A0A087YNY7_POEFO Loading...

Major facilitator superfamily domain containing 11

AlphaFold DB , UniProt , Accession A0A087YNY7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M57.1Low79Confident162 Ų16265.1 Ų65.180%0.79837%0.368SS*.  0120.10-155.6161.3168.800107.4G5 L9M1-G5 WeakPolarHBondContact CE-O 3.47Å; M1-L9 HydrophobicContact CE-CB 3.69Å; M1-L9 HydrophobicContact CE-CD1 4.43Å; M1-L9 HydrophobicContact CE-CD2 3.83Å; M1-L9 HydrophobicContact CE-CG 4.19Å; M1-L9 HydrophobicContact SD-CD2 4.18Å
2G72.3Confident79.9Confident44 Ų4463.3 Ų63.345%0.45436%0.36SS..  trans-66.2166.2-177.900000113.1D4 G5 K6G2-D4 VanDerWaalsContact C-N 3.31Å; G2-D4 PolarHBondContact O-N 3.39Å; G2-G5 WeakPolarHBondContact O-CA 3.38Å; G2-G5 PolarHBondContact O-N 3.49Å; G2-K6 PolarHBondContact O-N 3.37Å
3P70.3Confident80.8Confident97 Ų9760.5 Ų60.563%0.6334%0.343SS*.Hα-helixtrans-56.8-40-178.319.5-30.2000113.2G5 K6 K7P3-G5 VanDerWaalsContact C-N 3.33Å; P3-G5 PolarHBondContact O-N 3.09Å; P3-K6 PolarHBondContact O-N 3.06Å; P3-K7 PolarHBondContact O-N 3.34Å; P3-K7 VanDerWaalsContact O-N 3.12Å
4D73.8Confident81.6Confident125 Ų12556.2 Ų56.267%0.66832%0.318SS*.Hα-helixtrans-67.2-33.9175.1-64.8-31.4000112.8G2 K7 L8G2-D4 VanDerWaalsContact C-N 3.31Å; G2-D4 PolarHBondContact O-N 3.39Å; D4-K7 PolarHBondContact O-N 3.05Å; D4-L8 WeakPolarHBondContact O-CB 3.47Å; D4-L8 PolarHBondContact O-N 3.1Å
5G79.3Confident82.1Confident23 Ų2352.5 Ų52.524%0.23730%0.297CS..Hα-helixtrans-65.5-41.5173.600000111.9M1 G2 P3 L8 L9M1-G5 WeakPolarHBondContact CE-O 3.47Å; G2-G5 WeakPolarHBondContact O-CA 3.38Å; G2-G5 PolarHBondContact O-N 3.49Å; P3-G5 VanDerWaalsContact C-N 3.33Å; P3-G5 PolarHBondContact O-N 3.09Å; G5-L8 PolarHBondContact O-N 3.4Å; G5-L9 WeakPolarHBondContact O-CB 3.45Å; G5-L9 PolarHBondContact O-N 3.02Å
6K81.8Confident82.8Confident76 Ų7654.3 Ų54.333%0.3330%0.301SS..Hα-helixtrans-61.9-45.2175.9-66-178.7-177.3179.60111.5G2 P3 L9 N10 D194G2-K6 PolarHBondContact O-N 3.37Å; P3-K6 PolarHBondContact O-N 3.06Å; K6-L9 PolarHBondContact O-N 3.33Å; K6-N10 PolarHBondContact O-N 3.33Å; K6-D194 IonicContact NZ-OD2 3.61Å; K6-D194 PolarHBondContact NZ-OD2 3.23Å; K6-D194 VanDerWaalsContact NZ-OD2 3.09Å
7K84Confident83.4Confident63 Ų6351.1 Ų51.127%0.27428%0.283SS..Hα-helixtrans-62.3-45.7177.6-72.1-176.5179.1-172.10112.1P3 D4 L9 N10 I11 N126P3-K7 PolarHBondContact O-N 3.34Å; P3-K7 VanDerWaalsContact O-N 3.12Å; D4-K7 PolarHBondContact O-N 3.05Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-L9 PolarHBondContact O-N 3.46Å; K7-N10 WeakPolarHBondContact O-CB 3.43Å; K7-N10 PolarHBondContact O-N 3.27Å; K7-I11 WeakPolarHBondContact O-CD1 3.47Å; K7-I11 PolarHBondContact O-N 2.83Å; K7-N126 HydrophobicContact CB-CB 4.39Å
8L85.4Confident83.9Confident58 Ų5848.3 Ų48.330%0.30427%0.268SS..Hα-helixtrans-63.4-40176.2-176.163.3000112D4 G5 N10 I11 V12 I138D4-L8 WeakPolarHBondContact O-CB 3.47Å; D4-L8 PolarHBondContact O-N 3.1Å; G5-L8 PolarHBondContact O-N 3.4Å; L8-N10 VanDerWaalsContact C-N 3.34Å; L8-N10 PolarHBondContact O-N 3Å; L8-I11 WeakPolarHBondContact O-CB 3.3Å; L8-I11 PolarHBondContact O-N 2.77Å; L8-I11 VanDerWaalsContact O-N 3.17Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.2Å; L8-I138 HydrophobicContact CD1-CD1 4Å
9L87.9Confident84.4Confident62 Ų6246.4 Ų46.433%0.32526%0.257SS..Hα-helixtrans-61.3-41.8175.8-179.365.6000111.7M1 G5 K6 K7 I11 V12 I13M1-L9 HydrophobicContact CE-CB 3.69Å; M1-L9 HydrophobicContact CE-CD1 4.43Å; M1-L9 HydrophobicContact CE-CD2 3.83Å; M1-L9 HydrophobicContact CE-CG 4.19Å; M1-L9 HydrophobicContact SD-CD2 4.18Å; G5-L9 WeakPolarHBondContact O-CB 3.45Å; G5-L9 PolarHBondContact O-N 3.02Å; K6-L9 PolarHBondContact O-N 3.33Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-L9 PolarHBondContact O-N 3.46Å; L9-I11 VanDerWaalsContact C-N 3.26Å; L9-I11 PolarHBondContact O-N 3.35Å; L9-V12 PolarHBondContact O-N 3.45Å; L9-I13 HydrophobicContact CD1-CD1 4.26Å; L9-I13 HydrophobicContact CD1-CG1 4.35Å; L9-I13 HydrophobicContact CD2-CD1 4.45Å; L9-I13 HydrophobicContact CG-CD1 3.87Å; L9-I13 HydrophobicContact CG-CG1 4.39Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.47Å; L9-I13 PolarHBondContact O-N 2.97Å
10N89.2Confident84.8Confident6 Ų647.4 Ų47.43%0.03226%0.258CS..Hα-helixtrans-57.7-40.3174.4-78.3-12000111.9K6 K7 L8 I13 L14 N126 I190 R191K6-N10 PolarHBondContact O-N 3.33Å; K7-N10 WeakPolarHBondContact O-CB 3.43Å; K7-N10 PolarHBondContact O-N 3.27Å; L8-N10 VanDerWaalsContact C-N 3.34Å; L8-N10 PolarHBondContact O-N 3Å; N10-I13 PolarHBondContact O-N 3.44Å; N10-L14 VanDerWaalsContact O-CB 3.28Å; N10-L14 WeakPolarHBondContact O-CB 3.42Å; N10-L14 PolarHBondContact O-N 2.91Å; N10-N126 WeakPolarHBondContact CB-OD1 3.45Å; N10-N126 PolarHBondContact ND2-OD1 3.25Å; N10-I190 HydrophobicContact CB-CG2 4.31Å; N10-R191 PolarHBondContact ND2-O 3.23Å; N10-R191 PolarHBondContact OD1-N 3.4Å
11I87.5Confident85.2Confident0 Ų045.1 Ų45.10%025%0.246CC..Hα-helixtrans-68.5-39.6177.7-66.8153.5000111.5K7 L8 L9 L14 G15 L123 N126 N135K7-I11 WeakPolarHBondContact O-CD1 3.47Å; K7-I11 PolarHBondContact O-N 2.83Å; L8-I11 WeakPolarHBondContact O-CB 3.3Å; L8-I11 PolarHBondContact O-N 2.77Å; L8-I11 VanDerWaalsContact O-N 3.17Å; L9-I11 VanDerWaalsContact C-N 3.26Å; L9-I11 PolarHBondContact O-N 3.35Å; I11-L14 WeakPolarHBondContact O-CB 3.07Å; I11-L14 PolarHBondContact O-N 3.49Å; I11-G15 PolarHBondContact O-N 2.98Å; I11-L123 HydrophobicContact CG1-CD1 4.18Å; I11-L123 HydrophobicContact CG2-CD1 4.24Å; I11-N126 HydrophobicContact CD1-CB 4.05Å; I11-N126 HydrophobicContact CG1-CB 4Å; I11-N135 HydrophobicContact CD1-CB 3.55Å; I11-N135 WeakPolarHBondContact CD1-ND2 3.43Å; I11-N135 HydrophobicContact CG1-CB 4.43Å; I11-N135 HydrophobicContact CG2-CB 4.27Å
12V90.7Very high86.8Confident44 Ų4438 Ų3827%0.26721%0.211SC..Hα-helixtrans-65.7-44.1176172.20000110.7L8 L9 L14 G15 F16L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.2Å; L9-V12 PolarHBondContact O-N 3.45Å; V12-L14 PolarHBondContact O-N 3.32Å; V12-G15 PolarHBondContact O-N 3.44Å; V12-F16 HydrophobicContact CG1-CD2 3.66Å; V12-F16 HydrophobicContact CG1-CE2 3.59Å; V12-F16 VanDerWaalsContact O-CD2 3.28Å; V12-F16 WeakPolarHBondContact O-CD2 3.4Å; V12-F16 PolarHBondContact O-N 3.38Å
13I91.6Very high87.8Confident27 Ų2736.3 Ų36.314%0.13819%0.191CC..Hα-helixtrans-60.9-45.1174.9-68168.1000110.6L9 N10 G15 F16 G17 L186 L189 I190L9-I13 HydrophobicContact CD1-CD1 4.26Å; L9-I13 HydrophobicContact CD1-CG1 4.35Å; L9-I13 HydrophobicContact CD2-CD1 4.45Å; L9-I13 HydrophobicContact CG-CD1 3.87Å; L9-I13 HydrophobicContact CG-CG1 4.39Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.47Å; L9-I13 PolarHBondContact O-N 2.97Å; N10-I13 PolarHBondContact O-N 3.44Å; I13-G15 VanDerWaalsContact C-N 3.33Å; I13-G15 PolarHBondContact O-N 2.62Å; I13-F16 PolarHBondContact O-N 3.48Å; I13-G17 PolarHBondContact O-N 3.31Å; I13-L186 WeakPolarHBondContact CG2-O 3.45Å; I13-L189 HydrophobicContact CD1-CB 4.19Å; I13-L189 HydrophobicContact CG2-CB 3.99Å; I13-I190 HydrophobicContact CB-CG1 4.41Å; I13-I190 HydrophobicContact CG2-CG1 3.74Å
14L91.2Very high88.8Confident0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-57-47.4174.8178.668.5000111.2N10 I11 V12 G17 F18 M79 Q119 V122 F139 F187 I190N10-L14 VanDerWaalsContact O-CB 3.28Å; N10-L14 WeakPolarHBondContact O-CB 3.42Å; N10-L14 PolarHBondContact O-N 2.91Å; I11-L14 WeakPolarHBondContact O-CB 3.07Å; I11-L14 PolarHBondContact O-N 3.49Å; V12-L14 PolarHBondContact O-N 3.32Å; L14-G17 PolarHBondContact O-N 3.13Å; L14-F18 HydrophobicContact CD1-CD2 3.92Å; L14-F18 HydrophobicContact CD1-CE2 3.77Å; L14-F18 HydrophobicContact CG-CD2 4.39Å; L14-F18 WeakPolarHBondContact O-CD2 3.47Å; L14-F18 PolarHBondContact O-N 3.02Å; L14-M79 HydrophobicContact CD1-CE 4.21Å; L14-M79 HydrophobicContact CD1-SD 3.5Å; L14-M79 WeakPolarHBondContact CD1-SD 3.22Å; L14-Q119 HydrophobicContact CD1-CG 4.33Å; L14-Q119 HydrophobicContact CD2-CG 4.18Å; L14-Q119 HydrophobicContact CG-CG 4.46Å; L14-V122 HydrophobicContact CD2-CB 4.23Å; L14-V122 HydrophobicContact CD2-CG1 3.92Å; L14-F139 HydrophobicContact CD2-CD2 4.21Å; L14-F139 HydrophobicContact CD2-CE2 4.42Å; L14-F139 HydrophobicContact CG-CD2 4.1Å; L14-F139 HydrophobicContact CG-CE2 4.09Å; L14-F187 HydrophobicContact CD1-CE1 4.34Å; L14-I190 HydrophobicContact CB-CD1 4.15Å; L14-I190 HydrophobicContact CD1-CD1 3.94Å
15G90.1Very high89.6Confident0 Ų026.3 Ų26.30%013%0.132CC..Hα-helixtrans-60.8-44.5177.100000112.9I11 V12 I13 F18 M19I11-G15 PolarHBondContact O-N 2.98Å; V12-G15 PolarHBondContact O-N 3.44Å; I13-G15 VanDerWaalsContact C-N 3.33Å; I13-G15 PolarHBondContact O-N 2.62Å; G15-F18 PolarHBondContact O-N 2.93Å; G15-M19 VanDerWaalsContact O-CB 3.27Å; G15-M19 WeakPolarHBondContact O-CB 3.36Å; G15-M19 PolarHBondContact O-N 3.41Å
16F92.9Very high90Very high82 Ų8227 Ų2736%0.3613%0.129SC..Hα-helixtrans-66-39.9175.6-84.4-68.2000113V12 I13 M19 F20 L142 L186V12-F16 HydrophobicContact CG1-CD2 3.66Å; V12-F16 HydrophobicContact CG1-CE2 3.59Å; V12-F16 VanDerWaalsContact O-CD2 3.28Å; V12-F16 WeakPolarHBondContact O-CD2 3.4Å; V12-F16 PolarHBondContact O-N 3.38Å; I13-F16 PolarHBondContact O-N 3.48Å; F16-M19 HydrophobicContact CD1-CE 3.6Å; F16-M19 HydrophobicContact CD1-SD 4.16Å; F16-M19 HydrophobicContact CE1-CE 3.94Å; F16-M19 HydrophobicContact CE1-SD 4.29Å; F16-M19 WeakPolarHBondContact O-CB 3.47Å; F16-M19 PolarHBondContact O-N 3.4Å; F16-F20 HydrophobicContact CD1-CE2 4.45Å; F16-F20 WeakPolarHBondContact O-CD2 3.26Å; F16-F20 PolarHBondContact O-N 2.91Å; F16-L142 HydrophobicContact CE1-CD2 4.42Å; F16-L142 HydrophobicContact CZ-CD2 4.29Å; F16-L186 HydrophobicContact CB-CD1 4.34Å
17G92.8Very high90.4Very high0 Ų023.4 Ų23.40%011%0.113CC..Hα-helixtrans-60.2-46.9175.400000112I13 L14 M21I13-G17 PolarHBondContact O-N 3.31Å; L14-G17 PolarHBondContact O-N 3.13Å; G17-M21 WeakPolarHBondContact O-CB 3.19Å; G17-M21 PolarHBondContact O-N 3.24Å
