolarHBondContact O-CD 3.47Å; P97-Y99 VanDerWaalsContact C-N 3.32Å; P97-Y99 PolarHBondContact O-N 3.43Å; P97-E100 PolarHBondContact O-N 2.79Å; P97-I101 VanDerWaalsContact O-CG1 3.3Å; P97-I101 WeakPolarHBondContact O-CG1 3.48Å; P97-I101 PolarHBondContact O-N 2.78Å
98I86.5Confident83.6Confident33 Ų3358.8 Ų58.817%0.16930%0.298CS..Hα-helixtrans-64.7-40.7-178.3-64.4167.8000110.7A94 E100 I101 I102 A165 F168A94-I98 HydrophobicContact CB-CD1 4.16Å; A94-I98 WeakPolarHBondContact O-CB 2.92Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 WeakPolarHBondContact O-CG1 3.37Å; A94-I98 PolarHBondContact O-N 2.96Å; I98-E100 VanDerWaalsContact C-N 3.33Å; I98-E100 PolarHBondContact O-N 3.15Å; I98-I101 PolarHBondContact O-N 2.97Å; I98-I102 HydrophobicContact CG2-CD1 3.61Å; I98-I102 HydrophobicContact CG2-CG1 4.22Å; I98-I102 WeakPolarHBondContact O-CB 3.44Å; I98-I102 VanDerWaalsContact O-CG1 3.29Å; I98-I102 WeakPolarHBondContact O-CG1 3.06Å; I98-I102 PolarHBondContact O-N 3.39Å; I98-A165 HydrophobicContact CB-CB 4.19Å; I98-A165 HydrophobicContact CG2-CB 3.71Å; I98-F168 HydrophobicContact CD1-CB 4.36Å; I98-F168 HydrophobicContact CD1-CD1 3.28Å; I98-F168 HydrophobicContact CD1-CE1 3.85Å; I98-F168 HydrophobicContact CD1-CG 4.16Å
99Y83.8Confident82.5Confident49 Ų4958.8 Ų58.819%0.19230%0.298CS..Hα-helixtrans-60.1-45.6175.2-178.5-97.6000110.9R95 M96 P97 R103 A112 T161 A165R95-Y99 WeakPolarHBondContact O-CB 3.41Å; R95-Y99 PolarHBondContact O-N 3.29Å; M96-Y99 PolarHBondContact O-N 2.77Å; P97-Y99 VanDerWaalsContact C-N 3.32Å; P97-Y99 PolarHBondContact O-N 3.43Å; Y99-R103 VanDerWaalsContact CZ-CD 3.44Å; Y99-R103 WeakPolarHBondContact O-CB 3.41Å; Y99-R103 PolarHBondContact O-N 3.07Å; Y99-R103 WeakPolarHBondContact OH-CD 3.42Å; Y99-R103 PolarHBondContact OH-NE 3.39Å; Y99-A112 HydrophobicContact CE1-CB 4.45Å; Y99-T161 HydrophobicContact CD2-CG2 3.68Å; Y99-T161 HydrophobicContact CE2-CG2 3.82Å; Y99-T161 HydrophobicContact CG-CG2 4.4Å; Y99-A165 HydrophobicContact CD2-CB 4.48Å
100E81.2Confident81.2Confident50 Ų5058.4 Ų58.423%0.23430%0.3CS..Hα-helixtrans-66.3-42.7180-160.863.4-151.300112M96 P97 I98 R103 Q104M96-E100 PolarHBondContact O-N 3.26Å; M96-E100 VanDerWaalsContact O-N 3.14Å; P97-E100 PolarHBondContact O-N 2.79Å; I98-E100 VanDerWaalsContact C-N 3.33Å; I98-E100 PolarHBondContact O-N 3.15Å; E100-R103 PolarHBondContact O-N 3.25Å; E100-Q104 HydrophobicContact CG-CG 4.24Å; E100-Q104 WeakPolarHBondContact O-CB 3.05Å; E100-Q104 VanDerWaalsContact O-CG 3.32Å; E100-Q104 WeakPolarHBondContact O-CG 3.45Å; E100-Q104 PolarHBondContact O-N 2.74Å; E100-Q104 PolarHBondContact OE1-NE2 3.03Å
101I82.9Confident79.6Confident92 Ų9258 Ų5847%0.47230%0.301SS..Hα-helixtrans-59.7-54.3176.7-71167000110.8P97 I98 R103 Q104 D105P97-I101 VanDerWaalsContact O-CG1 3.3Å; P97-I101 WeakPolarHBondContact O-CG1 3.48Å; P97-I101 PolarHBondContact O-N 2.78Å; I98-I101 PolarHBondContact O-N 2.97Å; I101-R103 PolarHBondContact O-N 3.08Å; I101-Q104 PolarHBondContact O-N 3.24Å; I101-D105 VanDerWaalsContact O-CB 3.22Å; I101-D105 WeakPolarHBondContact O-CB 3.45Å; I101-D105 PolarHBondContact O-N 2.88Å
102I83Confident78Confident18 Ų1858.9 Ų58.99%0.09232%0.315CS..Iπ-helixtrans-61.3-40.1-179.9-65.5171.9000110.1I98 I106 F107 T161 I164 A165I98-I102 HydrophobicContact CG2-CD1 3.61Å; I98-I102 HydrophobicContact CG2-CG1 4.22Å; I98-I102 WeakPolarHBondContact O-CB 3.44Å; I98-I102 VanDerWaalsContact O-CG1 3.29Å; I98-I102 WeakPolarHBondContact O-CG1 3.06Å; I98-I102 PolarHBondContact O-N 3.39Å; I102-I106 HydrophobicContact CB-CD1 4.4Å; I102-I106 HydrophobicContact CG1-CD1 4.25Å; I102-I106 HydrophobicContact CG2-CB 4.45Å; I102-I106 HydrophobicContact CG2-CD1 4.1Å; I102-I106 VanDerWaalsContact O-CB 3.28Å; I102-I106 WeakPolarHBondContact O-CB 3.44Å; I102-I106 PolarHBondContact O-N 3.4Å; I102-I106 VanDerWaalsContact O-N 3.14Å; I102-F107 HydrophobicContact CG2-CD2 4.02Å; I102-F107 HydrophobicContact CG2-CE2 3.85Å; I102-F107 PolarHBondContact O-N 2.71Å; I102-T161 HydrophobicContact CB-CG2 3.62Å; I102-T161 HydrophobicContact CG2-CG2 3.34Å; I102-I164 HydrophobicContact CD1-CB 4.28Å; I102-I164 HydrophobicContact CD1-CG2 3.73Å; I102-A165 HydrophobicContact CD1-CB 4.34Å
103R79.1Confident76.2Confident6 Ų661.1 Ų61.12%0.02333%0.331CS..Iπ-helixtrans-69-40.9-176.4-172.1160.6178-79.3-4.9112.6Y99 E100 I101 H108 L109 P110 P111 T161Y99-R103 VanDerWaalsContact CZ-CD 3.44Å; Y99-R103 WeakPolarHBondContact O-CB 3.41Å; Y99-R103 PolarHBondContact O-N 3.07Å; Y99-R103 WeakPolarHBondContact OH-CD 3.42Å; Y99-R103 PolarHBondContact OH-NE 3.39Å; E100-R103 PolarHBondContact O-N 3.25Å; I101-R103 PolarHBondContact O-N 3.08Å; R103-H108 PolarHBondContact O-N 2.76Å; R103-L109 HydrophobicContact CG-CB 3.48Å; R103-L109 VanDerWaalsContact CG-CB 3.48Å; R103-L109 HydrophobicContact CG-CD1 4.42Å; R103-L109 HydrophobicContact CG-CD2 4.01Å; R103-L109 HydrophobicContact CG-CG 4.19Å; R103-L109 PolarHBondContact O-N 3.36Å; R103-P110 PolarHBondContact NH1-O 3.44Å; R103-P110 PolarHBondContact NH2-O 3Å; R103-P111 VanDerWaalsContact NH1-CA 3.32Å; R103-T161 HydrophobicContact CB-CG2 4.07Å
104Q78.9Confident73.9Confident85 Ų8566.6 Ų66.640%0.39735%0.348SS..Iπ-helixtrans-81.7-48.4179.6-68.2-176.5-7.700112.4E100 I101 H108E100-Q104 HydrophobicContact CG-CG 4.24Å; E100-Q104 WeakPolarHBondContact O-CB 3.05Å; E100-Q104 VanDerWaalsContact O-CG 3.32Å; E100-Q104 WeakPolarHBondContact O-CG 3.45Å; E100-Q104 PolarHBondContact O-N 2.74Å; E100-Q104 PolarHBondContact OE1-NE2 3.03Å; I101-Q104 PolarHBondContact O-N 3.24Å; Q104-H108 VanDerWaalsContact O-CA 3.23Å; Q104-H108 WeakPolarHBondContact O-CA 3.35Å; Q104-H108 PolarHBondContact O-N 3.48Å; Q104-H108 PolarHBondContact O-ND1 2.89Å; Q104-H108 VanDerWaalsContact O-ND1 3.08Å
105D75.8Confident71.4Confident106 Ų10671.3 Ų71.357%0.56737%0.366SS*.Iπ-helixtrans-82.8-37.8-169.1-64-15.1000112.3I101 H108I101-D105 VanDerWaalsContact O-CB 3.22Å; I101-D105 WeakPolarHBondContact O-CB 3.45Å; I101-D105 PolarHBondContact O-N 2.88Å; D105-H108 PolarHBondContact O-CE1 3.24Å
106I75.2Confident69.1Low111 Ų11172.7 Ų72.757%0.56938%0.384SS*.Iπ-helixtrans-92.1-41.6-174.8-62.5175.8000111.3I102I102-I106 HydrophobicContact CB-CD1 4.4Å; I102-I106 HydrophobicContact CG1-CD1 4.25Å; I102-I106 HydrophobicContact CG2-CB 4.45Å; I102-I106 HydrophobicContact CG2-CD1 4.1Å; I102-I106 VanDerWaalsContact O-CB 3.28Å; I102-I106 WeakPolarHBondContact O-CB 3.44Å; I102-I106 PolarHBondContact O-N 3.4Å; I102-I106 VanDerWaalsContact O-N 3.14Å
107F75.7Confident66.6Low62 Ų6274.2 Ų74.227%0.27240%0.398SS..THydrogen-bonded Turntrans-111.2-4.3-173.9-63.9-75.1000114.1I102 L109 Q157 T161I102-F107 HydrophobicContact CG2-CD2 4.02Å; I102-F107 HydrophobicContact CG2-CE2 3.85Å; I102-F107 PolarHBondContact O-N 2.71Å; F107-L109 HydrophobicContact CB-CD1 3.02Å; F107-L109 HydrophobicContact CB-CG 4.48Å; F107-L109 HydrophobicContact CG-CD1 4.04Å; F107-L109 WeakPolarHBondContact O-CD1 3.39Å; F107-L109 PolarHBondContact O-N 2.96Å; F107-L109 VanDerWaalsContact O-N 3.17Å; F107-Q157 HydrophobicContact CD1-CB 4Å; F107-Q157 HydrophobicContact CD1-CG 3.82Å; F107-Q157 HydrophobicContact CE1-CB 4.17Å; F107-Q157 HydrophobicContact CE1-CG 3.88Å; F107-Q157 HydrophobicContact CG-CB 4.35Å; F107-T161 WeakPolarHBondContact CD2-OG1 3.3Å; F107-T161 WeakPolarHBondContact CE2-OG1 3.06Å
108H73.1Confident64Low155 Ų15579.9 Ų79.972%0.71842%0.416SS*.  trans53.433.7-179.7-53.1-46.8000114.1R103 Q104 D105R103-H108 PolarHBondContact O-N 2.76Å; Q104-H108 VanDerWaalsContact O-CA 3.23Å; Q104-H108 WeakPolarHBondContact O-CA 3.35Å; Q104-H108 PolarHBondContact O-N 3.48Å; Q104-H108 PolarHBondContact O-ND1 2.89Å; Q104-H108 VanDerWaalsContact O-ND1 3.08Å; D105-H108 PolarHBondContact O-CE1 3.24Å
109L68.6Low61.2Low9 Ų982.3 Ų82.35%0.04744%0.436CS..PPolyproline II helixtrans-76.9138176.9-82.181000110.1R103 F107 F154 A158R103-L109 HydrophobicContact CG-CB 3.48Å; R103-L109 VanDerWaalsContact CG-CB 3.48Å; R103-L109 HydrophobicContact CG-CD1 4.42Å; R103-L109 HydrophobicContact CG-CD2 4.01Å; R103-L109 HydrophobicContact CG-CG 4.19Å; R103-L109 PolarHBondContact O-N 3.36Å; F107-L109 HydrophobicContact CB-CD1 3.02Å; F107-L109 HydrophobicContact CB-CG 4.48Å; F107-L109 HydrophobicContact CG-CD1 4.04Å; F107-L109 WeakPolarHBondContact O-CD1 3.39Å; F107-L109 PolarHBondContact O-N 2.96Å; F107-L109 VanDerWaalsContact O-N 3.17Å; L109-F154 HydrophobicContact CB-CD2 4.5Å; L109-F154 HydrophobicContact CB-CE2 3.84Å; L109-F154 HydrophobicContact CD2-CD2 3.44Å; L109-F154 VanDerWaalsContact CD2-CD2 3.44Å; L109-F154 HydrophobicContact CD2-CE1 4.27Å; L109-F154 HydrophobicContact CD2-CE2 3.13Å; L109-F154 HydrophobicContact CD2-CG 4.14Å; L109-F154 HydrophobicContact CD2-CZ 3.58Å; L109-F154 HydrophobicContact CG-CD2 3.56Å; L109-F154 HydrophobicContact CG-CE2 3.31Å; L109-F154 HydrophobicContact CG-CZ 4.22Å; L109-A158 HydrophobicContact CD2-CB 3.98Å
110P64Low58.5Low60 Ų6085.5 Ų85.539%0.3946%0.46SS..PPolyproline II helixtrans-59.7146.7172.324.9-36.2000111.4R103 F115 F154R103-P110 PolarHBondContact NH1-O 3.44Å; R103-P110 PolarHBondContact NH2-O 3Å; P110-F115 HydrophobicContact CG-CE2 3.85Å; P110-F115 HydrophobicContact CG-CZ 4.43Å; P110-F154 HydrophobicContact CG-CE2 4.4Å
111P58.6Low56Low48 Ų4891.3 Ų91.331%0.31249%0.485SS..PPolyproline II helixtrans-54.3147.4-171.221.3-33.2000113.1R103 S113 H114R103-P111 VanDerWaalsContact NH1-CA 3.32Å; P111-S113 PolarHBondContact O-N 3.47Å; P111-H114 HydrophobicContact CG-CB 4.4Å; P111-H114 WeakPolarHBondContact O-CB 3.34Å; P111-H114 PolarHBondContact O-N 3.39Å
112A56Low53.4Low52 Ų5294.3 Ų94.343%0.4350%0.502SS..G310 helixtrans-63.4-25.5-167.700000112Y99 H114Y99-A112 HydrophobicContact CE1-CB 4.45Å; A112-H114 VanDerWaalsContact C-N 3.27Å; A112-H114 PolarHBondContact O-N 2.98Å
113S49.6Very low50.8Low64 Ų6498.5 Ų98.545%0.44853%0.533SS..G310 helixtrans-66.6-20.9174.2490000114.9P111 F115 T116P111-S113 PolarHBondContact O-N 3.47Å; S113-F115 PolarHBondContact O-N 3.47Å; S113-T116 PolarHBondContact O-OG1 2.9Å
114H38Very low48.6Very low147 Ų147108.6 Ų108.668%0.68158%0.577SS**G310 helixtrans-75.8-7.2-175-142.1-87.2000113.3P111 A112P111-H114 HydrophobicContact CG-CB 4.4Å; P111-H114 WeakPolarHBondContact O-CB 3.34Å; P111-H114 PolarHBondContact O-N 3.39Å; A112-H114 VanDerWaalsContact C-N 3.27Å; A112-H114 PolarHBondContact O-N 2.98Å
115F36.8Very low46.3Very low112 Ų112109.6 Ų109.649%0.49159%0.594SS.*G310 helixtrans-101.19.8-177.7-83.2-79.7000115.3P110 S113 V117 F154P110-F115 HydrophobicContact CG-CE2 3.85Å; P110-F115 HydrophobicContact CG-CZ 4.43Å; S113-F115 PolarHBondContact O-N 3.47Å; F115-V117 VanDerWaalsContact C-N 3.28Å; F115-V117 PolarHBondContact O-N 3.13Å; F115-F154 HydrophobicContact CD2-CZ 4.1Å; F115-F154 AromaticContact CE2-CE1 3.92Å; F115-F154 HydrophobicContact CE2-CE1 3.92Å; F115-F154 AromaticContact CE2-CE2 3.93Å; F115-F154 HydrophobicContact CE2-CE2 3.93Å; F115-F154 AromaticContact CE2-CZ 3.27Å; F115-F154 HydrophobicContact CE2-CZ 3.27Å; F115-F154 AromaticContact CZ-CE1 3.97Å; F115-F154 HydrophobicContact CZ-CE1 3.97Å; F115-F154 HydrophobicContact CZ-CE2 4.15Å; F115-F154 AromaticContact CZ-CZ 3.64Å; F115-F154 HydrophobicContact CZ-CZ 3.64Å
116T36.2Very low44.1Very low110 Ų110111.8 Ų111.868%0.67561%0.605SS**SBendtrans-61103.5154.245.40000106.2S113 K118S113-T116 PolarHBondContact O-OG1 2.9Å; T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 3.05Å
117V32.5Very low42.1Very low123 Ų123116.3 Ų116.375%0.74562%0.621SS**  trans-56.195.5-177.7176.60000107.8F115 S119F115-V117 VanDerWaalsContact C-N 3.28Å; F115-V117 PolarHBondContact O-N 3.13Å; V117-S119 PolarHBondContact O-N 3.26Å
118K27.5Very low40.1Very low186 Ų186118.9 Ų118.981%0.80965%0.647SS**  trans-62.5105.3145.3-78.6-171.9177.8-1780103.5T116 T120T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 3.05Å; K118-T120 PolarHBondContact O-N 3.34Å
119S29.2Very low38.5Very low84 Ų84119.9 Ų119.959%0.58765%0.651SS**  trans-58.186.9168.4-179.60000106.9V117 K121V117-S119 PolarHBondContact O-N 3.26Å; S119-K121 PolarHBondContact O-N 2.95Å
120T26.6Very low37.3Very low116 Ų116126.3 Ų126.371%0.71269%0.691SS**  trans-77.559.5167.4-51.30000107.5K118 N122K118-T120 PolarHBondContact O-N 3.34Å; T120-N122 VanDerWaalsContact C-N 3.29Å; T120-N122 PolarHBondContact O-N 2.85Å
121K29Very low36.6Very low171 Ų171127 Ų12774%0.74369%0.69SS**  trans-78.791.6149.2-76.9-177.3176.5-177.90104.2S119S119-K121 PolarHBondContact O-N 2.95Å
122N28.3Very low36Very low156 Ų156129 Ų12983%0.83470%0.703SS**SBendtrans153.769.4160.2-78-6.7000109.9T120T120-N122 VanDerWaalsContact C-N 3.29Å; T120-N122 PolarHBondContact O-N 2.85Å
123S28.3Very low36.1Very low105 Ų105135.3 Ų135.373%0.73472%0.721SS**SBendtrans-16735153-136.20000114.7
124F32.9Very low36.2Very low218 Ų218140.3 Ų140.396%0.95674%0.737SS**  trans-130.852.9167.4-115.9-89000109.9
125S30.4Very low37Very low107 Ų107140.4 Ų140.475%0.74874%0.736SS**  trans-137.268.9165179.70000106.7
126D30.4Very low38Very low152 Ų152139.2 Ų139.281%0.81373%0.734SS**  trans-176.7105.4153-97.6-24000110
127K33.3Very low39.3Very low206 Ų206136.4 Ų136.490%0.89672%0.718SS**  trans157.196.5137.1-83.6168-173.9-1750109.5H129K127-H129 PolarHBondContact O-N 3.46Å
128S32.9Very low41Very low116 Ų116133 Ų13381%0.81170%0.703SS**  trans-63.4106.7171.149.20000111.6
129H38.7Very low42.7Very low175 Ų175129.7 Ų129.781%0.8169%0.692SS**  trans-116.4124.3147.2-100.3-83.9000107.1K127 I131K127-H129 PolarHBondContact O-N 3.46Å; H129-I131 VanDerWaalsContact C-N 3.33Å; H129-I131 PolarHBondContact O-N 2.88Å
130V43.9Very low44.4Very low145 Ų145131.7 Ų131.788%0.87969%0.692SS**  trans-70.485.3-170.8-177.40000109.9
131I49.2Very low46.3Very low75 Ų75132.7 Ų132.739%0.38569%0.687SS.*  trans-83.1132167.2-58.6172.4000107H129 K133 K135 L136H129-I131 VanDerWaalsContact C-N 3.33Å; H129-I131 PolarHBondContact O-N 2.88Å; I131-K133 PolarHBondContact O-N 3.26Å; I131-K135 HydrophobicContact CG2-CB 3.76Å; I131-L136 HydrophobicContact CG2-CB 4.5Å
132P46.7Very low48.2Very low88 Ų88128 Ų12857%0.57167%0.672SS**  trans-51.3130.7176.7-2734.1000111.4Q134 K135 L136P132-Q134 PolarHBondContact O-N 2.9Å; P132-K135 WeakPolarHBondContact O-CA 3.47Å; P132-K135 PolarHBondContact O-N 3.06Å; P132-L136 PolarHBondContact O-N 3.37Å
133K57.7Low49.9Very low186 Ų186123 Ų12381%0.80965%0.649SS**Hα-helixtrans-48.8-33.9-172.1-70.6-175.3176.9-179.20113.9I131 L136 S137I131-K133 PolarHBondContact O-N 3.26Å; K133-L136 PolarHBondContact O-N 2.77Å; K133-S137 WeakPolarHBondContact O-CB 3.16Å; K133-S137 PolarHBondContact O-N 2.72Å; K133-S137 PolarHBondContact O-OG 3.41Å
134Q52.1Low51.6Low169 Ų169122 Ų12279%0.7964%0.639SS**Hα-helixtrans-67.3-44.5177.9-135.7172.42.300112.3P132 S137 A138P132-Q134 PolarHBondContact O-N 2.9Å; Q134-S137 PolarHBondContact O-N 3.34Å; Q134-S137 PolarHBondContact O-OG 2.88Å; Q134-A138 PolarHBondContact O-N 3.38Å
135K53.6Low53.2Low149 Ų149117.6 Ų117.665%0.64862%0.622SS**Hα-helixtrans-66.7-38.1172.6-89.4-174.1176.7-178.50111.9I131 P132 A138 M139I131-K135 HydrophobicContact CG2-CB 3.76Å; P132-K135 WeakPolarHBondContact O-CA 3.47Å; P132-K135 PolarHBondContact O-N 3.06Å; K135-A138 PolarHBondContact O-N 3.1Å; K135-M139 WeakPolarHBondContact O-CB 3.01Å; K135-M139 PolarHBondContact O-N 2.93Å
136L57.9Low54.7Low87 Ų87117.4 Ų117.446%0.45561%0.612SS.*Hα-helixtrans-61.1-46.3175.8-172.767.3000110.8I131 P132 K133 A138 M139 E140I131-L136 HydrophobicContact CG2-CB 4.5Å; P132-L136 PolarHBondContact O-N 3.37Å; K133-L136 PolarHBondContact O-N 2.77Å; L136-A138 PolarHBondContact O-N 3.11Å; L136-M139 PolarHBondContact O-N 3.35Å; L136-E140 VanDerWaalsContact O-CB 3.26Å; L136-E140 WeakPolarHBondContact O-CB 3.39Å; L136-E140 PolarHBondContact O-N 2.83Å
137S63.3Low56.5Low50 Ų50114.5 Ų114.535%0.3560%0.595SS.*Hα-helixtrans-66.5-36.2178.471.60000113.5K133 Q134 K141K133-S137 WeakPolarHBondContact O-CB 3.16Å; K133-S137 PolarHBondContact O-N 2.72Å; K133-S137 PolarHBondContact O-OG 3.41Å; Q134-S137 PolarHBondContact O-N 3.34Å; Q134-S137 PolarHBondContact O-OG 2.88Å; S137-K141 WeakPolarHBondContact O-CB 3.14Å; S137-K141 VanDerWaalsContact O-CG 3.26Å; S137-K141 WeakPolarHBondContact O-CG 3.22Å; S137-K141 PolarHBondContact O-N 2.82Å
138A69Low57.9Low52 Ų52110.7 Ų110.743%0.4358%0.581SS.*Hα-helixtrans-68.6-44.2174.800000111Q134 K135 L136 E140 K141 T142Q134-A138 PolarHBondContact O-N 3.38Å; K135-A138 PolarHBondContact O-N 3.1Å; L136-A138 PolarHBondContact O-N 3.11Å; A138-E140 PolarHBondContact O-N 3.2Å; A138-K141 PolarHBondContact O-N 3.48Å; A138-T142 WeakPolarHBondContact O-CB 3.47Å; A138-T142 PolarHBondContact O-N 2.96Å; A138-T142 PolarHBondContact O-OG1 3.04Å
139M62.7Low59.5Low116 Ų116110.5 Ų110.557%0.57157%0.567SS**Hα-helixtrans-66.1-36.6177.8-169.3170.4174.300112.1K135 L136 S143K135-M139 WeakPolarHBondContact O-CB 3.01Å; K135-M139 PolarHBondContact O-N 2.93Å; L136-M139 PolarHBondContact O-N 3.35Å; M139-S143 WeakPolarHBondContact O-CB 3.27Å; M139-S143 PolarHBondContact O-N 3.11Å; M139-S143 PolarHBondContact O-OG 3.48Å
140E66.7Low61.1Low127 Ų127107.7 Ų107.759%0.59356%0.558SS**Hα-helixtrans-69.2-41.4174.9-170.3172.9-17400111.5L136 A138 S143 T144L136-E140 VanDerWaalsContact O-CB 3.26Å; L136-E140 WeakPolarHBondContact O-CB 3.39Å; L136-E140 PolarHBondContact O-N 2.83Å; A138-E140 PolarHBondContact O-N 3.2Å; E140-S143 PolarHBondContact O-N 3.18Å; E140-T144 VanDerWaalsContact O-CB 3.29Å; E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 PolarHBondContact O-N 3.07Å; E140-T144 PolarHBondContact O-OG1 3.42Å
141K65.3Low62.4Low137 Ų137106.7 Ų106.760%0.59654%0.542SS*.Hα-helixtrans-61.4-51.1172-76.7176.8-178.6-175.70111.7S137 A138 S143 T144 E145S137-K141 WeakPolarHBondContact O-CB 3.14Å; S137-K141 VanDerWaalsContact O-CG 3.26Å; S137-K141 WeakPolarHBondContact O-CG 3.22Å; S137-K141 PolarHBondContact O-N 2.82Å; A138-K141 PolarHBondContact O-N 3.48Å; K141-S143 VanDerWaalsContact C-N 3.32Å; K141-S143 PolarHBondContact O-N 3Å; K141-T144 PolarHBondContact O-N 2.6Å; K141-E145 WeakPolarHBondContact O-CB 3.3Å; K141-E145 VanDerWaalsContact O-CG 3.25Å; K141-E145 WeakPolarHBondContact O-CG 3.5Å; K141-E145 PolarHBondContact O-N 2.9Å
142T69.2Low63.4Low71 Ų71106.1 Ų106.144%0.43655%0.545SS..Hα-helixtrans-61.5-40.1177.7-58.40000111.4A138 E145 L146A138-T142 WeakPolarHBondContact O-CB 3.47Å; A138-T142 PolarHBondContact O-N 2.96Å; A138-T142 PolarHBondContact O-OG1 3.04Å; T142-E145 PolarHBondContact O-N 3.27Å; T142-L146 HydrophobicContact CG2-CD1 3.99Å; T142-L146 HydrophobicContact CG2-CG 4.33Å; T142-L146 WeakPolarHBondContact O-CB 3.41Å; T142-L146 VanDerWaalsContact O-CG 3.23Å; T142-L146 WeakPolarHBondContact O-CG 3.07Å; T142-L146 PolarHBondContact O-N 2.89Å