18F92.7Very high90.6Very high0 Ų020.4 Ų20.40%010%0.1CC..Hα-helixtrans-63.4-43.7172.9-91.2-107000112L14 G15 F20 M21 F22 M79 L115 W116 Q119 F139 L143 F187L14-F18 HydrophobicContact CD1-CD2 3.92Å; L14-F18 HydrophobicContact CD1-CE2 3.77Å; L14-F18 HydrophobicContact CG-CD2 4.39Å; L14-F18 WeakPolarHBondContact O-CD2 3.47Å; L14-F18 PolarHBondContact O-N 3.02Å; G15-F18 PolarHBondContact O-N 2.93Å; F18-F20 PolarHBondContact O-N 3.17Å; F18-M21 HydrophobicContact CD1-CE 4.35Å; F18-M21 HydrophobicContact CD2-CE 4.43Å; F18-M21 HydrophobicContact CE1-CE 4.42Å; F18-M21 HydrophobicContact CE2-CE 4.49Å; F18-M21 HydrophobicContact CG-CE 4.35Å; F18-M21 HydrophobicContact CZ-CE 4.46Å; F18-M21 PolarHBondContact O-N 3.39Å; F18-F22 HydrophobicContact CB-CD2 4.38Å; F18-F22 AromaticContact CD1-CD2 3.68Å; F18-F22 HydrophobicContact CD1-CD2 3.68Å; F18-F22 AromaticContact CD1-CE2 3.37Å; F18-F22 HydrophobicContact CD1-CE2 3.37Å; F18-F22 HydrophobicContact CD1-CZ 4.43Å; F18-F22 HydrophobicContact CE1-CD2 4.37Å; F18-F22 AromaticContact CE1-CE2 3.61Å; F18-F22 HydrophobicContact CE1-CE2 3.61Å; F18-F22 HydrophobicContact CE1-CZ 4.43Å; F18-F22 HydrophobicContact CG-CD2 4.37Å; F18-F22 HydrophobicContact CG-CE2 4.37Å; F18-F22 WeakPolarHBondContact O-CB 3.32Å; F18-F22 WeakPolarHBondContact O-CD2 3.12Å; F18-F22 PolarHBondContact O-N 2.87Å; F18-M79 HydrophobicContact CE2-SD 4.2Å; F18-L115 HydrophobicContact CE1-CD2 4.17Å; F18-L115 HydrophobicContact CE1-CG 4.09Å; F18-L115 HydrophobicContact CE2-CD1 4.16Å; F18-L115 HydrophobicContact CZ-CD1 3.73Å; F18-L115 HydrophobicContact CZ-CD2 4.17Å; F18-L115 HydrophobicContact CZ-CG 3.65Å; F18-W116 HydrophobicContact CD1-CH2 4.26Å; F18-W116 HydrophobicContact CD1-CZ3 4.37Å; F18-W116 HydrophobicContact CE1-CD2 4.37Å; F18-W116 HydrophobicContact CE1-CE3 4.11Å; F18-W116 HydrophobicContact CE1-CH2 4.15Å; F18-W116 HydrophobicContact CE1-CZ2 4.42Å; F18-W116 AromaticContact CE1-CZ3 4Å; F18-W116 HydrophobicContact CE1-CZ3 4Å; F18-Q119 HydrophobicContact CD2-CG 4.38Å; F18-Q119 HydrophobicContact CE1-CB 4.22Å; F18-Q119 HydrophobicContact CE1-CG 3.99Å; F18-Q119 HydrophobicContact CE2-CB 3.86Å; F18-Q119 HydrophobicContact CE2-CG 3.73Å; F18-Q119 HydrophobicContact CZ-CB 3.44Å; F18-Q119 VanDerWaalsContact CZ-CB 3.44Å; F18-Q119 HydrophobicContact CZ-CG 3.52Å; F18-F139 HydrophobicContact CB-CE2 3.83Å; F18-F139 HydrophobicContact CB-CZ 4.21Å; F18-F139 AromaticContact CD1-CE2 3.99Å; F18-F139 HydrophobicContact CD1-CE2 3.99Å; F18-F139 AromaticContact CD1-CZ 3.66Å; F18-F139 HydrophobicContact CD1-CZ 3.66Å; F18-F139 AromaticContact CD2-CE2 3.84Å; F18-F139 HydrophobicContact CD2-CE2 3.84Å; F18-F139 HydrophobicContact CD2-CZ 4.3Å; F18-F139 HydrophobicContact CE1-CZ 4.11Å; F18-F139 HydrophobicContact CE2-CE2 4.47Å; F18-F139 AromaticContact CG-CE2 3.6Å; F18-F139 HydrophobicContact CG-CE2 3.6Å; F18-F139 AromaticContact CG-CZ 3.78Å; F18-F139 HydrophobicContact CG-CZ 3.78Å; F18-L143 HydrophobicContact CB-CD1 4.18Å; F18-L143 HydrophobicContact CD1-CD1 4.2Å; F18-F187 AromaticContact CD2-CE1 3.73Å; F18-F187 HydrophobicContact CD2-CE1 3.73Å; F18-F187 AromaticContact CD2-CZ 3.78Å; F18-F187 HydrophobicContact CD2-CZ 3.78Å; F18-F187 AromaticContact CE2-CE1 3.92Å; F18-F187 HydrophobicContact CE2-CE1 3.92Å; F18-F187 AromaticContact CE2-CZ 3.83Å; F18-F187 HydrophobicContact CE2-CZ 3.83Å
19M93.1Very high90.6Very high13 Ų1318 Ų186%0.0649%0.09CC..Hα-helixtrans-55.4-51.6178.7-176-169.580.700111G15 F16 T23 L142 F145 S146 F149G15-M19 VanDerWaalsContact O-CB 3.27Å; G15-M19 WeakPolarHBondContact O-CB 3.36Å; G15-M19 PolarHBondContact O-N 3.41Å; F16-M19 HydrophobicContact CD1-CE 3.6Å; F16-M19 HydrophobicContact CD1-SD 4.16Å; F16-M19 HydrophobicContact CE1-CE 3.94Å; F16-M19 HydrophobicContact CE1-SD 4.29Å; F16-M19 WeakPolarHBondContact O-CB 3.47Å; F16-M19 PolarHBondContact O-N 3.4Å; M19-T23 VanDerWaalsContact O-CB 3.24Å; M19-T23 WeakPolarHBondContact O-CB 3.45Å; M19-T23 PolarHBondContact O-N 2.96Å; M19-T23 PolarHBondContact O-OG1 3.39Å; M19-L142 WeakPolarHBondContact CB-O 3.26Å; M19-L142 VanDerWaalsContact CG-O 3.31Å; M19-L142 WeakPolarHBondContact CG-O 3.42Å; M19-F145 HydrophobicContact SD-CB 4.28Å; M19-S146 VanDerWaalsContact O-CB 3.26Å; M19-S146 WeakPolarHBondContact O-CB 3.37Å; M19-F149 HydrophobicContact SD-CE2 4.35Å
20F93.3Very high90.4Very high65 Ų6515.4 Ų15.429%0.2858%0.076SC..Hα-helixtrans-65-43.1-179.6-74-58.7000113.2F16 F18 T23 A24 I179 L186F16-F20 HydrophobicContact CD1-CE2 4.45Å; F16-F20 WeakPolarHBondContact O-CD2 3.26Å; F16-F20 PolarHBondContact O-N 2.91Å; F18-F20 PolarHBondContact O-N 3.17Å; F20-T23 WeakPolarHBondContact O-CB 3.38Å; F20-T23 PolarHBondContact O-N 2.7Å; F20-A24 PolarHBondContact O-N 3Å; F20-I179 HydrophobicContact CB-CG2 4.13Å; F20-I179 HydrophobicContact CD1-CG2 3.8Å; F20-I179 HydrophobicContact CG-CG2 4.41Å; F20-L186 HydrophobicContact CD2-CD1 3.52Å; F20-L186 HydrophobicContact CE2-CD1 3.73Å
21M93.1Very high90.4Very high0 Ų015.1 Ų15.10%08%0.075CC..Hα-helixtrans-66.6-46.4179.3-178.5176.348.700112.3G17 F18 T23 A24 F25 Y86 L115 F187G17-M21 WeakPolarHBondContact O-CB 3.19Å; G17-M21 PolarHBondContact O-N 3.24Å; F18-M21 HydrophobicContact CD1-CE 4.35Å; F18-M21 HydrophobicContact CD2-CE 4.43Å; F18-M21 HydrophobicContact CE1-CE 4.42Å; F18-M21 HydrophobicContact CE2-CE 4.49Å; F18-M21 HydrophobicContact CG-CE 4.35Å; F18-M21 HydrophobicContact CZ-CE 4.46Å; F18-M21 PolarHBondContact O-N 3.39Å; M21-T23 VanDerWaalsContact C-N 3.3Å; M21-T23 PolarHBondContact O-N 2.99Å; M21-A24 PolarHBondContact O-N 3.41Å; M21-F25 PolarHBondContact O-N 2.62Å; M21-Y86 HydrophobicContact SD-CD2 4.36Å; M21-Y86 HydrophobicContact SD-CG 4.3Å; M21-L115 HydrophobicContact CE-CD1 3.91Å; M21-L115 HydrophobicContact CE-CD2 3.44Å; M21-L115 VanDerWaalsContact CE-CD2 3.44Å; M21-L115 HydrophobicContact CE-CG 4.23Å; M21-L115 HydrophobicContact SD-CD2 3.95Å; M21-F187 HydrophobicContact CE-CE2 3.99Å; M21-F187 HydrophobicContact CE-CZ 3.68Å; M21-F187 HydrophobicContact SD-CE2 4.31Å
22F90.5Very high90.4Very high14 Ų1415.2 Ų15.26%0.0618%0.075CC..Hα-helixtrans-73.4-22.5177.4-81.3-91.2000112.7F18 A24 F25 Q26 L115 W116 L143F18-F22 HydrophobicContact CB-CD2 4.38Å; F18-F22 AromaticContact CD1-CD2 3.68Å; F18-F22 HydrophobicContact CD1-CD2 3.68Å; F18-F22 AromaticContact CD1-CE2 3.37Å; F18-F22 HydrophobicContact CD1-CE2 3.37Å; F18-F22 HydrophobicContact CD1-CZ 4.43Å; F18-F22 HydrophobicContact CE1-CD2 4.37Å; F18-F22 AromaticContact CE1-CE2 3.61Å; F18-F22 HydrophobicContact CE1-CE2 3.61Å; F18-F22 HydrophobicContact CE1-CZ 4.43Å; F18-F22 HydrophobicContact CG-CD2 4.37Å; F18-F22 HydrophobicContact CG-CE2 4.37Å; F18-F22 WeakPolarHBondContact O-CB 3.32Å; F18-F22 WeakPolarHBondContact O-CD2 3.12Å; F18-F22 PolarHBondContact O-N 2.87Å; F22-A24 PolarHBondContact O-N 2.76Å; F22-F25 HydrophobicContact CD1-CD1 4.23Å; F22-F25 HydrophobicContact CE1-CD1 4.17Å; F22-F25 PolarHBondContact O-N 3.41Å; F22-Q26 WeakPolarHBondContact O-CB 3.22Å; F22-Q26 PolarHBondContact O-N 2.73Å; F22-L115 HydrophobicContact CE2-CD2 4.06Å; F22-L115 HydrophobicContact CZ-CD2 4.34Å; F22-W116 AromaticContact CE1-CZ2 3.75Å; F22-W116 HydrophobicContact CE1-CZ2 3.75Å; F22-W116 HydrophobicContact CE2-CH2 4.47Å; F22-W116 AromaticContact CE2-CZ2 3.93Å; F22-W116 HydrophobicContact CE2-CZ2 3.93Å; F22-W116 AromaticContact CZ-CE2 3.68Å; F22-W116 HydrophobicContact CZ-CH2 4.22Å; F22-W116 AromaticContact CZ-CZ2 3.3Å; F22-W116 HydrophobicContact CZ-CZ2 3.3Å; F22-W116 AromaticContact CZ-NE1 3.77Å; F22-L143 HydrophobicContact CB-CD1 3.89Å; F22-L143 HydrophobicContact CD1-CD1 4.33Å; F22-L143 HydrophobicContact CD2-CD1 3.74Å; F22-L143 HydrophobicContact CE2-CD1 4.39Å; F22-L143 HydrophobicContact CG-CD1 3.7Å
23T92.1Very high90.3Very high7 Ų713.7 Ų13.74%0.0437%0.065CC..Hα-helixtrans-57.7-42.6169.4-65.80000109.1M19 F20 M21 T27 S146 F149 G150M19-T23 VanDerWaalsContact O-CB 3.24Å; M19-T23 WeakPolarHBondContact O-CB 3.45Å; M19-T23 PolarHBondContact O-N 2.96Å; M19-T23 PolarHBondContact O-OG1 3.39Å; F20-T23 WeakPolarHBondContact O-CB 3.38Å; F20-T23 PolarHBondContact O-N 2.7Å; M21-T23 VanDerWaalsContact C-N 3.3Å; M21-T23 PolarHBondContact O-N 2.99Å; T23-T27 WeakPolarHBondContact O-CB 3.37Å; T23-T27 PolarHBondContact O-OG1 2.88Å; T23-S146 WeakPolarHBondContact OG1-CA 3.21Å; T23-S146 WeakPolarHBondContact OG1-CB 3.41Å; T23-F149 HydrophobicContact CG2-CB 4.15Å; T23-G150 VanDerWaalsContact CG2-CA 3.46Å
24A91.8Very high90Very high0 Ų012.9 Ų12.90%06%0.062CC..Hα-helixtrans-76.2-48.5177.500000112.7F20 M21 F22 C28 I90 L176F20-A24 PolarHBondContact O-N 3Å; M21-A24 PolarHBondContact O-N 3.41Å; F22-A24 PolarHBondContact O-N 2.76Å; A24-C28 WeakPolarHBondContact O-CB 3.44Å; A24-C28 PolarHBondContact O-N 3.31Å; A24-I90 HydrophobicContact CB-CD1 3.47Å; A24-I90 VanDerWaalsContact CB-CD1 3.47Å; A24-I90 HydrophobicContact CB-CG1 4.48Å; A24-L176 HydrophobicContact CB-CB 3.99Å; A24-L176 HydrophobicContact CB-CD2 4.45Å; A24-L176 VanDerWaalsContact CB-O 3.28Å; A24-L176 WeakPolarHBondContact CB-O 3.4Å
25F90.7Very high89.7Confident13 Ų1313 Ų136%0.0576%0.063CC..Hα-helixtrans-66.4-47.2-175.7-178.9-102.9000113.3M21 F22 C28 G29 M52 I55 Y86 Y89 V108M21-F25 PolarHBondContact O-N 2.62Å; F22-F25 HydrophobicContact CD1-CD1 4.23Å; F22-F25 HydrophobicContact CE1-CD1 4.17Å; F22-F25 PolarHBondContact O-N 3.41Å; F25-C28 WeakPolarHBondContact O-CB 3.3Å; F25-C28 PolarHBondContact O-N 3.35Å; F25-G29 PolarHBondContact O-N 3.25Å; F25-M52 HydrophobicContact CZ-CE 4.33Å; F25-I55 HydrophobicContact CE2-CD1 4.42Å; F25-I55 HydrophobicContact CZ-CG2 4.43Å; F25-Y86 HydrophobicContact CB-CD1 4.02Å; F25-Y86 HydrophobicContact CB-CE1 4.24Å; F25-Y86 HydrophobicContact CD1-CD1 4.48Å; F25-Y86 AromaticContact CD1-CE1 3.9Å; F25-Y86 HydrophobicContact CD1-CE1 3.9Å; F25-Y86 AromaticContact CD2-CD1 3.48Å; F25-Y86 HydrophobicContact CD2-CD1 3.48Å; F25-Y86 VanDerWaalsContact CD2-CD1 3.48Å; F25-Y86 AromaticContact CD2-CE1 3.51Å; F25-Y86 HydrophobicContact CD2-CE1 3.51Å; F25-Y86 HydrophobicContact CE1-CE1 4.11Å; F25-Y86 HydrophobicContact CE2-CD1 4.05Å; F25-Y86 AromaticContact CE2-CE1 3.74Å; F25-Y86 HydrophobicContact CE2-CE1 3.74Å; F25-Y86 AromaticContact CG-CD1 3.73Å; F25-Y86 HydrophobicContact CG-CD1 3.73Å; F25-Y86 AromaticContact CG-CE1 3.59Å; F25-Y86 HydrophobicContact CG-CE1 3.59Å; F25-Y86 HydrophobicContact CZ-CE1 4.03Å; F25-Y89 HydrophobicContact CD2-CD1 4.28Å; F25-Y89 HydrophobicContact CD2-CE1 4.33Å; F25-Y89 HydrophobicContact CE2-CD1 4.2Å; F25-Y89 HydrophobicContact CE2-CE1 4.02Å; F25-V108 HydrophobicContact CE2-CG1 3.94Å; F25-V108 HydrophobicContact CZ-CG1 4.46Å
26Q88.2Confident89.5Confident37 Ų3713.5 Ų13.517%0.1737%0.065CC..Hα-helixtrans-67.8-40.2-178.1-171.361.747.900111.5F22 G29 N30 L147F22-Q26 WeakPolarHBondContact O-CB 3.22Å; F22-Q26 PolarHBondContact O-N 2.73Å; Q26-G29 PolarHBondContact O-N 3.26Å; Q26-N30 PolarHBondContact NE2-OD1 2.96Å; Q26-N30 VanDerWaalsContact O-CG 3.31Å; Q26-N30 PolarHBondContact O-N 3.27Å; Q26-N30 PolarHBondContact O-OD1 3.49Å; Q26-L147 HydrophobicContact CB-CD2 4.43Å; Q26-L147 HydrophobicContact CG-CD2 3.26Å; Q26-L147 HydrophobicContact CG-CG 4.14Å
27T88.9Confident89Confident0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-62.9-44.5174.3-59.70000111.3T23 G29 N30 I31 G150 I154 L176T23-T27 WeakPolarHBondContact O-CB 3.37Å; T23-T27 PolarHBondContact O-OG1 2.88Å; T27-G29 VanDerWaalsContact C-N 3.3Å; T27-G29 PolarHBondContact O-N 2.65Å; T27-N30 PolarHBondContact O-N 3.45Å; T27-I31 VanDerWaalsContact O-CG1 3.31Å; T27-I31 WeakPolarHBondContact O-CG1 3.45Å; T27-I31 PolarHBondContact O-N 3.26Å; T27-G150 WeakPolarHBondContact CG2-O 3.36Å; T27-G150 WeakPolarHBondContact OG1-CA 3.48Å; T27-I154 HydrophobicContact CG2-CB 4.45Å; T27-I154 HydrophobicContact CG2-CD1 3.83Å; T27-I154 HydrophobicContact CG2-CG1 3.17Å; T27-L176 HydrophobicContact CG2-CD1 4.12Å
28C88.1Confident88.2Confident0 Ų012.9 Ų12.90%06%0.063CC..Hα-helixtrans-56.7-45.8173.9178.70000110.8A24 F25 I31 E32 F93 F173A24-C28 WeakPolarHBondContact O-CB 3.44Å; A24-C28 PolarHBondContact O-N 3.31Å; F25-C28 WeakPolarHBondContact O-CB 3.3Å; F25-C28 PolarHBondContact O-N 3.35Å; C28-I31 PolarHBondContact O-N 2.89Å; C28-E32 VanDerWaalsContact O-CA 3.27Å; C28-E32 WeakPolarHBondContact O-CA 3.49Å; C28-E32 VanDerWaalsContact O-CB 3.24Å; C28-E32 WeakPolarHBondContact O-CB 3.43Å; C28-E32 PolarHBondContact O-N 2.91Å; C28-F93 WeakPolarHBondContact SG-CE2 3.35Å; C28-F173 HydrophobicContact CB-CE1 4.26Å
29G85.5Confident87.5Confident8 Ų814.8 Ų14.88%0.0827%0.072CC..Hα-helixtrans-63-42.6178.500000114.1F25 Q26 T27 I31 E32F25-G29 PolarHBondContact O-N 3.25Å; Q26-G29 PolarHBondContact O-N 3.26Å; T27-G29 VanDerWaalsContact C-N 3.3Å; T27-G29 PolarHBondContact O-N 2.65Å; G29-I31 VanDerWaalsContact C-N 3.26Å; G29-I31 PolarHBondContact O-N 3.42Å; G29-E32 PolarHBondContact O-N 2.96Å
30N85.6Confident86.2Confident7 Ų721.2 Ų21.24%0.03711%0.106CC..Hα-helixtrans-61-35.2178.6-72.62.5000112.8Q26 T27 N151 S263Q26-N30 PolarHBondContact NE2-OD1 2.96Å; Q26-N30 VanDerWaalsContact O-CG 3.31Å; Q26-N30 PolarHBondContact O-N 3.27Å; Q26-N30 PolarHBondContact O-OD1 3.49Å; T27-N30 PolarHBondContact O-N 3.45Å; N30-N151 PolarHBondContact ND2-ND2 3.43Å; N30-N151 PolarHBondContact ND2-OD1 2.94Å; N30-S263 WeakPolarHBondContact CA-O 3.4Å; N30-S263 PolarHBondContact OD1-O 3.26Å
31I87.9Confident84.8Confident0 Ų020.1 Ų20.10%011%0.107CC..Hα-helixtrans-102.4-4.6-176.172.8-170.7000113.5T27 C28 G29 Q33 T34 V35 I154 W158 F173 I284T27-I31 VanDerWaalsContact O-CG1 3.31Å; T27-I31 WeakPolarHBondContact O-CG1 3.45Å; T27-I31 PolarHBondContact O-N 3.26Å; C28-I31 PolarHBondContact O-N 2.89Å; G29-I31 VanDerWaalsContact C-N 3.26Å; G29-I31 PolarHBondContact O-N 3.42Å; I31-Q33 PolarHBondContact O-N 2.84Å; I31-T34 WeakPolarHBondContact O-CB 3.33Å; I31-T34 PolarHBondContact O-N 3.14Å; I31-T34 VanDerWaalsContact O-N 3.12Å; I31-V35 HydrophobicContact CB-CG2 4.22Å; I31-V35 HydrophobicContact CD1-CG2 4.2Å; I31-V35 HydrophobicContact CG1-CG2 3.93Å; I31-V35 WeakPolarHBondContact O-CG2 3.27Å; I31-V35 PolarHBondContact O-N 2.6Å; I31-I154 HydrophobicContact CD1-CD1 3.58Å; I31-I154 HydrophobicContact CD1-CG1 4.2Å; I31-I154 HydrophobicContact CG2-CG1 4.33Å; I31-I154 HydrophobicContact CG2-CG2 4.02Å; I31-W158 HydrophobicContact CB-CH2 3.67Å; I31-W158 HydrophobicContact CB-CZ3 3.96Å; I31-W158 HydrophobicContact CD1-CH2 3.66Å; I31-W158 HydrophobicContact CD1-CZ2 4.16Å; I31-W158 HydrophobicContact CD1-CZ3 4.5Å; I31-W158 HydrophobicContact CG1-CH2 4.05Å; I31-W158 HydrophobicContact CG2-CH2 3.8Å; I31-W158 HydrophobicContact CG2-CZ3 3.66Å; I31-F173 HydrophobicContact CD1-CZ 3.98Å; I31-F173 HydrophobicContact CG1-CZ 4.36Å; I31-I284 HydrophobicContact CG2-CG2 4.02Å
32E88Confident83.2Confident3 Ų326.2 Ų26.21%0.01414%0.144CC..Hα-helixtrans-54.2-55-165.6-167.3170.6151.700111.8C28 G29 T34 V35 I36 G48 S51 M52 Y89 F93 F101C28-E32 VanDerWaalsContact O-CA 3.27Å; C28-E32 WeakPolarHBondContact O-CA 3.49Å; C28-E32 VanDerWaalsContact O-CB 3.24Å; C28-E32 WeakPolarHBondContact O-CB 3.43Å; C28-E32 PolarHBondContact O-N 2.91Å; G29-E32 PolarHBondContact O-N 2.96Å; E32-T34 VanDerWaalsContact C-N 3.32Å; E32-T34 PolarHBondContact O-N 3.37Å; E32-V35 PolarHBondContact O-N 3.01Å; E32-I36 WeakPolarHBondContact O-CB 3.32Å; E32-I36 VanDerWaalsContact O-CG1 3.25Å; E32-I36 WeakPolarHBondContact O-CG1 3.44Å; E32-I36 PolarHBondContact O-N 2.95Å; E32-G48 VanDerWaalsContact OE1-CA 3.29Å; E32-G48 WeakPolarHBondContact OE1-CA 3.36Å; E32-S51 WeakPolarHBondContact OE1-CB 3.27Å; E32-S51 PolarHBondContact OE1-OG 3.46Å; E32-M52 WeakPolarHBondContact OE2-CE 3.45Å; E32-Y89 PolarHBondContact OE1-OH 3.41Å; E32-Y89 PolarHBondContact OE2-OH 3Å; E32-F93 HydrophobicContact CG-CE1 3.66Å; E32-F93 HydrophobicContact CG-CZ 3.58Å; E32-F101 WeakPolarHBondContact OE1-CZ 3.35Å
33Q87.4Confident81.9Confident11 Ų1133 Ų335%0.05118%0.176CC..Hα-helixtrans-64.4-38.9-177.7-17269.3-9.900111.9I31 K37 S47 G48 Y49 T268I31-Q33 PolarHBondContact O-N 2.84Å; Q33-K37 HydrophobicContact CG-CD 4.43Å; Q33-K37 WeakPolarHBondContact O-CB 3.37Å; Q33-K37 WeakPolarHBondContact O-CG 3.32Å; Q33-K37 PolarHBondContact O-N 3.21Å; Q33-S47 PolarHBondContact NE2-OG 3.31Å; Q33-S47 PolarHBondContact OE1-OG 3.15Å; Q33-G48 VanDerWaalsContact OE1-CA 3.31Å; Q33-Y49 HydrophobicContact CB-CD1 4.11Å; Q33-Y49 HydrophobicContact CB-CE1 3.72Å; Q33-Y49 HydrophobicContact CG-CD1 4.16Å; Q33-Y49 HydrophobicContact CG-CD2 4.18Å; Q33-Y49 HydrophobicContact CG-CE1 3.78Å; Q33-Y49 HydrophobicContact CG-CE2 3.83Å; Q33-Y49 HydrophobicContact CG-CG 4.34Å; Q33-T268 HydrophobicContact CB-CG2 4.05Å; Q33-T268 HydrophobicContact CG-CG2 3.82Å
34T85.6Confident81.1Confident11 Ų1133.5 Ų33.57%0.06718%0.178CC..Hα-helixtrans-65.1-44178.9-55.20000111.6I31 E32 S38 K281 I284I31-T34 WeakPolarHBondContact O-CB 3.33Å; I31-T34 PolarHBondContact O-N 3.14Å; I31-T34 VanDerWaalsContact O-N 3.12Å; E32-T34 VanDerWaalsContact C-N 3.32Å; E32-T34 PolarHBondContact O-N 3.37Å; T34-S38 WeakPolarHBondContact O-CB 3.46Å; T34-S38 PolarHBondContact O-N 2.95Å; T34-S38 VanDerWaalsContact O-N 3.15Å; T34-S38 PolarHBondContact O-OG 2.98Å; T34-K281 HydrophobicContact CG2-CG 4.49Å; T34-I284 HydrophobicContact CG2-CD1 3.91Å
35V85.8Confident80.2Confident3 Ų340.8 Ų40.82%0.01821%0.212CC..Hα-helixtrans-67-46.1178.8170.90000110.7I31 E32 S38 F39 W158 R169 F173I31-V35 HydrophobicContact CB-CG2 4.22Å; I31-V35 HydrophobicContact CD1-CG2 4.2Å; I31-V35 HydrophobicContact CG1-CG2 3.93Å; I31-V35 WeakPolarHBondContact O-CG2 3.27Å; I31-V35 PolarHBondContact O-N 2.6Å; E32-V35 PolarHBondContact O-N 3.01Å; V35-S38 PolarHBondContact O-N 3.33Å; V35-S38 VanDerWaalsContact O-N 3.16Å; V35-F39 PolarHBondContact O-N 3.15Å; V35-W158 HydrophobicContact CG2-CH2 3.64Å; V35-W158 HydrophobicContact CG2-CZ2 3.91Å; V35-R169 VanDerWaalsContact CG1-CD 3.42Å; V35-R169 HydrophobicContact CG1-CG 3.88Å; V35-F173 HydrophobicContact CB-CE2 4.46Å; V35-F173 HydrophobicContact CG1-CE2 3.79Å; V35-F173 HydrophobicContact CG1-CZ 4.24Å; V35-F173 HydrophobicContact CG2-CE2 4.09Å; V35-F173 HydrophobicContact CG2-CZ 4.26Å
36I85.7Confident79.6Confident9 Ų941 Ų415%0.04622%0.217CC..Hα-helixtrans-63.1-43.3-179-71.9-59.6000111.3E32 S38 F39 F44 G46 F93 F101E32-I36 WeakPolarHBondContact O-CB 3.32Å; E32-I36 VanDerWaalsContact O-CG1 3.25Å; E32-I36 WeakPolarHBondContact O-CG1 3.44Å; E32-I36 PolarHBondContact O-N 2.95Å; I36-S38 VanDerWaalsContact C-N 3.26Å; I36-S38 PolarHBondContact O-N 2.96Å; I36-F39 WeakPolarHBondContact O-CB 3.45Å; I36-F39 PolarHBondContact O-N 3.04Å; I36-F39 VanDerWaalsContact O-N 3.12Å; I36-F44 HydrophobicContact CD1-CE1 4.01Å; I36-F44 HydrophobicContact CD1-CZ 3.83Å; I36-F44 HydrophobicContact CG2-CE1 3.57Å; I36-F44 HydrophobicContact CG2-CZ 4.28Å; I36-G46 VanDerWaalsContact CG2-O 3.31Å; I36-G46 WeakPolarHBondContact CG2-O 3.39Å; I36-F93 HydrophobicContact CD1-CD1 4.09Å; I36-F93 HydrophobicContact CD1-CE1 3.87Å; I36-F93 HydrophobicContact CG1-CE1 3.98Å; I36-F101 HydrophobicContact CD1-CZ 4.35Å; I36-F101 HydrophobicContact CG1-CZ 4.45Å
37K82Confident79.6Confident58 Ų5840 Ų4025%0.25221%0.214SC..Hα-helixtrans-66-27.8175.4-75.3-174.2179179.60113.5Q33 F39 P340 L341 A342Q33-K37 HydrophobicContact CG-CD 4.43Å; Q33-K37 WeakPolarHBondContact O-CB 3.37Å; Q33-K37 WeakPolarHBondContact O-CG 3.32Å; Q33-K37 PolarHBondContact O-N 3.21Å; K37-F39 PolarHBondContact O-N 3.28Å; K37-P340 PolarHBondContact NZ-O 3Å; K37-L341 VanDerWaalsContact NZ-C 3.25Å; K37-L341 PolarHBondContact NZ-O 2.91Å; K37-A342 VanDerWaalsContact CD-O 3.29Å; K37-A342 WeakPolarHBondContact CD-O 3.48Å; K37-A342 WeakPolarHBondContact CE-O 3.48Å; K37-A342 PolarHBondContact NZ-O 3.2Å
38S76.8Confident79.5Confident11 Ų1140 Ų408%0.07722%0.215CC..THydrogen-bonded Turntrans-78.8-5.3176-52.50000113.1T34 V35 I36 N40T34-S38 WeakPolarHBondContact O-CB 3.46Å; T34-S38 PolarHBondContact O-N 2.95Å; T34-S38 VanDerWaalsContact O-N 3.15Å; T34-S38 PolarHBondContact O-OG 2.98Å; V35-S38 PolarHBondContact O-N 3.33Å; V35-S38 VanDerWaalsContact O-N 3.16Å; I36-S38 VanDerWaalsContact C-N 3.26Å; I36-S38 PolarHBondContact O-N 2.96Å; S38-N40 PolarHBondContact O-N 3.33Å
39F77.9Confident79.7Confident41 Ų4140.2 Ų40.218%0.1822%0.215CC..  trans-85.898.1178.1-172.4-114.8000110.5V35 I36 K37 S41 F44 P96V35-F39 PolarHBondContact O-N 3.15Å; I36-F39 WeakPolarHBondContact O-CB 3.45Å; I36-F39 PolarHBondContact O-N 3.04Å; I36-F39 VanDerWaalsContact O-N 3.12Å; K37-F39 PolarHBondContact O-N 3.28Å; F39-S41 PolarHBondContact O-N 2.92Å; F39-S41 VanDerWaalsContact O-N 3.1Å; F39-F44 HydrophobicContact CD1-CB 3.8Å; F39-F44 HydrophobicContact CD1-CD1 4.1Å; F39-F44 AromaticContact CD1-CG 3.93Å; F39-F44 HydrophobicContact CD1-CG 3.93Å; F39-F44 HydrophobicContact CE1-CB 3.76Å; F39-F44 HydrophobicContact CE1-CG 4.16Å; F39-P96 HydrophobicContact CD1-CG 3.79Å; F39-P96 HydrophobicContact CD2-CG 4.11Å; F39-P96 HydrophobicContact CE1-CG 3.65Å; F39-P96 HydrophobicContact CE2-CG 3.98Å; F39-P96 HydrophobicContact CG-CG 4Å; F39-P96 HydrophobicContact CZ-CG 3.75Å
40N65.5Low80Confident147 Ų14741.6 Ų41.679%0.78622%0.222SC*.  trans-82.983.4179.2-168.14.6000111.1S38S38-N40 PolarHBondContact O-N 3.33Å
41S63.6Low80.4Confident42 Ų4241.2 Ų41.229%0.29422%0.22SC..  trans-130.8134.8171.7178.90000110.9F39 E43 F44F39-S41 PolarHBondContact O-N 2.92Å; F39-S41 VanDerWaalsContact O-N 3.1Å; S41-E43 PolarHBondContact O-N 3.5Å; S41-E43 PolarHBondContact OG-N 3.25Å; S41-F44 PolarHBondContact O-N 2.9Å
42T60.3Low80.5Confident128 Ų12841.8 Ų41.879%0.78522%0.223SC*.THydrogen-bonded Turntrans-69.1-14.6177.550.50000113.6
43E62.3Low80.8Confident158 Ų15842.2 Ų42.274%0.73823%0.227SC*.THydrogen-bonded Turntrans-100.3-14.2-177.4-64-172.8161.700113.3S41 T98S41-E43 PolarHBondContact O-N 3.5Å; S41-E43 PolarHBondContact OG-N 3.25Å; E43-T98 PolarHBondContact O-OG1 3.46Å
44F75.2Confident81.2Confident17 Ų1744 Ų448%0.07524%0.236CC..  trans-99.7113.8-177.8-172.4-89.1000111.3I36 F39 S41 P96 T98 F101I36-F44 HydrophobicContact CD1-CE1 4.01Å; I36-F44 HydrophobicContact CD1-CZ 3.83Å; I36-F44 HydrophobicContact CG2-CE1 3.57Å; I36-F44 HydrophobicContact CG2-CZ 4.28Å; F39-F44 HydrophobicContact CD1-CB 3.8Å; F39-F44 HydrophobicContact CD1-CD1 4.1Å; F39-F44 AromaticContact CD1-CG 3.93Å; F39-F44 HydrophobicContact CD1-CG 3.93Å; F39-F44 HydrophobicContact CE1-CB 3.76Å; F39-F44 HydrophobicContact CE1-CG 4.16Å; S41-F44 PolarHBondContact O-N 2.9Å; F44-P96 HydrophobicContact CD2-CB 4.1Å; F44-P96 HydrophobicContact CE2-CB 3.83Å; F44-P96 HydrophobicContact CZ-CB 4.35Å; F44-T98 WeakPolarHBondContact CA-OG1 3.07Å; F44-T98 WeakPolarHBondContact CD2-OG1 3.32Å; F44-F101 HydrophobicContact CE2-CB 4.44Å; F44-F101 HydrophobicContact CE2-CD1 4.45Å; F44-F101 HydrophobicContact CZ-CD1 4.04Å; F44-F101 HydrophobicContact CZ-CE1 4.45Å