143S64Low64.9Low51 Ų51105.4 Ų105.436%0.35754%0.536SS..Hα-helixtrans-65.1-42.6176-59.80000111.4M139 E140 K141 L146 I147M139-S143 WeakPolarHBondContact O-CB 3.27Å; M139-S143 PolarHBondContact O-N 3.11Å; M139-S143 PolarHBondContact O-OG 3.48Å; E140-S143 PolarHBondContact O-N 3.18Å; K141-S143 VanDerWaalsContact C-N 3.32Å; K141-S143 PolarHBondContact O-N 3Å; S143-L146 PolarHBondContact O-N 2.88Å; S143-I147 VanDerWaalsContact O-CB 3.31Å; S143-I147 WeakPolarHBondContact O-CB 3.42Å; S143-I147 WeakPolarHBondContact O-CD1 3.44Å; S143-I147 WeakPolarHBondContact O-CG1 3.49Å; S143-I147 PolarHBondContact O-N 3.38Å
144T63.9Low65.8Low85 Ų8598.6 Ų98.652%0.52151%0.506SS..Hα-helixtrans-66.2-40.1178-55.20000111.2E140 K141 I147 Q148E140-T144 VanDerWaalsContact O-CB 3.29Å; E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 PolarHBondContact O-N 3.07Å; E140-T144 PolarHBondContact O-OG1 3.42Å; K141-T144 PolarHBondContact O-N 2.6Å; T144-I147 PolarHBondContact O-N 3.31Å; T144-Q148 WeakPolarHBondContact O-CB 3.37Å; T144-Q148 PolarHBondContact O-N 3.06Å
145E66.4Low66.9Low125 Ų12594.3 Ų94.358%0.58449%0.492SS*.Hα-helixtrans-64.1-48.6175-74168.5-178.200111.3K141 T142 I147 Q148 E149K141-E145 WeakPolarHBondContact O-CB 3.3Å; K141-E145 VanDerWaalsContact O-CG 3.25Å; K141-E145 WeakPolarHBondContact O-CG 3.5Å; K141-E145 PolarHBondContact O-N 2.9Å; T142-E145 PolarHBondContact O-N 3.27Å; E145-I147 PolarHBondContact O-N 3.45Å; E145-Q148 PolarHBondContact O-N 3.39Å; E145-E149 VanDerWaalsContact O-CB 3.29Å; E145-E149 WeakPolarHBondContact O-CB 3.45Å; E145-E149 PolarHBondContact O-N 2.9Å
146L62.8Low68.1Low103 Ų10391.2 Ų91.254%0.53948%0.481SS..Hα-helixtrans-62.3-40.7175.9-72.3172.7000112.2T142 S143 N150T142-L146 HydrophobicContact CG2-CD1 3.99Å; T142-L146 HydrophobicContact CG2-CG 4.33Å; T142-L146 WeakPolarHBondContact O-CB 3.41Å; T142-L146 VanDerWaalsContact O-CG 3.23Å; T142-L146 WeakPolarHBondContact O-CG 3.07Å; T142-L146 PolarHBondContact O-N 2.89Å; S143-L146 PolarHBondContact O-N 2.88Å; L146-N150 WeakPolarHBondContact O-CB 3.27Å; L146-N150 PolarHBondContact O-N 3.39Å
147I67.9Low69.3Low92 Ų9290.6 Ų90.647%0.47248%0.476SS..Hα-helixtrans-64.9-41.9175.6-71163.9000110.4S143 T144 E145 K151S143-I147 VanDerWaalsContact O-CB 3.31Å; S143-I147 WeakPolarHBondContact O-CB 3.42Å; S143-I147 WeakPolarHBondContact O-CD1 3.44Å; S143-I147 WeakPolarHBondContact O-CG1 3.49Å; S143-I147 PolarHBondContact O-N 3.38Å; T144-I147 PolarHBondContact O-N 3.31Å; E145-I147 PolarHBondContact O-N 3.45Å; I147-K151 HydrophobicContact CG2-CD 4.15Å; I147-K151 WeakPolarHBondContact O-CB 3.5Å; I147-K151 VanDerWaalsContact O-CG 3.22Å; I147-K151 WeakPolarHBondContact O-CG 3.45Å; I147-K151 PolarHBondContact O-N 3.44Å
148Q61.9Low70Confident125 Ų12589 Ų8958%0.58447%0.466SS*.Hα-helixtrans-70.4-40.9179.9-173.269.7-13.500111.9T144 E145 K151 S152T144-Q148 WeakPolarHBondContact O-CB 3.37Å; T144-Q148 PolarHBondContact O-N 3.06Å; E145-Q148 PolarHBondContact O-N 3.39Å; Q148-K151 PolarHBondContact O-N 2.92Å; Q148-S152 WeakPolarHBondContact O-CB 3.37Å; Q148-S152 PolarHBondContact O-N 3.4Å
149E65.9Low70.6Confident113 Ų11387.8 Ų87.853%0.52846%0.456SS..Hα-helixtrans-63.8-46.9174.8-170.7-177.317600110.6E145 K151 S152 N153E145-E149 VanDerWaalsContact O-CB 3.29Å; E145-E149 WeakPolarHBondContact O-CB 3.45Å; E145-E149 PolarHBondContact O-N 2.9Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.47Å; E149-S152 PolarHBondContact O-N 3.46Å; E149-S152 VanDerWaalsContact O-N 3.15Å; E149-N153 WeakPolarHBondContact O-CB 3.45Å; E149-N153 VanDerWaalsContact O-CG 3.31Å; E149-N153 PolarHBondContact O-N 2.69Å; E149-N153 PolarHBondContact O-ND2 2.98Å
150N72.4Confident71.6Confident116 Ų11687.8 Ų87.862%0.6245%0.453SS*.Hα-helixtrans-62.6-39.9176.4-163.921.9000111.6L146 F154L146-N150 WeakPolarHBondContact O-CB 3.27Å; L146-N150 PolarHBondContact O-N 3.39Å; N150-F154 WeakPolarHBondContact O-CB 3.44Å; N150-F154 PolarHBondContact O-N 3.39Å
151K71.5Confident72.5Confident123 Ų12381.8 Ų81.854%0.53543%0.425SS..Hα-helixtrans-62-43.6172.2-79.4174.6-178.61780112.2I147 Q148 E149 F154 V155I147-K151 HydrophobicContact CG2-CD 4.15Å; I147-K151 WeakPolarHBondContact O-CB 3.5Å; I147-K151 VanDerWaalsContact O-CG 3.22Å; I147-K151 WeakPolarHBondContact O-CG 3.45Å; I147-K151 PolarHBondContact O-N 3.44Å; Q148-K151 PolarHBondContact O-N 2.92Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.47Å; K151-F154 WeakPolarHBondContact O-CB 3.33Å; K151-F154 PolarHBondContact O-N 3.08Å; K151-V155 VanDerWaalsContact O-CG2 3.27Å; K151-V155 WeakPolarHBondContact O-CG2 3.23Å; K151-V155 PolarHBondContact O-N 2.84Å
152S71.4Confident73.4Confident64 Ų6475.7 Ų75.745%0.44840%0.401SS..Hα-helixtrans-64.1-48178.7-174.40000111.4Q148 E149 F154 V155 I156Q148-S152 WeakPolarHBondContact O-CB 3.37Å; Q148-S152 PolarHBondContact O-N 3.4Å; E149-S152 PolarHBondContact O-N 3.46Å; E149-S152 VanDerWaalsContact O-N 3.15Å; S152-F154 VanDerWaalsContact C-N 3.3Å; S152-F154 PolarHBondContact O-N 2.92Å; S152-V155 PolarHBondContact O-N 3.49Å; S152-I156 WeakPolarHBondContact O-CG1 3.4Å; S152-I156 PolarHBondContact O-N 2.89Å
153N76.6Confident74.3Confident72 Ų7273.2 Ų73.239%0.38539%0.385SS..Hα-helixtrans-59.9-43.3176.7-70.6-17.5000111.1E149 V155 I156 Q157E149-N153 WeakPolarHBondContact O-CB 3.45Å; E149-N153 VanDerWaalsContact O-CG 3.31Å; E149-N153 PolarHBondContact O-N 2.69Å; E149-N153 PolarHBondContact O-ND2 2.98Å; N153-V155 PolarHBondContact O-N 2.92Å; N153-I156 PolarHBondContact O-N 3.47Å; N153-Q157 WeakPolarHBondContact O-CB 2.94Å; N153-Q157 VanDerWaalsContact O-CG 3.3Å; N153-Q157 WeakPolarHBondContact O-CG 3.34Å; N153-Q157 PolarHBondContact O-N 3.39Å
154F77Confident75.4Confident43 Ų4375.1 Ų75.119%0.18939%0.391CS..Hα-helixtrans-59.2-45.8175174.1-86.9000112.6L109 P110 F115 N150 K151 S152 I156 Q157 A158L109-F154 HydrophobicContact CB-CD2 4.5Å; L109-F154 HydrophobicContact CB-CE2 3.84Å; L109-F154 HydrophobicContact CD2-CD2 3.44Å; L109-F154 VanDerWaalsContact CD2-CD2 3.44Å; L109-F154 HydrophobicContact CD2-CE1 4.27Å; L109-F154 HydrophobicContact CD2-CE2 3.13Å; L109-F154 HydrophobicContact CD2-CG 4.14Å; L109-F154 HydrophobicContact CD2-CZ 3.58Å; L109-F154 HydrophobicContact CG-CD2 3.56Å; L109-F154 HydrophobicContact CG-CE2 3.31Å; L109-F154 HydrophobicContact CG-CZ 4.22Å; P110-F154 HydrophobicContact CG-CE2 4.4Å; F115-F154 HydrophobicContact CD2-CZ 4.1Å; F115-F154 AromaticContact CE2-CE1 3.92Å; F115-F154 HydrophobicContact CE2-CE1 3.92Å; F115-F154 AromaticContact CE2-CE2 3.93Å; F115-F154 HydrophobicContact CE2-CE2 3.93Å; F115-F154 AromaticContact CE2-CZ 3.27Å; F115-F154 HydrophobicContact CE2-CZ 3.27Å; F115-F154 AromaticContact CZ-CE1 3.97Å; F115-F154 HydrophobicContact CZ-CE1 3.97Å; F115-F154 HydrophobicContact CZ-CE2 4.15Å; F115-F154 AromaticContact CZ-CZ 3.64Å; F115-F154 HydrophobicContact CZ-CZ 3.64Å; N150-F154 WeakPolarHBondContact O-CB 3.44Å; N150-F154 PolarHBondContact O-N 3.39Å; K151-F154 WeakPolarHBondContact O-CB 3.33Å; K151-F154 PolarHBondContact O-N 3.08Å; S152-F154 VanDerWaalsContact C-N 3.3Å; S152-F154 PolarHBondContact O-N 2.92Å; F154-I156 VanDerWaalsContact C-N 3.34Å; F154-I156 PolarHBondContact O-N 3.35Å; F154-Q157 PolarHBondContact O-N 3.46Å; F154-A158 VanDerWaalsContact O-CB 3.31Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 3.43Å
155V75.6Confident76.6Confident80 Ų8071 Ų7149%0.48537%0.366SS..Hα-helixtrans-62.2-43.6178.8169.40000110.7K151 S152 N153 A158 A159K151-V155 VanDerWaalsContact O-CG2 3.27Å; K151-V155 WeakPolarHBondContact O-CG2 3.23Å; K151-V155 PolarHBondContact O-N 2.84Å; S152-V155 PolarHBondContact O-N 3.49Å; N153-V155 PolarHBondContact O-N 2.92Å; V155-A158 PolarHBondContact O-N 3.49Å; V155-A159 WeakPolarHBondContact O-CB 3.03Å; V155-A159 PolarHBondContact O-N 2.69Å
156I78.6Confident77.7Confident83 Ų8365.1 Ų65.143%0.42634%0.338SS..Hα-helixtrans-64.2-45.4178.3-66.6168.2000110.9S152 N153 F154 A158 A159 F160S152-I156 WeakPolarHBondContact O-CG1 3.4Å; S152-I156 PolarHBondContact O-N 2.89Å; N153-I156 PolarHBondContact O-N 3.47Å; F154-I156 VanDerWaalsContact C-N 3.34Å; F154-I156 PolarHBondContact O-N 3.35Å; I156-A158 PolarHBondContact O-N 2.92Å; I156-A159 WeakPolarHBondContact O-CB 3.1Å; I156-A159 PolarHBondContact O-N 3.42Å; I156-F160 HydrophobicContact CG2-CD2 3.65Å; I156-F160 HydrophobicContact CG2-CE2 3.52Å; I156-F160 VanDerWaalsContact O-CD2 3.25Å; I156-F160 WeakPolarHBondContact O-CD2 3.29Å; I156-F160 PolarHBondContact O-N 2.63Å
157Q82.4Confident79Confident74 Ų7461.1 Ų61.135%0.34632%0.319SS..Hα-helixtrans-62.5-42.9176.8-73.3176.9-6.200112.1F107 N153 F154 A159 F160 T161F107-Q157 HydrophobicContact CD1-CB 4Å; F107-Q157 HydrophobicContact CD1-CG 3.82Å; F107-Q157 HydrophobicContact CE1-CB 4.17Å; F107-Q157 HydrophobicContact CE1-CG 3.88Å; F107-Q157 HydrophobicContact CG-CB 4.35Å; N153-Q157 WeakPolarHBondContact O-CB 2.94Å; N153-Q157 VanDerWaalsContact O-CG 3.3Å; N153-Q157 WeakPolarHBondContact O-CG 3.34Å; N153-Q157 PolarHBondContact O-N 3.39Å; F154-Q157 PolarHBondContact O-N 3.46Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 3.01Å; Q157-F160 PolarHBondContact O-N 2.94Å; Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 2.93Å; Q157-T161 PolarHBondContact O-OG1 2.7Å
158A79Confident80.1Confident16 Ų1662 Ų6213%0.13232%0.319CS..Hα-helixtrans-63.3-37.8175.400000111.9L109 F154 V155 I156 G162L109-A158 HydrophobicContact CD2-CB 3.98Å; F154-A158 VanDerWaalsContact O-CB 3.31Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 3.43Å; V155-A158 PolarHBondContact O-N 3.49Å; I156-A158 PolarHBondContact O-N 2.92Å; A158-G162 PolarHBondContact O-N 2.85Å
159A80.7Confident81.5Confident27 Ų2756 Ų5622%0.22329%0.292CS..Hα-helixtrans-63.2-51.2174.400000111.9V155 I156 Q157 T161 G162 V163 L250V155-A159 WeakPolarHBondContact O-CB 3.03Å; V155-A159 PolarHBondContact O-N 2.69Å; I156-A159 WeakPolarHBondContact O-CB 3.1Å; I156-A159 PolarHBondContact O-N 3.42Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 3.01Å; A159-T161 VanDerWaalsContact C-N 3.33Å; A159-T161 PolarHBondContact O-N 3.49Å; A159-G162 WeakPolarHBondContact O-CA 3.47Å; A159-G162 PolarHBondContact O-N 2.94Å; A159-G162 VanDerWaalsContact O-N 3.09Å; A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 2.69Å; A159-L250 HydrophobicContact CB-CD1 3.86Å
160F84.1Confident82.8Confident117 Ų11751 Ų5151%0.51327%0.268SS..Hα-helixtrans-60.1-42.8176.5-83.3-69.1000112.2I156 Q157 G162 V163 I164I156-F160 HydrophobicContact CG2-CD2 3.65Å; I156-F160 HydrophobicContact CG2-CE2 3.52Å; I156-F160 VanDerWaalsContact O-CD2 3.25Å; I156-F160 WeakPolarHBondContact O-CD2 3.29Å; I156-F160 PolarHBondContact O-N 2.63Å; Q157-F160 PolarHBondContact O-N 2.94Å; F160-G162 VanDerWaalsContact C-N 3.28Å; F160-G162 PolarHBondContact O-N 3.07Å; F160-V163 PolarHBondContact O-N 3.48Å; F160-V163 VanDerWaalsContact O-N 3.15Å; F160-I164 WeakPolarHBondContact O-CG1 3.29Å; F160-I164 PolarHBondContact O-N 2.88Å
161T85.4Confident83.7Confident0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-56.1-45.3173.2-59.20000111.2Y99 I102 R103 F107 Q157 A159 V163 I164 A165Y99-T161 HydrophobicContact CD2-CG2 3.68Å; Y99-T161 HydrophobicContact CE2-CG2 3.82Å; Y99-T161 HydrophobicContact CG-CG2 4.4Å; I102-T161 HydrophobicContact CB-CG2 3.62Å; I102-T161 HydrophobicContact CG2-CG2 3.34Å; R103-T161 HydrophobicContact CB-CG2 4.07Å; F107-T161 WeakPolarHBondContact CD2-OG1 3.3Å; F107-T161 WeakPolarHBondContact CE2-OG1 3.06Å; Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 2.93Å; Q157-T161 PolarHBondContact O-OG1 2.7Å; A159-T161 VanDerWaalsContact C-N 3.33Å; A159-T161 PolarHBondContact O-N 3.49Å; T161-V163 PolarHBondContact O-N 2.85Å; T161-I164 PolarHBondContact O-N 3.46Å; T161-A165 VanDerWaalsContact O-CB 3.22Å; T161-A165 WeakPolarHBondContact O-CB 3.32Å; T161-A165 PolarHBondContact O-N 2.8Å
162G84.7Confident84.7Confident9 Ų947.5 Ų47.59%0.09325%0.251CS..Hα-helixtrans-61.5-40.5176.200000113.4A158 A159 F160 G166A158-G162 PolarHBondContact O-N 2.85Å; A159-G162 WeakPolarHBondContact O-CA 3.47Å; A159-G162 PolarHBondContact O-N 2.94Å; A159-G162 VanDerWaalsContact O-N 3.09Å; F160-G162 VanDerWaalsContact C-N 3.28Å; F160-G162 PolarHBondContact O-N 3.07Å; G162-G166 PolarHBondContact O-N 2.74Å
163V87.2Confident85.7Confident19 Ų1944.5 Ų44.512%0.11523%0.229CC..Hα-helixtrans-67.4-45.3177.41740000111.1A159 F160 T161 S167 A243 N246 L250A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 2.69Å; F160-V163 PolarHBondContact O-N 3.48Å; F160-V163 VanDerWaalsContact O-N 3.15Å; T161-V163 PolarHBondContact O-N 2.85Å; V163-S167 WeakPolarHBondContact O-CB 3.43Å; V163-S167 PolarHBondContact O-N 2.86Å; V163-S167 PolarHBondContact O-OG 3.38Å; V163-A243 HydrophobicContact CG1-CB 4.22Å; V163-N246 HydrophobicContact CG2-CB 4.1Å; V163-L250 HydrophobicContact CG2-CD1 4.35Å
164I87.9Confident86.5Confident91 Ų9141.1 Ų41.147%0.46721%0.211SC..Hα-helixtrans-66-50.7179.6-65.3168000110.3I102 F160 T161 G166 S167 F168I102-I164 HydrophobicContact CD1-CB 4.28Å; I102-I164 HydrophobicContact CD1-CG2 3.73Å; F160-I164 WeakPolarHBondContact O-CG1 3.29Å; F160-I164 PolarHBondContact O-N 2.88Å; T161-I164 PolarHBondContact O-N 3.46Å; I164-G166 VanDerWaalsContact C-N 3.33Å; I164-G166 PolarHBondContact O-N 3.45Å; I164-S167 WeakPolarHBondContact O-CB 3.48Å; I164-S167 PolarHBondContact O-N 3.14Å; I164-F168 PolarHBondContact O-N 3Å
165A88.3Confident87.3Confident0 Ų039.8 Ų39.80%021%0.207CC..Hα-helixtrans-59.7-44.117800000111.7I98 Y99 I102 T161 S167 F168 A169I98-A165 HydrophobicContact CB-CB 4.19Å; I98-A165 HydrophobicContact CG2-CB 3.71Å; Y99-A165 HydrophobicContact CD2-CB 4.48Å; I102-A165 HydrophobicContact CD1-CB 4.34Å; T161-A165 VanDerWaalsContact O-CB 3.22Å; T161-A165 WeakPolarHBondContact O-CB 3.32Å; T161-A165 PolarHBondContact O-N 2.8Å; A165-S167 VanDerWaalsContact C-N 3.35Å; A165-S167 PolarHBondContact O-N 3.5Å; A165-F168 PolarHBondContact O-N 3.4Å; A165-A169 VanDerWaalsContact O-CB 3.28Å; A165-A169 WeakPolarHBondContact O-CB 3.23Å; A165-A169 PolarHBondContact O-N 3.32Å
166G89.4Confident88.1Confident0 Ų036.8 Ų36.80%019%0.188CC..Hα-helixtrans-64.6-37.417700000113G162 I164 Q170G162-G166 PolarHBondContact O-N 2.74Å; I164-G166 VanDerWaalsContact C-N 3.33Å; I164-G166 PolarHBondContact O-N 3.45Å; G166-Q170 VanDerWaalsContact O-CB 3.28Å; G166-Q170 WeakPolarHBondContact O-CB 3.15Å; G166-Q170 PolarHBondContact O-N 3.25Å
167S90.7Very high88.8Confident19 Ų1933.1 Ų33.113%0.13317%0.17CC..Hα-helixtrans-66.7-46.1176.9-66.40000111.5V163 I164 A165 Q170 F171V163-S167 WeakPolarHBondContact O-CB 3.43Å; V163-S167 PolarHBondContact O-N 2.86Å; V163-S167 PolarHBondContact O-OG 3.38Å; I164-S167 WeakPolarHBondContact O-CB 3.48Å; I164-S167 PolarHBondContact O-N 3.14Å; A165-S167 VanDerWaalsContact C-N 3.35Å; A165-S167 PolarHBondContact O-N 3.5Å; S167-Q170 WeakPolarHBondContact O-CB 3.38Å; S167-Q170 PolarHBondContact O-N 3.19Å; S167-F171 PolarHBondContact O-N 3.46Å
168F90.5Very high89.2Confident111 Ų11129.6 Ų29.649%0.48715%0.153SC..Hα-helixtrans-66.9-43.3177.6-167.5-85.9000112.1I98 I164 A165 Q170 F171 L172I98-F168 HydrophobicContact CD1-CB 4.36Å; I98-F168 HydrophobicContact CD1-CD1 3.28Å; I98-F168 HydrophobicContact CD1-CE1 3.85Å; I98-F168 HydrophobicContact CD1-CG 4.16Å; I164-F168 PolarHBondContact O-N 3Å; A165-F168 PolarHBondContact O-N 3.4Å; F168-Q170 PolarHBondContact O-N 2.86Å; F168-F171 WeakPolarHBondContact O-CB 3Å; F168-F171 PolarHBondContact O-N 3.32Å; F168-F171 VanDerWaalsContact O-N 3.11Å; F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CD1-CG 4.23Å; F168-L172 HydrophobicContact CE1-CD1 3.74Å; F168-L172 HydrophobicContact CE1-CD2 4.47Å; F168-L172 HydrophobicContact CE1-CG 4.05Å; F168-L172 PolarHBondContact O-N 2.86Å; F168-L172 VanDerWaalsContact O-N 3.08Å
169A91.9Very high89.9Confident0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-59-37.7173.500000111.8Y91 A94 R95 A165 L172 A173Y91-A169 HydrophobicContact CD2-CB 3.84Å; Y91-A169 HydrophobicContact CE2-CB 3.88Å; A94-A169 HydrophobicContact CB-CB 3.86Å; R95-A169 HydrophobicContact CB-CB 3.84Å; A165-A169 VanDerWaalsContact O-CB 3.28Å; A165-A169 WeakPolarHBondContact O-CB 3.23Å; A165-A169 PolarHBondContact O-N 3.32Å; A169-L172 PolarHBondContact O-N 3.27Å; A169-A173 WeakPolarHBondContact O-CB 2.91Å; A169-A173 PolarHBondContact O-N 3.03Å
170Q92.7Very high90.5Very high7 Ų728.6 Ų28.63%0.03314%0.141CC..Hα-helixtrans-69.2-34.2176.4-165.165.69.400112.5Y91 G166 S167 F168 A173 S174 D177 N238 A242Y91-Q170 VanDerWaalsContact CD2-OE1 3.31Å; Y91-Q170 HydrophobicContact CE2-CB 4.31Å; G166-Q170 VanDerWaalsContact O-CB 3.28Å; G166-Q170 WeakPolarHBondContact O-CB 3.15Å; G166-Q170 PolarHBondContact O-N 3.25Å; S167-Q170 WeakPolarHBondContact O-CB 3.38Å; S167-Q170 PolarHBondContact O-N 3.19Å; F168-Q170 PolarHBondContact O-N 2.86Å; Q170-A173 PolarHBondContact O-N 3.33Å; Q170-S174 PolarHBondContact O-N 3.25Å; Q170-S174 PolarHBondContact O-OG 3.06Å; Q170-D177 PolarHBondContact NE2-OD2 2.79Å; Q170-N238 VanDerWaalsContact NE2-CG 3.26Å; Q170-N238 PolarHBondContact NE2-ND2 2.75Å; Q170-N238 PolarHBondContact NE2-OD1 3.33Å; Q170-A242 HydrophobicContact CB-CB 4.18Å; Q170-A242 HydrophobicContact CG-CB 3.95Å
171F93Very high90.9Very high93 Ų9323.3 Ų23.341%0.40812%0.118SC..Hα-helixtrans-62-45.8172.4-179.1-100.6000111.4S167 F168 A173 S174 W232 V239S167-F171 PolarHBondContact O-N 3.46Å; F168-F171 WeakPolarHBondContact O-CB 3Å; F168-F171 PolarHBondContact O-N 3.32Å; F168-F171 VanDerWaalsContact O-N 3.11Å; F171-A173 VanDerWaalsContact C-N 3.34Å; F171-A173 PolarHBondContact O-N 3.29Å; F171-S174 VanDerWaalsContact O-CB 3.27Å; F171-S174 WeakPolarHBondContact O-CB 3.21Å; F171-S174 PolarHBondContact O-N 3.06Å; F171-S174 PolarHBondContact O-OG 3.35Å; F171-W232 AromaticContact CE1-NE1 3.76Å; F171-W232 AromaticContact CE2-CD1 3.62Å; F171-W232 AromaticContact CZ-CD1 3.61Å; F171-W232 HydrophobicContact CZ-CG 4.46Å; F171-W232 AromaticContact CZ-NE1 3.77Å; F171-W232 PolarHBondContact O-NE1 2.95Å; F171-W232 VanDerWaalsContact O-NE1 3.14Å; F171-V239 HydrophobicContact CB-CG2 3.79Å; F171-V239 HydrophobicContact CD2-CG2 4.36Å
172L91.9Very high91Very high73 Ų7323.9 Ų23.938%0.38212%0.12SC..Hα-helixtrans-65.3-35.7175.6-67.2-179.2000112.9A94 F168 A169 S174 P175A94-L172 HydrophobicContact CB-CD1 3.87Å; F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CD1-CG 4.23Å; F168-L172 HydrophobicContact CE1-CD1 3.74Å; F168-L172 HydrophobicContact CE1-CD2 4.47Å; F168-L172 HydrophobicContact CE1-CG 4.05Å; F168-L172 PolarHBondContact O-N 2.86Å; F168-L172 VanDerWaalsContact O-N 3.08Å; A169-L172 PolarHBondContact O-N 3.27Å; L172-S174 VanDerWaalsContact C-N 3.29Å; L172-S174 PolarHBondContact O-N 3.32Å; L172-P175 WeakPolarHBondContact O-CD 2.97Å