45H72.6Confident81.6Confident153 Ų15343.7 Ų43.771%0.70823%0.234SC*.  trans-122.140.9177.8-64.2-59.4000111.3T98H45-T98 PolarHBondContact N-OG1 3.3Å
46G79.2Confident81.9Confident16 Ų1645.3 Ų45.317%0.16524%0.24CC..  trans-90.8157.1176.400000113.1I36 Y102I36-G46 VanDerWaalsContact CG2-O 3.31Å; I36-G46 WeakPolarHBondContact CG2-O 3.39Å; G46-Y102 WeakPolarHBondContact CA-OH 3.3Å
47S87.3Confident82.3Confident17 Ų1746.2 Ų46.212%0.11925%0.252CS..  trans-128.3132.3170.8174.50000109.2Q33 Y49 T50 S51 Y102 N413Q33-S47 PolarHBondContact NE2-OG 3.31Å; Q33-S47 PolarHBondContact OE1-OG 3.15Å; S47-Y49 VanDerWaalsContact C-N 3.28Å; S47-Y49 PolarHBondContact O-N 3.12Å; S47-Y49 PolarHBondContact OG-N 2.93Å; S47-T50 PolarHBondContact O-N 3.4Å; S47-S51 PolarHBondContact O-N 3.24Å; S47-Y102 PolarHBondContact N-OH 2.84Å; S47-N413 WeakPolarHBondContact CB-OD1 3.37Å; S47-N413 PolarHBondContact OG-OD1 2.92Å
48G88.1Confident82.9Confident1 Ų145 Ų451%0.0125%0.25CC..Hα-helixtrans-63.8-35175.900000112.2E32 Q33 T50 S51 M52E32-G48 VanDerWaalsContact OE1-CA 3.29Å; E32-G48 WeakPolarHBondContact OE1-CA 3.36Å; Q33-G48 VanDerWaalsContact OE1-CA 3.31Å; G48-T50 VanDerWaalsContact C-N 3.34Å; G48-T50 PolarHBondContact O-N 3.04Å; G48-S51 WeakPolarHBondContact O-CB 3.46Å; G48-S51 PolarHBondContact O-N 3.24Å; G48-M52 PolarHBondContact O-N 3.48Å
49Y91.5Very high83.5Confident4 Ų445.6 Ų45.62%0.01625%0.251CS..Hα-helixtrans-62.3-40.2172.3-65.7-24.3000112.4Q33 S47 A53 V265 T268 F409 S412Q33-Y49 HydrophobicContact CB-CD1 4.11Å; Q33-Y49 HydrophobicContact CB-CE1 3.72Å; Q33-Y49 HydrophobicContact CG-CD1 4.16Å; Q33-Y49 HydrophobicContact CG-CD2 4.18Å; Q33-Y49 HydrophobicContact CG-CE1 3.78Å; Q33-Y49 HydrophobicContact CG-CE2 3.83Å; Q33-Y49 HydrophobicContact CG-CG 4.34Å; S47-Y49 VanDerWaalsContact C-N 3.28Å; S47-Y49 PolarHBondContact O-N 3.12Å; S47-Y49 PolarHBondContact OG-N 2.93Å; Y49-A53 WeakPolarHBondContact O-CB 3.48Å; Y49-A53 PolarHBondContact O-N 2.91Å; Y49-V265 HydrophobicContact CE1-CG2 4.35Å; Y49-T268 WeakPolarHBondContact OH-CB 3.42Å; Y49-T268 WeakPolarHBondContact OH-CG2 3.45Å; Y49-T268 PolarHBondContact OH-OG1 3.43Å; Y49-F409 WeakPolarHBondContact CB-O 3.39Å; Y49-F409 HydrophobicContact CD1-CD1 4.07Å; Y49-F409 HydrophobicContact CD1-CE1 4.44Å; Y49-F409 WeakPolarHBondContact O-CB 3.17Å; Y49-S412 WeakPolarHBondContact CE2-O 3.46Å
50T92.6Very high83.9Confident36 Ų3643.8 Ų43.822%0.22124%0.243CC..Hα-helixtrans-66.7-39.5175.1-560000111.8S47 G48 A53 I54 Y102 N413S47-T50 PolarHBondContact O-N 3.4Å; G48-T50 VanDerWaalsContact C-N 3.34Å; G48-T50 PolarHBondContact O-N 3.04Å; T50-A53 PolarHBondContact O-N 2.88Å; T50-I54 HydrophobicContact CG2-CD1 4.08Å; T50-I54 VanDerWaalsContact O-CG1 3.28Å; T50-I54 WeakPolarHBondContact O-CG1 3.5Å; T50-I54 PolarHBondContact O-N 3.17Å; T50-Y102 HydrophobicContact CG2-CE1 3.73Å; T50-N413 PolarHBondContact OG1-ND2 3.21Å
51S92.8Very high85Confident0 Ų039.7 Ų39.70%023%0.23CC..Hα-helixtrans-59-50.9174.8161.40000111.5E32 S47 G48 A53 I54 I55 Y89 F101 S105E32-S51 WeakPolarHBondContact OE1-CB 3.27Å; E32-S51 PolarHBondContact OE1-OG 3.46Å; S47-S51 PolarHBondContact O-N 3.24Å; G48-S51 WeakPolarHBondContact O-CB 3.46Å; G48-S51 PolarHBondContact O-N 3.24Å; S51-A53 VanDerWaalsContact C-N 3.35Å; S51-A53 PolarHBondContact O-N 3.44Å; S51-I54 WeakPolarHBondContact O-CB 3.5Å; S51-I54 PolarHBondContact O-N 2.87Å; S51-I54 VanDerWaalsContact O-N 3.12Å; S51-I55 WeakPolarHBondContact O-CG1 3.41Å; S51-I55 PolarHBondContact O-N 2.87Å; S51-Y89 PolarHBondContact OG-OH 3.45Å; S51-F101 VanDerWaalsContact CB-CE1 3.5Å; S51-F101 WeakPolarHBondContact OG-CZ 3.38Å; S51-S105 PolarHBondContact OG-OG 3.04Å
52M91.3Very high86.1Confident11 Ų1138.6 Ų38.65%0.05422%0.222CC..Hα-helixtrans-61.1-40.5175.3-79.3-68.3-178.900112.9F25 E32 G48 I54 I55 Y56 F409F25-M52 HydrophobicContact CZ-CE 4.33Å; E32-M52 WeakPolarHBondContact OE2-CE 3.45Å; G48-M52 PolarHBondContact O-N 3.48Å; M52-I54 VanDerWaalsContact C-N 3.29Å; M52-I54 PolarHBondContact O-N 3.33Å; M52-I55 PolarHBondContact O-N 3Å; M52-I55 HydrophobicContact SD-CD1 4.15Å; M52-Y56 VanDerWaalsContact O-CD2 3.31Å; M52-Y56 WeakPolarHBondContact O-CD2 3.48Å; M52-Y56 PolarHBondContact O-N 3.14Å; M52-Y56 HydrophobicContact SD-CD2 4.44Å; M52-Y56 HydrophobicContact SD-CE2 3.99Å; M52-F409 HydrophobicContact CB-CB 4.31Å; M52-F409 HydrophobicContact CB-CD1 3.63Å; M52-F409 HydrophobicContact CB-CD2 3.77Å; M52-F409 HydrophobicContact CB-CE1 3.76Å; M52-F409 HydrophobicContact CB-CE2 3.91Å; M52-F409 HydrophobicContact CB-CG 3.64Å; M52-F409 HydrophobicContact CB-CZ 3.91Å; M52-F409 HydrophobicContact CG-CD1 4.39Å; M52-F409 HydrophobicContact CG-CE1 4.06Å; M52-F409 HydrophobicContact CG-CE2 4.48Å; M52-F409 HydrophobicContact CG-CZ 4.12Å
53A94.1Very high87.1Confident13 Ų1334.2 Ų34.211%0.10719%0.194CC..Hα-helixtrans-58.6-42.5174.400000112Y49 T50 S51 G57 A406 F409 F410Y49-A53 WeakPolarHBondContact O-CB 3.48Å; Y49-A53 PolarHBondContact O-N 2.91Å; T50-A53 PolarHBondContact O-N 2.88Å; S51-A53 VanDerWaalsContact C-N 3.35Å; S51-A53 PolarHBondContact O-N 3.44Å; A53-G57 PolarHBondContact O-N 2.79Å; A53-A406 WeakPolarHBondContact CB-O 3.34Å; A53-A406 WeakPolarHBondContact O-CB 3.45Å; A53-F409 HydrophobicContact CB-CB 3.83Å; A53-F410 HydrophobicContact CB-CB 4.18Å
54I94.7Very high87.7Confident47 Ų4730.5 Ų30.524%0.24118%0.179CC..Hα-helixtrans-64.5-47.3175.5-68.3164.2000110.7T50 S51 M52 Y56 G57 V58 Y102 V106T50-I54 HydrophobicContact CG2-CD1 4.08Å; T50-I54 VanDerWaalsContact O-CG1 3.28Å; T50-I54 WeakPolarHBondContact O-CG1 3.5Å; T50-I54 PolarHBondContact O-N 3.17Å; S51-I54 WeakPolarHBondContact O-CB 3.5Å; S51-I54 PolarHBondContact O-N 2.87Å; S51-I54 VanDerWaalsContact O-N 3.12Å; M52-I54 VanDerWaalsContact C-N 3.29Å; M52-I54 PolarHBondContact O-N 3.33Å; I54-Y56 PolarHBondContact O-N 2.99Å; I54-G57 PolarHBondContact O-N 3.45Å; I54-V58 HydrophobicContact CG2-CG2 4.1Å; I54-V58 WeakPolarHBondContact O-CB 3.33Å; I54-V58 VanDerWaalsContact O-CG2 3.26Å; I54-V58 WeakPolarHBondContact O-CG2 3.22Å; I54-V58 PolarHBondContact O-N 2.86Å; I54-Y102 HydrophobicContact CD1-CD1 3.63Å; I54-Y102 HydrophobicContact CD1-CE1 4.26Å; I54-Y102 HydrophobicContact CD1-CG 4.13Å; I54-V106 HydrophobicContact CG2-CB 4.4Å; I54-V106 HydrophobicContact CG2-CG2 3.5Å
55I94.1Very high87.9Confident5 Ų536.1 Ų36.13%0.02621%0.207CC..Hα-helixtrans-56.2-52.9179.9-69165.3000110.4F25 S51 M52 F59 Y89 S105 V108 G109F25-I55 HydrophobicContact CE2-CD1 4.42Å; F25-I55 HydrophobicContact CZ-CG2 4.43Å; S51-I55 WeakPolarHBondContact O-CG1 3.41Å; S51-I55 PolarHBondContact O-N 2.87Å; M52-I55 PolarHBondContact O-N 3Å; M52-I55 HydrophobicContact SD-CD1 4.15Å; I55-F59 WeakPolarHBondContact O-CB 3.37Å; I55-F59 PolarHBondContact O-N 3.39Å; I55-Y89 HydrophobicContact CD1-CE1 4.26Å; I55-Y89 HydrophobicContact CD1-CE2 3.96Å; I55-S105 WeakPolarHBondContact CG1-O 3.45Å; I55-V108 HydrophobicContact CD1-CG1 4.47Å; I55-V108 HydrophobicContact CG1-CG1 4.48Å; I55-V108 HydrophobicContact CG2-CG1 4.25Å; I55-G109 WeakPolarHBondContact O-CA 3.15Å
56Y92.6Very high88.1Confident37 Ų3728.9 Ų28.915%0.14517%0.173CC..Hα-helixtrans-68.8-36.8-177.7-80.9-79000112.7M52 I54 S60 L259 A405 F409M52-Y56 VanDerWaalsContact O-CD2 3.31Å; M52-Y56 WeakPolarHBondContact O-CD2 3.48Å; M52-Y56 PolarHBondContact O-N 3.14Å; M52-Y56 HydrophobicContact SD-CD2 4.44Å; M52-Y56 HydrophobicContact SD-CE2 3.99Å; I54-Y56 PolarHBondContact O-N 2.99Å; Y56-S60 WeakPolarHBondContact O-CB 3.37Å; Y56-S60 PolarHBondContact O-N 3.2Å; Y56-L259 HydrophobicContact CE1-CD2 4.04Å; Y56-A405 HydrophobicContact CD1-CB 4.1Å; Y56-A405 HydrophobicContact CE1-CB 4.47Å; Y56-A405 HydrophobicContact CG-CB 4.16Å; Y56-F409 AromaticContact CD2-CD2 3.92Å; Y56-F409 HydrophobicContact CD2-CD2 3.92Å; Y56-F409 AromaticContact CD2-CE2 3.74Å; Y56-F409 HydrophobicContact CD2-CE2 3.74Å; Y56-F409 HydrophobicContact CE2-CD2 4.21Å; Y56-F409 AromaticContact CE2-CE2 3.54Å; Y56-F409 HydrophobicContact CE2-CE2 3.54Å; Y56-F409 HydrophobicContact CE2-CZ 4.39Å
57G93.4Very high87.9Confident29 Ų2930.7 Ų30.730%0.29918%0.182SC..Hα-helixtrans-65-46.9175.900000112.4A53 I54 S60 A61A53-G57 PolarHBondContact O-N 2.79Å; I54-G57 PolarHBondContact O-N 3.45Å; G57-S60 WeakPolarHBondContact O-CB 3.38Å; G57-S60 PolarHBondContact O-N 2.76Å; G57-A61 PolarHBondContact O-N 3.26Å
58V94.3Very high87.3Confident33 Ų3331.6 Ų31.620%0.219%0.189CC..Hα-helixtrans-69.5-39.1177.91760000111.2I54 S60 A61 S62 V106 V110I54-V58 HydrophobicContact CG2-CG2 4.1Å; I54-V58 WeakPolarHBondContact O-CB 3.33Å; I54-V58 VanDerWaalsContact O-CG2 3.26Å; I54-V58 WeakPolarHBondContact O-CG2 3.22Å; I54-V58 PolarHBondContact O-N 2.86Å; V58-S60 VanDerWaalsContact C-N 3.29Å; V58-S60 PolarHBondContact O-N 2.97Å; V58-A61 PolarHBondContact O-N 3.5Å; V58-S62 WeakPolarHBondContact O-CB 3.45Å; V58-S62 PolarHBondContact O-N 3.46Å; V58-S62 PolarHBondContact O-OG 3.21Å; V58-V106 HydrophobicContact CG1-CG1 4.23Å; V58-V106 WeakPolarHBondContact CG1-O 3.36Å; V58-V106 HydrophobicContact CG2-CB 4.49Å; V58-V106 HydrophobicContact CG2-CG1 4.19Å; V58-V106 HydrophobicContact CG2-CG2 4.34Å; V58-V110 HydrophobicContact CG1-CG2 3.68Å
59F90.1Very high86.8Confident23 Ų2333.9 Ų33.910%0.10120%0.202CC..Hα-helixtrans-54.4-47.5172.4167.4-112.6000111.4I55 A61 S62 N63 G109 A112 A113I55-F59 WeakPolarHBondContact O-CB 3.37Å; I55-F59 PolarHBondContact O-N 3.39Å; F59-A61 PolarHBondContact O-N 2.79Å; F59-S62 PolarHBondContact O-N 2.75Å; F59-N63 WeakPolarHBondContact CE2-OD1 3.47Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.49Å; F59-N63 VanDerWaalsContact O-CG 3.31Å; F59-N63 PolarHBondContact O-N 3.28Å; F59-N63 VanDerWaalsContact O-N 3.13Å; F59-N63 PolarHBondContact O-ND2 2.84Å; F59-G109 VanDerWaalsContact CA-O 3.3Å; F59-G109 WeakPolarHBondContact CA-O 3.29Å; F59-A112 HydrophobicContact CB-CB 4.45Å; F59-A112 HydrophobicContact CD2-CB 3.59Å; F59-A112 HydrophobicContact CE2-CB 4.2Å; F59-A112 HydrophobicContact CG-CB 4.29Å; F59-A113 HydrophobicContact CD2-CB 3.95Å; F59-A113 HydrophobicContact CE2-CB 4.28Å
60S87.3Confident86Confident2 Ų233.8 Ų33.81%0.01420%0.202CC..Hα-helixtrans-58-49.8178.3-161.60000112.3Y56 G57 V58 S62 F399 S402 I403Y56-S60 WeakPolarHBondContact O-CB 3.37Å; Y56-S60 PolarHBondContact O-N 3.2Å; G57-S60 WeakPolarHBondContact O-CB 3.38Å; G57-S60 PolarHBondContact O-N 2.76Å; V58-S60 VanDerWaalsContact C-N 3.29Å; V58-S60 PolarHBondContact O-N 2.97Å; S60-S62 PolarHBondContact O-N 3.2Å; S60-F399 WeakPolarHBondContact OG-CD2 3.38Å; S60-F399 WeakPolarHBondContact OG-CE2 3.39Å; S60-F399 PolarHBondContact OG-O 2.78Å; S60-S402 WeakPolarHBondContact CB-OG 3.43Å; S60-S402 PolarHBondContact OG-OG 3.23Å; S60-I403 WeakPolarHBondContact OG-CG1 3.39Å