173A93Very high91.2Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-79.6-7.3177.400000113.9R87 I90 A169 Q170 F171 I176 D177R87-A173 HydrophobicContact CG-CB 4.18Å; I90-A173 HydrophobicContact CG2-CB 4.27Å; A169-A173 WeakPolarHBondContact O-CB 2.91Å; A169-A173 PolarHBondContact O-N 3.03Å; Q170-A173 PolarHBondContact O-N 3.33Å; F171-A173 VanDerWaalsContact C-N 3.34Å; F171-A173 PolarHBondContact O-N 3.29Å; A173-I176 PolarHBondContact O-N 2.95Å; A173-D177 PolarHBondContact O-N 3.13Å
174S93Very high91.3Very high1 Ų122.9 Ų22.91%0.00711%0.112CC..Hα-helixtrans-59.8-39.7-173.8-72.20000114.9Q170 F171 L172 I176 D177 L178 N238Q170-S174 PolarHBondContact O-N 3.25Å; Q170-S174 PolarHBondContact O-OG 3.06Å; F171-S174 VanDerWaalsContact O-CB 3.27Å; F171-S174 WeakPolarHBondContact O-CB 3.21Å; F171-S174 PolarHBondContact O-N 3.06Å; F171-S174 PolarHBondContact O-OG 3.35Å; L172-S174 VanDerWaalsContact C-N 3.29Å; L172-S174 PolarHBondContact O-N 3.32Å; S174-I176 VanDerWaalsContact C-N 3.26Å; S174-I176 PolarHBondContact O-N 3.1Å; S174-D177 PolarHBondContact O-N 3.36Å; S174-L178 WeakPolarHBondContact O-CB 3.27Å; S174-L178 PolarHBondContact O-N 3.13Å; S174-N238 PolarHBondContact OG-ND2 2.99Å
175P92.6Very high91.3Very high15 Ų1518.7 Ų18.710%0.0979%0.091CC..Hα-helixtrans-54.2-41171.1-31.939.6000114.1L172 L178 I179 L231 W232L172-P175 WeakPolarHBondContact O-CD 2.97Å; P175-L178 PolarHBondContact O-N 2.84Å; P175-I179 WeakPolarHBondContact O-CG1 3.26Å; P175-I179 PolarHBondContact O-N 3.4Å; P175-I179 VanDerWaalsContact O-N 3.1Å; P175-L231 VanDerWaalsContact CA-O 3.26Å; P175-L231 WeakPolarHBondContact CA-O 3.36Å; P175-L231 HydrophobicContact CB-CB 4Å; P175-L231 HydrophobicContact CG-CB 4.14Å; P175-W232 HydrophobicContact CG-CD2 3.78Å; P175-W232 HydrophobicContact CG-CE3 4.05Å; P175-W232 HydrophobicContact CG-CG 4.4Å; P175-W232 HydrophobicContact CG-CH2 3.93Å; P175-W232 HydrophobicContact CG-CZ2 3.64Å; P175-W232 HydrophobicContact CG-CZ3 4.12Å
176I92.8Very high91Very high17 Ų1719.4 Ų19.49%0.0879%0.094CC..Hα-helixtrans-73.9-38.7-178.9-55.3-53.6000110.6P83 F86 R87 A173 S174 L178 I179 K180 F215P83-I176 HydrophobicContact CB-CG2 3.93Å; P83-I176 WeakPolarHBondContact O-CG2 3.28Å; F86-I176 HydrophobicContact CB-CG2 4.49Å; F86-I176 HydrophobicContact CD1-CD1 3.58Å; F86-I176 HydrophobicContact CD1-CG1 3.82Å; F86-I176 HydrophobicContact CD1-CG2 4.16Å; F86-I176 HydrophobicContact CE1-CD1 3.72Å; F86-I176 HydrophobicContact CE1-CG1 4.11Å; R87-I176 HydrophobicContact CB-CB 4.45Å; R87-I176 HydrophobicContact CB-CG2 3.79Å; A173-I176 PolarHBondContact O-N 2.95Å; S174-I176 VanDerWaalsContact C-N 3.26Å; S174-I176 PolarHBondContact O-N 3.1Å; I176-L178 VanDerWaalsContact C-N 3.3Å; I176-L178 PolarHBondContact O-N 3.42Å; I176-I179 PolarHBondContact O-N 3.12Å; I176-K180 WeakPolarHBondContact O-CB 3.26Å; I176-K180 PolarHBondContact O-N 2.89Å; I176-F215 HydrophobicContact CD1-CE2 4.12Å; I176-F215 HydrophobicContact CD1-CZ 3.89Å
177D93.2Very high90.4Very high7 Ų721.6 Ų21.64%0.03710%0.102CC..Hα-helixtrans-60.6-40171.5-84.7-38.9000112.1R87 Q170 A173 S174 K180 V181 N238 K295 M299R87-D177 WeakPolarHBondContact CD-OD1 3.42Å; R87-D177 IonicContact NE-OD1 3.93Å; Q170-D177 PolarHBondContact NE2-OD2 2.79Å; A173-D177 PolarHBondContact O-N 3.13Å; S174-D177 PolarHBondContact O-N 3.36Å; D177-K180 WeakPolarHBondContact O-CB 3.45Å; D177-K180 PolarHBondContact O-N 3.21Å; D177-V181 WeakPolarHBondContact O-CG2 3.36Å; D177-V181 PolarHBondContact O-N 3.41Å; D177-N238 PolarHBondContact OD2-ND2 3.2Å; D177-K295 IonicContact OD2-NZ 3.65Å; D177-M299 HydrophobicContact CB-CE 3.64Å; D177-M299 HydrophobicContact CB-SD 4.35Å
178L92.4Very high89.8Confident0 Ų023.3 Ų23.30%011%0.106CC..Hα-helixtrans-64-44.9178.6-176.953.7000111.2S174 P175 I176 V181 R182 L222 G230 L231 R233 M299S174-L178 WeakPolarHBondContact O-CB 3.27Å; S174-L178 PolarHBondContact O-N 3.13Å; P175-L178 PolarHBondContact O-N 2.84Å; I176-L178 VanDerWaalsContact C-N 3.3Å; I176-L178 PolarHBondContact O-N 3.42Å; L178-V181 PolarHBondContact O-N 3.15Å; L178-R182 HydrophobicContact CD1-CG 4.36Å; L178-R182 WeakPolarHBondContact O-CB 3.42Å; L178-R182 WeakPolarHBondContact O-CG 3.15Å; L178-R182 PolarHBondContact O-N 2.98Å; L178-L222 HydrophobicContact CB-CD2 4.38Å; L178-L222 HydrophobicContact CD2-CD1 3.99Å; L178-L222 HydrophobicContact CD2-CD2 3.46Å; L178-L222 VanDerWaalsContact CD2-CD2 3.46Å; L178-L222 HydrophobicContact CD2-CG 4.24Å; L178-L222 HydrophobicContact CG-CD2 3.58Å; L178-G230 VanDerWaalsContact CD2-O 3.22Å; L178-G230 WeakPolarHBondContact CD2-O 3.42Å; L178-L231 VanDerWaalsContact CD2-O 3.3Å; L178-L231 WeakPolarHBondContact CD2-O 3.42Å; L178-R233 HydrophobicContact CD2-CB 3.95Å; L178-M299 HydrophobicContact CB-CE 4.1Å; L178-M299 HydrophobicContact CD1-CB 3.61Å; L178-M299 HydrophobicContact CD1-CG 3.98Å; L178-M299 WeakPolarHBondContact CD1-O 3.32Å
179I92.3Very high88.7Confident5 Ų520.3 Ų20.33%0.0269%0.091CC..Hα-helixtrans-62.9-41.4174.1-65.8164.4000111P83 P175 I176 R182 L183 F215 T218 A219 L222P83-I179 HydrophobicContact CB-CG2 4.24Å; P83-I179 HydrophobicContact CG-CG2 4.43Å; P175-I179 WeakPolarHBondContact O-CG1 3.26Å; P175-I179 PolarHBondContact O-N 3.4Å; P175-I179 VanDerWaalsContact O-N 3.1Å; I176-I179 PolarHBondContact O-N 3.12Å; I179-R182 PolarHBondContact O-N 3.39Å; I179-L183 HydrophobicContact CG2-CD1 3.87Å; I179-L183 WeakPolarHBondContact O-CB 3.44Å; I179-L183 WeakPolarHBondContact O-CG 3.48Å; I179-L183 PolarHBondContact O-N 2.97Å; I179-F215 HydrophobicContact CB-CE2 4.44Å; I179-F215 HydrophobicContact CD1-CE2 3.89Å; I179-F215 HydrophobicContact CD1-CZ 3.98Å; I179-F215 HydrophobicContact CG2-CD2 3.68Å; I179-F215 HydrophobicContact CG2-CE2 3.91Å; I179-T218 HydrophobicContact CG2-CG2 4.07Å; I179-A219 HydrophobicContact CD1-CB 3.88Å; I179-L222 HydrophobicContact CG1-CD2 4.39Å
180K93.2Very high87.9Confident17 Ų1723 Ų237%0.07410%0.104CC..Hα-helixtrans-57-55.5175.4175.6-178.1173.8172.10110.5E34 D41 P83 A84 I176 D177 R182 L183 Q184E34-K180 IonicContact OE1-NZ 3.87Å; E34-K180 PolarHBondContact OE1-NZ 3.46Å; D41-K180 IonicContact OD2-NZ 2.85Å; D41-K180 PolarHBondContact OD2-NZ 3.39Å; P83-K180 HydrophobicContact CB-CB 4.15Å; P83-K180 HydrophobicContact CG-CB 4.08Å; A84-K180 HydrophobicContact CB-CD 3.8Å; A84-K180 HydrophobicContact CB-CG 4.44Å; I176-K180 WeakPolarHBondContact O-CB 3.26Å; I176-K180 PolarHBondContact O-N 2.89Å; D177-K180 WeakPolarHBondContact O-CB 3.45Å; D177-K180 PolarHBondContact O-N 3.21Å; K180-R182 VanDerWaalsContact C-N 3.35Å; K180-R182 PolarHBondContact O-N 3.45Å; K180-L183 PolarHBondContact O-N 2.95Å; K180-Q184 HydrophobicContact CG-CG 4.35Å; K180-Q184 WeakPolarHBondContact O-CB 3.27Å; K180-Q184 VanDerWaalsContact O-CG 3.29Å; K180-Q184 WeakPolarHBondContact O-CG 3.43Å; K180-Q184 PolarHBondContact O-N 2.78Å
181V92.2Very high86.9Confident6 Ų622.8 Ų22.84%0.03610%0.104CC..Hα-helixtrans-60.8-45.1-177.8172.60000110.6D177 L178 L183 Q184 T185 T296 M299 N300D177-V181 WeakPolarHBondContact O-CG2 3.36Å; D177-V181 PolarHBondContact O-N 3.41Å; L178-V181 PolarHBondContact O-N 3.15Å; V181-L183 VanDerWaalsContact C-N 3.35Å; V181-L183 PolarHBondContact O-N 3.46Å; V181-Q184 PolarHBondContact O-N 2.93Å; V181-T185 HydrophobicContact CG1-CG2 4.12Å; V181-T185 WeakPolarHBondContact O-CB 3.44Å; V181-T185 WeakPolarHBondContact O-CG2 3.37Å; V181-T185 PolarHBondContact O-N 3.13Å; V181-T185 PolarHBondContact O-OG1 3.39Å; V181-T296 HydrophobicContact CG1-CG2 3.95Å; V181-M299 HydrophobicContact CB-CB 4.1Å; V181-M299 HydrophobicContact CG1-CB 3.95Å; V181-M299 HydrophobicContact CG2-CB 4.34Å; V181-M299 HydrophobicContact CG2-SD 4.05Å; V181-N300 HydrophobicContact CG1-CB 4.18Å
182R88.5Confident86.2Confident11 Ų1119.8 Ų19.84%0.0429%0.091CC..Hα-helixtrans-58.7-42.4177.9-75.8-91.3-174.5132.8-6.5112.9L178 I179 K180 T185 E186 T218 E225 Q301L178-R182 HydrophobicContact CD1-CG 4.36Å; L178-R182 WeakPolarHBondContact O-CB 3.42Å; L178-R182 WeakPolarHBondContact O-CG 3.15Å; L178-R182 PolarHBondContact O-N 2.98Å; I179-R182 PolarHBondContact O-N 3.39Å; K180-R182 VanDerWaalsContact C-N 3.35Å; K180-R182 PolarHBondContact O-N 3.45Å; R182-T185 PolarHBondContact O-OG1 3.07Å; R182-E186 WeakPolarHBondContact O-CB 3.46Å; R182-E186 PolarHBondContact O-N 2.93Å; R182-E186 VanDerWaalsContact O-N 3.12Å; R182-T218 HydrophobicContact CB-CG2 3.73Å; R182-E225 IonicContact CZ-OE2 3.8Å; R182-E225 VanDerWaalsContact CZ-OE2 3.23Å; R182-E225 IonicContact NH1-OE1 2.82Å; R182-E225 PolarHBondContact NH1-OE1 2.96Å; R182-E225 IonicContact NH1-OE2 3.36Å; R182-E225 PolarHBondContact NH1-OE2 2.89Å; R182-E225 IonicContact NH2-OE2 3.72Å; R182-E225 PolarHBondContact NH2-OE2 2.95Å; R182-Q301 PolarHBondContact NH2-O 3.42Å
183L89.1Confident85.5Confident4 Ų416.6 Ų16.62%0.0218%0.076CC..Hα-helixtrans-70.2-38.7176.2-79.3168.5000111.9P83 I179 K180 V181 L213 T218P83-L183 HydrophobicContact CG-CD1 4Å; I179-L183 HydrophobicContact CG2-CD1 3.87Å; I179-L183 WeakPolarHBondContact O-CB 3.44Å; I179-L183 WeakPolarHBondContact O-CG 3.48Å; I179-L183 PolarHBondContact O-N 2.97Å; K180-L183 PolarHBondContact O-N 2.95Å; V181-L183 VanDerWaalsContact C-N 3.35Å; V181-L183 PolarHBondContact O-N 3.46Å; L183-L213 HydrophobicContact CD2-CB 3.71Å; L183-T218 VanDerWaalsContact CD2-OG1 3.27Å; L183-T218 WeakPolarHBondContact CD2-OG1 3.47Å; L183-T218 HydrophobicContact CG-CG2 4.28Å
184Q89.9Confident84.7Confident3 Ų320.7 Ų20.71%0.01410%0.095CC..Hα-helixtrans-67.2-36.6178.2-76.1179.8-33.700112.2Y38 I42 R46 K180 V181Y38-Q184 WeakPolarHBondContact OH-CG 3.36Å; Y38-Q184 PolarHBondContact OH-NE2 3.07Å; I42-Q184 HydrophobicContact CG1-CB 4.24Å; I42-Q184 HydrophobicContact CG1-CG 4.27Å; R46-Q184 PolarHBondContact NH1-O 2.67Å; R46-Q184 PolarHBondContact NH2-O 3.38Å; R46-Q184 VanDerWaalsContact NH2-O 3.14Å; K180-Q184 HydrophobicContact CG-CG 4.35Å; K180-Q184 WeakPolarHBondContact O-CB 3.27Å; K180-Q184 VanDerWaalsContact O-CG 3.29Å; K180-Q184 WeakPolarHBondContact O-CG 3.43Å; K180-Q184 PolarHBondContact O-N 2.78Å; V181-Q184 PolarHBondContact O-N 2.93Å
185T87.3Confident84.1Confident3 Ų322.6 Ų22.62%0.01811%0.105CC..Hα-helixtrans-90.3-9.3-178.357.80000113.5R46 V49 V181 R182 R187 R188 N300R46-T185 PolarHBondContact NH1-O 3.25Å; V49-T185 HydrophobicContact CG2-CG2 3.96Å; V181-T185 HydrophobicContact CG1-CG2 4.12Å; V181-T185 WeakPolarHBondContact O-CB 3.44Å; V181-T185 WeakPolarHBondContact O-CG2 3.37Å; V181-T185 PolarHBondContact O-N 3.13Å; V181-T185 PolarHBondContact O-OG1 3.39Å; R182-T185 PolarHBondContact O-OG1 3.07Å; T185-R187 VanDerWaalsContact C-N 3.33Å; T185-R187 PolarHBondContact O-N 3.41Å; T185-R188 WeakPolarHBondContact O-CB 3.26Å; T185-R188 VanDerWaalsContact O-CG 3.3Å; T185-R188 WeakPolarHBondContact O-CG 3.37Å; T185-R188 PolarHBondContact O-N 3.38Å; T185-R188 VanDerWaalsContact O-N 3.1Å; T185-N300 WeakPolarHBondContact CB-OD1 3.38Å; T185-N300 HydrophobicContact CG2-CB 4.21Å; T185-N300 PolarHBondContact OG1-OD1 3.01Å
186E82.8Confident83.4Confident15 Ų1524.3 Ų24.37%0.0711%0.113CC..THydrogen-bonded Turntrans-53.3-45.9-170.6-165.6-152.1155.200113.1Q79 R182 R188 W189 L213Q79-E186 PolarHBondContact NE2-OE2 3.13Å; R182-E186 WeakPolarHBondContact O-CB 3.46Å; R182-E186 PolarHBondContact O-N 2.93Å; R182-E186 VanDerWaalsContact O-N 3.12Å; E186-R188 PolarHBondContact O-N 2.96Å; E186-W189 PolarHBondContact O-NE1 3.2Å; E186-L213 HydrophobicContact CG-CD2 3.91Å; E186-L213 WeakPolarHBondContact OE1-CD1 3.35Å; E186-L213 WeakPolarHBondContact OE1-CD2 3.32Å; E186-L213 WeakPolarHBondContact OE2-CB 3.28Å
187R75.9Confident82.5Confident47 Ų4730.6 Ų30.618%0.17715%0.147CC..THydrogen-bonded Turntrans-89.17.6-174.6-63.6-178.7169.7-126.9-14.2115R46 E72 Q79 T185 W189 M190R46-R187 VanDerWaalsContact NH1-N 3.17Å; E72-R187 HydrophobicContact CG-CB 4.47Å; Q79-R187 VanDerWaalsContact OE1-CD 3.29Å; T185-R187 VanDerWaalsContact C-N 3.33Å; T185-R187 PolarHBondContact O-N 3.41Å; R187-W189 PolarHBondContact O-N 3.13Å; R187-M190 HydrophobicContact CB-CE 3.45Å; R187-M190 VanDerWaalsContact CB-CE 3.45Å; R187-M190 HydrophobicContact CG-CE 3.46Å; R187-M190 VanDerWaalsContact CG-CE 3.46Å; R187-M190 WeakPolarHBondContact O-CB 3.2Å; R187-M190 PolarHBondContact O-N 3.15Å
188R78.5Confident81.4Confident55 Ų5537 Ų3721%0.20818%0.177CC..Hα-helixtrans-54.6-36.6-171.569.3176.1173.2163.9-10113V49 E52 T185 E186 M190 S191 E192 N300V49-R188 PolarHBondContact O-NH1 2.94Å; V49-R188 VanDerWaalsContact O-NH1 3.16Å; E52-R188 IonicContact OE2-CZ 3.06Å; E52-R188 IonicContact OE2-NH1 3.37Å; E52-R188 PolarHBondContact OE2-NH1 3.16Å; E52-R188 IonicContact OE2-NH2 2.76Å; E52-R188 PolarHBondContact OE2-NH2 3.16Å; T185-R188 WeakPolarHBondContact O-CB 3.26Å; T185-R188 VanDerWaalsContact O-CG 3.3Å; T185-R188 WeakPolarHBondContact O-CG 3.37Å; T185-R188 PolarHBondContact O-N 3.38Å; T185-R188 VanDerWaalsContact O-N 3.1Å; E186-R188 PolarHBondContact O-N 2.96Å; R188-M190 PolarHBondContact O-N 3.33Å; R188-S191 PolarHBondContact O-N 3.01Å; R188-S191 VanDerWaalsContact O-N 3.08Å; R188-E192 WeakPolarHBondContact O-CB 3.31Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 2.9Å; R188-N300 PolarHBondContact NH2-ND2 3.02Å
189W68Low79.8Confident48 Ų4846 Ų4618%0.18222%0.216CC..Hα-helixtrans-64.9-25.2-177.645.1-72.2000112.8E186 R187 G193 P200 K202 L206E186-W189 PolarHBondContact O-NE1 3.2Å; R187-W189 PolarHBondContact O-N 3.13Å; W189-G193 PolarHBondContact O-N 3.39Å; W189-P200 HydrophobicContact CE3-CB 4.24Å; W189-P200 WeakPolarHBondContact O-CB 3.14Å; W189-K202 HydrophobicContact CE3-CB 3.81Å; W189-K202 HydrophobicContact CE3-CG 4.18Å; W189-K202 HydrophobicContact CH2-CB 3.78Å; W189-K202 HydrophobicContact CH2-CD 3.73Å; W189-K202 HydrophobicContact CH2-CG 3.39Å; W189-K202 HydrophobicContact CZ2-CB 4.46Å; W189-K202 HydrophobicContact CZ2-CD 4.35Å; W189-K202 HydrophobicContact CZ2-CG 3.79Å; W189-K202 HydrophobicContact CZ3-CB 3.37Å; W189-K202 HydrophobicContact CZ3-CD 4.17Å; W189-K202 HydrophobicContact CZ3-CG 3.58Å; W189-L206 HydrophobicContact CZ2-CD1 4.22Å
190M73.6Confident78.2Confident55 Ų5549 Ų4927%0.27124%0.236SC..Hα-helixtrans-70.3-46.3171.2-67.4-169-70.800111.3R187 R188 H194R187-M190 HydrophobicContact CB-CE 3.45Å; R187-M190 VanDerWaalsContact CB-CE 3.45Å; R187-M190 HydrophobicContact CG-CE 3.46Å; R187-M190 VanDerWaalsContact CG-CE 3.46Å; R187-M190 WeakPolarHBondContact O-CB 3.2Å; R187-M190 PolarHBondContact O-N 3.15Å; R188-M190 PolarHBondContact O-N 3.33Å; M190-H194 PolarHBondContact O-N 3.37Å
191S72.6Confident76.4Confident3 Ų353 Ų532%0.02127%0.266CS..Hα-helixtrans-69.7-39178.4179.30000112.6S67 R188 L195S67-S191 WeakPolarHBondContact CB-OG 3.26Å; S67-S191 PolarHBondContact OG-O 2.8Å; S67-S191 PolarHBondContact OG-OG 2.94Å; R188-S191 PolarHBondContact O-N 3.01Å; R188-S191 VanDerWaalsContact O-N 3.08Å; S191-L195 WeakPolarHBondContact O-CB 3.29Å; S191-L195 PolarHBondContact O-N 2.78Å
192E77.8Confident74.7Confident30 Ų3055.4 Ų55.414%0.1428%0.276CS..Hα-helixtrans-71.4-43.5178.5-73.817117700111.8Y50 R188 H194 L195 N196Y50-E192 WeakPolarHBondContact CA-OE1 3.36Å; Y50-E192 HydrophobicContact CD2-CG 3.65Å; Y50-E192 HydrophobicContact CE2-CB 4.45Å; Y50-E192 HydrophobicContact CE2-CG 3.7Å; R188-E192 WeakPolarHBondContact O-CB 3.31Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 2.9Å; E192-H194 VanDerWaalsContact C-N 3.34Å; E192-H194 PolarHBondContact O-N 3.47Å; E192-L195 PolarHBondContact O-N 3.1Å; E192-L195 VanDerWaalsContact O-N 3.16Å; E192-N196 WeakPolarHBondContact O-CB 3.38Å; E192-N196 PolarHBondContact O-N 3Å
193G77.1Confident73.1Confident7 Ų757 Ų577%0.07229%0.287CS..Hα-helixtrans-57.3-47.6176.900000111.7W189 L195 N196 N197 H198W189-G193 PolarHBondContact O-N 3.39Å; G193-L195 VanDerWaalsContact C-N 3.34Å; G193-L195 PolarHBondContact O-N 2.99Å; G193-N196 PolarHBondContact O-N 3.46Å; G193-N197 PolarHBondContact O-N 3.43Å; G193-N197 VanDerWaalsContact O-N 3.09Å; G193-H198 CarbonylContact C-O 3.6Å; G193-H198 WeakPolarHBondContact CA-O 3.28Å; G193-H198 PolarHBondContact O-N 2.86Å
194H76.2Confident71.2Confident86 Ų8664 Ų6440%0.39833%0.33SS..Hα-helixtrans-58.9-44175.3-178.178.6000112.7N71 M190 E192 N197N71-H194 VanDerWaalsContact ND2-CB 3.33Å; N71-H194 WeakPolarHBondContact ND2-CB 3.31Å; N71-H194 PolarHBondContact ND2-CD2 2.8Å; N71-H194 VanDerWaalsContact ND2-CD2 3.26Å; M190-H194 PolarHBondContact O-N 3.37Å; E192-H194 VanDerWaalsContact C-N 3.34Å; E192-H194 PolarHBondContact O-N 3.47Å; H194-N197 PolarHBondContact O-N 2.97Å
195L80.4Confident69.4Low41 Ų4169.2 Ų69.222%0.21536%0.355CS..Hα-helixtrans-72.9-30.7-174.9-165.143.3000112.9Y50 P59 K63 I64 S191 E192 G193Y50-L195 HydrophobicContact CE2-CD2 3.94Å; P59-L195 HydrophobicContact CB-CD1 4.03Å; P59-L195 HydrophobicContact CB-CD2 3.88Å; P59-L195 HydrophobicContact CB-CG 3.98Å; P59-L195 HydrophobicContact CG-CD1 4.27Å; P59-L195 HydrophobicContact CG-CD2 3.21Å; P59-L195 HydrophobicContact CG-CG 3.72Å; K63-L195 HydrophobicContact CB-CD1 4.32Å; I64-L195 HydrophobicContact CG1-CD2 3.83Å; S191-L195 WeakPolarHBondContact O-CB 3.29Å; S191-L195 PolarHBondContact O-N 2.78Å; E192-L195 PolarHBondContact O-N 3.1Å; E192-L195 VanDerWaalsContact O-N 3.16Å; G193-L195 VanDerWaalsContact C-N 3.34Å; G193-L195 PolarHBondContact O-N 2.99Å
196N78.5Confident67.8Low50 Ų5069.9 Ų69.927%0.26736%0.358SS..THydrogen-bonded Turntrans-905.3174.7-71.1-16.5000113Y50 S56 E192 G193 H198Y50-N196 PolarHBondContact OH-OD1 2.71Å; S56-N196 PolarHBondContact OG-ND2 3.13Å; E192-N196 WeakPolarHBondContact O-CB 3.38Å; E192-N196 PolarHBondContact O-N 3Å; G193-N196 PolarHBondContact O-N 3.46Å; N196-H198 HydrophobicContact CB-CB 4.48Å; N196-H198 PolarHBondContact O-N 2.86Å; N196-H198 PolarHBondContact O-ND1 3.41Å
197N73.9Confident65.9Low150 Ų15074 Ų7480%0.80239%0.386SS*.THydrogen-bonded Turntrans50.328.5-171.9-65.3-38.4000113.8G193 H194G193-N197 PolarHBondContact O-N 3.43Å; G193-N197 VanDerWaalsContact O-N 3.09Å; H194-N197 PolarHBondContact O-N 2.97Å
198H69.1Low64.4Low142 Ų14278.2 Ų78.266%0.65742%0.417SS*.SBendtrans-104.1149.8177.5-82.661.1000109.8G193 N196G193-H198 CarbonylContact C-O 3.6Å; G193-H198 WeakPolarHBondContact CA-O 3.28Å; G193-H198 PolarHBondContact O-N 2.86Å; N196-H198 HydrophobicContact CB-CB 4.48Å; N196-H198 PolarHBondContact O-N 2.86Å; N196-H198 PolarHBondContact O-ND1 3.41Å