61A87.6Confident85.1Confident61 Ų6135.5 Ų35.550%0.50421%0.213SC..Hα-helixtrans-65.5-37.5178.700000112.9G57 V58 F59 N63G57-A61 PolarHBondContact O-N 3.26Å; V58-A61 PolarHBondContact O-N 3.5Å; F59-A61 PolarHBondContact O-N 2.79Å; A61-N63 VanDerWaalsContact C-N 3.35Å; A61-N63 PolarHBondContact O-N 3.37Å
62S87.8Confident84.4Confident19 Ų1942.5 Ų42.513%0.13325%0.249CC..Hα-helixtrans-76.6-19.8-174.3-570000113.5V58 F59 S60 L64 M65 A66V58-S62 WeakPolarHBondContact O-CB 3.45Å; V58-S62 PolarHBondContact O-N 3.46Å; V58-S62 PolarHBondContact O-OG 3.21Å; F59-S62 PolarHBondContact O-N 2.75Å; S60-S62 PolarHBondContact O-N 3.2Å; S62-L64 PolarHBondContact O-N 3.03Å; S62-L64 VanDerWaalsContact O-N 3.08Å; S62-M65 PolarHBondContact O-N 3Å; S62-A66 PolarHBondContact O-N 2.92Å; S62-A66 VanDerWaalsContact O-N 3.07Å
63N79.8Confident83.9Confident37 Ų3745.5 Ų45.520%0.19827%0.265CS..THydrogen-bonded Turntrans-57.9-23177.1-80.4-42.6000113.2F59 A61 P67 A113F59-N63 WeakPolarHBondContact CE2-OD1 3.47Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.49Å; F59-N63 VanDerWaalsContact O-CG 3.31Å; F59-N63 PolarHBondContact O-N 3.28Å; F59-N63 VanDerWaalsContact O-N 3.13Å; F59-N63 PolarHBondContact O-ND2 2.84Å; A61-N63 VanDerWaalsContact C-N 3.35Å; A61-N63 PolarHBondContact O-N 3.37Å; N63-P67 WeakPolarHBondContact O-CD 3.49Å; N63-A113 WeakPolarHBondContact OD1-CB 3.43Å
64L74.4Confident83.2Confident79 Ų7946 Ų4641%0.41427%0.271SS..THydrogen-bonded Turntrans-70.5-32.5176.2-57.6-174.9000113.1S62 F233S62-L64 PolarHBondContact O-N 3.03Å; S62-L64 VanDerWaalsContact O-N 3.08Å; L64-F233 HydrophobicContact CD1-CD2 3.82Å; L64-F233 HydrophobicContact CD1-CE2 3.37Å; L64-F233 HydrophobicContact CD1-CZ 4.03Å; L64-F233 HydrophobicContact CD2-CD2 3.29Å; L64-F233 HydrophobicContact CD2-CE2 3.59Å; L64-F233 HydrophobicContact CD2-CG 4.36Å; L64-F233 HydrophobicContact CG-CD2 4.1Å; L64-F233 HydrophobicContact CG-CE2 4.09Å
65M79.4Confident82.6Confident135 Ų13545.3 Ų45.367%0.66527%0.27SS*.THydrogen-bonded Turntrans-97.9-19.5-176.4-61.6-179.168.200112.6S62 S68 V69S62-M65 PolarHBondContact O-N 3Å; M65-S68 PolarHBondContact O-N 3.42Å; M65-V69 WeakPolarHBondContact O-CG2 3.25Å; M65-V69 PolarHBondContact O-N 3.21Å
66A77.3Confident82.2Confident1 Ų146.8 Ų46.81%0.00828%0.276CS..Hα-helixtrans-57.4-43-173.800000114.5S62 S68 V69 V70 A113 V114 T117S62-A66 PolarHBondContact O-N 2.92Å; S62-A66 VanDerWaalsContact O-N 3.07Å; A66-S68 PolarHBondContact O-N 2.9Å; A66-V69 PolarHBondContact O-N 3.39Å; A66-V70 WeakPolarHBondContact O-CG2 3.41Å; A66-V70 PolarHBondContact O-N 3.26Å; A66-A113 VanDerWaalsContact CB-C 3.49Å; A66-A113 HydrophobicContact CB-CB 3.89Å; A66-A113 WeakPolarHBondContact CB-O 3.4Å; A66-V114 HydrophobicContact CB-CG2 4.29Å; A66-T117 HydrophobicContact CB-CG2 4.49Å; A66-T117 WeakPolarHBondContact CB-OG1 3.48Å
67P74.5Confident81.9Confident55 Ų5548 Ų4836%0.35729%0.288SS..Hα-helixtrans-57.5-46.4177-26.235.6000112.7N63 V69 V70 T71 T117N63-P67 WeakPolarHBondContact O-CD 3.49Å; P67-V69 VanDerWaalsContact C-N 3.31Å; P67-V69 PolarHBondContact O-N 2.74Å; P67-V70 PolarHBondContact O-N 3.1Å; P67-T71 PolarHBondContact O-N 3.31Å; P67-T71 PolarHBondContact O-OG1 3.45Å; P67-T117 HydrophobicContact CB-CG2 4.31Å; P67-T117 HydrophobicContact CG-CG2 4.08Å
68S74.7Confident81.7Confident36 Ų3646.7 Ų46.725%0.25227%0.274SS..Hα-helixtrans-60.3-40.7-179.9-500000112.2M65 A66 T71 L72 A229M65-S68 PolarHBondContact O-N 3.42Å; A66-S68 PolarHBondContact O-N 2.9Å; S68-T71 WeakPolarHBondContact CA-OG1 3.46Å; S68-T71 PolarHBondContact O-OG1 2.99Å; S68-L72 WeakPolarHBondContact O-CB 3.46Å; S68-L72 PolarHBondContact O-N 3.35Å; S68-L72 VanDerWaalsContact O-N 3.15Å; S68-A229 WeakPolarHBondContact OG-CB 3.26Å
69V78Confident81.6Confident49 Ų4945.1 Ų45.130%0.29726%0.264SS..Hα-helixtrans-65.1-46.4176.6176.60000110.7M65 A66 P67 T71 L72 I73 V114M65-V69 WeakPolarHBondContact O-CG2 3.25Å; M65-V69 PolarHBondContact O-N 3.21Å; A66-V69 PolarHBondContact O-N 3.39Å; P67-V69 VanDerWaalsContact C-N 3.31Å; P67-V69 PolarHBondContact O-N 2.74Å; V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 3.36Å; V69-L72 PolarHBondContact O-N 3.41Å; V69-I73 HydrophobicContact CG1-CD1 3.68Å; V69-I73 HydrophobicContact CG1-CG1 4.42Å; V69-I73 WeakPolarHBondContact O-CB 3.46Å; V69-I73 PolarHBondContact O-N 3.44Å; V69-V114 HydrophobicContact CB-CG2 4.33Å; V69-V114 HydrophobicContact CG1-CG1 4.23Å; V69-V114 HydrophobicContact CG1-CG2 4.1Å
70V76.1Confident81.7Confident2 Ų245.5 Ų45.51%0.01227%0.266CS..Hα-helixtrans-63.9-38.3-178.3169.70000112A66 P67 G74 P75 V114 T117 A118A66-V70 WeakPolarHBondContact O-CG2 3.41Å; A66-V70 PolarHBondContact O-N 3.26Å; P67-V70 PolarHBondContact O-N 3.1Å; V70-G74 CarbonylContact O-C 3.45Å; V70-G74 VanDerWaalsContact O-C 3.27Å; V70-G74 WeakPolarHBondContact O-CA 3.41Å; V70-G74 PolarHBondContact O-N 2.89Å; V70-P75 HydrophobicContact CG1-CB 4.07Å; V70-V114 HydrophobicContact CG2-CG1 4Å; V70-T117 HydrophobicContact CB-CG2 4.32Å; V70-T117 HydrophobicContact CG2-CG2 3.97Å; V70-A118 HydrophobicContact CG1-CB 4.09Å; V70-A118 HydrophobicContact CG2-CB 3.9Å
71T73.1Confident82Confident72 Ų7249.3 Ų49.344%0.44229%0.286SS..Hα-helixtrans-72.5-32.9177.644.10000113P67 S68 V69 L225P67-T71 PolarHBondContact O-N 3.31Å; P67-T71 PolarHBondContact O-OG1 3.45Å; S68-T71 WeakPolarHBondContact CA-OG1 3.46Å; S68-T71 PolarHBondContact O-OG1 2.99Å; V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 3.36Å; T71-L225 HydrophobicContact CG2-CD1 3.79Å; T71-L225 WeakPolarHBondContact OG1-CD1 3.43Å; T71-L225 WeakPolarHBondContact OG1-CD2 3.46Å
72L77.4Confident82.3Confident146 Ų14646.6 Ų46.676%0.76426%0.263SS*.Hα-helixtrans-75-47.3178.3-178.466.6000112.1S68 V69S68-L72 WeakPolarHBondContact O-CB 3.46Å; S68-L72 PolarHBondContact O-N 3.35Å; S68-L72 VanDerWaalsContact O-N 3.15Å; V69-L72 PolarHBondContact O-N 3.41Å
73I81.9Confident82.6Confident75 Ų7545.7 Ų45.739%0.38526%0.257SS..Hα-helixtrans-88.1-24-173.7-58.9179.9000111.3V69 V77 L81V69-I73 HydrophobicContact CG1-CD1 3.68Å; V69-I73 HydrophobicContact CG1-CG1 4.42Å; V69-I73 WeakPolarHBondContact O-CB 3.46Å; V69-I73 PolarHBondContact O-N 3.44Å; I73-V77 HydrophobicContact CG2-CB 3.85Å; I73-V77 HydrophobicContact CG2-CG1 3.57Å; I73-L81 HydrophobicContact CG2-CD1 4.4Å
74G78.8Confident83.3Confident23 Ų2347.4 Ų47.424%0.23727%0.265CS..  trans89.4146.9-173.100000112.2V70 Q76 S78V70-G74 CarbonylContact O-C 3.45Å; V70-G74 VanDerWaalsContact O-C 3.27Å; V70-G74 WeakPolarHBondContact O-CA 3.41Å; V70-G74 PolarHBondContact O-N 2.89Å; G74-Q76 PolarHBondContact O-N 3.01Å; G74-S78 VanDerWaalsContact O-CB 3.29Å; G74-S78 WeakPolarHBondContact O-CB 3.39Å; G74-S78 PolarHBondContact O-N 2.92Å; G74-S78 PolarHBondContact O-OG 3.33Å
75P81.6Confident84.3Confident32 Ų3246.9 Ų46.921%0.20826%0.262CS..Hα-helixtrans-65.3-36.7-171.219.7-29.6000113.9V70 S78 M79 A118 V122V70-P75 HydrophobicContact CG1-CB 4.07Å; P75-S78 PolarHBondContact O-N 2.8Å; P75-M79 WeakPolarHBondContact O-CG 3.15Å; P75-M79 PolarHBondContact O-N 3.39Å; P75-A118 HydrophobicContact CB-CB 4.09Å; P75-V122 HydrophobicContact CB-CG2 3.87Å; P75-V122 HydrophobicContact CG-CG2 4.33Å
76Q85.8Confident85Confident36 Ų3640.6 Ų40.617%0.16823%0.231CC..Hα-helixtrans-65.5-47.4-178.7-171174.81200112.7G74 S78 M79 F80 F187 F188 I190G74-Q76 PolarHBondContact O-N 3.01Å; Q76-S78 VanDerWaalsContact C-N 3.35Å; Q76-M79 PolarHBondContact O-N 2.74Å; Q76-F80 PolarHBondContact O-N 2.93Å; Q76-F80 VanDerWaalsContact O-N 3.13Å; Q76-F187 WeakPolarHBondContact CG-O 3.48Å; Q76-F187 PolarHBondContact NE2-O 3.33Å; Q76-F188 VanDerWaalsContact NE2-CA 3.32Å; Q76-F188 PolarHBondContact NE2-O 3.46Å; Q76-F188 VanDerWaalsContact NE2-O 3.16Å; Q76-I190 PolarHBondContact NE2-O 2.84Å
77V87.8Confident85.8Confident63 Ų6340.7 Ų40.738%0.38223%0.232SC..Hα-helixtrans-69.9-36.8178.3177.70000110.3I73 M79 F80 L81I73-V77 HydrophobicContact CG2-CB 3.85Å; I73-V77 HydrophobicContact CG2-CG1 3.57Å; V77-M79 PolarHBondContact O-N 3.3Å; V77-F80 PolarHBondContact O-N 3.11Å; V77-L81 HydrophobicContact CG1-CD1 3.92Å; V77-L81 HydrophobicContact CG1-CG 4.12Å; V77-L81 WeakPolarHBondContact O-CB 3.24Å; V77-L81 WeakPolarHBondContact O-CG 3.41Å; V77-L81 PolarHBondContact O-N 3.27Å
78S89Confident86.7Confident2 Ų239.7 Ų39.71%0.01423%0.231CC..Hα-helixtrans-59-44.5174.6-61.90000112.4G74 P75 Q76 S82G74-S78 VanDerWaalsContact O-CB 3.29Å; G74-S78 WeakPolarHBondContact O-CB 3.39Å; G74-S78 PolarHBondContact O-N 2.92Å; G74-S78 PolarHBondContact O-OG 3.33Å; P75-S78 PolarHBondContact O-N 2.8Å; Q76-S78 VanDerWaalsContact C-N 3.35Å; S78-S82 VanDerWaalsContact O-CB 3.31Å; S78-S82 WeakPolarHBondContact O-CB 3.11Å; S78-S82 PolarHBondContact O-N 2.9Å; S78-S82 PolarHBondContact O-OG 3.26Å
79M90.8Very high87.6Confident0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-65.2-41.4175.1-69.3-176.5-65.900112.2L14 F18 P75 Q76 V77 S82 G83 L115 A118 V122 F187 I190L14-M79 HydrophobicContact CD1-CE 4.21Å; L14-M79 HydrophobicContact CD1-SD 3.5Å; L14-M79 WeakPolarHBondContact CD1-SD 3.22Å; F18-M79 HydrophobicContact CE2-SD 4.2Å; P75-M79 WeakPolarHBondContact O-CG 3.15Å; P75-M79 PolarHBondContact O-N 3.39Å; Q76-M79 PolarHBondContact O-N 2.74Å; V77-M79 PolarHBondContact O-N 3.3Å; M79-S82 PolarHBondContact O-N 3.42Å; M79-G83 PolarHBondContact O-N 3.31Å; M79-L115 HydrophobicContact CB-CD1 4.01Å; M79-L115 HydrophobicContact CG-CD1 4.04Å; M79-A118 HydrophobicContact CG-CB 3.54Å; M79-A118 HydrophobicContact SD-CB 4.45Å; M79-V122 HydrophobicContact CE-CG2 3.65Å; M79-V122 HydrophobicContact SD-CG2 4.37Å; M79-F187 HydrophobicContact CB-CB 4.46Å; M79-F187 HydrophobicContact CB-CD1 4.49Å; M79-F187 HydrophobicContact CB-CD2 3.78Å; M79-F187 HydrophobicContact CB-CE2 4.08Å; M79-F187 HydrophobicContact CB-CG 4.01Å; M79-F187 HydrophobicContact SD-CD1 4.4Å; M79-F187 HydrophobicContact SD-CE1 4.5Å; M79-I190 HydrophobicContact CE-CD1 3.7Å