199K59.6Low62.8Low188 Ų18878 Ų7882%0.81743%0.433SS*.  trans-54.7132.8167.5-84.6-175.9179.5177.40108.1S201K199-S201 VanDerWaalsContact C-N 3.34Å; K199-S201 PolarHBondContact O-N 2.87Å
200P57.8Low61.7Low69 Ų6985.1 Ų85.145%0.44847%0.468SS..  trans-64.497.3177.426.4-33.4000108.7W189 K202W189-P200 HydrophobicContact CE3-CB 4.24Å; W189-P200 WeakPolarHBondContact O-CB 3.14Å; P200-K202 PolarHBondContact O-N 3.24Å; P200-K202 VanDerWaalsContact O-N 3.1Å
201S55.9Low60.3Low100 Ų10088.5 Ų88.570%0.69948%0.483SS*.  trans-73.4105.4176.8-64.30000108.4K199K199-S201 VanDerWaalsContact C-N 3.34Å; K199-S201 PolarHBondContact O-N 2.87Å
202K55.9Low59.3Low57 Ų5798 Ų9825%0.24852%0.518CS..  trans-57.4140166.9-164.6176.2-153.5-157.70108.6W189 P200 T204 L206 P207W189-K202 HydrophobicContact CE3-CB 3.81Å; W189-K202 HydrophobicContact CE3-CG 4.18Å; W189-K202 HydrophobicContact CH2-CB 3.78Å; W189-K202 HydrophobicContact CH2-CD 3.73Å; W189-K202 HydrophobicContact CH2-CG 3.39Å; W189-K202 HydrophobicContact CZ2-CB 4.46Å; W189-K202 HydrophobicContact CZ2-CD 4.35Å; W189-K202 HydrophobicContact CZ2-CG 3.79Å; W189-K202 HydrophobicContact CZ3-CB 3.37Å; W189-K202 HydrophobicContact CZ3-CD 4.17Å; W189-K202 HydrophobicContact CZ3-CG 3.58Å; P200-K202 PolarHBondContact O-N 3.24Å; P200-K202 VanDerWaalsContact O-N 3.1Å; K202-T204 PolarHBondContact O-N 2.9Å; K202-L206 HydrophobicContact CD-CB 3.86Å; K202-L206 WeakPolarHBondContact CE-O 3.27Å; K202-L206 HydrophobicContact CG-CB 3.71Å; K202-L206 HydrophobicContact CG-CD1 4.04Å; K202-L206 HydrophobicContact CG-CG 4.42Å; K202-L206 PolarHBondContact NZ-O 3.17Å; K202-P207 PolarHBondContact NZ-O 3.42Å
203P56Low58.7Low44 Ų4498.4 Ų98.429%0.28652%0.521SS..  trans-50.4129164.5-24.933.2000109.4E205 L206P203-E205 PolarHBondContact O-N 3.34Å; P203-L206 HydrophobicContact CB-CB 4.46Å; P203-L206 HydrophobicContact CB-CD1 4.28Å; P203-L206 HydrophobicContact CG-CD1 3.87Å; P203-L206 WeakPolarHBondContact O-CB 3.34Å; P203-L206 PolarHBondContact O-N 3.3Å
204T49.6Very low58.8Low151 Ų151101 Ų10193%0.92654%0.538SS*.THydrogen-bonded Turntrans-51.9-26.9-172.8-470000113.6K202K202-T204 PolarHBondContact O-N 2.9Å
205E51.2Low59.2Low112 Ų11299.6 Ų99.652%0.52353%0.531SS..THydrogen-bonded Turntrans-93.46.8-177.4-63.1178.6-173.300115P203 P207P203-E205 PolarHBondContact O-N 3.34Å; E205-P207 WeakPolarHBondContact O-CD 3.36Å
206L52.8Low59.5Low18 Ų18102.1 Ų102.19%0.09455%0.548CS..SBendtrans-91.3116.8-172-138.8166.2000109.9W189 K202 P203 T208W189-L206 HydrophobicContact CZ2-CD1 4.22Å; K202-L206 HydrophobicContact CD-CB 3.86Å; K202-L206 WeakPolarHBondContact CE-O 3.27Å; K202-L206 HydrophobicContact CG-CB 3.71Å; K202-L206 HydrophobicContact CG-CD1 4.04Å; K202-L206 HydrophobicContact CG-CG 4.42Å; K202-L206 PolarHBondContact NZ-O 3.17Å; P203-L206 HydrophobicContact CB-CB 4.46Å; P203-L206 HydrophobicContact CB-CD1 4.28Å; P203-L206 HydrophobicContact CG-CD1 3.87Å; P203-L206 WeakPolarHBondContact O-CB 3.34Å; P203-L206 PolarHBondContact O-N 3.3Å; L206-T208 PolarHBondContact O-N 3.45Å
207P43.6Very low59.8Low102 Ų102105.6 Ų105.666%0.66256%0.557SS**  trans-52.3129.4-175.3-24.830.8000111.8K202 E205 G209K202-P207 PolarHBondContact NZ-O 3.42Å; E205-P207 WeakPolarHBondContact O-CD 3.36Å; P207-G209 PolarHBondContact O-N 2.88Å
208T44.8Very low60.5Low134 Ų13498.6 Ų98.682%0.82252%0.52SS*.SBendtrans-56.8-2.4-169.739.90000116.4L206L206-T208 PolarHBondContact O-N 3.45Å
209G45.3Very low61.4Low52 Ų5292.6 Ų92.654%0.53650%0.495SS..  trans-75.3128.1178.200000114.1P207 Q211P207-G209 PolarHBondContact O-N 2.88Å; G209-Q211 PolarHBondContact O-N 3.41Å
210H43.7Very low62.8Low197 Ų19791.4 Ų91.491%0.91249%0.49SS*.  trans-65.513.4169.4-8470.3000114.4
211Q45Very low64Low126 Ų12690.3 Ų90.359%0.58948%0.479SS*.  trans-90.3132.2-163.6-145.7175.541.700111.1G209 L213 R217G209-Q211 PolarHBondContact O-N 3.41Å; Q211-L213 PolarHBondContact O-N 3.48Å; Q211-L213 VanDerWaalsContact O-N 3.14Å; Q211-R217 VanDerWaalsContact OE1-NH1 3.07Å
212R52.2Low65.4Low203 Ų20385.7 Ų85.777%0.76645%0.446SS*.  trans-37.3116.4-178.9-61.2-178.4-175.6-1651.5111.3S214R212-S214 PolarHBondContact O-N 2.75Å; R212-S214 VanDerWaalsContact O-N 3.14Å
213L64.1Low66.9Low37 Ų3786.6 Ų86.619%0.19445%0.453CS..  trans-65.8117.8166.6-92.567.7000108L183 E186 Q211L183-L213 HydrophobicContact CD2-CB 3.71Å; E186-L213 HydrophobicContact CG-CD2 3.91Å; E186-L213 WeakPolarHBondContact OE1-CD1 3.35Å; E186-L213 WeakPolarHBondContact OE1-CD2 3.32Å; E186-L213 WeakPolarHBondContact OE2-CB 3.28Å; Q211-L213 PolarHBondContact O-N 3.48Å; Q211-L213 VanDerWaalsContact O-N 3.14Å
214S78.7Confident68.3Low61 Ų6189.1 Ų89.143%0.42747%0.472SS..  trans-92.8157.3172.1-174.40000109.3R212 T216 R217 T218R212-S214 PolarHBondContact O-N 2.75Å; R212-S214 VanDerWaalsContact O-N 3.14Å; S214-T216 PolarHBondContact O-N 3.43Å; S214-T216 VanDerWaalsContact O-N 3.13Å; S214-R217 PolarHBondContact O-N 2.99Å; S214-T218 PolarHBondContact O-N 2.96Å; S214-T218 VanDerWaalsContact O-N 3.13Å
215F85.6Confident69.6Low58 Ų5883.9 Ų83.925%0.25444%0.437SS..Hα-helixtrans-43-46.2173.7177.1-93.8000112.5P83 I176 I179 R217 T218 A219P83-F215 HydrophobicContact CB-CD2 3.9Å; P83-F215 HydrophobicContact CB-CE2 3.95Å; P83-F215 HydrophobicContact CG-CD2 4.42Å; I176-F215 HydrophobicContact CD1-CE2 4.12Å; I176-F215 HydrophobicContact CD1-CZ 3.89Å; I179-F215 HydrophobicContact CB-CE2 4.44Å; I179-F215 HydrophobicContact CD1-CE2 3.89Å; I179-F215 HydrophobicContact CD1-CZ 3.98Å; I179-F215 HydrophobicContact CG2-CD2 3.68Å; I179-F215 HydrophobicContact CG2-CE2 3.91Å; F215-R217 PolarHBondContact O-N 3.47Å; F215-T218 PolarHBondContact O-N 2.79Å; F215-A219 WeakPolarHBondContact O-CB 3.47Å; F215-A219 PolarHBondContact O-N 3.36Å
216T86.6Confident70.8Confident94 Ų9480.5 Ų80.558%0.57743%0.432SS*.Hα-helixtrans-68.3-35.9-177.355.90000113.2S214 K220S214-T216 PolarHBondContact O-N 3.43Å; S214-T216 VanDerWaalsContact O-N 3.13Å; T216-K220 VanDerWaalsContact O-CB 3.31Å; T216-K220 WeakPolarHBondContact O-CB 3.37Å; T216-K220 PolarHBondContact O-N 3.38Å
217R85.1Confident72.3Confident122 Ų12281.1 Ų81.146%0.4644%0.442SS..Hα-helixtrans-70.7-43.2177.9-71-172.9178.2174.2-2.7110.9Q211 S214 F215 A219 K220 Q221Q211-R217 VanDerWaalsContact OE1-NH1 3.07Å; S214-R217 PolarHBondContact O-N 2.99Å; F215-R217 PolarHBondContact O-N 3.47Å; R217-A219 VanDerWaalsContact C-N 3.34Å; R217-K220 PolarHBondContact O-N 3.05Å; R217-Q221 VanDerWaalsContact O-CB 3.29Å; R217-Q221 WeakPolarHBondContact O-CB 3.48Å; R217-Q221 PolarHBondContact O-N 3.23Å
218T87.1Confident74.4Confident3 Ų382 Ų822%0.01844%0.44CS..Hα-helixtrans-63.8-41.5175.3-55.60000111.4I179 R182 L183 S214 F215 Q221 L222I179-T218 HydrophobicContact CG2-CG2 4.07Å; R182-T218 HydrophobicContact CB-CG2 3.73Å; L183-T218 VanDerWaalsContact CD2-OG1 3.27Å; L183-T218 WeakPolarHBondContact CD2-OG1 3.47Å; L183-T218 HydrophobicContact CG-CG2 4.28Å; S214-T218 PolarHBondContact O-N 2.96Å; S214-T218 VanDerWaalsContact O-N 3.13Å; F215-T218 PolarHBondContact O-N 2.79Å; T218-Q221 PolarHBondContact O-N 3.38Å; T218-L222 VanDerWaalsContact O-CB 3.31Å; T218-L222 WeakPolarHBondContact O-CB 3.25Å; T218-L222 PolarHBondContact O-N 2.95Å
219A88.9Confident76.3Confident17 Ų1782.7 Ų82.714%0.1444%0.438CS..Hα-helixtrans-61-48.2173.700000111.7I179 F215 R217 Q221 L222 I223I179-A219 HydrophobicContact CD1-CB 3.88Å; F215-A219 WeakPolarHBondContact O-CB 3.47Å; F215-A219 PolarHBondContact O-N 3.36Å; R217-A219 VanDerWaalsContact C-N 3.34Å; A219-Q221 VanDerWaalsContact C-N 3.35Å; A219-Q221 PolarHBondContact O-N 3.47Å; A219-L222 PolarHBondContact O-N 3.34Å; A219-I223 VanDerWaalsContact O-CG1 3.3Å; A219-I223 WeakPolarHBondContact O-CG1 3.45Å; A219-I223 PolarHBondContact O-N 3.14Å
220K88.2Confident78.2Confident162 Ų16280.8 Ų80.870%0.70442%0.417SS*.Hα-helixtrans-60.5-43.6177.3-173.9176.6-178.8177.80111.9T216 R217 L222 I223 S224T216-K220 VanDerWaalsContact O-CB 3.31Å; T216-K220 WeakPolarHBondContact O-CB 3.37Å; T216-K220 PolarHBondContact O-N 3.38Å; R217-K220 PolarHBondContact O-N 3.05Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 3.41Å; K220-I223 PolarHBondContact O-N 2.88Å; K220-S224 PolarHBondContact O-N 3.46Å; K220-S224 PolarHBondContact O-OG 2.99Å
221Q83.7Confident80.4Confident47 Ų4772.5 Ų72.522%0.2238%0.38CS..Hα-helixtrans-60.1-44.5176.7-180-175.9-14.100111.2R217 T218 A219 S224 E225R217-Q221 VanDerWaalsContact O-CB 3.29Å; R217-Q221 WeakPolarHBondContact O-CB 3.48Å; R217-Q221 PolarHBondContact O-N 3.23Å; T218-Q221 PolarHBondContact O-N 3.38Å; A219-Q221 VanDerWaalsContact C-N 3.35Å; A219-Q221 PolarHBondContact O-N 3.47Å; Q221-S224 VanDerWaalsContact C-OG 3.31Å; Q221-S224 VanDerWaalsContact CA-OG 3.31Å; Q221-S224 WeakPolarHBondContact CA-OG 3.23Å; Q221-S224 PolarHBondContact O-N 3.45Å; Q221-S224 PolarHBondContact O-OG 3.32Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.44Å; Q221-E225 PolarHBondContact NE2-OE1 2.93Å; Q221-E225 WeakPolarHBondContact O-CG 3.49Å; Q221-E225 PolarHBondContact O-N 3.14Å
222L86.1Confident82.5Confident3 Ų371 Ų712%0.01637%0.369CS..Hα-helixtrans-67.4-38.9-179.3-17754.3000112.2L178 I179 T218 A219 K220 S224 E225 G226 L231L178-L222 HydrophobicContact CB-CD2 4.38Å; L178-L222 HydrophobicContact CD2-CD1 3.99Å; L178-L222 HydrophobicContact CD2-CD2 3.46Å; L178-L222 VanDerWaalsContact CD2-CD2 3.46Å; L178-L222 HydrophobicContact CD2-CG 4.24Å; L178-L222 HydrophobicContact CG-CD2 3.58Å; I179-L222 HydrophobicContact CG1-CD2 4.39Å; T218-L222 VanDerWaalsContact O-CB 3.31Å; T218-L222 WeakPolarHBondContact O-CB 3.25Å; T218-L222 PolarHBondContact O-N 2.95Å; A219-L222 PolarHBondContact O-N 3.34Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 3.41Å; L222-S224 VanDerWaalsContact C-N 3.31Å; L222-E225 PolarHBondContact O-N 3.43Å; L222-G226 PolarHBondContact O-N 2.95Å; L222-G226 VanDerWaalsContact O-N 3.11Å; L222-L231 HydrophobicContact CB-CD2 4.42Å; L222-L231 HydrophobicContact CD2-CD2 3.59Å; L222-L231 HydrophobicContact CG-CD2 3.96Å
223I87.1Confident84Confident76 Ų7663 Ų6339%0.3934%0.339SS..Hα-helixtrans-64.1-37.6172-66.1165.7000110.6A219 K220 G227 L231A219-I223 VanDerWaalsContact O-CG1 3.3Å; A219-I223 WeakPolarHBondContact O-CG1 3.45Å; A219-I223 PolarHBondContact O-N 3.14Å; K220-I223 PolarHBondContact O-N 2.88Å; I223-G227 WeakPolarHBondContact O-CA 3.08Å; I223-G227 PolarHBondContact O-N 2.86Å; I223-L231 HydrophobicContact CD1-CD1 4.43Å; I223-L231 HydrophobicContact CG1-CD1 4.14Å; I223-L231 HydrophobicContact CG1-CD2 4.39Å; I223-L231 HydrophobicContact CG1-CG 4.31Å
224S84.1Confident85Confident97 Ų9761.7 Ų61.768%0.67833%0.334SS*.Hα-helixtrans-71.6-29175.257.90000113.9K220 Q221 L222K220-S224 PolarHBondContact O-N 3.46Å; K220-S224 PolarHBondContact O-OG 2.99Å; Q221-S224 VanDerWaalsContact C-OG 3.31Å; Q221-S224 VanDerWaalsContact CA-OG 3.31Å; Q221-S224 WeakPolarHBondContact CA-OG 3.23Å; Q221-S224 PolarHBondContact O-N 3.45Å; Q221-S224 PolarHBondContact O-OG 3.32Å; L222-S224 VanDerWaalsContact C-N 3.31Å
225E78.7Confident85.5Confident41 Ų4158.8 Ų58.819%0.19231%0.314CS..Hα-helixtrans-80.1-31.4-179.5-77.4177.5-152.400113.8R182 Q221 L222R182-E225 IonicContact CZ-OE2 3.8Å; R182-E225 VanDerWaalsContact CZ-OE2 3.23Å; R182-E225 IonicContact NH1-OE1 2.82Å; R182-E225 PolarHBondContact NH1-OE1 2.96Å; R182-E225 IonicContact NH1-OE2 3.36Å; R182-E225 PolarHBondContact NH1-OE2 2.89Å; R182-E225 IonicContact NH2-OE2 3.72Å; R182-E225 PolarHBondContact NH2-OE2 2.95Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.44Å; Q221-E225 PolarHBondContact NE2-OE1 2.93Å; Q221-E225 WeakPolarHBondContact O-CG 3.49Å; Q221-E225 PolarHBondContact O-N 3.14Å; L222-E225 PolarHBondContact O-N 3.43Å
226G76.2Confident85.6Confident40 Ų4061.5 Ų61.541%0.41233%0.33SS..Hα-helixtrans-147.912.9-172.400000115.1L222 G230L222-G226 PolarHBondContact O-N 2.95Å; L222-G226 VanDerWaalsContact O-N 3.11Å; G226-G230 WeakPolarHBondContact O-CA 3.23Å; G226-G230 PolarHBondContact O-N 3.2Å
227G83.9Confident85.8Confident31 Ų3157.4 Ų57.432%0.3231%0.305SS..THydrogen-bonded Turntrans66.3-165.9-173.400000112.9I223 I229 G230I223-G227 WeakPolarHBondContact O-CA 3.08Å; I223-G227 PolarHBondContact O-N 2.86Å; G227-I229 VanDerWaalsContact C-N 3.32Å; G227-I229 PolarHBondContact O-N 2.94Å; G227-G230 PolarHBondContact O-N 3.49Å
228I86.6Confident86.1Confident121 Ų12151.6 Ų51.662%0.62128%0.283SS*.THydrogen-bonded Turntrans-66.9-35.4179.1-63.6145000110.9G230 L231 W232I228-G230 PolarHBondContact O-N 3.41Å; I228-L231 HydrophobicContact CG2-CD1 4.47Å; I228-L231 VanDerWaalsContact O-CB 3.26Å; I228-L231 WeakPolarHBondContact O-CB 3.1Å; I228-L231 PolarHBondContact O-N 3.49Å; I228-L231 VanDerWaalsContact O-N 3.13Å; I228-W232 HydrophobicContact CG2-CZ3 4.42Å
229I86.5Confident86.3Confident149 Ų14952.8 Ų52.876%0.76429%0.291SS*.G310 helixtrans-65.4-31.2176.4-60171.4000110.7G227 L231 W232G227-I229 VanDerWaalsContact C-N 3.32Å; G227-I229 PolarHBondContact O-N 2.94Å; I229-L231 PolarHBondContact O-N 3.43Å; I229-L231 VanDerWaalsContact O-N 3.1Å; I229-W232 PolarHBondContact O-N 2.97Å
230G84.8Confident86.4Confident11 Ų1155.9 Ų55.911%0.11330%0.302CS..G310 helixtrans-55.9-24.4173.500000114.1L178 G226 G227 I228 W232 R233L178-G230 VanDerWaalsContact CD2-O 3.22Å; L178-G230 WeakPolarHBondContact CD2-O 3.42Å; G226-G230 WeakPolarHBondContact O-CA 3.23Å; G226-G230 PolarHBondContact O-N 3.2Å; G227-G230 PolarHBondContact O-N 3.49Å; I228-G230 PolarHBondContact O-N 3.41Å; G230-W232 PolarHBondContact O-N 3.34Å; G230-R233 WeakPolarHBondContact O-CB 3.27Å; G230-R233 PolarHBondContact O-N 2.92Å; G230-R233 VanDerWaalsContact O-N 3.14Å
231L88.5Confident86.5Confident24 Ų2450.6 Ų50.613%0.12628%0.278CS..G310 helixtrans-65.4-25174.4-67166.6000113P175 L178 L222 I223 I228 I229 R233P175-L231 VanDerWaalsContact CA-O 3.26Å; P175-L231 WeakPolarHBondContact CA-O 3.36Å; P175-L231 HydrophobicContact CB-CB 4Å; P175-L231 HydrophobicContact CG-CB 4.14Å; L178-L231 VanDerWaalsContact CD2-O 3.3Å; L178-L231 WeakPolarHBondContact CD2-O 3.42Å; L222-L231 HydrophobicContact CB-CD2 4.42Å; L222-L231 HydrophobicContact CD2-CD2 3.59Å; L222-L231 HydrophobicContact CG-CD2 3.96Å; I223-L231 HydrophobicContact CD1-CD1 4.43Å; I223-L231 HydrophobicContact CG1-CD1 4.14Å; I223-L231 HydrophobicContact CG1-CD2 4.39Å; I223-L231 HydrophobicContact CG1-CG 4.31Å; I228-L231 HydrophobicContact CG2-CD1 4.47Å; I228-L231 VanDerWaalsContact O-CB 3.26Å; I228-L231 WeakPolarHBondContact O-CB 3.1Å; I228-L231 PolarHBondContact O-N 3.49Å; I228-L231 VanDerWaalsContact O-N 3.13Å; I229-L231 PolarHBondContact O-N 3.43Å; I229-L231 VanDerWaalsContact O-N 3.1Å; L231-R233 VanDerWaalsContact C-N 3.33Å
232W90.2Very high86.7Confident93 Ų9348.4 Ų48.435%0.35227%0.268SS..G310 helixtrans-92.811.3175.5-82-94.4000113.3F171 P175 I228 I229 G230 G234 G235F171-W232 AromaticContact CE1-NE1 3.76Å; F171-W232 AromaticContact CE2-CD1 3.62Å; F171-W232 AromaticContact CZ-CD1 3.61Å; F171-W232 HydrophobicContact CZ-CG 4.46Å; F171-W232 AromaticContact CZ-NE1 3.77Å; F171-W232 PolarHBondContact O-NE1 2.95Å; F171-W232 VanDerWaalsContact O-NE1 3.14Å; P175-W232 HydrophobicContact CG-CD2 3.78Å; P175-W232 HydrophobicContact CG-CE3 4.05Å; P175-W232 HydrophobicContact CG-CG 4.4Å; P175-W232 HydrophobicContact CG-CH2 3.93Å; P175-W232 HydrophobicContact CG-CZ2 3.64Å; P175-W232 HydrophobicContact CG-CZ3 4.12Å; I228-W232 HydrophobicContact CG2-CZ3 4.42Å; I229-W232 PolarHBondContact O-N 2.97Å; G230-W232 PolarHBondContact O-N 3.34Å; W232-G234 PolarHBondContact O-N 2.86Å; W232-G235 WeakPolarHBondContact O-CA 3.5Å; W232-G235 PolarHBondContact O-N 2.98Å
233R83.7Confident86.9Confident37 Ų3749.3 Ų49.314%0.1428%0.276CS..THydrogen-bonded Turntrans-62.5125.9176.5-174.3176.6-177.2166-2110.7L178 G230 L231 G235 Q301 T303L178-R233 HydrophobicContact CD2-CB 3.95Å; G230-R233 WeakPolarHBondContact O-CB 3.27Å; G230-R233 PolarHBondContact O-N 2.92Å; G230-R233 VanDerWaalsContact O-N 3.14Å; L231-R233 VanDerWaalsContact C-N 3.33Å; R233-G235 PolarHBondContact O-N 3.29Å; R233-Q301 VanDerWaalsContact NE-NE2 3.1Å; R233-Q301 VanDerWaalsContact NH2-CG 3.28Å; R233-T303 PolarHBondContact NH1-OG1 2.74Å
234G85.2Confident86.9Confident8 Ų849.7 Ų49.78%0.08228%0.278CS..THydrogen-bonded Turntrans76.18-174.100000114W232 P237 N238W232-G234 PolarHBondContact O-N 2.86Å; G234-P237 VanDerWaalsContact O-CD 3.31Å; G234-P237 WeakPolarHBondContact O-CD 3.49Å; G234-N238 WeakPolarHBondContact O-CB 3.42Å; G234-N238 PolarHBondContact O-N 3.25Å
235G88.3Confident87.1Confident1 Ų145.8 Ų45.81%0.0125%0.25CS..Hα-helixtrans-61.1-41.6175.100000112.8W232 R233 N238 V239W232-G235 WeakPolarHBondContact O-CA 3.5Å; W232-G235 PolarHBondContact O-N 2.98Å; R233-G235 PolarHBondContact O-N 3.29Å; G235-N238 VanDerWaalsContact O-CB 3.27Å; G235-N238 WeakPolarHBondContact O-CB 3.34Å; G235-N238 PolarHBondContact O-N 3.45Å; G235-N238 VanDerWaalsContact O-N 3.15Å; G235-V239 WeakPolarHBondContact O-CG2 3.31Å; G235-V239 PolarHBondContact O-N 2.89Å
236L88.8Confident87.4Confident114 Ų11445.3 Ų45.360%0.59725%0.249SC*.Hα-helixtrans-60.6-53.4174.9178.767.8000112.7N238 V239 Q240L236-N238 PolarHBondContact O-N 3.39Å; L236-V239 PolarHBondContact O-N 3.47Å; L236-V239 VanDerWaalsContact O-N 3.16Å; L236-Q240 HydrophobicContact CD1-CG 4.31Å; L236-Q240 HydrophobicContact CG-CG 4.45Å; L236-Q240 WeakPolarHBondContact O-CG 3.48Å; L236-Q240 PolarHBondContact O-N 3.37Å
237P90.3Very high87.8Confident8 Ų847.9 Ų47.95%0.05225%0.251CS..Hα-helixtrans-55-34.6172.4-14.111.7000113.1G234 R241 K295 M298 V319G234-P237 VanDerWaalsContact O-CD 3.31Å; G234-P237 WeakPolarHBondContact O-CD 3.49Å; P237-R241 WeakPolarHBondContact O-CB 3.3Å; P237-R241 PolarHBondContact O-N 3.5Å; P237-K295 HydrophobicContact CB-CB 4.25Å; P237-M298 HydrophobicContact CB-SD 4.43Å; P237-M298 HydrophobicContact CG-CB 4.46Å; P237-M298 HydrophobicContact CG-CE 3.91Å; P237-M298 HydrophobicContact CG-SD 3.55Å; P237-M298 VanDerWaalsContact CG-SD 3.55Å; P237-V319 HydrophobicContact CB-CG2 4.1Å; P237-V319 HydrophobicContact CG-CG2 3.66Å
238N91.3Very high87.9Confident0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-65.4-43.9178.2-167.926.1000112.8Q170 S174 D177 G234 G235 L236 A242 K295 M299Q170-N238 VanDerWaalsContact NE2-CG 3.26Å; Q170-N238 PolarHBondContact NE2-ND2 2.75Å; Q170-N238 PolarHBondContact NE2-OD1 3.33Å; S174-N238 PolarHBondContact OG-ND2 2.99Å; D177-N238 PolarHBondContact OD2-ND2 3.2Å; G234-N238 WeakPolarHBondContact O-CB 3.42Å; G234-N238 PolarHBondContact O-N 3.25Å; G235-N238 VanDerWaalsContact O-CB 3.27Å; G235-N238 WeakPolarHBondContact O-CB 3.34Å; G235-N238 PolarHBondContact O-N 3.45Å; G235-N238 VanDerWaalsContact O-N 3.15Å; L236-N238 PolarHBondContact O-N 3.39Å; N238-A242 PolarHBondContact O-N 3.05Å; N238-A242 VanDerWaalsContact O-N 3.13Å; N238-K295 HydrophobicContact CB-CD 4.3Å; N238-K295 WeakPolarHBondContact OD1-CE 3.25Å; N238-K295 PolarHBondContact OD1-NZ 3.11Å; N238-M299 HydrophobicContact CB-CE 4.24Å