80F93.1Very high88.3Confident31 Ų3135.7 Ų35.714%0.13621%0.205CC..Hα-helixtrans-64-50.1177.9176.4-105.3000112.5Q76 V77 S82 G83 I84 C184 F185 F188Q76-F80 PolarHBondContact O-N 2.93Å; Q76-F80 VanDerWaalsContact O-N 3.13Å; V77-F80 PolarHBondContact O-N 3.11Å; F80-S82 VanDerWaalsContact C-N 3.28Å; F80-S82 PolarHBondContact O-N 3.49Å; F80-G83 PolarHBondContact O-N 3.4Å; F80-G83 VanDerWaalsContact O-N 3.13Å; F80-I84 HydrophobicContact CD1-CD1 4.01Å; F80-I84 HydrophobicContact CE1-CD1 3.38Å; F80-I84 HydrophobicContact CE1-CG1 4.33Å; F80-I84 HydrophobicContact CE2-CD1 4.23Å; F80-I84 HydrophobicContact CE2-CG1 4.41Å; F80-I84 HydrophobicContact CZ-CD1 3.51Å; F80-I84 HydrophobicContact CZ-CG1 4.15Å; F80-I84 PolarHBondContact O-N 3.05Å; F80-C184 WeakPolarHBondContact CD2-SG 3.14Å; F80-C184 VanDerWaalsContact CE2-SG 3.55Å; F80-C184 PolarHBondContact O-SG 3.47Å; F80-F185 HydrophobicContact CE2-CD1 4.04Å; F80-F185 AromaticContact CE2-CE1 3.95Å; F80-F185 HydrophobicContact CE2-CE1 3.95Å; F80-F185 HydrophobicContact CE2-CZ 4.38Å; F80-F185 HydrophobicContact CZ-CE1 4.17Å; F80-F188 HydrophobicContact CB-CZ 4.21Å; F80-F188 HydrophobicContact CD1-CE2 4.02Å; F80-F188 AromaticContact CD1-CZ 3.56Å; F80-F188 HydrophobicContact CD1-CZ 3.56Å; F80-F188 HydrophobicContact CD2-CD2 4.01Å; F80-F188 AromaticContact CD2-CE2 3.26Å; F80-F188 HydrophobicContact CD2-CE2 3.26Å; F80-F188 AromaticContact CD2-CZ 3.63Å; F80-F188 HydrophobicContact CD2-CZ 3.63Å; F80-F188 AromaticContact CE1-CE2 3.94Å; F80-F188 HydrophobicContact CE1-CE2 3.94Å; F80-F188 AromaticContact CE1-CZ 3.71Å; F80-F188 HydrophobicContact CE1-CZ 3.71Å; F80-F188 HydrophobicContact CE2-CD2 4.12Å; F80-F188 AromaticContact CE2-CE2 3.22Å; F80-F188 HydrophobicContact CE2-CE2 3.22Å; F80-F188 AromaticContact CE2-CZ 3.83Å; F80-F188 HydrophobicContact CE2-CZ 3.83Å; F80-F188 HydrophobicContact CG-CE1 4.33Å; F80-F188 AromaticContact CG-CE2 3.69Å; F80-F188 HydrophobicContact CG-CE2 3.69Å; F80-F188 AromaticContact CG-CZ 3.5Å; F80-F188 HydrophobicContact CG-CZ 3.5Å; F80-F188 VanDerWaalsContact CG-CZ 3.5Å; F80-F188 AromaticContact CZ-CE2 3.56Å; F80-F188 HydrophobicContact CZ-CE2 3.56Å; F80-F188 AromaticContact CZ-CZ 3.84Å; F80-F188 HydrophobicContact CZ-CZ 3.84Å
81L93.9Very high89Confident81 Ų8137.1 Ų37.142%0.42422%0.217SC..Hα-helixtrans-60.8-40.3177.7-70176.7000111.5I73 V77 I84 L85I73-L81 HydrophobicContact CG2-CD1 4.4Å; V77-L81 HydrophobicContact CG1-CD1 3.92Å; V77-L81 HydrophobicContact CG1-CG 4.12Å; V77-L81 WeakPolarHBondContact O-CB 3.24Å; V77-L81 WeakPolarHBondContact O-CG 3.41Å; V77-L81 PolarHBondContact O-N 3.27Å; L81-I84 PolarHBondContact O-N 3.17Å; L81-L85 PolarHBondContact O-N 3.22Å
82S93.5Very high89.8Confident4 Ų436.8 Ų36.83%0.02821%0.212CC..Hα-helixtrans-63.4-44.4174.6-55.30000111.2S78 M79 F80 I84 L85 Y86 A111S78-S82 VanDerWaalsContact O-CB 3.31Å; S78-S82 WeakPolarHBondContact O-CB 3.11Å; S78-S82 PolarHBondContact O-N 2.9Å; S78-S82 PolarHBondContact O-OG 3.26Å; M79-S82 PolarHBondContact O-N 3.42Å; F80-S82 VanDerWaalsContact C-N 3.28Å; F80-S82 PolarHBondContact O-N 3.49Å; S82-I84 VanDerWaalsContact C-N 3.29Å; S82-I84 PolarHBondContact O-N 2.89Å; S82-L85 WeakPolarHBondContact O-CB 3.29Å; S82-L85 PolarHBondContact O-N 2.67Å; S82-Y86 WeakPolarHBondContact O-CD2 3.45Å; S82-Y86 PolarHBondContact O-N 2.94Å; S82-A111 WeakPolarHBondContact CB-O 3.37Å; S82-A111 PolarHBondContact OG-O 3.32Å
83G93Very high90.2Very high0 Ų029.9 Ų29.90%018%0.176CC..Hα-helixtrans-60.4-33.3177.100000114.2M79 F80 S87 C184M79-G83 PolarHBondContact O-N 3.31Å; F80-G83 PolarHBondContact O-N 3.4Å; F80-G83 VanDerWaalsContact O-N 3.13Å; G83-S87 WeakPolarHBondContact O-CB 3.48Å; G83-S87 PolarHBondContact O-N 3.37Å; G83-S87 PolarHBondContact O-OG 3.4Å; G83-C184 VanDerWaalsContact C-SG 3.59Å
84I94.9Very high90.4Very high74 Ų7427.7 Ų27.738%0.37916%0.164SC..Hα-helixtrans-64.1-45.3170.9-68.6170.7000110.6F80 L81 S82 S87 G88F80-I84 HydrophobicContact CD1-CD1 4.01Å; F80-I84 HydrophobicContact CE1-CD1 3.38Å; F80-I84 HydrophobicContact CE1-CG1 4.33Å; F80-I84 HydrophobicContact CE2-CD1 4.23Å; F80-I84 HydrophobicContact CE2-CG1 4.41Å; F80-I84 HydrophobicContact CZ-CD1 3.51Å; F80-I84 HydrophobicContact CZ-CG1 4.15Å; F80-I84 PolarHBondContact O-N 3.05Å; L81-I84 PolarHBondContact O-N 3.17Å; S82-I84 VanDerWaalsContact C-N 3.29Å; S82-I84 PolarHBondContact O-N 2.89Å; I84-S87 PolarHBondContact O-N 3.37Å; I84-G88 PolarHBondContact O-N 3.16Å
85L95.4Very high90.7Very high67 Ų6732.9 Ų32.935%0.35118%0.182SC..Hα-helixtrans-63.9-41.7179.3-67.9175.3000111.9L81 S82 G88 Y89 L107 V108 A111L81-L85 PolarHBondContact O-N 3.22Å; S82-L85 WeakPolarHBondContact O-CB 3.29Å; S82-L85 PolarHBondContact O-N 2.67Å; L85-G88 PolarHBondContact O-N 3.18Å; L85-Y89 PolarHBondContact O-N 3.48Å; L85-L107 HydrophobicContact CD2-CB 4.41Å; L85-V108 WeakPolarHBondContact O-CG2 3.37Å; L85-A111 HydrophobicContact CB-CB 3.83Å; L85-A111 HydrophobicContact CD1-CB 3.75Å; L85-A111 HydrophobicContact CG-CB 4.43Å
86Y94.3Very high90.6Very high4 Ų431.9 Ų31.92%0.01618%0.176CC..Hα-helixtrans-58.4-47.6171.6-89.7-89.9000111.9M21 F25 S82 G88 Y89 I90 V108 A111 A112 L115M21-Y86 HydrophobicContact SD-CD2 4.36Å; M21-Y86 HydrophobicContact SD-CG 4.3Å; F25-Y86 HydrophobicContact CB-CD1 4.02Å; F25-Y86 HydrophobicContact CB-CE1 4.24Å; F25-Y86 HydrophobicContact CD1-CD1 4.48Å; F25-Y86 AromaticContact CD1-CE1 3.9Å; F25-Y86 HydrophobicContact CD1-CE1 3.9Å; F25-Y86 AromaticContact CD2-CD1 3.48Å; F25-Y86 HydrophobicContact CD2-CD1 3.48Å; F25-Y86 VanDerWaalsContact CD2-CD1 3.48Å; F25-Y86 AromaticContact CD2-CE1 3.51Å; F25-Y86 HydrophobicContact CD2-CE1 3.51Å; F25-Y86 HydrophobicContact CE1-CE1 4.11Å; F25-Y86 HydrophobicContact CE2-CD1 4.05Å; F25-Y86 AromaticContact CE2-CE1 3.74Å; F25-Y86 HydrophobicContact CE2-CE1 3.74Å; F25-Y86 AromaticContact CG-CD1 3.73Å; F25-Y86 HydrophobicContact CG-CD1 3.73Å; F25-Y86 AromaticContact CG-CE1 3.59Å; F25-Y86 HydrophobicContact CG-CE1 3.59Å; F25-Y86 HydrophobicContact CZ-CE1 4.03Å; S82-Y86 WeakPolarHBondContact O-CD2 3.45Å; S82-Y86 PolarHBondContact O-N 2.94Å; Y86-G88 VanDerWaalsContact C-N 3.32Å; Y86-G88 PolarHBondContact O-N 3.12Å; Y86-Y89 PolarHBondContact O-N 3.44Å; Y86-I90 WeakPolarHBondContact O-CD1 3.49Å; Y86-I90 WeakPolarHBondContact O-CG1 3.32Å; Y86-I90 PolarHBondContact O-N 2.87Å; Y86-I90 VanDerWaalsContact O-N 3.09Å; Y86-V108 HydrophobicContact CD1-CG1 4.15Å; Y86-V108 HydrophobicContact CE1-CG1 3.9Å; Y86-V108 HydrophobicContact CE2-CG1 4.43Å; Y86-A111 HydrophobicContact CD2-CB 4.26Å; Y86-A111 HydrophobicContact CE2-CB 4.19Å; Y86-A112 HydrophobicContact CE2-CB 4.36Å; Y86-A112 VanDerWaalsContact OH-CA 3.32Å; Y86-A112 WeakPolarHBondContact OH-CA 3.39Å; Y86-A112 WeakPolarHBondContact OH-CB 3.35Å; Y86-L115 HydrophobicContact CD2-CD2 4.06Å; Y86-L115 HydrophobicContact CE2-CB 4.49Å; Y86-L115 HydrophobicContact CE2-CD2 3.52Å
87S94.2Very high90.5Very high3 Ų335.2 Ų35.22%0.02119%0.194CC..Hα-helixtrans-63.8-38.3178.5-54.30000111.9G83 I84 I90 A91 S180G83-S87 WeakPolarHBondContact O-CB 3.48Å; G83-S87 PolarHBondContact O-N 3.37Å; G83-S87 PolarHBondContact O-OG 3.4Å; I84-S87 PolarHBondContact O-N 3.37Å; S87-I90 PolarHBondContact O-N 3.5Å; S87-A91 WeakPolarHBondContact O-CB 3.28Å; S87-A91 PolarHBondContact O-N 3.11Å; S87-S180 WeakPolarHBondContact OG-CB 3.27Å; S87-S180 PolarHBondContact OG-OG 3.45Å
88G93.4Very high90.2Very high33 Ų3334.1 Ų34.134%0.3419%0.187SC..Hα-helixtrans-63.4-41.1175.400000112.6I84 L85 Y86 A91 M92I84-G88 PolarHBondContact O-N 3.16Å; L85-G88 PolarHBondContact O-N 3.18Å; Y86-G88 VanDerWaalsContact C-N 3.32Å; Y86-G88 PolarHBondContact O-N 3.12Å; G88-A91 PolarHBondContact O-N 3.13Å; G88-M92 WeakPolarHBondContact O-CG 3.43Å; G88-M92 PolarHBondContact O-N 3.34Å; G88-M92 VanDerWaalsContact O-N 3.13Å
89Y93.5Very high90Very high1 Ų144 Ų440%0.00423%0.225CC..Hα-helixtrans-62.5-44.6173.8171.6-99.2000112.5F25 E32 S51 I55 L85 Y86 A91 M92 F93 F101 A104 V108F25-Y89 HydrophobicContact CD2-CD1 4.28Å; F25-Y89 HydrophobicContact CD2-CE1 4.33Å; F25-Y89 HydrophobicContact CE2-CD1 4.2Å; F25-Y89 HydrophobicContact CE2-CE1 4.02Å; E32-Y89 PolarHBondContact OE1-OH 3.41Å; E32-Y89 PolarHBondContact OE2-OH 3Å; S51-Y89 PolarHBondContact OG-OH 3.45Å; I55-Y89 HydrophobicContact CD1-CE1 4.26Å; I55-Y89 HydrophobicContact CD1-CE2 3.96Å; L85-Y89 PolarHBondContact O-N 3.48Å; Y86-Y89 PolarHBondContact O-N 3.44Å; Y89-A91 VanDerWaalsContact C-N 3.28Å; Y89-A91 PolarHBondContact O-N 3.21Å; Y89-M92 WeakPolarHBondContact O-CB 3.43Å; Y89-M92 PolarHBondContact O-N 2.95Å; Y89-M92 VanDerWaalsContact O-N 3.13Å; Y89-F93 HydrophobicContact CD1-CE2 4.29Å; Y89-F93 AromaticContact CE1-CE2 3.78Å; Y89-F93 HydrophobicContact CE1-CE2 3.78Å; Y89-F93 HydrophobicContact CE1-CZ 4.36Å; Y89-F93 HydrophobicContact CE2-CE2 4.24Å; Y89-F93 AromaticContact CZ-CE2 3.75Å; Y89-F93 WeakPolarHBondContact O-CD2 3Å; Y89-F101 HydrophobicContact CE2-CE2 4.06Å; Y89-A104 HydrophobicContact CD2-CB 4.06Å; Y89-V108 HydrophobicContact CD1-CG2 4.47Å; Y89-V108 HydrophobicContact CD2-CG2 4.26Å; Y89-V108 HydrophobicContact CG-CG2 3.8Å
90I92Very high89.8Confident0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-61.8-39.8175.9-62.9155000110.6A24 Y86 S87 M92 F93 F173 L176A24-I90 HydrophobicContact CB-CD1 3.47Å; A24-I90 VanDerWaalsContact CB-CD1 3.47Å; A24-I90 HydrophobicContact CB-CG1 4.48Å; Y86-I90 WeakPolarHBondContact O-CD1 3.49Å; Y86-I90 WeakPolarHBondContact O-CG1 3.32Å; Y86-I90 PolarHBondContact O-N 2.87Å; Y86-I90 VanDerWaalsContact O-N 3.09Å; S87-I90 PolarHBondContact O-N 3.5Å; I90-M92 VanDerWaalsContact C-N 3.26Å; I90-M92 PolarHBondContact O-N 2.85Å; I90-F93 PolarHBondContact O-N 3Å; I90-F173 HydrophobicContact CG2-CD1 4.05Å; I90-L176 HydrophobicContact CG2-CB 3.97Å
91A91.9Very high89.6Confident32 Ų3244.3 Ų44.326%0.26423%0.23SC..Hα-helixtrans-64.9-26.1177.400000113.4S87 G88 Y89 F93 I94 T177S87-A91 WeakPolarHBondContact O-CB 3.28Å; S87-A91 PolarHBondContact O-N 3.11Å; G88-A91 PolarHBondContact O-N 3.13Å; Y89-A91 VanDerWaalsContact C-N 3.28Å; Y89-A91 PolarHBondContact O-N 3.21Å; A91-F93 PolarHBondContact O-N 3.3Å; A91-I94 HydrophobicContact CB-CD1 4.28Å; A91-I94 VanDerWaalsContact O-CB 3.28Å; A91-I94 WeakPolarHBondContact O-CB 3.28Å; A91-I94 VanDerWaalsContact O-CG1 3.3Å; A91-I94 WeakPolarHBondContact O-CG1 3.32Å; A91-I94 PolarHBondContact O-N 3.3Å; A91-T177 HydrophobicContact CB-CG2 4.02Å
92M88.8Confident89.5Confident66 Ų6643 Ų4333%0.32522%0.22SC..Hα-helixtrans-61.5-25.4177.6-71.4-67.716900112.8G88 Y89 I90 I94 H95 P96 A104G88-M92 WeakPolarHBondContact O-CG 3.43Å; G88-M92 PolarHBondContact O-N 3.34Å; G88-M92 VanDerWaalsContact O-N 3.13Å; Y89-M92 WeakPolarHBondContact O-CB 3.43Å; Y89-M92 PolarHBondContact O-N 2.95Å; Y89-M92 VanDerWaalsContact O-N 3.13Å; I90-M92 VanDerWaalsContact C-N 3.26Å; I90-M92 PolarHBondContact O-N 2.85Å; M92-I94 PolarHBondContact O-N 3.29Å; M92-H95 CarbonylContact O-C 3.26Å; M92-H95 PolarHBondContact O-N 3.23Å; M92-P96 WeakPolarHBondContact O-CA 3.5Å; M92-A104 HydrophobicContact CG-CB 4.03Å