239V92.2Very high87.9Confident29 Ų2944.1 Ų44.118%0.17622%0.224CC..Hα-helixtrans-66.7-48.1175174.50000110.9F171 G235 L236 R241 A242 A243F171-V239 HydrophobicContact CB-CG2 3.79Å; F171-V239 HydrophobicContact CD2-CG2 4.36Å; G235-V239 WeakPolarHBondContact O-CG2 3.31Å; G235-V239 PolarHBondContact O-N 2.89Å; L236-V239 PolarHBondContact O-N 3.47Å; L236-V239 VanDerWaalsContact O-N 3.16Å; V239-R241 VanDerWaalsContact C-N 3.31Å; V239-R241 PolarHBondContact O-N 2.93Å; V239-A242 WeakPolarHBondContact O-CB 3.23Å; V239-A242 PolarHBondContact O-N 3.23Å; V239-A243 PolarHBondContact O-N 2.95Å
240Q89.7Confident87.7Confident82 Ų8240.5 Ų40.538%0.38321%0.206SC..Hα-helixtrans-55.4-47177.3-73.9176.5-31.900111.4L236 A242 A243 L244L236-Q240 HydrophobicContact CD1-CG 4.31Å; L236-Q240 HydrophobicContact CG-CG 4.45Å; L236-Q240 WeakPolarHBondContact O-CG 3.48Å; L236-Q240 PolarHBondContact O-N 3.37Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.46Å; Q240-A243 PolarHBondContact O-N 3.11Å; Q240-L244 WeakPolarHBondContact O-CB 3.36Å; Q240-L244 VanDerWaalsContact O-CG 3.28Å; Q240-L244 WeakPolarHBondContact O-CG 3.48Å; Q240-L244 PolarHBondContact O-N 3.24Å
241R90.7Very high87.8Confident50 Ų5043.7 Ų43.719%0.18922%0.223CC..Hα-helixtrans-58.3-42.8174.8177.2-123.876.589.4-5112.3P237 V239 V245 A291 D292P237-R241 WeakPolarHBondContact O-CB 3.3Å; P237-R241 PolarHBondContact O-N 3.5Å; V239-R241 VanDerWaalsContact C-N 3.31Å; V239-R241 PolarHBondContact O-N 2.93Å; R241-V245 WeakPolarHBondContact O-CG2 3.47Å; R241-V245 PolarHBondContact O-N 3.37Å; R241-V245 VanDerWaalsContact O-N 3.07Å; R241-A291 HydrophobicContact CB-CB 4.22Å; R241-A291 HydrophobicContact CG-CB 4.4Å; R241-D292 WeakPolarHBondContact CD-OD1 3.24Å; R241-D292 WeakPolarHBondContact CG-OD1 3.16Å; R241-D292 IonicContact NH1-OD1 3.79Å
242A89Confident87.8Confident1 Ų143.7 Ų43.71%0.00822%0.224CC..Hα-helixtrans-66.1-43.117800000112.3Q170 N238 V239 Q240 N246Q170-A242 HydrophobicContact CB-CB 4.18Å; Q170-A242 HydrophobicContact CG-CB 3.95Å; N238-A242 PolarHBondContact O-N 3.05Å; N238-A242 VanDerWaalsContact O-N 3.13Å; V239-A242 WeakPolarHBondContact O-CB 3.23Å; V239-A242 PolarHBondContact O-N 3.23Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.46Å; A242-N246 WeakPolarHBondContact O-CB 3.29Å; A242-N246 PolarHBondContact O-N 3.12Å; A242-N246 VanDerWaalsContact O-N 3.12Å; A242-N246 PolarHBondContact O-ND2 3.42Å; A242-N246 VanDerWaalsContact O-ND2 3.15Å
243A88.7Confident87.7Confident22 Ų2242.2 Ų42.218%0.18222%0.219CC..Hα-helixtrans-62.7-46.717600000111.8V163 V239 Q240 N246 M247V163-A243 HydrophobicContact CG1-CB 4.22Å; V239-A243 PolarHBondContact O-N 2.95Å; Q240-A243 PolarHBondContact O-N 3.11Å; A243-N246 PolarHBondContact O-N 3.34Å; A243-M247 WeakPolarHBondContact O-CB 3.47Å; A243-M247 PolarHBondContact O-N 2.92Å
244L87.7Confident87.8Confident85 Ų8544.7 Ų44.745%0.44524%0.235SC..Hα-helixtrans-61.7-46.2-179.8-76.3170.9000112.6Q240 G248 A291Q240-L244 WeakPolarHBondContact O-CB 3.36Å; Q240-L244 VanDerWaalsContact O-CG 3.28Å; Q240-L244 WeakPolarHBondContact O-CG 3.48Å; Q240-L244 PolarHBondContact O-N 3.24Å; L244-G248 PolarHBondContact O-N 2.85Å; L244-A291 HydrophobicContact CD1-CB 4.04Å
245V88Confident87.9Confident15 Ų1549 Ų499%0.09126%0.26CS..Hα-helixtrans-65.1-48179.6171.70000110.5R241 M247 G248 E249R241-V245 WeakPolarHBondContact O-CG2 3.47Å; R241-V245 PolarHBondContact O-N 3.37Å; R241-V245 VanDerWaalsContact O-N 3.07Å; V245-M247 PolarHBondContact O-N 2.88Å; V245-G248 PolarHBondContact O-N 3.41Å; V245-E249 HydrophobicContact CG1-CG 4.44Å; V245-E249 WeakPolarHBondContact CG1-OE1 3.25Å; V245-E249 WeakPolarHBondContact O-CB 3.41Å; V245-E249 WeakPolarHBondContact O-CG 3.45Å; V245-E249 PolarHBondContact O-N 3.47Å
246N85.7Confident88Confident31 Ų3149.3 Ų49.317%0.16626%0.262CS..Hα-helixtrans-61.5-43.8178.7-69.8-24.3000111.8V163 A242 A243 L250V163-N246 HydrophobicContact CG2-CB 4.1Å; A242-N246 WeakPolarHBondContact O-CB 3.29Å; A242-N246 PolarHBondContact O-N 3.12Å; A242-N246 VanDerWaalsContact O-N 3.12Å; A242-N246 PolarHBondContact O-ND2 3.42Å; A242-N246 VanDerWaalsContact O-ND2 3.15Å; A243-N246 PolarHBondContact O-N 3.34Å; N246-L250 WeakPolarHBondContact O-CB 3.4Å; N246-L250 WeakPolarHBondContact O-CD1 3.37Å; N246-L250 VanDerWaalsContact O-CG 3.26Å; N246-L250 WeakPolarHBondContact O-CG 3.28Å; N246-L250 PolarHBondContact O-N 3.07Å
247M83.7Confident88Confident93 Ų9346.4 Ų46.446%0.45825%0.245SC..Hα-helixtrans-66-42.3179-175.9-177.6-68.100111.8A243 V245 T251A243-M247 WeakPolarHBondContact O-CB 3.47Å; A243-M247 PolarHBondContact O-N 2.92Å; V245-M247 PolarHBondContact O-N 2.88Å; M247-T251 HydrophobicContact CG-CG2 4.32Å; M247-T251 WeakPolarHBondContact O-CB 3.24Å; M247-T251 WeakPolarHBondContact O-CG2 3.2Å; M247-T251 PolarHBondContact O-N 2.86Å; M247-T251 PolarHBondContact O-OG1 2.87Å
248G86Confident87.9Confident5 Ų555.2 Ų55.25%0.05228%0.277CS..Hα-helixtrans-64.5-42.2177.300000112.1L244 V245 T252L244-G248 PolarHBondContact O-N 2.85Å; V245-G248 PolarHBondContact O-N 3.41Å; G248-T252 WeakPolarHBondContact O-CB 3.42Å; G248-T252 PolarHBondContact O-N 3.15Å; G248-T252 VanDerWaalsContact O-N 3.07Å; G248-T252 PolarHBondContact O-OG1 3.42Å
249E86.2Confident87.8Confident68 Ų6862.3 Ų62.332%0.31830%0.304SS..Hα-helixtrans-63-49176.6-74.4176.7-176.700111.7V245 Y253 A284V245-E249 HydrophobicContact CG1-CG 4.44Å; V245-E249 WeakPolarHBondContact CG1-OE1 3.25Å; V245-E249 WeakPolarHBondContact O-CB 3.41Å; V245-E249 WeakPolarHBondContact O-CG 3.45Å; V245-E249 PolarHBondContact O-N 3.47Å; E249-Y253 WeakPolarHBondContact O-CB 3.48Å; E249-Y253 PolarHBondContact O-N 3.03Å; E249-A284 HydrophobicContact CG-CB 3.45Å; E249-A284 VanDerWaalsContact CG-CB 3.45Å
250L82.9Confident87.7Confident74 Ų7462.5 Ų62.539%0.38730%0.302SS..Hα-helixtrans-64.8-54.2-177.4-70.6166.6000112A159 V163 N246 T252 Y253 D254A159-L250 HydrophobicContact CB-CD1 3.86Å; V163-L250 HydrophobicContact CG2-CD1 4.35Å; N246-L250 WeakPolarHBondContact O-CB 3.4Å; N246-L250 WeakPolarHBondContact O-CD1 3.37Å; N246-L250 VanDerWaalsContact O-CG 3.26Å; N246-L250 WeakPolarHBondContact O-CG 3.28Å; N246-L250 PolarHBondContact O-N 3.07Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 3.31Å; L250-Y253 PolarHBondContact O-N 3.35Å; L250-D254 PolarHBondContact O-N 2.98Å
251T86.7Confident87.7Confident78 Ų7860.1 Ų60.148%0.47930%0.297SS..Hα-helixtrans-65.5-38.7-176.3560000111.9M247 T255M247-T251 HydrophobicContact CG-CG2 4.32Å; M247-T251 WeakPolarHBondContact O-CB 3.24Å; M247-T251 WeakPolarHBondContact O-CG2 3.2Å; M247-T251 PolarHBondContact O-N 2.86Å; M247-T251 PolarHBondContact O-OG1 2.87Å; T251-T255 VanDerWaalsContact O-CB 3.32Å; T251-T255 WeakPolarHBondContact O-CB 3.45Å; T251-T255 PolarHBondContact O-N 2.98Å; T251-T255 VanDerWaalsContact O-N 3.15Å; T251-T255 PolarHBondContact O-OG1 3.24Å
252T88.7Confident87.6Confident23 Ų2363 Ų6314%0.14132%0.319CS..Hα-helixtrans-73-35.4178-50.40000111.5G248 L250 T255 S256 T279 V283G248-T252 WeakPolarHBondContact O-CB 3.42Å; G248-T252 PolarHBondContact O-N 3.15Å; G248-T252 VanDerWaalsContact O-N 3.07Å; G248-T252 PolarHBondContact O-OG1 3.42Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 3.31Å; T252-T255 PolarHBondContact O-N 2.9Å; T252-S256 WeakPolarHBondContact O-CB 3.34Å; T252-S256 PolarHBondContact O-N 2.83Å; T252-S256 PolarHBondContact O-OG 3.46Å; T252-T279 HydrophobicContact CG2-CG2 4.48Å; T252-V283 HydrophobicContact CG2-CB 3.81Å; T252-V283 HydrophobicContact CG2-CG1 4.17Å; T252-V283 HydrophobicContact CG2-CG2 3.79Å; T252-V283 WeakPolarHBondContact OG1-CG1 3.33Å
253Y87.7Confident87.6Confident62 Ų6271.5 Ų71.524%0.24335%0.351CS..Hα-helixtrans-61-50.5177.8-176.9-94.8000111.4E249 L250 T255 S256 K257 H273 A276 S277E249-Y253 WeakPolarHBondContact O-CB 3.48Å; E249-Y253 PolarHBondContact O-N 3.03Å; L250-Y253 PolarHBondContact O-N 3.35Å; Y253-T255 PolarHBondContact O-N 3.26Å; Y253-S256 PolarHBondContact O-N 3.44Å; Y253-S256 PolarHBondContact O-OG 3.5Å; Y253-K257 VanDerWaalsContact O-CB 3.25Å; Y253-K257 WeakPolarHBondContact O-CB 3.47Å; Y253-K257 PolarHBondContact O-N 3.39Å; Y253-H273 AromaticContact CZ-ND1 3.99Å; Y253-H273 PolarHBondContact OH-ND1 2.85Å; Y253-A276 HydrophobicContact CD2-CB 3.96Å; Y253-A276 HydrophobicContact CE2-CB 3.82Å; Y253-S277 WeakPolarHBondContact CE2-OG 3.49Å
254D85.7Confident87.6Confident90 Ų9076.3 Ų76.348%0.48137%0.368SS..Hα-helixtrans-64.8-42.4-179.7-68.7-31.8000111.5L250 R258L250-D254 PolarHBondContact O-N 2.98Å; D254-R258 WeakPolarHBondContact O-CB 3.37Å; D254-R258 PolarHBondContact O-N 3.11Å
255T88.9Confident87.4Confident98 Ų9880.5 Ų80.560%0.60139%0.386SS*.Hα-helixtrans-64.8-45.7178.4-55.30000111.5T251 T252 Y253 R258 W259T251-T255 VanDerWaalsContact O-CB 3.32Å; T251-T255 WeakPolarHBondContact O-CB 3.45Å; T251-T255 PolarHBondContact O-N 2.98Å; T251-T255 VanDerWaalsContact O-N 3.15Å; T251-T255 PolarHBondContact O-OG1 3.24Å; T252-T255 PolarHBondContact O-N 2.9Å; Y253-T255 PolarHBondContact O-N 3.26Å; T255-R258 PolarHBondContact O-N 3.31Å; T255-W259 WeakPolarHBondContact O-CB 3.41Å; T255-W259 PolarHBondContact O-N 3.06Å
256S89.4Confident87Confident8 Ų882.6 Ų82.66%0.05640%0.396CS..Hα-helixtrans-69-42-179.961.50000111.5T252 Y253 R258 W259 F260 A276T252-S256 WeakPolarHBondContact O-CB 3.34Å; T252-S256 PolarHBondContact O-N 2.83Å; T252-S256 PolarHBondContact O-OG 3.46Å; Y253-S256 PolarHBondContact O-N 3.44Å; Y253-S256 PolarHBondContact O-OG 3.5Å; S256-R258 VanDerWaalsContact C-N 3.33Å; S256-R258 PolarHBondContact O-N 2.93Å; S256-W259 PolarHBondContact O-N 3.32Å; S256-F260 WeakPolarHBondContact O-CD2 3.49Å; S256-F260 PolarHBondContact O-N 3.48Å; S256-A276 WeakPolarHBondContact OG-CA 3.46Å; S256-A276 PolarHBondContact OG-O 2.7Å
257K89.5Confident87Confident53 Ų5389.4 Ų89.423%0.2343%0.427CS..Hα-helixtrans-56.1-49.6173.8-174.2-174.7178.4-172.30110.5Y253 W259 F260 A261 D268 L272 A276Y253-K257 VanDerWaalsContact O-CB 3.25Å; Y253-K257 WeakPolarHBondContact O-CB 3.47Å; Y253-K257 PolarHBondContact O-N 3.39Å; K257-W259 VanDerWaalsContact C-N 3.33Å; K257-W259 PolarHBondContact O-N 3.08Å; K257-F260 PolarHBondContact O-N 3.14Å; K257-A261 VanDerWaalsContact O-CB 3.27Å; K257-A261 WeakPolarHBondContact O-CB 3.28Å; K257-A261 PolarHBondContact O-N 3.39Å; K257-D268 WeakPolarHBondContact CE-OD1 3.28Å; K257-D268 IonicContact NZ-OD1 2.74Å; K257-D268 PolarHBondContact NZ-OD1 3.04Å; K257-L272 HydrophobicContact CG-CD1 4.32Å; K257-L272 HydrophobicContact CG-CD2 4.03Å; K257-L272 HydrophobicContact CG-CG 4.07Å; K257-A276 HydrophobicContact CB-CB 3.97Å
258R87.5Confident86.8Confident193 Ų19390.8 Ų90.873%0.72844%0.436SS*.Hα-helixtrans-62.4-41.5178.1-168.8178.4-179.495.70111.7D254 T255 S256 V262D254-R258 WeakPolarHBondContact O-CB 3.37Å; D254-R258 PolarHBondContact O-N 3.11Å; T255-R258 PolarHBondContact O-N 3.31Å; S256-R258 VanDerWaalsContact C-N 3.33Å; S256-R258 PolarHBondContact O-N 2.93Å; R258-V262 WeakPolarHBondContact O-CB 3.02Å; R258-V262 VanDerWaalsContact O-CG2 3.3Å; R258-V262 WeakPolarHBondContact O-CG2 3.45Å; R258-V262 PolarHBondContact O-N 3.36Å
259W89.2Confident86.8Confident149 Ų14992.1 Ų92.156%0.56445%0.45SS*.Hα-helixtrans-63.5-47.2178.8-172.386.6000112.3T255 S256 K257 V262 R263 F264T255-W259 WeakPolarHBondContact O-CB 3.41Å; T255-W259 PolarHBondContact O-N 3.06Å; S256-W259 PolarHBondContact O-N 3.32Å; K257-W259 VanDerWaalsContact C-N 3.33Å; K257-W259 PolarHBondContact O-N 3.08Å; W259-V262 PolarHBondContact O-N 3.13Å; W259-R263 HydrophobicContact CH2-CG 4.43Å; W259-R263 HydrophobicContact CZ2-CG 4.33Å; W259-R263 WeakPolarHBondContact O-CB 3.28Å; W259-R263 PolarHBondContact O-N 3.25Å; W259-F264 HydrophobicContact CH2-CE2 4.23Å; W259-F264 AromaticContact CZ3-CE2 3.88Å; W259-F264 HydrophobicContact CZ3-CE2 3.88Å
260F90.5Very high86.8Confident32 Ų3294 Ų9414%0.1447%0.466CS..Hα-helixtrans-66.5-41.5177.5-76.8-65.6000112.5S256 K257 F264 L266 L272 C275 T279S256-F260 WeakPolarHBondContact O-CD2 3.49Å; S256-F260 PolarHBondContact O-N 3.48Å; K257-F260 PolarHBondContact O-N 3.14Å; F260-F264 AromaticContact CD1-CD2 3.7Å; F260-F264 HydrophobicContact CD1-CD2 3.7Å; F260-F264 AromaticContact CD1-CE2 3.75Å; F260-F264 HydrophobicContact CD1-CE2 3.75Å; F260-F264 HydrophobicContact CE1-CD2 4.4Å; F260-F264 HydrophobicContact CE1-CE2 4.01Å; F260-F264 WeakPolarHBondContact O-CB 3.49Å; F260-F264 PolarHBondContact O-N 2.94Å; F260-L266 HydrophobicContact CB-CD1 4.41Å; F260-L272 HydrophobicContact CB-CD1 3.51Å; F260-C275 HydrophobicContact CD1-CB 4.43Å; F260-C275 HydrophobicContact CD2-CB 3.99Å; F260-C275 HydrophobicContact CE1-CB 4.32Å; F260-C275 HydrophobicContact CE2-CB 3.9Å; F260-C275 HydrophobicContact CG-CB 4.3Å; F260-C275 HydrophobicContact CZ-CB 4.08Å; F260-T279 WeakPolarHBondContact CE2-OG1 3.24Å
261A89.3Confident87.1Confident33 Ų3396.2 Ų96.227%0.27348%0.478SS..Hα-helixtrans-61-45.3177.100000111.6K257 Q265 L272K257-A261 VanDerWaalsContact O-CB 3.27Å; K257-A261 WeakPolarHBondContact O-CB 3.28Å; K257-A261 PolarHBondContact O-N 3.39Å; A261-Q265 WeakPolarHBondContact O-CA 3.35Å; A261-Q265 PolarHBondContact O-N 3.46Å; A261-L272 HydrophobicContact CB-CD1 4.35Å; A261-L272 HydrophobicContact CB-CD2 4.26Å
262V89.4Confident87.2Confident109 Ų10992.7 Ų92.766%0.66146%0.456SS*.Hα-helixtrans-73-42.5179.6173.90000111.7R258 W259R258-V262 WeakPolarHBondContact O-CB 3.02Å; R258-V262 VanDerWaalsContact O-CG2 3.3Å; R258-V262 WeakPolarHBondContact O-CG2 3.45Å; R258-V262 PolarHBondContact O-N 3.36Å; W259-V262 PolarHBondContact O-N 3.13Å
263R88.8Confident87.2Confident180 Ų18094.9 Ų94.968%0.67946%0.464SS*.Hα-helixtrans-77.6-39.6-171.9-175.857.1179.5142-2.6113.4W259W259-R263 HydrophobicContact CH2-CG 4.43Å; W259-R263 HydrophobicContact CZ2-CG 4.33Å; W259-R263 WeakPolarHBondContact O-CB 3.28Å; W259-R263 PolarHBondContact O-N 3.25Å
264F88Confident87.3Confident123 Ų12396.6 Ų96.654%0.53948%0.476SS..Hα-helixtrans-107.21-176.7-66.9-82.1000113.2W259 F260 L266W259-F264 HydrophobicContact CH2-CE2 4.23Å; W259-F264 AromaticContact CZ3-CE2 3.88Å; W259-F264 HydrophobicContact CZ3-CE2 3.88Å; F260-F264 AromaticContact CD1-CD2 3.7Å; F260-F264 HydrophobicContact CD1-CD2 3.7Å; F260-F264 AromaticContact CD1-CE2 3.75Å; F260-F264 HydrophobicContact CD1-CE2 3.75Å; F260-F264 HydrophobicContact CE1-CD2 4.4Å; F260-F264 HydrophobicContact CE1-CE2 4.01Å; F260-F264 WeakPolarHBondContact O-CB 3.49Å; F260-F264 PolarHBondContact O-N 2.94Å; F264-L266 HydrophobicContact CB-CD1 3.95Å; F264-L266 HydrophobicContact CB-CG 3.75Å; F264-L266 PolarHBondContact O-N 3.09Å; F264-L266 VanDerWaalsContact O-N 3.11Å
265Q84.1Confident87.5Confident173 Ų17394.5 Ų94.581%0.80847%0.468SS*.  trans5332.3-177.1-63173.6-5.300112.2A261 E267A261-Q265 WeakPolarHBondContact O-CA 3.35Å; A261-Q265 PolarHBondContact O-N 3.46Å; Q265-E267 PolarHBondContact O-N 3.06Å
266L79.6Confident87.6Confident59 Ų5989.8 Ų89.831%0.30944%0.439SS..  trans-71.3123.6177.7-69.6169.8000108.8F260 F264 L272F260-L266 HydrophobicContact CB-CD1 4.41Å; F264-L266 HydrophobicContact CB-CD1 3.95Å; F264-L266 HydrophobicContact CB-CG 3.75Å; F264-L266 PolarHBondContact O-N 3.09Å; F264-L266 VanDerWaalsContact O-N 3.11Å; L266-L272 HydrophobicContact CB-CB 4.3Å; L266-L272 HydrophobicContact CB-CD1 4.19Å; L266-L272 HydrophobicContact CD1-CD1 4.36Å
267E84.2Confident87.6Confident174 Ų17492.2 Ų92.281%0.81346%0.456SS*.  trans-66.8167.9169.6-62.2-173.1161.400111.1Q265 G269Q265-E267 PolarHBondContact O-N 3.06Å; E267-G269 PolarHBondContact O-N 3.02Å
268D81.2Confident87.7Confident122 Ų12294.5 Ų94.565%0.65247%0.47SS*.SBendtrans-66.776.8175.9-83.2-41.5000111K257K257-D268 WeakPolarHBondContact CE-OD1 3.28Å; K257-D268 IonicContact NZ-OD1 2.74Å; K257-D268 PolarHBondContact NZ-OD1 3.04Å
269G84.7Confident87.9Confident33 Ų3387.6 Ų87.634%0.3445%0.449SS..SBendtrans-124.8171.6177.300000112.7E267 L271 L272 H273E267-G269 PolarHBondContact O-N 3.02Å; G269-L271 PolarHBondContact O-N 2.86Å; G269-L271 VanDerWaalsContact O-N 3.16Å; G269-L272 PolarHBondContact O-N 3.29Å; G269-L272 VanDerWaalsContact O-N 3.12Å; G269-H273 PolarHBondContact O-CD2 3.4Å; G269-H273 VanDerWaalsContact O-CD2 3.3Å; G269-H273 PolarHBondContact O-N 2.94Å
270T87.6Confident88Confident108 Ų10881 Ų8166%0.66343%0.425SS*.Hα-helixtrans-55-36.7-177.5-48.60000112.7H273 M274T270-H273 PolarHBondContact O-N 2.8Å; T270-M274 HydrophobicContact CG2-CG 4.26Å; T270-M274 HydrophobicContact CG2-SD 3.99Å; T270-M274 WeakPolarHBondContact O-CB 3.13Å; T270-M274 VanDerWaalsContact O-CG 3.25Å; T270-M274 WeakPolarHBondContact O-CG 3.36Å; T270-M274 PolarHBondContact O-N 3.47Å
271L88.8Confident88Confident121 Ų12180 Ų8063%0.63442%0.424SS*.Hα-helixtrans-63-43.6179-67.6178000112.8G269 H273 M274 C275G269-L271 PolarHBondContact O-N 2.86Å; G269-L271 VanDerWaalsContact O-N 3.16Å; L271-H273 PolarHBondContact O-N 3.27Å; L271-M274 PolarHBondContact O-N 3.49Å; L271-C275 PolarHBondContact O-N 3.16Å; L271-C275 PolarHBondContact O-SG 2.64Å; L271-C275 VanDerWaalsContact O-SG 3.39Å
272L88.4Confident88Confident3 Ų383 Ų832%0.01643%0.431CS..Hα-helixtrans-61.2-47.7178.2177.462.3000110.7K257 F260 A261 L266 G269 M274 C275 A276K257-L272 HydrophobicContact CG-CD1 4.32Å; K257-L272 HydrophobicContact CG-CD2 4.03Å; K257-L272 HydrophobicContact CG-CG 4.07Å; F260-L272 HydrophobicContact CB-CD1 3.51Å; A261-L272 HydrophobicContact CB-CD1 4.35Å; A261-L272 HydrophobicContact CB-CD2 4.26Å; L266-L272 HydrophobicContact CB-CB 4.3Å; L266-L272 HydrophobicContact CB-CD1 4.19Å; L266-L272 HydrophobicContact CD1-CD1 4.36Å; G269-L272 PolarHBondContact O-N 3.29Å; G269-L272 VanDerWaalsContact O-N 3.12Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 3.42Å; L272-C275 PolarHBondContact O-N 3.3Å; L272-A276 WeakPolarHBondContact O-CB 3.29Å; L272-A276 PolarHBondContact O-N 3.32Å
273H88.6Confident88.1Confident69 Ų6980 Ų8032%0.31941%0.413SS..Hα-helixtrans-64.2-37.2177.8-70.4-73.1000112.3Y253 G269 T270 L271 S277Y253-H273 AromaticContact CZ-ND1 3.99Å; Y253-H273 PolarHBondContact OH-ND1 2.85Å; G269-H273 PolarHBondContact O-CD2 3.4Å; G269-H273 VanDerWaalsContact O-CD2 3.3Å; G269-H273 PolarHBondContact O-N 2.94Å; T270-H273 PolarHBondContact O-N 2.8Å; L271-H273 PolarHBondContact O-N 3.27Å; H273-S277 VanDerWaalsContact O-CB 3.24Å; H273-S277 WeakPolarHBondContact O-CB 3.42Å; H273-S277 PolarHBondContact O-N 3.03Å; H273-S277 PolarHBondContact O-OG 2.88Å