93F86.2Confident89.5Confident1 Ų145.4 Ų45.40%0.00424%0.235CC..THydrogen-bonded Turntrans-73.2-12.2177.2-70.2-91.2000113.9C28 E32 I36 Y89 I90 A91 F101 R169 F173C28-F93 WeakPolarHBondContact SG-CE2 3.35Å; E32-F93 HydrophobicContact CG-CE1 3.66Å; E32-F93 HydrophobicContact CG-CZ 3.58Å; I36-F93 HydrophobicContact CD1-CD1 4.09Å; I36-F93 HydrophobicContact CD1-CE1 3.87Å; I36-F93 HydrophobicContact CG1-CE1 3.98Å; Y89-F93 HydrophobicContact CD1-CE2 4.29Å; Y89-F93 AromaticContact CE1-CE2 3.78Å; Y89-F93 HydrophobicContact CE1-CE2 3.78Å; Y89-F93 HydrophobicContact CE1-CZ 4.36Å; Y89-F93 HydrophobicContact CE2-CE2 4.24Å; Y89-F93 AromaticContact CZ-CE2 3.75Å; Y89-F93 WeakPolarHBondContact O-CD2 3Å; I90-F93 PolarHBondContact O-N 3Å; A91-F93 PolarHBondContact O-N 3.3Å; F93-F101 AromaticContact CE1-CE2 3.82Å; F93-F101 HydrophobicContact CE1-CE2 3.82Å; F93-F101 HydrophobicContact CE1-CZ 4.14Å; F93-F101 AromaticContact CE2-CE2 3.88Å; F93-F101 HydrophobicContact CE2-CE2 3.88Å; F93-F101 HydrophobicContact CZ-CD2 4.44Å; F93-F101 AromaticContact CZ-CE2 3.36Å; F93-F101 HydrophobicContact CZ-CE2 3.36Å; F93-F101 AromaticContact CZ-CZ 3.88Å; F93-F101 HydrophobicContact CZ-CZ 3.88Å; F93-R169 PolarHBondContact O-NE 2.96Å; F93-F173 HydrophobicContact CB-CB 4.29Å; F93-F173 HydrophobicContact CB-CD1 3.38Å; F93-F173 HydrophobicContact CB-CD2 3.72Å; F93-F173 HydrophobicContact CB-CE1 3.46Å; F93-F173 VanDerWaalsContact CB-CE1 3.46Å; F93-F173 HydrophobicContact CB-CE2 3.82Å; F93-F173 HydrophobicContact CB-CG 3.51Å; F93-F173 HydrophobicContact CB-CZ 3.68Å; F93-F173 HydrophobicContact CD1-CE1 4.09Å; F93-F173 HydrophobicContact CD1-CE2 4.49Å; F93-F173 AromaticContact CD1-CZ 3.89Å; F93-F173 HydrophobicContact CD1-CZ 3.89Å; F93-F173 HydrophobicContact CD2-CD1 4.24Å; F93-F173 AromaticContact CD2-CE1 3.9Å; F93-F173 HydrophobicContact CD2-CE1 3.9Å; F93-F173 AromaticContact CG-CD1 3.94Å; F93-F173 HydrophobicContact CG-CD1 3.94Å; F93-F173 AromaticContact CG-CE1 3.54Å; F93-F173 HydrophobicContact CG-CE1 3.54Å; F93-F173 HydrophobicContact CG-CE2 4.38Å; F93-F173 HydrophobicContact CG-CG 4.49Å; F93-F173 AromaticContact CG-CZ 3.79Å; F93-F173 HydrophobicContact CG-CZ 3.79Å
94I87.4Confident89.5Confident29 Ų2945.9 Ų45.915%0.14924%0.238CC..THydrogen-bonded Turntrans-68.1-44.4172.9-57.4170.4000109.4A91 M92 Q170 F173 I174A91-I94 HydrophobicContact CB-CD1 4.28Å; A91-I94 VanDerWaalsContact O-CB 3.28Å; A91-I94 WeakPolarHBondContact O-CB 3.28Å; A91-I94 VanDerWaalsContact O-CG1 3.3Å; A91-I94 WeakPolarHBondContact O-CG1 3.32Å; A91-I94 PolarHBondContact O-N 3.3Å; M92-I94 PolarHBondContact O-N 3.29Å; I94-Q170 HydrophobicContact CG2-CG 3.98Å; I94-F173 HydrophobicContact CG1-CB 3.84Å; I94-I174 HydrophobicContact CD1-CG1 3.65Å; I94-I174 HydrophobicContact CG1-CG1 4.16Å; I94-I174 HydrophobicContact CG2-CG1 4.5Å
95H84.3Confident89.4Confident131 Ų13142.3 Ų42.361%0.60622%0.22SC*.SBendtrans-135.983.7177.1-70.1-67.7000110.4M92 L97 Q170M92-H95 CarbonylContact O-C 3.26Å; M92-H95 PolarHBondContact O-N 3.23Å; H95-L97 PolarHBondContact O-N 3.45Å; H95-Q170 PolarHBondContact CE1-NE2 3.13Å
96P80.5Confident89.4Confident12 Ų1242 Ų428%0.07822%0.221CC..  trans-72.4122.4-173.628.1-33.4000111.4F39 F44 M92F39-P96 HydrophobicContact CD1-CG 3.79Å; F39-P96 HydrophobicContact CD2-CG 4.11Å; F39-P96 HydrophobicContact CE1-CG 3.65Å; F39-P96 HydrophobicContact CE2-CG 3.98Å; F39-P96 HydrophobicContact CG-CG 4Å; F39-P96 HydrophobicContact CZ-CG 3.75Å; F44-P96 HydrophobicContact CD2-CB 4.1Å; F44-P96 HydrophobicContact CE2-CB 3.83Å; F44-P96 HydrophobicContact CZ-CB 4.35Å; M92-P96 WeakPolarHBondContact O-CA 3.5Å
97L83.4Confident89.5Confident106 Ų10645.9 Ų45.956%0.55524%0.242SC*.  trans-120.2129.7171.6-69.2170.7000108.9H95 W99 S100 F101H95-L97 PolarHBondContact O-N 3.45Å; L97-W99 PolarHBondContact O-N 3.36Å; L97-S100 PolarHBondContact O-N 3.31Å; L97-F101 WeakPolarHBondContact O-CB 3.27Å; L97-F101 PolarHBondContact O-N 3.47Å
98T81Confident89.5Confident39 Ų3945.8 Ų45.824%0.23924%0.241CC..Hα-helixtrans-54.7-48.7-169.2-47.90000113.3E43 F44 H45 Y102E43-T98 PolarHBondContact O-OG1 3.46Å; F44-T98 WeakPolarHBondContact CA-OG1 3.07Å; F44-T98 WeakPolarHBondContact CD2-OG1 3.32Å; H45-T98 PolarHBondContact N-OG1 3.3Å; T98-Y102 HydrophobicContact CG2-CD2 4.33Å; T98-Y102 HydrophobicContact CG2-CE2 4.01Å; T98-Y102 WeakPolarHBondContact O-CD2 3.41Å; T98-Y102 PolarHBondContact O-N 2.96Å
99W83.8Confident89.5Confident210 Ų21044.2 Ų44.280%0.79523%0.225SC*.Hα-helixtrans-71.1-43.2-177.4-174.575.4000112.5L97 F101 T103L97-W99 PolarHBondContact O-N 3.36Å; W99-F101 VanDerWaalsContact C-N 3.3Å; W99-F101 PolarHBondContact O-N 3.45Å; W99-T103 WeakPolarHBondContact O-CB 3.27Å; W99-T103 PolarHBondContact O-N 2.98Å; W99-T103 PolarHBondContact O-OG1 3.01Å
100S86.8Confident89.6Confident36 Ų3647.2 Ų47.225%0.25224%0.243SC..Hα-helixtrans-65.4-34.8177.5-55.90000111.9L97 T103 A104L97-S100 PolarHBondContact O-N 3.31Å; S100-T103 PolarHBondContact O-N 3.4Å; S100-A104 VanDerWaalsContact O-CB 3.28Å; S100-A104 WeakPolarHBondContact O-CB 3.33Å; S100-A104 PolarHBondContact O-N 2.96Å
101F89.1Confident89.7Confident1 Ų147.3 Ų47.30%0.00424%0.243CC..Hα-helixtrans-63.1-51.4179.5179.9-123.4000112.1E32 I36 F44 S51 Y89 F93 L97 W99 A104 S105E32-F101 WeakPolarHBondContact OE1-CZ 3.35Å; I36-F101 HydrophobicContact CD1-CZ 4.35Å; I36-F101 HydrophobicContact CG1-CZ 4.45Å; F44-F101 HydrophobicContact CE2-CB 4.44Å; F44-F101 HydrophobicContact CE2-CD1 4.45Å; F44-F101 HydrophobicContact CZ-CD1 4.04Å; F44-F101 HydrophobicContact CZ-CE1 4.45Å; S51-F101 VanDerWaalsContact CB-CE1 3.5Å; S51-F101 WeakPolarHBondContact OG-CZ 3.38Å; Y89-F101 HydrophobicContact CE2-CE2 4.06Å; F93-F101 AromaticContact CE1-CE2 3.82Å; F93-F101 HydrophobicContact CE1-CE2 3.82Å; F93-F101 HydrophobicContact CE1-CZ 4.14Å; F93-F101 AromaticContact CE2-CE2 3.88Å; F93-F101 HydrophobicContact CE2-CE2 3.88Å; F93-F101 HydrophobicContact CZ-CD2 4.44Å; F93-F101 AromaticContact CZ-CE2 3.36Å; F93-F101 HydrophobicContact CZ-CE2 3.36Å; F93-F101 AromaticContact CZ-CZ 3.88Å; F93-F101 HydrophobicContact CZ-CZ 3.88Å; L97-F101 WeakPolarHBondContact O-CB 3.27Å; L97-F101 PolarHBondContact O-N 3.47Å; W99-F101 VanDerWaalsContact C-N 3.3Å; W99-F101 PolarHBondContact O-N 3.45Å; F101-A104 PolarHBondContact O-N 2.88Å; F101-S105 PolarHBondContact O-N 3.48Å; F101-S105 PolarHBondContact O-OG 2.89Å
102Y92.2Very high89.6Confident55 Ų5546 Ų4622%0.21623%0.233CC..Hα-helixtrans-69.6-33.8177-66.6-46.6000113G46 S47 T50 I54 T98 S105 V106G46-Y102 WeakPolarHBondContact CA-OH 3.3Å; S47-Y102 PolarHBondContact N-OH 2.84Å; T50-Y102 HydrophobicContact CG2-CE1 3.73Å; I54-Y102 HydrophobicContact CD1-CD1 3.63Å; I54-Y102 HydrophobicContact CD1-CE1 4.26Å; I54-Y102 HydrophobicContact CD1-CG 4.13Å; T98-Y102 HydrophobicContact CG2-CD2 4.33Å; T98-Y102 HydrophobicContact CG2-CE2 4.01Å; T98-Y102 WeakPolarHBondContact O-CD2 3.41Å; T98-Y102 PolarHBondContact O-N 2.96Å; Y102-S105 VanDerWaalsContact O-CB 3.28Å; Y102-S105 WeakPolarHBondContact O-CB 3.28Å; Y102-S105 PolarHBondContact O-N 2.84Å; Y102-V106 PolarHBondContact O-N 3.12Å; Y102-V106 VanDerWaalsContact O-N 3.11Å
103T92.4Very high89.6Confident54 Ų5442.9 Ų42.933%0.33122%0.217SC..Hα-helixtrans-63.7-43.2173.6-56.20000111.1W99 S100 S105 V106 L107W99-T103 WeakPolarHBondContact O-CB 3.27Å; W99-T103 PolarHBondContact O-N 2.98Å; W99-T103 PolarHBondContact O-OG1 3.01Å; S100-T103 PolarHBondContact O-N 3.4Å; T103-S105 VanDerWaalsContact C-N 3.28Å; T103-S105 PolarHBondContact O-N 3.47Å; T103-V106 PolarHBondContact O-N 3.29Å; T103-L107 WeakPolarHBondContact O-CG 3.45Å; T103-L107 PolarHBondContact O-N 3.16Å; T103-L107 VanDerWaalsContact O-N 3.1Å
104A93.2Very high89.8Confident9 Ų943.5 Ų43.57%0.07422%0.222CC..Hα-helixtrans-63.1-35.4174.900000112.1Y89 M92 S100 F101 L107 V108Y89-A104 HydrophobicContact CD2-CB 4.06Å; M92-A104 HydrophobicContact CG-CB 4.03Å; S100-A104 VanDerWaalsContact O-CB 3.28Å; S100-A104 WeakPolarHBondContact O-CB 3.33Å; S100-A104 PolarHBondContact O-N 2.96Å; F101-A104 PolarHBondContact O-N 2.88Å; A104-L107 PolarHBondContact O-N 3.07Å; A104-V108 PolarHBondContact O-N 3.39Å
105S94Very high89.9Confident0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-60.2-44.7174.8-52.10000111.7S51 I55 F101 Y102 T103 V108 G109S51-S105 PolarHBondContact OG-OG 3.04Å; I55-S105 WeakPolarHBondContact CG1-O 3.45Å; F101-S105 PolarHBondContact O-N 3.48Å; F101-S105 PolarHBondContact O-OG 2.89Å; Y102-S105 VanDerWaalsContact O-CB 3.28Å; Y102-S105 WeakPolarHBondContact O-CB 3.28Å; Y102-S105 PolarHBondContact O-N 2.84Å; T103-S105 VanDerWaalsContact C-N 3.28Å; T103-S105 PolarHBondContact O-N 3.47Å; S105-V108 PolarHBondContact O-N 2.91Å; S105-G109 PolarHBondContact O-N 3.26Å
106V95.9Very high90Very high61 Ų6139.3 Ų39.337%0.3720%0.198SC..Hα-helixtrans-61.2-48.2174.7175.50000110.7I54 V58 Y102 T103 V108 G109 V110I54-V106 HydrophobicContact CG2-CB 4.4Å; I54-V106 HydrophobicContact CG2-CG2 3.5Å; V58-V106 HydrophobicContact CG1-CG1 4.23Å; V58-V106 WeakPolarHBondContact CG1-O 3.36Å; V58-V106 HydrophobicContact CG2-CB 4.49Å; V58-V106 HydrophobicContact CG2-CG1 4.19Å; V58-V106 HydrophobicContact CG2-CG2 4.34Å; Y102-V106 PolarHBondContact O-N 3.12Å; Y102-V106 VanDerWaalsContact O-N 3.11Å; T103-V106 PolarHBondContact O-N 3.29Å; V106-V108 VanDerWaalsContact C-N 3.32Å; V106-V108 PolarHBondContact O-N 3.49Å; V106-G109 PolarHBondContact O-N 3.31Å; V106-G109 VanDerWaalsContact O-N 3.15Å; V106-V110 PolarHBondContact O-N 3.18Å; V106-V110 VanDerWaalsContact O-N 3.15Å
107L95.5Very high90Very high85 Ų8540.6 Ų40.645%0.44521%0.206SC..Hα-helixtrans-61.8-40-179-67.4177.1000112.2L85 T103 A104 V110 A111L85-L107 HydrophobicContact CD2-CB 4.41Å; T103-L107 WeakPolarHBondContact O-CG 3.45Å; T103-L107 PolarHBondContact O-N 3.16Å; T103-L107 VanDerWaalsContact O-N 3.1Å; A104-L107 PolarHBondContact O-N 3.07Å; L107-V110 PolarHBondContact O-N 2.92Å; L107-A111 WeakPolarHBondContact O-CB 3.4Å; L107-A111 PolarHBondContact O-N 3.46Å
108V94.8Very high90Very high1 Ų135.6 Ų35.61%0.00618%0.18CC..Hα-helixtrans-67.7-36.5175167.50000112.1F25 I55 L85 Y86 Y89 A104 S105 V106 V110 A111 A112F25-V108 HydrophobicContact CE2-CG1 3.94Å; F25-V108 HydrophobicContact CZ-CG1 4.46Å; I55-V108 HydrophobicContact CD1-CG1 4.47Å; I55-V108 HydrophobicContact CG1-CG1 4.48Å; I55-V108 HydrophobicContact CG2-CG1 4.25Å; L85-V108 WeakPolarHBondContact O-CG2 3.37Å; Y86-V108 HydrophobicContact CD1-CG1 4.15Å; Y86-V108 HydrophobicContact CE1-CG1 3.9Å; Y86-V108 HydrophobicContact CE2-CG1 4.43Å; Y89-V108 HydrophobicContact CD1-CG2 4.47Å; Y89-V108 HydrophobicContact CD2-CG2 4.26Å; Y89-V108 HydrophobicContact CG-CG2 3.8Å; A104-V108 PolarHBondContact O-N 3.39Å; S105-V108 PolarHBondContact O-N 2.91Å; V106-V108 VanDerWaalsContact C-N 3.32Å; V106-V108 PolarHBondContact O-N 3.49Å; V108-V110 VanDerWaalsContact C-N 3.31Å; V108-V110 PolarHBondContact O-N 2.98Å; V108-A111 CarbonylContact O-C 3.27Å; V108-A111 PolarHBondContact O-N 2.98Å; V108-A112 VanDerWaalsContact O-CB 3.3Å; V108-A112 WeakPolarHBondContact O-CB 3.44Å; V108-A112 PolarHBondContact O-N 3.36Å
109G93.9Very high90.3Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-57-44.9172.800000112.2I55 F59 S105 V106 A112 A113I55-G109 WeakPolarHBondContact O-CA 3.15Å; F59-G109 VanDerWaalsContact CA-O 3.3Å; F59-G109 WeakPolarHBondContact CA-O 3.29Å; S105-G109 PolarHBondContact O-N 3.26Å; V106-G109 PolarHBondContact O-N 3.31Å; V106-G109 VanDerWaalsContact O-N 3.15Å; G109-A112 PolarHBondContact O-N 2.98Å; G109-A113 PolarHBondContact O-N 3.49Å
110V94.2Very high90.1Very high63 Ų6326 Ų2638%0.38215%0.15SC..Hα-helixtrans-65.1-46.2174.6-178.40000111V58 V106 L107 V108 A112 A113 V114V58-V110 HydrophobicContact CG1-CG2 3.68Å; V106-V110 PolarHBondContact O-N 3.18Å; V106-V110 VanDerWaalsContact O-N 3.15Å; L107-V110 PolarHBondContact O-N 2.92Å; V108-V110 VanDerWaalsContact C-N 3.31Å; V108-V110 PolarHBondContact O-N 2.98Å; V110-A112 VanDerWaalsContact C-N 3.28Å; V110-A112 PolarHBondContact O-N 3.46Å; V110-A113 PolarHBondContact O-N 3.3Å; V110-V114 PolarHBondContact O-N 2.87Å