274M89.5Confident88.2Confident99 Ų9971.4 Ų71.449%0.48838%0.381SS..Hα-helixtrans-66-49.3175.6-77179.666.200112.2T270 L271 L272 A276 S277 I278T270-M274 HydrophobicContact CG2-CG 4.26Å; T270-M274 HydrophobicContact CG2-SD 3.99Å; T270-M274 WeakPolarHBondContact O-CB 3.13Å; T270-M274 VanDerWaalsContact O-CG 3.25Å; T270-M274 WeakPolarHBondContact O-CG 3.36Å; T270-M274 PolarHBondContact O-N 3.47Å; L271-M274 PolarHBondContact O-N 3.49Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 3.42Å; M274-A276 PolarHBondContact O-N 3.35Å; M274-S277 PolarHBondContact O-N 3.12Å; M274-I278 VanDerWaalsContact O-CG1 3.28Å; M274-I278 WeakPolarHBondContact O-CG1 3.45Å; M274-I278 PolarHBondContact O-N 3.49Å
275C91Very high88.3Confident45 Ų4565.7 Ų65.730%0.30436%0.356SS..Hα-helixtrans-61.8-42.7178.4-69.60000112F260 L271 L272 T279F260-C275 HydrophobicContact CD1-CB 4.43Å; F260-C275 HydrophobicContact CD2-CB 3.99Å; F260-C275 HydrophobicContact CE1-CB 4.32Å; F260-C275 HydrophobicContact CE2-CB 3.9Å; F260-C275 HydrophobicContact CG-CB 4.3Å; F260-C275 HydrophobicContact CZ-CB 4.08Å; L271-C275 PolarHBondContact O-N 3.16Å; L271-C275 PolarHBondContact O-SG 2.64Å; L271-C275 VanDerWaalsContact O-SG 3.39Å; L272-C275 PolarHBondContact O-N 3.3Å; C275-T279 WeakPolarHBondContact O-CB 3.42Å; C275-T279 PolarHBondContact O-N 2.93Å; C275-T279 PolarHBondContact O-OG1 3Å
276A90.3Very high88.6Confident0 Ų059.6 Ų59.60%033%0.33CS..Hα-helixtrans-62.3-44.5174.700000111.6Y253 S256 K257 L272 M274 T279 S280Y253-A276 HydrophobicContact CD2-CB 3.96Å; Y253-A276 HydrophobicContact CE2-CB 3.82Å; S256-A276 WeakPolarHBondContact OG-CA 3.46Å; S256-A276 PolarHBondContact OG-O 2.7Å; K257-A276 HydrophobicContact CB-CB 3.97Å; L272-A276 WeakPolarHBondContact O-CB 3.29Å; L272-A276 PolarHBondContact O-N 3.32Å; M274-A276 PolarHBondContact O-N 3.35Å; A276-T279 PolarHBondContact O-N 3.27Å; A276-S280 WeakPolarHBondContact O-CB 3.48Å; A276-S280 PolarHBondContact O-N 3.07Å; A276-S280 PolarHBondContact O-OG 3.4Å
277S89.5Confident89.1Confident58 Ų5861.4 Ų61.441%0.40634%0.34SS..Hα-helixtrans-65.2-40.9179.3-58.90000113.2Y253 H273 M274 S280 G281Y253-S277 WeakPolarHBondContact CE2-OG 3.49Å; H273-S277 VanDerWaalsContact O-CB 3.24Å; H273-S277 WeakPolarHBondContact O-CB 3.42Å; H273-S277 PolarHBondContact O-N 3.03Å; H273-S277 PolarHBondContact O-OG 2.88Å; M274-S277 PolarHBondContact O-N 3.12Å; S277-S280 PolarHBondContact O-OG 2.72Å; S277-S280 VanDerWaalsContact O-OG 3.11Å; S277-G281 PolarHBondContact O-N 2.79Å
278I91.3Very high89.4Confident102 Ų10253.2 Ų53.252%0.52330%0.302SS..Hα-helixtrans-65.5-43.2177.4-69.3165.8000110M274 F282M274-I278 VanDerWaalsContact O-CG1 3.28Å; M274-I278 WeakPolarHBondContact O-CG1 3.45Å; M274-I278 PolarHBondContact O-N 3.49Å; I278-F282 WeakPolarHBondContact O-CB 3.47Å; I278-F282 PolarHBondContact O-N 3.02Å
279T91.4Very high89.9Confident47 Ų4747.4 Ų47.429%0.28827%0.271SS..Hα-helixtrans-66.9-45.1179.7-54.30000111.2T252 F260 C275 A276 F282 V283T252-T279 HydrophobicContact CG2-CG2 4.48Å; F260-T279 WeakPolarHBondContact CE2-OG1 3.24Å; C275-T279 WeakPolarHBondContact O-CB 3.42Å; C275-T279 PolarHBondContact O-N 2.93Å; C275-T279 PolarHBondContact O-OG1 3Å; A276-T279 PolarHBondContact O-N 3.27Å; T279-F282 PolarHBondContact O-N 2.9Å; T279-V283 WeakPolarHBondContact O-CG2 2.99Å; T279-V283 PolarHBondContact O-N 2.67Å
280S91.4Very high90.3Very high11 Ų1147 Ų478%0.07726%0.262CS..Hα-helixtrans-64.5-44.1177.669.70000112.3A276 S277 F282 V283 A284A276-S280 WeakPolarHBondContact O-CB 3.48Å; A276-S280 PolarHBondContact O-N 3.07Å; A276-S280 PolarHBondContact O-OG 3.4Å; S277-S280 PolarHBondContact O-OG 2.72Å; S277-S280 VanDerWaalsContact O-OG 3.11Å; S280-F282 VanDerWaalsContact C-N 3.32Å; S280-F282 PolarHBondContact O-N 3.07Å; S280-V283 PolarHBondContact O-N 3.4Å; S280-A284 WeakPolarHBondContact O-CB 3.36Å; S280-A284 PolarHBondContact O-N 2.89Å
281G89.9Confident90.5Very high11 Ų1142.7 Ų42.711%0.11324%0.238CC..Hα-helixtrans-61.5-38.7175.200000112.8S277 A285S277-G281 PolarHBondContact O-N 2.79Å; G281-A285 WeakPolarHBondContact O-CB 3.1Å; G281-A285 PolarHBondContact O-N 3.41Å
282F91.3Very high90.7Very high95 Ų9537.4 Ų37.442%0.41721%0.21SC..Hα-helixtrans-65.6-50.7175.7-179.2-98.5000112.2I278 T279 S280 A284 A285 V286 F339 W343I278-F282 WeakPolarHBondContact O-CB 3.47Å; I278-F282 PolarHBondContact O-N 3.02Å; T279-F282 PolarHBondContact O-N 2.9Å; S280-F282 VanDerWaalsContact C-N 3.32Å; S280-F282 PolarHBondContact O-N 3.07Å; F282-A284 VanDerWaalsContact C-N 3.34Å; F282-A284 PolarHBondContact O-N 2.88Å; F282-A285 WeakPolarHBondContact O-CB 3.14Å; F282-A285 PolarHBondContact O-N 2.92Å; F282-A285 VanDerWaalsContact O-N 3.15Å; F282-V286 HydrophobicContact CD1-CG2 4.28Å; F282-V286 HydrophobicContact CE1-CG2 3.89Å; F282-V286 HydrophobicContact CZ-CG2 4.05Å; F282-V286 WeakPolarHBondContact O-CG2 3.36Å; F282-V286 PolarHBondContact O-N 2.9Å; F282-F339 HydrophobicContact CD2-CZ 4.13Å; F282-F339 HydrophobicContact CE2-CE1 4.21Å; F282-F339 AromaticContact CE2-CZ 3.67Å; F282-F339 HydrophobicContact CE2-CZ 3.67Å; F282-F339 HydrophobicContact CZ-CZ 4.29Å; F282-W343 AromaticContact CD2-NE1 3.92Å
283V90.5Very high90.9Very high46 Ų4637.2 Ų37.228%0.27921%0.209SC..Hα-helixtrans-63-41.7179174.10000111T252 T279 S280 A285 V286 L287T252-V283 HydrophobicContact CG2-CB 3.81Å; T252-V283 HydrophobicContact CG2-CG1 4.17Å; T252-V283 HydrophobicContact CG2-CG2 3.79Å; T252-V283 WeakPolarHBondContact OG1-CG1 3.33Å; T279-V283 WeakPolarHBondContact O-CG2 2.99Å; T279-V283 PolarHBondContact O-N 2.67Å; S280-V283 PolarHBondContact O-N 3.4Å; V283-A285 VanDerWaalsContact C-N 3.3Å; V283-A285 PolarHBondContact O-N 2.7Å; V283-V286 PolarHBondContact O-N 2.88Å; V283-V286 VanDerWaalsContact O-N 3.13Å; V283-L287 HydrophobicContact CG1-CD1 3.96Å; V283-L287 HydrophobicContact CG1-CG 4.34Å; V283-L287 WeakPolarHBondContact O-CG 3.4Å; V283-L287 PolarHBondContact O-N 3.47Å
284A90.2Very high91.1Very high1 Ų134.6 Ų34.61%0.00820%0.197CC..Hα-helixtrans-61-37.9174.700000112.3E249 S280 F282 G288E249-A284 HydrophobicContact CG-CB 3.45Å; E249-A284 VanDerWaalsContact CG-CB 3.45Å; S280-A284 WeakPolarHBondContact O-CB 3.36Å; S280-A284 PolarHBondContact O-N 2.89Å; F282-A284 VanDerWaalsContact C-N 3.34Å; F282-A284 PolarHBondContact O-N 2.88Å; A284-G288 WeakPolarHBondContact O-CA 3.09Å; A284-G288 PolarHBondContact O-N 3.15Å
285A90.8Very high91.2Very high2 Ų230.9 Ų30.92%0.01718%0.179CC..Hα-helixtrans-65.8-41.4173.100000111.8G281 F282 V283 G288 T289 F339 I342 W343G281-A285 WeakPolarHBondContact O-CB 3.1Å; G281-A285 PolarHBondContact O-N 3.41Å; F282-A285 WeakPolarHBondContact O-CB 3.14Å; F282-A285 PolarHBondContact O-N 2.92Å; F282-A285 VanDerWaalsContact O-N 3.15Å; V283-A285 VanDerWaalsContact C-N 3.3Å; V283-A285 PolarHBondContact O-N 2.7Å; A285-G288 PolarHBondContact O-N 2.95Å; A285-T289 VanDerWaalsContact O-CB 3.27Å; A285-T289 WeakPolarHBondContact O-CB 3.11Å; A285-T289 PolarHBondContact O-N 3.47Å; A285-T289 PolarHBondContact O-OG1 2.92Å; A285-F339 HydrophobicContact CB-CE2 3.86Å; A285-I342 HydrophobicContact CB-CG2 4.33Å; A285-W343 HydrophobicContact CB-CB 4.2Å
286V91.4Very high91.3Very high45 Ų4529 Ų2927%0.27317%0.166SC..Hα-helixtrans-62.1-45.7177.71720000111.1F282 V283 P290 F339F282-V286 HydrophobicContact CD1-CG2 4.28Å; F282-V286 HydrophobicContact CE1-CG2 3.89Å; F282-V286 HydrophobicContact CZ-CG2 4.05Å; F282-V286 WeakPolarHBondContact O-CG2 3.36Å; F282-V286 PolarHBondContact O-N 2.9Å; V283-V286 PolarHBondContact O-N 2.88Å; V283-V286 VanDerWaalsContact O-N 3.13Å; V286-P290 WeakPolarHBondContact O-CD 3.33Å; V286-F339 HydrophobicContact CB-CE2 4.49Å; V286-F339 HydrophobicContact CG2-CE2 3.73Å; V286-F339 HydrophobicContact CG2-CZ 4.03Å
287L88.7Confident91.4Very high98 Ų9829 Ų2951%0.51317%0.166SC..Hα-helixtrans-74.2-34.8179.2-64.3177.2000112.7V283V283-L287 HydrophobicContact CG1-CD1 3.96Å; V283-L287 HydrophobicContact CG1-CG 4.34Å; V283-L287 WeakPolarHBondContact O-CG 3.4Å; V283-L287 PolarHBondContact O-N 3.47Å
288G90.5Very high91.4Very high1 Ų127 Ų271%0.0115%0.15CC..Hα-helixtrans-82-25.3-175.800000114.5A284 A285 A291 D292A284-G288 WeakPolarHBondContact O-CA 3.09Å; A284-G288 PolarHBondContact O-N 3.15Å; A285-G288 PolarHBondContact O-N 2.95Å; G288-A291 PolarHBondContact O-N 2.85Å; G288-D292 WeakPolarHBondContact O-CB 3.48Å; G288-D292 PolarHBondContact O-N 3.14Å
289T92.2Very high91.3Very high0 Ų022.2 Ų22.20%013%0.125CC..Hα-helixtrans-63.2-45.3-174.2-64.20000113.5A285 A291 D292 M293 L335 Y336 F339 I342A285-T289 VanDerWaalsContact O-CB 3.27Å; A285-T289 WeakPolarHBondContact O-CB 3.11Å; A285-T289 PolarHBondContact O-N 3.47Å; A285-T289 PolarHBondContact O-OG1 2.92Å; T289-A291 VanDerWaalsContact C-N 3.32Å; T289-A291 PolarHBondContact O-N 3.19Å; T289-D292 WeakPolarHBondContact O-CB 3.26Å; T289-D292 PolarHBondContact O-N 3.49Å; T289-M293 PolarHBondContact O-N 2.81Å; T289-L335 WeakPolarHBondContact CG2-O 3.47Å; T289-Y336 HydrophobicContact CG2-CD1 4.27Å; T289-F339 HydrophobicContact CG2-CB 4.11Å; T289-F339 WeakPolarHBondContact OG1-CD2 3.13Å; T289-I342 HydrophobicContact CG2-CD1 3.8Å; T289-I342 WeakPolarHBondContact OG1-CD1 3.45Å
290P92.8Very high91.2Very high24 Ų2420.1 Ų20.116%0.15611%0.112CC..Hα-helixtrans-61.7-39.4174.8-24.635.3000112.8V286 M293 I294 L335 Y336V286-P290 WeakPolarHBondContact O-CD 3.33Å; P290-M293 WeakPolarHBondContact O-CB 3.43Å; P290-M293 PolarHBondContact O-N 3.43Å; P290-I294 WeakPolarHBondContact O-CD1 3.45Å; P290-I294 WeakPolarHBondContact O-CG1 3.18Å; P290-I294 PolarHBondContact O-N 3.47Å; P290-L335 HydrophobicContact CB-CB 4.34Å; P290-Y336 HydrophobicContact CG-CE1 4.25Å; P290-Y336 HydrophobicContact CG-CE2 4.43Å
291A92.7Very high90.8Very high19 Ų1919.9 Ų19.916%0.15711%0.11CC..Hα-helixtrans-66.1-40.4176.700000111.7R241 L244 G288 T289 I294 K295R241-A291 HydrophobicContact CB-CB 4.22Å; R241-A291 HydrophobicContact CG-CB 4.4Å; L244-A291 HydrophobicContact CD1-CB 4.04Å; G288-A291 PolarHBondContact O-N 2.85Å; T289-A291 VanDerWaalsContact C-N 3.32Å; T289-A291 PolarHBondContact O-N 3.19Å; A291-I294 PolarHBondContact O-N 3.3Å; A291-K295 VanDerWaalsContact O-CB 3.28Å; A291-K295 WeakPolarHBondContact O-CB 3.21Å; A291-K295 PolarHBondContact O-N 2.91Å
292D92.4Very high89.9Confident9 Ų921.5 Ų21.55%0.04811%0.113CC..Hα-helixtrans-61.1-43.6173-82.7-19.6000111.5K44 R241 G288 T289 K295 T296 I342K44-D292 IonicContact NZ-OD1 3.61Å; K44-D292 IonicContact NZ-OD2 2.86Å; K44-D292 PolarHBondContact NZ-OD2 3.15Å; R241-D292 WeakPolarHBondContact CD-OD1 3.24Å; R241-D292 WeakPolarHBondContact CG-OD1 3.16Å; R241-D292 IonicContact NH1-OD1 3.79Å; G288-D292 WeakPolarHBondContact O-CB 3.48Å; G288-D292 PolarHBondContact O-N 3.14Å; T289-D292 WeakPolarHBondContact O-CB 3.26Å; T289-D292 PolarHBondContact O-N 3.49Å; D292-K295 PolarHBondContact O-N 3.42Å; D292-T296 WeakPolarHBondContact O-CB 3.47Å; D292-T296 PolarHBondContact O-N 3.18Å; D292-T296 PolarHBondContact O-OG1 3.14Å; D292-I342 HydrophobicContact CB-CD1 4.23Å; D292-I342 WeakPolarHBondContact OD2-CD1 3.28Å
293M91.9Very high88.4Confident0 Ų018.7 Ų18.70%010%0.103CC..Hα-helixtrans-58.4-51.9177.9179.360.680.500111.3Q48 T289 P290 K295 T296 R297 A334 L335 K337Q48-M293 HydrophobicContact CB-CE 3.94Å; Q48-M293 HydrophobicContact CB-SD 3.57Å; Q48-M293 VanDerWaalsContact CB-SD 3.57Å; Q48-M293 HydrophobicContact CG-CE 3.86Å; Q48-M293 HydrophobicContact CG-SD 3.97Å; T289-M293 PolarHBondContact O-N 2.81Å; P290-M293 WeakPolarHBondContact O-CB 3.43Å; P290-M293 PolarHBondContact O-N 3.43Å; M293-K295 PolarHBondContact O-N 3.07Å; M293-T296 PolarHBondContact O-N 3.15Å; M293-R297 WeakPolarHBondContact O-CG 3.16Å; M293-R297 PolarHBondContact O-N 2.96Å; M293-R297 VanDerWaalsContact O-N 3.07Å; M293-R297 HydrophobicContact SD-CG 4.39Å; M293-R297 PolarHBondContact SD-NE 3.21Å; M293-A334 WeakPolarHBondContact CE-O 3.36Å; M293-L335 HydrophobicContact CG-CD2 4.48Å; M293-K337 HydrophobicContact CE-CB 3.63Å; M293-K337 HydrophobicContact CE-CD 4.47Å; M293-K337 HydrophobicContact CE-CG 4.49Å
294I93Very high86.5Confident13 Ų1318 Ų187%0.06710%0.099CC..Hα-helixtrans-63.5-44.5-178.9-64.7161.7000110.4P290 A291 T296 R297 M298 V319 C322 F323P290-I294 WeakPolarHBondContact O-CD1 3.45Å; P290-I294 WeakPolarHBondContact O-CG1 3.18Å; P290-I294 PolarHBondContact O-N 3.47Å; A291-I294 PolarHBondContact O-N 3.3Å; I294-T296 PolarHBondContact O-N 3.42Å; I294-R297 PolarHBondContact O-N 2.89Å; I294-M298 HydrophobicContact CG2-CG 4.15Å; I294-M298 HydrophobicContact CG2-SD 3.79Å; I294-M298 VanDerWaalsContact O-CB 3.29Å; I294-M298 WeakPolarHBondContact O-CB 3.11Å; I294-M298 VanDerWaalsContact O-CG 3.29Å; I294-M298 WeakPolarHBondContact O-CG 3.35Å; I294-M298 PolarHBondContact O-N 2.99Å; I294-V319 HydrophobicContact CD1-CG1 4.32Å; I294-V319 HydrophobicContact CG2-CB 4.31Å; I294-V319 HydrophobicContact CG2-CG1 3.94Å; I294-V319 HydrophobicContact CG2-CG2 4.44Å; I294-C322 HydrophobicContact CG2-CB 3.97Å; I294-F323 HydrophobicContact CD1-CB 3.96Å; I294-F323 HydrophobicContact CD1-CD2 4.12Å
295K92.9Very high84.6Confident22 Ų2224 Ų2410%0.09614%0.136CC..Hα-helixtrans-54.3-54.7174.9172.4-168.9164.9177.10110.8D177 P237 N238 A291 D292 M293 R297 M298 M299D177-K295 IonicContact OD2-NZ 3.65Å; P237-K295 HydrophobicContact CB-CB 4.25Å; N238-K295 HydrophobicContact CB-CD 4.3Å; N238-K295 WeakPolarHBondContact OD1-CE 3.25Å; N238-K295 PolarHBondContact OD1-NZ 3.11Å; A291-K295 VanDerWaalsContact O-CB 3.28Å; A291-K295 WeakPolarHBondContact O-CB 3.21Å; A291-K295 PolarHBondContact O-N 2.91Å; D292-K295 PolarHBondContact O-N 3.42Å; M293-K295 PolarHBondContact O-N 3.07Å; K295-R297 VanDerWaalsContact C-N 3.33Å; K295-R297 PolarHBondContact O-N 3.5Å; K295-M298 PolarHBondContact O-N 3.45Å; K295-M299 HydrophobicContact CD-SD 4.25Å; K295-M299 WeakPolarHBondContact CE-SD 3.42Å; K295-M299 HydrophobicContact CG-CG 4.38Å; K295-M299 HydrophobicContact CG-SD 3.75Å; K295-M299 WeakPolarHBondContact O-CB 3.27Å; K295-M299 WeakPolarHBondContact O-CG 3.22Å; K295-M299 PolarHBondContact O-N 2.86Å
296T92.5Very high82.3Confident6 Ų629.5 Ų29.54%0.03717%0.174CC..Hα-helixtrans-62.4-41.4-174.3-56.90000111T45 Q48 V49 V181 D292 M293 I294 M299 N300T45-T296 HydrophobicContact CG2-CG2 4.04Å; Q48-T296 HydrophobicContact CB-CG2 4.35Å; Q48-T296 PolarHBondContact OE1-OG1 3.43Å; V49-T296 HydrophobicContact CG2-CG2 3.4Å; V49-T296 VanDerWaalsContact CG2-CG2 3.4Å; V181-T296 HydrophobicContact CG1-CG2 3.95Å; D292-T296 WeakPolarHBondContact O-CB 3.47Å; D292-T296 PolarHBondContact O-N 3.18Å; D292-T296 PolarHBondContact O-OG1 3.14Å; M293-T296 PolarHBondContact O-N 3.15Å; I294-T296 PolarHBondContact O-N 3.42Å; T296-M299 PolarHBondContact O-N 3.46Å; T296-N300 WeakPolarHBondContact O-CB 3.32Å; T296-N300 PolarHBondContact O-N 2.9Å
297R91.3Very high80.2Confident0 Ų033.6 Ų33.60%019%0.194CC..Hα-helixtrans-64.8-45.3175.3-69.8176.7-178.2-139.7-12.4112.4Q48 M293 I294 K295 M299 N300 Q301 Y316 T326 E330Q48-R297 PolarHBondContact O-NE 2.96Å; Q48-R297 PolarHBondContact O-NH2 3.2Å; M293-R297 WeakPolarHBondContact O-CG 3.16Å; M293-R297 PolarHBondContact O-N 2.96Å; M293-R297 VanDerWaalsContact O-N 3.07Å; M293-R297 HydrophobicContact SD-CG 4.39Å; M293-R297 PolarHBondContact SD-NE 3.21Å; I294-R297 PolarHBondContact O-N 2.89Å; K295-R297 VanDerWaalsContact C-N 3.33Å; K295-R297 PolarHBondContact O-N 3.5Å; R297-M299 VanDerWaalsContact C-N 3.32Å; R297-M299 PolarHBondContact O-N 3.19Å; R297-N300 PolarHBondContact O-N 3.43Å; R297-Q301 PolarHBondContact O-N 3.37Å; R297-Y316 HydrophobicContact CB-CE2 3.92Å; R297-T326 VanDerWaalsContact NH1-CG2 3.27Å; R297-T326 PolarHBondContact NH1-OG1 2.94Å; R297-E330 IonicContact CZ-OE1 2.74Å; R297-E330 IonicContact CZ-OE2 3.06Å; R297-E330 IonicContact NH1-OE1 2.74Å; R297-E330 PolarHBondContact NH1-OE1 3.04Å; R297-E330 IonicContact NH1-OE2 2.77Å; R297-E330 VanDerWaalsContact NH2-CD 3.26Å; R297-E330 IonicContact NH2-OE1 2.97Å; R297-E330 PolarHBondContact NH2-OE1 3.4Å; R297-E330 IonicContact NH2-OE2 3.23Å; R297-E330 PolarHBondContact NH2-OE2 3.49Å
298M90.2Very high78.1Confident16 Ų1630.6 Ų30.68%0.07918%0.181CC..Hα-helixtrans-67.1-29.3179.3-75.6-170.271.400113.9P237 I294 K295 Q301 V319 C322P237-M298 HydrophobicContact CB-SD 4.43Å; P237-M298 HydrophobicContact CG-CB 4.46Å; P237-M298 HydrophobicContact CG-CE 3.91Å; P237-M298 HydrophobicContact CG-SD 3.55Å; P237-M298 VanDerWaalsContact CG-SD 3.55Å; I294-M298 HydrophobicContact CG2-CG 4.15Å; I294-M298 HydrophobicContact CG2-SD 3.79Å; I294-M298 VanDerWaalsContact O-CB 3.29Å; I294-M298 WeakPolarHBondContact O-CB 3.11Å; I294-M298 VanDerWaalsContact O-CG 3.29Å; I294-M298 WeakPolarHBondContact O-CG 3.35Å; I294-M298 PolarHBondContact O-N 2.99Å; K295-M298 PolarHBondContact O-N 3.45Å; M298-Q301 WeakPolarHBondContact O-CG 3.12Å; M298-Q301 PolarHBondContact O-NE2 3.41Å; M298-V319 HydrophobicContact CE-CG2 4.39Å; M298-V319 HydrophobicContact SD-CB 4.3Å; M298-V319 HydrophobicContact SD-CG2 3.74Å; M298-C322 HydrophobicContact CG-CB 4.1Å; M298-C322 HydrophobicContact SD-CB 4.41Å
299M90Very high76.3Confident0 Ų038.7 Ų38.70%022%0.222CC..Hα-helixtrans-81.2-33.1173-71.8-177131.100112D177 L178 V181 N238 K295 T296 R297D177-M299 HydrophobicContact CB-CE 3.64Å; D177-M299 HydrophobicContact CB-SD 4.35Å; L178-M299 HydrophobicContact CB-CE 4.1Å; L178-M299 HydrophobicContact CD1-CB 3.61Å; L178-M299 HydrophobicContact CD1-CG 3.98Å; L178-M299 WeakPolarHBondContact CD1-O 3.32Å; V181-M299 HydrophobicContact CB-CB 4.1Å; V181-M299 HydrophobicContact CG1-CB 3.95Å; V181-M299 HydrophobicContact CG2-CB 4.34Å; V181-M299 HydrophobicContact CG2-SD 4.05Å; N238-M299 HydrophobicContact CB-CE 4.24Å; K295-M299 HydrophobicContact CD-SD 4.25Å; K295-M299 WeakPolarHBondContact CE-SD 3.42Å; K295-M299 HydrophobicContact CG-CG 4.38Å; K295-M299 HydrophobicContact CG-SD 3.75Å; K295-M299 WeakPolarHBondContact O-CB 3.27Å; K295-M299 WeakPolarHBondContact O-CG 3.22Å; K295-M299 PolarHBondContact O-N 2.86Å; T296-M299 PolarHBondContact O-N 3.46Å; R297-M299 VanDerWaalsContact C-N 3.32Å; R297-M299 PolarHBondContact O-N 3.19Å
300N88.9Confident74.2Confident3 Ų345 Ų452%0.01626%0.256CS..Hα-helixtrans-77.2-29-179.7179.660.4000114.1V49 E52 V181 T185 R188 T296 R297 R302V49-N300 HydrophobicContact CG1-CB 4.18Å; V49-N300 WeakPolarHBondContact CG1-ND2 3.45Å; V49-N300 HydrophobicContact CG2-CB 4.36Å; E52-N300 PolarHBondContact OE2-ND2 3.44Å; V181-N300 HydrophobicContact CG1-CB 4.18Å; T185-N300 WeakPolarHBondContact CB-OD1 3.38Å; T185-N300 HydrophobicContact CG2-CB 4.21Å; T185-N300 PolarHBondContact OG1-OD1 3.01Å; R188-N300 PolarHBondContact NH2-ND2 3.02Å; T296-N300 WeakPolarHBondContact O-CB 3.32Å; T296-N300 PolarHBondContact O-N 2.9Å; R297-N300 PolarHBondContact O-N 3.43Å; N300-R302 PolarHBondContact O-N 3.44Å
301Q82.2Confident72.4Confident6 Ų647.7 Ų47.73%0.02829%0.288CS..  trans-54.3134.6-179.649169.9-11.600111.8R182 R233 R297 M298 L315 Y316R182-Q301 PolarHBondContact NH2-O 3.42Å; R233-Q301 VanDerWaalsContact NE-NE2 3.1Å; R233-Q301 VanDerWaalsContact NH2-CG 3.28Å; R297-Q301 PolarHBondContact O-N 3.37Å; M298-Q301 WeakPolarHBondContact O-CG 3.12Å; M298-Q301 PolarHBondContact O-NE2 3.41Å; Q301-L315 HydrophobicContact CB-CB 4.08Å; Q301-Y316 HydrophobicContact CB-CD2 4.37Å; Q301-Y316 HydrophobicContact CG-CD2 4.41Å; Q301-Y316 VanDerWaalsContact OE1-N 3.09Å; Q301-Y316 PolarHBondContact OE1-O 2.79Å
302R70.8Confident70.6Confident46 Ų4650 Ų5017%0.17430%0.303CS..  trans-94.7145.3174.4-61.3-175.3-175.6-1650.5108.9N300 T304N300-R302 PolarHBondContact O-N 3.44Å; R302-T304 HydrophobicContact CB-CG2 4.16Å; R302-T304 PolarHBondContact O-N 2.73Å
303T61.5Low69.3Low35 Ų3549.9 Ų49.922%0.21530%0.304CS..  trans-79.493.3168-52.50000106.6R233 L314R233-T303 PolarHBondContact NH1-OG1 2.74Å; T303-L314 HydrophobicContact CG2-CD2 4.21Å
304T50.1Low68.3Low32 Ų3252.7 Ų52.720%0.19632%0.319CS..  trans-107115.8171.654.30000107.2R302 S306 L307 G313R302-T304 HydrophobicContact CB-CG2 4.16Å; R302-T304 PolarHBondContact O-N 2.73Å; T304-S306 PolarHBondContact O-N 2.85Å; T304-S306 VanDerWaalsContact O-N 3.07Å; T304-L307 PolarHBondContact O-N 3.46Å; T304-L307 WeakPolarHBondContact OG1-CB 3.25Å; T304-G313 PolarHBondContact N-O 2.93Å; T304-G313 WeakPolarHBondContact O-CA 3.34Å
305V49.4Very low67.6Low127 Ų12754.2 Ų54.277%0.7733%0.327SS*.G310 helixtrans-54.6-28.9179.2-179.60000111.2
306S42.5Very low67.2Low118 Ų11853.3 Ų53.383%0.82532%0.323SS*.G310 helixtrans-85.9-6.9-173.6-104.80000117.7T304T304-S306 PolarHBondContact O-N 2.85Å; T304-S306 VanDerWaalsContact O-N 3.07Å
307L48.1Very low66.9Low131 Ų13157.1 Ų57.169%0.68636%0.355SS*.G310 helixtrans-116.821.4-172-125.3147.9000114.1T304T304-L307 PolarHBondContact O-N 3.46Å; T304-L307 WeakPolarHBondContact OG1-CB 3.25Å
308S45Very low66.7Low35 Ų3558.1 Ų58.125%0.24537%0.365CS..  trans-100.4126.4-179.1-1700000112.8N310 G311 S312 G313S308-N310 PolarHBondContact OG-N 3.18Å; S308-G311 PolarHBondContact OG-N 3.15Å; S308-G311 VanDerWaalsContact OG-N 3.13Å; S308-S312 PolarHBondContact OG-N 2.72Å; S308-G313 PolarHBondContact OG-N 3.23Å
309I52Low66.7Low170 Ų17059.3 Ų59.387%0.87237%0.373SS*.THydrogen-bonded Turntrans-69.2-21164.6-61.5173000110.8
310N49Very low66.9Low134 Ų13466 Ų6672%0.71741%0.408SS*.THydrogen-bonded Turntrans-124.522.6-168.5-74.60.7000114.6S308 S312S308-N310 PolarHBondContact OG-N 3.18Å; N310-S312 PolarHBondContact O-N 2.89Å
311G53.4Low67Low80 Ų8067.9 Ų67.983%0.82542%0.417SS*.SBendtrans69.9-12.9174.600000117S308 G313S308-G311 PolarHBondContact OG-N 3.15Å; S308-G311 VanDerWaalsContact OG-N 3.13Å; G311-G313 PolarHBondContact O-N 3.45Å
312S55.2Low67.4Low68 Ų6867.6 Ų67.648%0.47642%0.416SS..SBendtrans-82.5-4.7-177.761.60000115.4S308 N310 L314S308-S312 PolarHBondContact OG-N 2.72Å; N310-S312 PolarHBondContact O-N 2.89Å; S312-L314 WeakPolarHBondContact O-CG 3.42Å; S312-L314 PolarHBondContact O-N 3.41Å
313G65.2Low68.5Low6 Ų669.4 Ų69.46%0.06243%0.426CS..  trans62.73.5-175.400000115.5T304 S308 G311T304-G313 PolarHBondContact N-O 2.93Å; T304-G313 WeakPolarHBondContact O-CA 3.34Å; S308-G313 PolarHBondContact OG-N 3.23Å; G311-G313 PolarHBondContact O-N 3.45Å
314L71.5Confident70.1Confident59 Ų5976 Ų7631%0.30945%0.446SS..  trans-101.5137.3-179.8-50.1179.4000111.2T303 S312T303-L314 HydrophobicContact CG2-CD2 4.21Å; S312-L314 WeakPolarHBondContact O-CG 3.42Å; S312-L314 PolarHBondContact O-N 3.41Å
315L78.8Confident72Confident45 Ų4577.1 Ų77.124%0.23645%0.449CS..SBendtrans-69.2-38.6176.1-163.962.3000112.2E52 L53 Q301 K325E52-L315 HydrophobicContact CG-CD2 4.07Å; L53-L315 HydrophobicContact CD1-CD1 3.23Å; L53-L315 HydrophobicContact CD1-CD2 3.61Å; L53-L315 HydrophobicContact CD1-CG 3.38Å; L53-L315 HydrophobicContact CG-CD2 4.46Å; Q301-L315 HydrophobicContact CB-CB 4.08Å; L315-K325 PolarHBondContact O-NZ 2.97Å
316Y84.3Confident74Confident2 Ų271 Ų711%0.00841%0.412CS..  trans-128130.1177.7-50.4-71000110.7E52 L53 R297 Q301 G318 D321 C322 K325E52-Y316 VanDerWaalsContact CG-OH 3.28Å; E52-Y316 WeakPolarHBondContact CG-OH 3.11Å; E52-Y316 VanDerWaalsContact OE1-CE2 3.25Å; E52-Y316 WeakPolarHBondContact OE1-CE2 3.47Å; E52-Y316 PolarHBondContact OE1-OH 2.87Å; L53-Y316 HydrophobicContact CD1-CE1 4.31Å; L53-Y316 HydrophobicContact CD2-CE1 4.13Å; L53-Y316 HydrophobicContact CG-CE1 4.49Å; R297-Y316 HydrophobicContact CB-CE2 3.92Å; Q301-Y316 HydrophobicContact CB-CD2 4.37Å; Q301-Y316 HydrophobicContact CG-CD2 4.41Å; Q301-Y316 VanDerWaalsContact OE1-N 3.09Å; Q301-Y316 PolarHBondContact OE1-O 2.79Å; Y316-G318 VanDerWaalsContact C-N 3.33Å; Y316-D321 WeakPolarHBondContact CA-OD2 3.33Å; Y316-C322 VanDerWaalsContact CD1-CA 3.4Å; Y316-C322 HydrophobicContact CD1-CB 3.71Å; Y316-C322 HydrophobicContact CD2-CB 4.41Å; Y316-C322 HydrophobicContact CE1-CB 4.24Å; Y316-C322 HydrophobicContact CG-CB 3.78Å; Y316-K325 HydrophobicContact CD1-CB 4.47Å; Y316-K325 HydrophobicContact CD1-CD 3.87Å; Y316-K325 HydrophobicContact CE1-CB 4.16Å; Y316-K325 HydrophobicContact CE1-CD 4.16Å
317A84.8Confident76.4Confident87 Ų8767.6 Ų67.672%0.71939%0.386SS*.SBendtrans-74.6-24.7175.900000112.7D321A317-D321 HydrophobicContact CB-CB 4.16Å; A317-D321 PolarHBondContact N-OD2 2.95Å
318G87.6Confident78.4Confident21 Ų2170.2 Ų70.222%0.21639%0.386CS..SBendtrans-178-173.7-178.700000112.9Y316 I320 D321 C322Y316-G318 VanDerWaalsContact C-N 3.33Å; G318-I320 PolarHBondContact O-N 3.09Å; G318-D321 PolarHBondContact O-N 3.42Å; G318-C322 WeakPolarHBondContact O-CB 3.38Å; G318-C322 PolarHBondContact O-N 3.42Å
319V91.2Very high80.5Confident40 Ų4071 Ų7124%0.24239%0.388CS..Hα-helixtrans-57.8-47.4179.9174.50000111.2P237 I294 M298 C322 F323P237-V319 HydrophobicContact CB-CG2 4.1Å; P237-V319 HydrophobicContact CG-CG2 3.66Å; I294-V319 HydrophobicContact CD1-CG1 4.32Å; I294-V319 HydrophobicContact CG2-CB 4.31Å; I294-V319 HydrophobicContact CG2-CG1 3.94Å; I294-V319 HydrophobicContact CG2-CG2 4.44Å; M298-V319 HydrophobicContact CE-CG2 4.39Å; M298-V319 HydrophobicContact SD-CB 4.3Å; M298-V319 HydrophobicContact SD-CG2 3.74Å; V319-C322 PolarHBondContact O-N 3.38Å; V319-F323 WeakPolarHBondContact O-CB 3.46Å; V319-F323 PolarHBondContact O-N 2.92Å
320I92.4Very high82.1Confident141 Ų14164.6 Ų64.672%0.72336%0.355SS*.Hα-helixtrans-68.1-41.3-177.3-59.4171.3000111G318 F323 R324G318-I320 PolarHBondContact O-N 3.09Å; I320-F323 PolarHBondContact O-N 3.47Å; I320-R324 WeakPolarHBondContact O-CB 3.42Å; I320-R324 PolarHBondContact O-N 3.27Å
321D91.3Very high84Confident42 Ų4259.5 Ų59.523%0.22533%0.334CS..Hα-helixtrans-65.6-41.6176.5-178.245.5000111.4Y316 A317 G318 R324 K325Y316-D321 WeakPolarHBondContact CA-OD2 3.33Å; A317-D321 HydrophobicContact CB-CB 4.16Å; A317-D321 PolarHBondContact N-OD2 2.95Å; G318-D321 PolarHBondContact O-N 3.42Å; D321-R324 PolarHBondContact O-N 3.06Å; D321-K325 WeakPolarHBondContact O-CB 3.22Å; D321-K325 WeakPolarHBondContact O-CG 3.35Å; D321-K325 PolarHBondContact O-N 3.38Å; D321-K325 WeakPolarHBondContact OD1-CD 3.37Å; D321-K325 WeakPolarHBondContact OD1-CE 2.97Å; D321-K325 IonicContact OD1-NZ 3.96Å; D321-K325 PolarHBondContact OD1-NZ 2.94Å; D321-K325 WeakPolarHBondContact OD2-CE 3.29Å; D321-K325 IonicContact OD2-NZ 3.86Å; D321-K325 PolarHBondContact OD2-NZ 3.46Å
322C91.6Very high85.8Confident0 Ų061.6 Ų61.60%032%0.32CS..Hα-helixtrans-60.1-46.9173.4-176.20000112.1I294 M298 Y316 G318 V319 T326I294-C322 HydrophobicContact CG2-CB 3.97Å; M298-C322 HydrophobicContact CG-CB 4.1Å; M298-C322 HydrophobicContact SD-CB 4.41Å; Y316-C322 VanDerWaalsContact CD1-CA 3.4Å; Y316-C322 HydrophobicContact CD1-CB 3.71Å; Y316-C322 HydrophobicContact CD2-CB 4.41Å; Y316-C322 HydrophobicContact CE1-CB 4.24Å; Y316-C322 HydrophobicContact CG-CB 3.78Å; G318-C322 WeakPolarHBondContact O-CB 3.38Å; G318-C322 PolarHBondContact O-N 3.42Å; V319-C322 PolarHBondContact O-N 3.38Å; C322-T326 VanDerWaalsContact O-CB 3.26Å; C322-T326 WeakPolarHBondContact O-CB 3.47Å; C322-T326 PolarHBondContact O-N 3.5Å; C322-T326 PolarHBondContact O-OG1 2.86Å
323F93.6Very high87.4Confident85 Ų8562.8 Ų62.837%0.37333%0.328SS..Hα-helixtrans-58.4-52.4174.9175.5-94.6000111.4I294 V319 I320 K325 T326 V327 L335I294-F323 HydrophobicContact CD1-CB 3.96Å; I294-F323 HydrophobicContact CD1-CD2 4.12Å; V319-F323 WeakPolarHBondContact O-CB 3.46Å; V319-F323 PolarHBondContact O-N 2.92Å; I320-F323 PolarHBondContact O-N 3.47Å; F323-K325 PolarHBondContact O-N 2.95Å; F323-T326 PolarHBondContact O-N 2.69Å; F323-V327 HydrophobicContact CD2-CG2 4.46Å; F323-V327 HydrophobicContact CE1-CG2 4.2Å; F323-V327 HydrophobicContact CE2-CG2 4.17Å; F323-V327 HydrophobicContact CZ-CG2 4.02Å; F323-V327 WeakPolarHBondContact O-CG2 3.32Å; F323-V327 PolarHBondContact O-N 3.2Å; F323-L335 HydrophobicContact CD2-CD1 3.95Å; F323-L335 HydrophobicContact CD2-CD2 4.04Å; F323-L335 HydrophobicContact CE2-CD1 3.42Å; F323-L335 VanDerWaalsContact CE2-CD1 3.42Å; F323-L335 HydrophobicContact CE2-CD2 4.36Å; F323-L335 HydrophobicContact CZ-CD1 4.27Å
324R94.5Very high88.5Confident172 Ų17262.5 Ų62.565%0.64933%0.325SS*.Hα-helixtrans-60.1-46.9-178.4-177.4179.8175.6178.3-0.7112I320 D321 V327 R328I320-R324 WeakPolarHBondContact O-CB 3.42Å; I320-R324 PolarHBondContact O-N 3.27Å; D321-R324 PolarHBondContact O-N 3.06Å; R324-V327 PolarHBondContact O-N 2.9Å; R324-R328 VanDerWaalsContact O-CB 3.25Å; R324-R328 WeakPolarHBondContact O-CB 3.34Å; R324-R328 PolarHBondContact O-N 3.01Å
325K91.6Very high89.5Confident56 Ų5659.7 Ų59.724%0.24331%0.311CS..Hα-helixtrans-65.1-38.6178.6-76.3170.7172.3165.50112.1L53 L315 Y316 D321 F323 N329L53-K325 HydrophobicContact CD2-CB 3.98Å; L315-K325 PolarHBondContact O-NZ 2.97Å; Y316-K325 HydrophobicContact CD1-CB 4.47Å; Y316-K325 HydrophobicContact CD1-CD 3.87Å; Y316-K325 HydrophobicContact CE1-CB 4.16Å; Y316-K325 HydrophobicContact CE1-CD 4.16Å; D321-K325 WeakPolarHBondContact O-CB 3.22Å; D321-K325 WeakPolarHBondContact O-CG 3.35Å; D321-K325 PolarHBondContact O-N 3.38Å; D321-K325 WeakPolarHBondContact OD1-CD 3.37Å; D321-K325 WeakPolarHBondContact OD1-CE 2.97Å; D321-K325 IonicContact OD1-NZ 3.96Å; D321-K325 PolarHBondContact OD1-NZ 2.94Å; D321-K325 WeakPolarHBondContact OD2-CE 3.29Å; D321-K325 IonicContact OD2-NZ 3.86Å; D321-K325 PolarHBondContact OD2-NZ 3.46Å; F323-K325 PolarHBondContact O-N 2.95Å; K325-N329 VanDerWaalsContact O-CB 3.29Å; K325-N329 WeakPolarHBondContact O-CB 3.3Å; K325-N329 PolarHBondContact O-N 2.92Å
326T90.9Very high90.2Very high0 Ų061.4 Ų61.40%032%0.315CS..Hα-helixtrans-62.8-51.2176.2-60.40000110.9R297 C322 F323 R328 E330 G331 A334 L335R297-T326 VanDerWaalsContact NH1-CG2 3.27Å; R297-T326 PolarHBondContact NH1-OG1 2.94Å; C322-T326 VanDerWaalsContact O-CB 3.26Å; C322-T326 WeakPolarHBondContact O-CB 3.47Å; C322-T326 PolarHBondContact O-N 3.5Å; C322-T326 PolarHBondContact O-OG1 2.86Å; F323-T326 PolarHBondContact O-N 2.69Å; T326-R328 VanDerWaalsContact C-N 3.34Å; T326-R328 PolarHBondContact O-N 3.38Å; T326-E330 WeakPolarHBondContact O-CB 3.3Å; T326-E330 PolarHBondContact O-N 3.48Å; T326-G331 PolarHBondContact O-N 3.21Å; T326-A334 HydrophobicContact CG2-CB 3.98Å; T326-L335 HydrophobicContact CG2-CD2 3.92Å; T326-L335 HydrophobicContact CG2-CG 4.42Å
327V92.2Very high90.4Very high46 Ų4662.3 Ų62.328%0.27932%0.319SS..Hα-helixtrans-64.7-39.4179.7175.80000111.5F323 R324 G331 L335F323-V327 HydrophobicContact CD2-CG2 4.46Å; F323-V327 HydrophobicContact CE1-CG2 4.2Å; F323-V327 HydrophobicContact CE2-CG2 4.17Å; F323-V327 HydrophobicContact CZ-CG2 4.02Å; F323-V327 WeakPolarHBondContact O-CG2 3.32Å; F323-V327 PolarHBondContact O-N 3.2Å; R324-V327 PolarHBondContact O-N 2.9Å; V327-G331 WeakPolarHBondContact O-CA 3.46Å; V327-G331 PolarHBondContact O-N 2.95Å; V327-G331 VanDerWaalsContact O-N 3.08Å; V327-L335 HydrophobicContact CG2-CD1 3.82Å; V327-L335 HydrophobicContact CG2-CG 4.35Å
328R90.4Very high90.5Very high185 Ų18558.4 Ų58.470%0.69829%0.287SS*.Hα-helixtrans-68.9-42-179.6-169.617685.7167.75.5113.2R324 T326R324-R328 VanDerWaalsContact O-CB 3.25Å; R324-R328 WeakPolarHBondContact O-CB 3.34Å; R324-R328 PolarHBondContact O-N 3.01Å; T326-R328 VanDerWaalsContact C-N 3.34Å; T326-R328 PolarHBondContact O-N 3.38Å
329N88.2Confident90.7Very high53 Ų5359.7 Ų59.728%0.28329%0.287SS..Hα-helixtrans-95.2-28.8-170.7-63.9-4.4000113.3L53 K325L53-N329 WeakPolarHBondContact CD2-ND2 3.14Å; K325-N329 VanDerWaalsContact O-CB 3.29Å; K325-N329 WeakPolarHBondContact O-CB 3.3Å; K325-N329 PolarHBondContact O-N 2.92Å
330E86.6Confident90.6Very high35 Ų3563.8 Ų63.816%0.16430%0.301CS..Hα-helixtrans-118.7-10.1-176.4-62175.7-131.200113.4L53 R297 T326 A334 K337L53-E330 PolarHBondContact N-OE1 3.34Å; R297-E330 IonicContact CZ-OE1 2.74Å; R297-E330 IonicContact CZ-OE2 3.06Å; R297-E330 IonicContact NH1-OE1 2.74Å; R297-E330 PolarHBondContact NH1-OE1 3.04Å; R297-E330 IonicContact NH1-OE2 2.77Å; R297-E330 VanDerWaalsContact NH2-CD 3.26Å; R297-E330 IonicContact NH2-OE1 2.97Å; R297-E330 PolarHBondContact NH2-OE1 3.4Å; R297-E330 IonicContact NH2-OE2 3.23Å; R297-E330 PolarHBondContact NH2-OE2 3.49Å; T326-E330 WeakPolarHBondContact O-CB 3.3Å; T326-E330 PolarHBondContact O-N 3.48Å; E330-A334 HydrophobicContact CB-CB 3.47Å; E330-A334 VanDerWaalsContact CB-CB 3.47Å; E330-K337 IonicContact OE2-NZ 3.32Å; E330-K337 PolarHBondContact OE2-NZ 3.14Å
331G88.9Confident90.4Very high27 Ų2757.6 Ų57.628%0.27827%0.27SS..  trans86.7170.7-176.200000113.9T326 V327 S333 A334T326-G331 PolarHBondContact O-N 3.21Å; V327-G331 WeakPolarHBondContact O-CA 3.46Å; V327-G331 PolarHBondContact O-N 2.95Å; V327-G331 VanDerWaalsContact O-N 3.08Å; G331-S333 PolarHBondContact O-N 2.89Å; G331-A334 VanDerWaalsContact O-CB 3.28Å; G331-A334 WeakPolarHBondContact O-CB 3.4Å; G331-A334 PolarHBondContact O-N 2.87Å
332F90.5Very high90.3Very high123 Ų12355.9 Ų55.954%0.53926%0.26SS..G310 helixtrans-66.5-34.6-177-176.2-100.5000113.3A334 L335 Y336F332-A334 PolarHBondContact O-N 2.77Å; F332-L335 HydrophobicContact CD2-CD1 4.03Å; F332-L335 HydrophobicContact CE2-CD1 4.06Å; F332-L335 WeakPolarHBondContact O-CB 3.31Å; F332-L335 PolarHBondContact O-N 2.9Å; F332-Y336 HydrophobicContact CE1-CD2 4.42Å; F332-Y336 AromaticContact CE1-CE2 3.76Å; F332-Y336 HydrophobicContact CE1-CE2 3.76Å; F332-Y336 AromaticContact CZ-CE2 3.96Å; F332-Y336 HydrophobicContact CZ-CE2 3.96Å
333S89Confident90.1Very high93 Ų9360.7 Ų60.765%0.6528%0.279SS*.G310 helixtrans-63.4-21.9178.860.10000113G331 L335 Y336G331-S333 PolarHBondContact O-N 2.89Å; S333-L335 PolarHBondContact O-N 3.49Å; S333-Y336 PolarHBondContact O-N 3.02Å; S333-Y336 VanDerWaalsContact O-N 3.1Å
334A89.3Confident89.8Confident0 Ų058.1 Ų58.10%027%0.274CS..G310 helixtrans-59.7-34.9176.800000112.1M293 T326 E330 G331 F332 Y336 K337M293-A334 WeakPolarHBondContact CE-O 3.36Å; T326-A334 HydrophobicContact CG2-CB 3.98Å; E330-A334 HydrophobicContact CB-CB 3.47Å; E330-A334 VanDerWaalsContact CB-CB 3.47Å; G331-A334 VanDerWaalsContact O-CB 3.28Å; G331-A334 WeakPolarHBondContact O-CB 3.4Å; G331-A334 PolarHBondContact O-N 2.87Å; F332-A334 PolarHBondContact O-N 2.77Å; A334-Y336 PolarHBondContact O-N 2.76Å; A334-Y336 VanDerWaalsContact O-N 3.14Å; A334-K337 HydrophobicContact CB-CD 4.44Å; A334-K337 WeakPolarHBondContact O-CB 3.27Å; A334-K337 WeakPolarHBondContact O-CG 3.46Å; A334-K337 PolarHBondContact O-N 2.91Å; A334-K337 VanDerWaalsContact O-N 3.1Å
335L92.1Very high89.4Confident1 Ų152.2 Ų52.21%0.00525%0.251CS..G310 helixtrans-60.8-25178.8-65.5170.4000112.9T289 P290 M293 F323 T326 V327 F332 S333T289-L335 WeakPolarHBondContact CG2-O 3.47Å; P290-L335 HydrophobicContact CB-CB 4.34Å; M293-L335 HydrophobicContact CG-CD2 4.48Å; F323-L335 HydrophobicContact CD2-CD1 3.95Å; F323-L335 HydrophobicContact CD2-CD2 4.04Å; F323-L335 HydrophobicContact CE2-CD1 3.42Å; F323-L335 VanDerWaalsContact CE2-CD1 3.42Å; F323-L335 HydrophobicContact CE2-CD2 4.36Å; F323-L335 HydrophobicContact CZ-CD1 4.27Å; T326-L335 HydrophobicContact CG2-CD2 3.92Å; T326-L335 HydrophobicContact CG2-CG 4.42Å; V327-L335 HydrophobicContact CG2-CD1 3.82Å; V327-L335 HydrophobicContact CG2-CG 4.35Å; F332-L335 HydrophobicContact CD2-CD1 4.03Å; F332-L335 HydrophobicContact CE2-CD1 4.06Å; F332-L335 WeakPolarHBondContact O-CB 3.31Å; F332-L335 PolarHBondContact O-N 2.9Å; S333-L335 PolarHBondContact O-N 3.49Å
336Y92.8Very high89.1Confident81 Ų8151.3 Ų51.332%0.31825%0.248SC..G310 helixtrans-99.96-178.8-67.8-86.9000113.6T289 P290 F332 S333 A334 G338 F339T289-Y336 HydrophobicContact CG2-CD1 4.27Å; P290-Y336 HydrophobicContact CG-CE1 4.25Å; P290-Y336 HydrophobicContact CG-CE2 4.43Å; F332-Y336 HydrophobicContact CE1-CD2 4.42Å; F332-Y336 AromaticContact CE1-CE2 3.76Å; F332-Y336 HydrophobicContact CE1-CE2 3.76Å; F332-Y336 AromaticContact CZ-CE2 3.96Å; F332-Y336 HydrophobicContact CZ-CE2 3.96Å; S333-Y336 PolarHBondContact O-N 3.02Å; S333-Y336 VanDerWaalsContact O-N 3.1Å; A334-Y336 PolarHBondContact O-N 2.76Å; A334-Y336 VanDerWaalsContact O-N 3.14Å; Y336-G338 PolarHBondContact O-N 2.73Å; Y336-G338 VanDerWaalsContact O-N 3.17Å; Y336-F339 HydrophobicContact CD1-CD2 4.44Å; Y336-F339 VanDerWaalsContact O-CB 3.23Å; Y336-F339 WeakPolarHBondContact O-CB 3.25Å; Y336-F339 PolarHBondContact O-N 2.65Å
337K89.3Confident88.9Confident21 Ų2154.7 Ų54.79%0.09128%0.276CS..THydrogen-bonded Turntrans-58.8123.7172-69.7169.5176.4175.10109.2I47 Y50 Y58 M293 E330 A334I47-K337 HydrophobicContact CG2-CB 3.86Å; Y50-K337 PolarHBondContact O-NZ 3.23Å; Y58-K337 HydrophobicContact CD2-CD 3.96Å; Y58-K337 HydrophobicContact CD2-CG 4.25Å; Y58-K337 HydrophobicContact CE2-CD 4.12Å; Y58-K337 HydrophobicContact CE2-CG 4.11Å; M293-K337 HydrophobicContact CE-CB 3.63Å; M293-K337 HydrophobicContact CE-CD 4.47Å; M293-K337 HydrophobicContact CE-CG 4.49Å; E330-K337 IonicContact OE2-NZ 3.32Å; E330-K337 PolarHBondContact OE2-NZ 3.14Å; A334-K337 HydrophobicContact CB-CD 4.44Å; A334-K337 WeakPolarHBondContact O-CB 3.27Å; A334-K337 WeakPolarHBondContact O-CG 3.46Å; A334-K337 PolarHBondContact O-N 2.91Å; A334-K337 VanDerWaalsContact O-N 3.1Å
338G87.3Confident88.8Confident5 Ų555 Ų555%0.05228%0.279CS..THydrogen-bonded Turntrans86.53.5-178.100000115Y336 F340 L341 I342Y336-G338 PolarHBondContact O-N 2.73Å; Y336-G338 VanDerWaalsContact O-N 3.17Å; G338-F340 VanDerWaalsContact C-N 3.27Å; G338-F340 PolarHBondContact O-N 3.31Å; G338-L341 PolarHBondContact O-N 3.4Å; G338-I342 PolarHBondContact O-N 3.3Å
339F91Very high88.8Confident48 Ų4849.5 Ų49.521%0.21126%0.258CS..Hα-helixtrans-46.5-51.3172.8170.9-100.1000112.1F282 A285 V286 T289 Y336 L341 I342 W343F282-F339 HydrophobicContact CD2-CZ 4.13Å; F282-F339 HydrophobicContact CE2-CE1 4.21Å; F282-F339 AromaticContact CE2-CZ 3.67Å; F282-F339 HydrophobicContact CE2-CZ 3.67Å; F282-F339 HydrophobicContact CZ-CZ 4.29Å; A285-F339 HydrophobicContact CB-CE2 3.86Å; V286-F339 HydrophobicContact CB-CE2 4.49Å; V286-F339 HydrophobicContact CG2-CE2 3.73Å; V286-F339 HydrophobicContact CG2-CZ 4.03Å; T289-F339 HydrophobicContact CG2-CB 4.11Å; T289-F339 WeakPolarHBondContact OG1-CD2 3.13Å; Y336-F339 HydrophobicContact CD1-CD2 4.44Å; Y336-F339 VanDerWaalsContact O-CB 3.23Å; Y336-F339 WeakPolarHBondContact O-CB 3.25Å; Y336-F339 PolarHBondContact O-N 2.65Å; F339-L341 VanDerWaalsContact C-N 3.27Å; F339-L341 PolarHBondContact O-N 2.81Å; F339-I342 WeakPolarHBondContact O-CB 3.02Å; F339-I342 PolarHBondContact O-N 3.39Å; F339-W343 PolarHBondContact O-N 3.15Å
340F89Confident88.8Confident125 Ų12549.1 Ų49.155%0.54826%0.26SS..Hα-helixtrans-58.3-39.2-179.7179.8-101.5000112.3G338 A344G338-F340 VanDerWaalsContact C-N 3.27Å; G338-F340 PolarHBondContact O-N 3.31Å; F340-A344 HydrophobicContact CE1-CB 4.25Å; F340-A344 HydrophobicContact CZ-CB 4.29Å; F340-A344 WeakPolarHBondContact O-CB 3.43Å; F340-A344 PolarHBondContact O-N 3.36Å
341L89.1Confident89Confident11 Ų1153 Ų536%0.05828%0.281CS..Hα-helixtrans-71.2-32.6178.2-65.9174.8000112.3L40 L43 K44 I47 V61 G338 F339 R345L40-L341 HydrophobicContact CD2-CD2 4.03Å; L43-L341 HydrophobicContact CB-CD1 3.96Å; K44-L341 HydrophobicContact CB-CB 4.21Å; K44-L341 HydrophobicContact CB-CD1 4.32Å; I47-L341 HydrophobicContact CD1-CD1 3.49Å; I47-L341 VanDerWaalsContact CD1-CD1 3.49Å; V61-L341 HydrophobicContact CG1-CD1 4.41Å; G338-L341 PolarHBondContact O-N 3.4Å; F339-L341 VanDerWaalsContact C-N 3.27Å; F339-L341 PolarHBondContact O-N 2.81Å; L341-R345 WeakPolarHBondContact O-CB 3.37Å; L341-R345 PolarHBondContact O-N 2.86Å; L341-R345 VanDerWaalsContact O-N 3.15Å
342I89.2Confident89.2Confident6 Ų653 Ų533%0.03128%0.276CS..Hα-helixtrans-64.9-51.2174.7-66.4165000109.8K44 A285 T289 D292 G338 F339 R345 M346K44-I342 HydrophobicContact CD-CD1 4.39Å; K44-I342 HydrophobicContact CD-CG1 3.65Å; K44-I342 HydrophobicContact CG-CG1 4.17Å; A285-I342 HydrophobicContact CB-CG2 4.33Å; T289-I342 HydrophobicContact CG2-CD1 3.8Å; T289-I342 WeakPolarHBondContact OG1-CD1 3.45Å; D292-I342 HydrophobicContact CB-CD1 4.23Å; D292-I342 WeakPolarHBondContact OD2-CD1 3.28Å; G338-I342 PolarHBondContact O-N 3.3Å; F339-I342 WeakPolarHBondContact O-CB 3.02Å; F339-I342 PolarHBondContact O-N 3.39Å; I342-R345 PolarHBondContact O-N 3.41Å; I342-M346 PolarHBondContact O-N 3.41Å
343W87.5Confident89.2Confident101 Ų10148.5 Ų48.538%0.38326%0.256SS..Hα-helixtrans-67.4-48.5-178.5-177.769000111.9F282 A285 F339 R345 M346F282-W343 AromaticContact CD2-NE1 3.92Å; A285-W343 HydrophobicContact CB-CB 4.2Å; F339-W343 PolarHBondContact O-N 3.15Å; W343-R345 PolarHBondContact O-N 3.43Å; W343-M346 WeakPolarHBondContact O-CB 3.22Å; W343-M346 PolarHBondContact O-N 2.93Å; W343-M346 VanDerWaalsContact O-N 3.11Å
344A85.7Confident89.3Confident32 Ų3250.6 Ų50.626%0.26425%0.25SC..Hα-helixtrans-62.9-24.717900000113.3F340 P348F340-A344 HydrophobicContact CE1-CB 4.25Å; F340-A344 HydrophobicContact CZ-CB 4.29Å; F340-A344 WeakPolarHBondContact O-CB 3.43Å; F340-A344 PolarHBondContact O-N 3.36Å; A344-P348 WeakPolarHBondContact O-CD 3.47Å; A344-P348 WeakPolarHBondContact O-CG 3.3Å
345R86.5Confident89.3Confident48 Ų4854.1 Ų54.118%0.18127%0.271CS..Hα-helixtrans-78.1-26.8176.8-174.5-169.168.59112113.2L40 D41 L341 I342 W343 A347 P348 W349L40-R345 HydrophobicContact CB-CB 4.4Å; L40-R345 HydrophobicContact CB-CG 4.28Å; L40-R345 HydrophobicContact CD1-CB 4.02Å; L40-R345 HydrophobicContact CD1-CG 4.17Å; D41-R345 WeakPolarHBondContact OD1-CD 3.41Å; D41-R345 IonicContact OD1-CZ 3.4Å; D41-R345 IonicContact OD1-NE 3.88Å; D41-R345 PolarHBondContact OD1-NE 3.37Å; D41-R345 IonicContact OD1-NH1 2.69Å; L341-R345 WeakPolarHBondContact O-CB 3.37Å; L341-R345 PolarHBondContact O-N 2.86Å; L341-R345 VanDerWaalsContact O-N 3.15Å; I342-R345 PolarHBondContact O-N 3.41Å; W343-R345 PolarHBondContact O-N 3.43Å; R345-A347 PolarHBondContact O-N 2.74Å; R345-P348 WeakPolarHBondContact O-CD 3.45Å; R345-W349 VanDerWaalsContact O-CB 3.23Å; R345-W349 WeakPolarHBondContact O-CB 3.22Å; R345-W349 PolarHBondContact O-N 2.9Å; R345-W349 VanDerWaalsContact O-N 3.08Å
346M85.3Confident89.2Confident37 Ų3755 Ų5518%0.18228%0.276CS..Hα-helixtrans-58.5-49.4-175.7-76.1178.5158.400112.1I342 W343 S350I342-M346 PolarHBondContact O-N 3.41Å; W343-M346 WeakPolarHBondContact O-CB 3.22Å; W343-M346 PolarHBondContact O-N 2.93Å; W343-M346 VanDerWaalsContact O-N 3.11Å; M346-S350 WeakPolarHBondContact O-CB 3.48Å; M346-S350 PolarHBondContact O-N 2.86Å; M346-S350 PolarHBondContact O-OG 2.91Å; M346-S350 VanDerWaalsContact O-OG 3.07Å
347A87.2Confident89Confident71 Ų7152.4 Ų52.459%0.58727%0.267SS*.Hα-helixtrans-66.8-50.7-176.900000113.4R345 W349 S350 L351R345-A347 PolarHBondContact O-N 2.74Å; A347-W349 VanDerWaalsContact C-N 3.33Å; A347-W349 PolarHBondContact O-N 3.17Å; A347-S350 PolarHBondContact O-N 3.2Å; A347-L351 VanDerWaalsContact O-CB 3.27Å; A347-L351 WeakPolarHBondContact O-CB 3.34Å; A347-L351 PolarHBondContact O-N 3.35Å
348P89.6Confident88.8Confident53 Ų5353.9 Ų53.934%0.34427%0.274SS..Hα-helixtrans-60.7-39.2177-24.934.7000113.4T37 A344 R345 T352T37-P348 HydrophobicContact CG2-CB 4.14Å; A344-P348 WeakPolarHBondContact O-CD 3.47Å; A344-P348 WeakPolarHBondContact O-CG 3.3Å; R345-P348 WeakPolarHBondContact O-CD 3.45Å; P348-T352 VanDerWaalsContact O-CB 3.3Å; P348-T352 WeakPolarHBondContact O-CB 3.13Å; P348-T352 PolarHBondContact O-N 2.88Å; P348-T352 PolarHBondContact O-OG1 2.7Å
349W91.7Very high88.8Confident68 Ų6860.2 Ų60.226%0.25830%0.3SS..Hα-helixtrans-65.1-50.5178.5-176.589.1000110.9T37 R345 A347 L351 T352 F353T37-W349 HydrophobicContact CG2-CB 4.05Å; R345-W349 VanDerWaalsContact O-CB 3.23Å; R345-W349 WeakPolarHBondContact O-CB 3.22Å; R345-W349 PolarHBondContact O-N 2.9Å; R345-W349 VanDerWaalsContact O-N 3.08Å; A347-W349 VanDerWaalsContact C-N 3.33Å; A347-W349 PolarHBondContact O-N 3.17Å; W349-L351 PolarHBondContact O-N 3.08Å; W349-T352 PolarHBondContact O-N 3.5Å; W349-F353 VanDerWaalsContact O-CB 3.32Å; W349-F353 WeakPolarHBondContact O-CB 3.23Å; W349-F353 PolarHBondContact O-N 3.49Å
350S88.4Confident88.6Confident45 Ų4559.9 Ų59.932%0.31530%0.3SS..Hα-helixtrans-62.5-44.4179.6-66.80000112M346 A347 F353 W354M346-S350 WeakPolarHBondContact O-CB 3.48Å; M346-S350 PolarHBondContact O-N 2.86Å; M346-S350 PolarHBondContact O-OG 2.91Å; M346-S350 VanDerWaalsContact O-OG 3.07Å; A347-S350 PolarHBondContact O-N 3.2Å; S350-F353 PolarHBondContact O-N 2.86Å; S350-W354 PolarHBondContact O-N 2.77Å
351L90.5Very high88.1Confident117 Ų11755.4 Ų55.461%0.61328%0.279SS*.Hα-helixtrans-61.2-49.5178.618065.7000111.2A347 W349 F353 W354 V355A347-L351 VanDerWaalsContact O-CB 3.27Å; A347-L351 WeakPolarHBondContact O-CB 3.34Å; A347-L351 PolarHBondContact O-N 3.35Å; W349-L351 PolarHBondContact O-N 3.08Å; L351-F353 VanDerWaalsContact C-N 3.27Å; L351-F353 PolarHBondContact O-N 3.2Å; L351-W354 PolarHBondContact O-N 3.45Å; L351-V355 HydrophobicContact CD1-CG2 3.93Å; L351-V355 HydrophobicContact CG-CG2 4.36Å; L351-V355 WeakPolarHBondContact O-CB 3.2Å; L351-V355 VanDerWaalsContact O-CG2 3.26Å; L351-V355 WeakPolarHBondContact O-CG2 3.18Å; L351-V355 PolarHBondContact O-N 2.89Å
352T91.9Very high87.8Confident26 Ų2658.2 Ų58.216%0.1630%0.299CS..Hα-helixtrans-61.5-40.9179.6-52.90000110.6S33 I36 P348 W349 T356S33-T352 VanDerWaalsContact OG-C 3.26Å; I36-T352 HydrophobicContact CD1-CG2 3.71Å; P348-T352 VanDerWaalsContact O-CB 3.3Å; P348-T352 WeakPolarHBondContact O-CB 3.13Å; P348-T352 PolarHBondContact O-N 2.88Å; P348-T352 PolarHBondContact O-OG1 2.7Å; W349-T352 PolarHBondContact O-N 3.5Å; T352-T356 WeakPolarHBondContact O-CB 3.29Å; T352-T356 PolarHBondContact O-N 3.35Å; T352-T356 PolarHBondContact O-OG1 3.48Å
353F92Very high87.3Confident29 Ų2964.3 Ų64.313%0.12733%0.331CS..Hα-helixtrans-62.5-52.8179.6177.9-94.2000111.2A29 A30 S33 W349 S350 L351 T356 Y357A29-F353 HydrophobicContact CB-CD2 3.91Å; A29-F353 HydrophobicContact CB-CE2 3.87Å; A30-F353 HydrophobicContact CB-CD2 4.33Å; A30-F353 HydrophobicContact CB-CE2 4.14Å; S33-F353 WeakPolarHBondContact OG-CA 3.38Å; S33-F353 WeakPolarHBondContact OG-CB 3.3Å; S33-F353 PolarHBondContact OG-N 2.8Å; W349-F353 VanDerWaalsContact O-CB 3.32Å; W349-F353 WeakPolarHBondContact O-CB 3.23Å; W349-F353 PolarHBondContact O-N 3.49Å; S350-F353 PolarHBondContact O-N 2.86Å; L351-F353 VanDerWaalsContact C-N 3.27Å; L351-F353 PolarHBondContact O-N 3.2Å; F353-T356 PolarHBondContact O-N 2.84Å; F353-Y357 WeakPolarHBondContact O-CB 3.11Å; F353-Y357 PolarHBondContact O-N 3.43Å
354W89.5Confident86.8Confident137 Ų13759.8 Ų59.852%0.51932%0.315SS..Hα-helixtrans-67.7-42.9-177-72.7118.9000112.7S350 L351 T356 Y357 E358 F369S350-W354 PolarHBondContact O-N 2.77Å; L351-W354 PolarHBondContact O-N 3.45Å; W354-T356 VanDerWaalsContact C-N 3.34Å; W354-T356 PolarHBondContact O-N 2.86Å; W354-Y357 HydrophobicContact CE3-CD1 4.15Å; W354-Y357 HydrophobicContact CZ3-CD1 4.07Å; W354-Y357 HydrophobicContact CZ3-CE1 4.37Å; W354-Y357 PolarHBondContact O-N 3.17Å; W354-E358 VanDerWaalsContact O-CB 3.29Å; W354-E358 WeakPolarHBondContact O-CB 3.23Å; W354-E358 PolarHBondContact O-N 2.85Å; W354-F369 HydrophobicContact CZ3-CE2 4.21Å; W354-F369 HydrophobicContact CZ3-CZ 4.32Å
355V90.5Very high86.1Confident75 Ų7560 Ų6046%0.45532%0.32SS..Hα-helixtrans-61.7-45.2175.9171.80000110.5L351 E358 K359L351-V355 HydrophobicContact CD1-CG2 3.93Å; L351-V355 HydrophobicContact CG-CG2 4.36Å; L351-V355 WeakPolarHBondContact O-CB 3.2Å; L351-V355 VanDerWaalsContact O-CG2 3.26Å; L351-V355 WeakPolarHBondContact O-CG2 3.18Å; L351-V355 PolarHBondContact O-N 2.89Å; V355-E358 PolarHBondContact O-N 3.39Å; V355-K359 VanDerWaalsContact O-CG 3.28Å; V355-K359 WeakPolarHBondContact O-CG 3.31Å; V355-K359 PolarHBondContact O-N 3.44Å
356T90.3Very high85.2Confident18 Ų1859.5 Ų59.511%0.1132%0.322CS..Hα-helixtrans-65.5-45179.1-55.10000111A29 L32 T352 F353 W354 E358 K359 I360A29-T356 HydrophobicContact CB-CG2 4.03Å; L32-T356 HydrophobicContact CB-CG2 4.2Å; L32-T356 HydrophobicContact CD2-CG2 3.69Å; L32-T356 HydrophobicContact CG-CG2 4.49Å; T352-T356 WeakPolarHBondContact O-CB 3.29Å; T352-T356 PolarHBondContact O-N 3.35Å; T352-T356 PolarHBondContact O-OG1 3.48Å; F353-T356 PolarHBondContact O-N 2.84Å; W354-T356 VanDerWaalsContact C-N 3.34Å; W354-T356 PolarHBondContact O-N 2.86Å; T356-E358 VanDerWaalsContact C-N 3.33Å; T356-E358 PolarHBondContact O-N 3.39Å; T356-K359 PolarHBondContact O-N 2.82Å; T356-I360 HydrophobicContact CG2-CD1 3.74Å; T356-I360 HydrophobicContact CG2-CG1 4.32Å; T356-I360 WeakPolarHBondContact O-CB 3.26Å; T356-I360 VanDerWaalsContact O-CG1 3.23Å; T356-I360 WeakPolarHBondContact O-CG1 3.25Å; T356-I360 PolarHBondContact O-N 2.87Å
357Y87.9Confident83.7Confident28 Ų2864.6 Ų64.611%0.1135%0.35CS..Hα-helixtrans-60.2-44178.7-176-106.7000111.4M25 C26 A29 F353 W354 I360 R361 F369M25-Y357 HydrophobicContact CB-CD2 4.24Å; M25-Y357 HydrophobicContact CB-CE2 3.87Å; C26-Y357 VanDerWaalsContact SG-CE2 3.55Å; A29-Y357 HydrophobicContact CB-CD2 4.34Å; F353-Y357 WeakPolarHBondContact O-CB 3.11Å; F353-Y357 PolarHBondContact O-N 3.43Å; W354-Y357 HydrophobicContact CE3-CD1 4.15Å; W354-Y357 HydrophobicContact CZ3-CD1 4.07Å; W354-Y357 HydrophobicContact CZ3-CE1 4.37Å; W354-Y357 PolarHBondContact O-N 3.17Å; Y357-I360 PolarHBondContact O-N 3.34Å; Y357-R361 HydrophobicContact CD1-CG 4.39Å; Y357-R361 HydrophobicContact CE1-CG 4.12Å; Y357-R361 WeakPolarHBondContact O-CB 3.29Å; Y357-R361 WeakPolarHBondContact O-CG 3.36Å; Y357-R361 PolarHBondContact O-N 3.07Å; Y357-F369 HydrophobicContact CE1-CE2 4.41Å
358E84.1Confident81.9Confident51 Ų5163.1 Ų63.124%0.23834%0.342CS..Hα-helixtrans-64-44.6177.2-169.761.6-164.900111.6W354 V355 T356 I360 R361 C362 G368 F369W354-E358 VanDerWaalsContact O-CB 3.29Å; W354-E358 WeakPolarHBondContact O-CB 3.23Å; W354-E358 PolarHBondContact O-N 2.85Å; V355-E358 PolarHBondContact O-N 3.39Å; T356-E358 VanDerWaalsContact C-N 3.33Å; T356-E358 PolarHBondContact O-N 3.39Å; E358-I360 VanDerWaalsContact C-N 3.34Å; E358-I360 PolarHBondContact O-N 3.48Å; E358-R361 WeakPolarHBondContact O-CB 3.35Å; E358-R361 PolarHBondContact O-N 2.83Å; E358-R361 VanDerWaalsContact O-N 3.17Å; E358-C362 PolarHBondContact O-N 3.42Å; E358-C362 PolarHBondContact O-SG 3Å; E358-G368 WeakPolarHBondContact OE1-CA 3.33Å; E358-F369 WeakPolarHBondContact OE2-CD2 3.4Å
359K88.3Confident79.8Confident138 Ų13870.1 Ų70.160%0.637%0.367SS*.Hα-helixtrans-62.1-41.6175.8-68.6-61.6-179-1720112.2V355 T356 R361 C362 L363V355-K359 VanDerWaalsContact O-CG 3.28Å; V355-K359 WeakPolarHBondContact O-CG 3.31Å; V355-K359 PolarHBondContact O-N 3.44Å; T356-K359 PolarHBondContact O-N 2.82Å; K359-R361 VanDerWaalsContact C-N 3.33Å; K359-C362 PolarHBondContact O-N 3.49Å; K359-L363 WeakPolarHBondContact O-CB 3.49Å; K359-L363 VanDerWaalsContact O-CG 3.25Å; K359-L363 WeakPolarHBondContact O-CG 3.26Å; K359-L363 PolarHBondContact O-N 3.34Å
360I85.6Confident79.2Confident41 Ų4170.2 Ų70.221%0.2137%0.373CS..Hα-helixtrans-64.1-40.3175.4-66.6168.6000110.6M25 A29 T356 Y357 E358 L363 A364M25-I360 HydrophobicContact CB-CG2 3.9Å; M25-I360 HydrophobicContact CG-CG2 3.56Å; M25-I360 HydrophobicContact SD-CG2 4.12Å; A29-I360 HydrophobicContact CB-CD1 4.32Å; T356-I360 HydrophobicContact CG2-CD1 3.74Å; T356-I360 HydrophobicContact CG2-CG1 4.32Å; T356-I360 WeakPolarHBondContact O-CB 3.26Å; T356-I360 VanDerWaalsContact O-CG1 3.23Å; T356-I360 WeakPolarHBondContact O-CG1 3.25Å; T356-I360 PolarHBondContact O-N 2.87Å; Y357-I360 PolarHBondContact O-N 3.34Å; E358-I360 VanDerWaalsContact C-N 3.34Å; E358-I360 PolarHBondContact O-N 3.48Å; I360-L363 WeakPolarHBondContact O-CB 3.19Å; I360-L363 PolarHBondContact O-N 2.87Å; I360-A364 VanDerWaalsContact O-CB 3.31Å; I360-A364 WeakPolarHBondContact O-CB 3.47Å; I360-A364 PolarHBondContact O-N 2.87Å
361R80.3Confident78.7Confident31 Ų3171.5 Ų71.512%0.11738%0.376CS..Hα-helixtrans-63-45.5175.5-79.7-177.963.2168.40.3112.8M25 Y357 E358 K359 L363 A364 G365 V366 D367M25-R361 HydrophobicContact CE-CG 4.31Å; M25-R361 HydrophobicContact SD-CG 3.94Å; Y357-R361 HydrophobicContact CD1-CG 4.39Å; Y357-R361 HydrophobicContact CE1-CG 4.12Å; Y357-R361 WeakPolarHBondContact O-CB 3.29Å; Y357-R361 WeakPolarHBondContact O-CG 3.36Å; Y357-R361 PolarHBondContact O-N 3.07Å; E358-R361 WeakPolarHBondContact O-CB 3.35Å; E358-R361 PolarHBondContact O-N 2.83Å; E358-R361 VanDerWaalsContact O-N 3.17Å; K359-R361 VanDerWaalsContact C-N 3.33Å; R361-L363 VanDerWaalsContact C-N 3.3Å; R361-L363 PolarHBondContact O-N 3.04Å; R361-A364 CarbonylContact O-C 3.19Å; R361-A364 WeakPolarHBondContact O-CA 3.48Å; R361-A364 WeakPolarHBondContact O-CB 3.21Å; R361-A364 PolarHBondContact O-N 3.45Å; R361-G365 PolarHBondContact O-N 3.43Å; R361-G365 VanDerWaalsContact O-N 3.13Å; R361-V366 HydrophobicContact CB-CB 4.41Å; R361-V366 PolarHBondContact O-N 3.3Å; R361-D367 PolarHBondContact NH2-O 2.84Å
362C81.2Confident78Confident70 Ų7069 Ų6947%0.47336%0.363SS..Hα-helixtrans-59.9-42.9174.8-63.60000111.1E358 K359 A364 G365E358-C362 PolarHBondContact O-N 3.42Å; E358-C362 PolarHBondContact O-SG 3Å; K359-C362 PolarHBondContact O-N 3.49Å; C362-A364 PolarHBondContact O-N 2.95Å; C362-G365 PolarHBondContact O-N 2.67Å; C362-G365 VanDerWaalsContact O-N 3.14Å
363L79.4Confident77.2Confident135 Ų13571.5 Ų71.571%0.70738%0.375SS*.Hα-helixtrans-63.1-32174.5-71.7171000112.3K359 I360 R361 G365K359-L363 WeakPolarHBondContact O-CB 3.49Å; K359-L363 VanDerWaalsContact O-CG 3.25Å; K359-L363 WeakPolarHBondContact O-CG 3.26Å; K359-L363 PolarHBondContact O-N 3.34Å; I360-L363 WeakPolarHBondContact O-CB 3.19Å; I360-L363 PolarHBondContact O-N 2.87Å; R361-L363 VanDerWaalsContact C-N 3.3Å; R361-L363 PolarHBondContact O-N 3.04Å; L363-G365 VanDerWaalsContact C-N 3.28Å; L363-G365 PolarHBondContact O-N 2.94Å
364A76.6Confident76.3Confident6 Ų674.2 Ų74.25%0.0539%0.39CS..THydrogen-bonded Turntrans-81.61.2176.300000114.5V10 M25 I360 R361 C362 V366V10-A364 HydrophobicContact CG1-CB 3.56Å; M25-A364 HydrophobicContact SD-CB 4.04Å; I360-A364 VanDerWaalsContact O-CB 3.31Å; I360-A364 WeakPolarHBondContact O-CB 3.47Å; I360-A364 PolarHBondContact O-N 2.87Å; R361-A364 CarbonylContact O-C 3.19Å; R361-A364 WeakPolarHBondContact O-CA 3.48Å; R361-A364 WeakPolarHBondContact O-CB 3.21Å; R361-A364 PolarHBondContact O-N 3.45Å; C362-A364 PolarHBondContact O-N 2.95Å; A364-V366 HydrophobicContact CB-CG2 4.36Å; A364-V366 PolarHBondContact O-N 3.28Å
365G70.9Confident75.4Confident36 Ų3670 Ų7037%0.37138%0.382SS..THydrogen-bonded Turntrans6428.7-178.500000113.6K14 R361 C362 L363K14-G365 PolarHBondContact NZ-O 3.03Å; R361-G365 PolarHBondContact O-N 3.43Å; R361-G365 VanDerWaalsContact O-N 3.13Å; C362-G365 PolarHBondContact O-N 2.67Å; C362-G365 VanDerWaalsContact O-N 3.14Å; L363-G365 VanDerWaalsContact C-N 3.28Å; L363-G365 PolarHBondContact O-N 2.94Å
366V68.4Low74.3Confident37 Ų3769.6 Ų69.622%0.22438%0.376CS..PPolyproline II helixtrans-95.2129168-175.50000106.8R361 A364R361-V366 HydrophobicContact CB-CB 4.41Å; R361-V366 PolarHBondContact O-N 3.3Å; A364-V366 HydrophobicContact CB-CG2 4.36Å; A364-V366 PolarHBondContact O-N 3.28Å
367D53.3Low73.1Confident144 Ų14473.6 Ų73.677%0.7740%0.397SS*.PPolyproline II helixtrans-53.2143.3177.3-62.5-43.8000110.5R361R361-D367 PolarHBondContact NH2-O 2.84Å
368G49.3Very low71.9Confident40 Ų4077.4 Ų77.441%0.41242%0.421SS..PPolyproline II helixtrans-62.9164.7173.700000111.5E358E358-G368 WeakPolarHBondContact OE1-CA 3.33Å
369F45.1Very low70.8Confident200 Ų20079.8 Ų79.888%0.87744%0.437SS*.  trans-57.20-177-88.9-76.9000114.6W354 Y357 E358W354-F369 HydrophobicContact CZ3-CE2 4.21Å; W354-F369 HydrophobicContact CZ3-CZ 4.32Å; Y357-F369 HydrophobicContact CE1-CE2 4.41Å; E358-F369 WeakPolarHBondContact OE2-CD2 3.4Å

Retrieved 369 of 369 residues in 175.4 ms (Link to these results)