111A93.8Very high89.7Confident2 Ų226.2 Ų26.22%0.01715%0.148CC..Hα-helixtrans-59.3-39.5178.800000112.1S82 L85 Y86 L107 V108 A113 V114 L115S82-A111 WeakPolarHBondContact CB-O 3.37Å; S82-A111 PolarHBondContact OG-O 3.32Å; L85-A111 HydrophobicContact CB-CB 3.83Å; L85-A111 HydrophobicContact CD1-CB 3.75Å; L85-A111 HydrophobicContact CG-CB 4.43Å; Y86-A111 HydrophobicContact CD2-CB 4.26Å; Y86-A111 HydrophobicContact CE2-CB 4.19Å; L107-A111 WeakPolarHBondContact O-CB 3.4Å; L107-A111 PolarHBondContact O-N 3.46Å; V108-A111 CarbonylContact O-C 3.27Å; V108-A111 PolarHBondContact O-N 2.98Å; A111-A113 VanDerWaalsContact C-N 3.34Å; A111-A113 PolarHBondContact O-N 3Å; A111-V114 PolarHBondContact O-N 3.29Å; A111-L115 WeakPolarHBondContact O-CB 3.37Å; A111-L115 PolarHBondContact O-N 3.03Å
112A91.2Very high89.4Confident5 Ų526.5 Ų26.54%0.04115%0.15CC..Hα-helixtrans-58.8-45.917800000111.2F59 Y86 V108 G109 V110 V114 L115 W116F59-A112 HydrophobicContact CB-CB 4.45Å; F59-A112 HydrophobicContact CD2-CB 3.59Å; F59-A112 HydrophobicContact CE2-CB 4.2Å; F59-A112 HydrophobicContact CG-CB 4.29Å; Y86-A112 HydrophobicContact CE2-CB 4.36Å; Y86-A112 VanDerWaalsContact OH-CA 3.32Å; Y86-A112 WeakPolarHBondContact OH-CA 3.39Å; Y86-A112 WeakPolarHBondContact OH-CB 3.35Å; V108-A112 VanDerWaalsContact O-CB 3.3Å; V108-A112 WeakPolarHBondContact O-CB 3.44Å; V108-A112 PolarHBondContact O-N 3.36Å; G109-A112 PolarHBondContact O-N 2.98Å; V110-A112 VanDerWaalsContact C-N 3.28Å; V110-A112 PolarHBondContact O-N 3.46Å; A112-V114 PolarHBondContact O-N 3.48Å; A112-L115 PolarHBondContact O-N 3.33Å; A112-W116 PolarHBondContact O-N 3.07Å
113A88.7Confident88.8Confident0 Ų024.6 Ų24.60%014%0.144CC..Hα-helixtrans-62.3-46.6-179.900000111.2F59 N63 A66 G109 V110 A111 T117F59-A113 HydrophobicContact CD2-CB 3.95Å; F59-A113 HydrophobicContact CE2-CB 4.28Å; N63-A113 WeakPolarHBondContact OD1-CB 3.43Å; A66-A113 VanDerWaalsContact CB-C 3.49Å; A66-A113 HydrophobicContact CB-CB 3.89Å; A66-A113 WeakPolarHBondContact CB-O 3.4Å; G109-A113 PolarHBondContact O-N 3.49Å; V110-A113 PolarHBondContact O-N 3.3Å; A111-A113 VanDerWaalsContact C-N 3.34Å; A111-A113 PolarHBondContact O-N 3Å; A113-T117 VanDerWaalsContact O-CB 3.3Å; A113-T117 WeakPolarHBondContact O-CB 3.45Å; A113-T117 PolarHBondContact O-N 3.32Å; A113-T117 VanDerWaalsContact O-N 3.13Å; A113-T117 PolarHBondContact O-OG1 3.16Å
114V88.9Confident88.1Confident15 Ų1523.6 Ų23.69%0.09114%0.141CC..Hα-helixtrans-64.9-43.6177.7175.40000111.5A66 V69 V70 V110 A111 A112 T117 A118A66-V114 HydrophobicContact CB-CG2 4.29Å; V69-V114 HydrophobicContact CB-CG2 4.33Å; V69-V114 HydrophobicContact CG1-CG1 4.23Å; V69-V114 HydrophobicContact CG1-CG2 4.1Å; V70-V114 HydrophobicContact CG2-CG1 4Å; V110-V114 PolarHBondContact O-N 2.87Å; A111-V114 PolarHBondContact O-N 3.29Å; A112-V114 PolarHBondContact O-N 3.48Å; V114-T117 PolarHBondContact O-N 2.89Å; V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.44Å; V114-A118 PolarHBondContact O-N 3.45Å
115L91Very high87.5Confident0 Ų026.2 Ų26.20%015%0.153CC..Hα-helixtrans-61.9-51.5-178.6-179.967.3000112.1F18 M21 F22 M79 Y86 A111 A112 T117 A118 Q119 F187F18-L115 HydrophobicContact CE1-CD2 4.17Å; F18-L115 HydrophobicContact CE1-CG 4.09Å; F18-L115 HydrophobicContact CE2-CD1 4.16Å; F18-L115 HydrophobicContact CZ-CD1 3.73Å; F18-L115 HydrophobicContact CZ-CD2 4.17Å; F18-L115 HydrophobicContact CZ-CG 3.65Å; M21-L115 HydrophobicContact CE-CD1 3.91Å; M21-L115 HydrophobicContact CE-CD2 3.44Å; M21-L115 VanDerWaalsContact CE-CD2 3.44Å; M21-L115 HydrophobicContact CE-CG 4.23Å; M21-L115 HydrophobicContact SD-CD2 3.95Å; F22-L115 HydrophobicContact CE2-CD2 4.06Å; F22-L115 HydrophobicContact CZ-CD2 4.34Å; M79-L115 HydrophobicContact CB-CD1 4.01Å; M79-L115 HydrophobicContact CG-CD1 4.04Å; Y86-L115 HydrophobicContact CD2-CD2 4.06Å; Y86-L115 HydrophobicContact CE2-CB 4.49Å; Y86-L115 HydrophobicContact CE2-CD2 3.52Å; A111-L115 WeakPolarHBondContact O-CB 3.37Å; A111-L115 PolarHBondContact O-N 3.03Å; A112-L115 PolarHBondContact O-N 3.33Å; L115-T117 VanDerWaalsContact C-N 3.34Å; L115-A118 PolarHBondContact O-N 2.76Å; L115-Q119 WeakPolarHBondContact O-CB 3.34Å; L115-Q119 PolarHBondContact O-N 3.42Å; L115-F187 HydrophobicContact CD1-CE2 4.38Å
116W85.2Confident86.9Confident71 Ų7126.5 Ų26.527%0.26916%0.155SC..Hα-helixtrans-66.6-36.9-179.8-76.8112.9000112F18 F22 A112 Q119 G120 F139 L143F18-W116 HydrophobicContact CD1-CH2 4.26Å; F18-W116 HydrophobicContact CD1-CZ3 4.37Å; F18-W116 HydrophobicContact CE1-CD2 4.37Å; F18-W116 HydrophobicContact CE1-CE3 4.11Å; F18-W116 HydrophobicContact CE1-CH2 4.15Å; F18-W116 HydrophobicContact CE1-CZ2 4.42Å; F18-W116 AromaticContact CE1-CZ3 4Å; F18-W116 HydrophobicContact CE1-CZ3 4Å; F22-W116 AromaticContact CE1-CZ2 3.75Å; F22-W116 HydrophobicContact CE1-CZ2 3.75Å; F22-W116 HydrophobicContact CE2-CH2 4.47Å; F22-W116 AromaticContact CE2-CZ2 3.93Å; F22-W116 HydrophobicContact CE2-CZ2 3.93Å; F22-W116 AromaticContact CZ-CE2 3.68Å; F22-W116 HydrophobicContact CZ-CH2 4.22Å; F22-W116 AromaticContact CZ-CZ2 3.3Å; F22-W116 HydrophobicContact CZ-CZ2 3.3Å; F22-W116 AromaticContact CZ-NE1 3.77Å; A112-W116 PolarHBondContact O-N 3.07Å; W116-Q119 PolarHBondContact O-N 3.37Å; W116-G120 PolarHBondContact O-N 2.94Å; W116-F139 HydrophobicContact CZ3-CE1 4.07Å; W116-F139 HydrophobicContact CZ3-CZ 4.06Å; W116-L143 HydrophobicContact CH2-CD1 4.34Å; W116-L143 HydrophobicContact CH2-CD2 3.69Å; W116-L143 HydrophobicContact CZ3-CD2 4.46Å
117T81.9Confident86Confident40 Ų4024.3 Ų24.325%0.24514%0.142CC..Hα-helixtrans-64.6-44.7174.7-58.30000111.5A66 P67 V70 A113 V114 L115 Q119 G120 N121A66-T117 HydrophobicContact CB-CG2 4.49Å; A66-T117 WeakPolarHBondContact CB-OG1 3.48Å; P67-T117 HydrophobicContact CB-CG2 4.31Å; P67-T117 HydrophobicContact CG-CG2 4.08Å; V70-T117 HydrophobicContact CB-CG2 4.32Å; V70-T117 HydrophobicContact CG2-CG2 3.97Å; A113-T117 VanDerWaalsContact O-CB 3.3Å; A113-T117 WeakPolarHBondContact O-CB 3.45Å; A113-T117 PolarHBondContact O-N 3.32Å; A113-T117 VanDerWaalsContact O-N 3.13Å; A113-T117 PolarHBondContact O-OG1 3.16Å; V114-T117 PolarHBondContact O-N 2.89Å; L115-T117 VanDerWaalsContact C-N 3.34Å; T117-Q119 VanDerWaalsContact C-N 3.35Å; T117-Q119 PolarHBondContact O-N 3.45Å; T117-G120 PolarHBondContact O-N 3.47Å; T117-N121 PolarHBondContact O-N 2.8Å; T117-N121 VanDerWaalsContact O-N 3.13Å
118A82.8Confident85.2Confident0 Ų023.8 Ų23.80%014%0.142CC..Hα-helixtrans-64.8-3917700000112.3V70 P75 M79 V114 L115 N121 V122V70-A118 HydrophobicContact CG1-CB 4.09Å; V70-A118 HydrophobicContact CG2-CB 3.9Å; P75-A118 HydrophobicContact CB-CB 4.09Å; M79-A118 HydrophobicContact CG-CB 3.54Å; M79-A118 HydrophobicContact SD-CB 4.45Å; V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.44Å; V114-A118 PolarHBondContact O-N 3.45Å; L115-A118 PolarHBondContact O-N 2.76Å; A118-N121 PolarHBondContact O-N 3.14Å; A118-V122 WeakPolarHBondContact O-CG2 3.42Å; A118-V122 PolarHBondContact O-N 3.24Å
119Q87.1Confident84Confident16 Ų1630 Ų308%0.07518%0.175CC..Hα-helixtrans-60.6-47.9175.4-179.2-77.2-43.200111.9L14 F18 L115 W116 T117 N121 V122 L123 F139L14-Q119 HydrophobicContact CD1-CG 4.33Å; L14-Q119 HydrophobicContact CD2-CG 4.18Å; L14-Q119 HydrophobicContact CG-CG 4.46Å; F18-Q119 HydrophobicContact CD2-CG 4.38Å; F18-Q119 HydrophobicContact CE1-CB 4.22Å; F18-Q119 HydrophobicContact CE1-CG 3.99Å; F18-Q119 HydrophobicContact CE2-CB 3.86Å; F18-Q119 HydrophobicContact CE2-CG 3.73Å; F18-Q119 HydrophobicContact CZ-CB 3.44Å; F18-Q119 VanDerWaalsContact CZ-CB 3.44Å; F18-Q119 HydrophobicContact CZ-CG 3.52Å; L115-Q119 WeakPolarHBondContact O-CB 3.34Å; L115-Q119 PolarHBondContact O-N 3.42Å; W116-Q119 PolarHBondContact O-N 3.37Å; T117-Q119 VanDerWaalsContact C-N 3.35Å; T117-Q119 PolarHBondContact O-N 3.45Å; Q119-N121 VanDerWaalsContact C-N 3.28Å; Q119-N121 PolarHBondContact O-N 3.48Å; Q119-V122 PolarHBondContact O-N 3.34Å; Q119-L123 WeakPolarHBondContact O-CB 3.31Å; Q119-L123 PolarHBondContact O-N 3.26Å; Q119-F139 HydrophobicContact CG-CE1 4.21Å; Q119-F139 HydrophobicContact CG-CE2 3.74Å; Q119-F139 HydrophobicContact CG-CZ 3.52Å
120G79.3Confident82.9Confident33 Ų3341.7 Ų41.734%0.3422%0.22SC..Hα-helixtrans-58-42.7176.700000111.9W116 T117 L123 A124W116-G120 PolarHBondContact O-N 2.94Å; T117-G120 PolarHBondContact O-N 3.47Å; G120-L123 PolarHBondContact O-N 2.73Å; G120-A124 WeakPolarHBondContact O-CB 3.44Å; G120-A124 PolarHBondContact O-N 2.79Å
121N78.9Confident82Confident39 Ų3939.6 Ų39.621%0.20921%0.208CC..Hα-helixtrans-63.1-47176.8-169.26.7000112.4T117 A118 Q119 L123 A124 I125T117-N121 PolarHBondContact O-N 2.8Å; T117-N121 VanDerWaalsContact O-N 3.13Å; A118-N121 PolarHBondContact O-N 3.14Å; Q119-N121 VanDerWaalsContact C-N 3.28Å; Q119-N121 PolarHBondContact O-N 3.48Å; N121-L123 VanDerWaalsContact C-N 3.29Å; N121-L123 PolarHBondContact O-N 3.01Å; N121-A124 PolarHBondContact O-N 3.11Å; N121-I125 WeakPolarHBondContact O-CG1 3.3Å; N121-I125 PolarHBondContact O-N 2.94Å; N121-I125 WeakPolarHBondContact OD1-CD1 3.4Å
122V81.8Confident80.9Confident8 Ų842.4 Ų42.45%0.04822%0.222CC..Hα-helixtrans-61.4-40.6176.81740000111.3L14 P75 M79 A118 Q119 N126 I190L14-V122 HydrophobicContact CD2-CB 4.23Å; L14-V122 HydrophobicContact CD2-CG1 3.92Å; P75-V122 HydrophobicContact CB-CG2 3.87Å; P75-V122 HydrophobicContact CG-CG2 4.33Å; M79-V122 HydrophobicContact CE-CG2 3.65Å; M79-V122 HydrophobicContact SD-CG2 4.37Å; A118-V122 WeakPolarHBondContact O-CG2 3.42Å; A118-V122 PolarHBondContact O-N 3.24Å; Q119-V122 PolarHBondContact O-N 3.34Å; V122-N126 WeakPolarHBondContact O-CB 3.43Å; V122-N126 PolarHBondContact O-N 2.97Å; V122-N126 VanDerWaalsContact O-N 3.09Å; V122-N126 PolarHBondContact O-ND2 2.87Å; V122-I190 HydrophobicContact CG1-CG2 4.22Å
123L80.1Confident79.8Confident14 Ų1444.8 Ų44.87%0.07325%0.247CC..Hα-helixtrans-64.8-40.9178.8-172.862.1000111.6I11 Q119 G120 N121 S127 I132 N135 S136I11-L123 HydrophobicContact CG1-CD1 4.18Å; I11-L123 HydrophobicContact CG2-CD1 4.24Å; Q119-L123 WeakPolarHBondContact O-CB 3.31Å; Q119-L123 PolarHBondContact O-N 3.26Å; G120-L123 PolarHBondContact O-N 2.73Å; N121-L123 VanDerWaalsContact C-N 3.29Å; N121-L123 PolarHBondContact O-N 3.01Å; L123-S127 WeakPolarHBondContact O-CB 3.31Å; L123-S127 PolarHBondContact O-N 3.21Å; L123-S127 PolarHBondContact O-OG 3.14Å; L123-I132 HydrophobicContact CG-CD1 3.99Å; L123-N135 HydrophobicContact CD1-CB 4.06Å; L123-S136 WeakPolarHBondContact CD2-OG 3.44Å
124A78.2Confident79.3Confident34 Ų3452 Ų5228%0.28127%0.274SS..Hα-helixtrans-63.4-51.7175.900000111.8G120 N121 N126 S127G120-A124 WeakPolarHBondContact O-CB 3.44Å; G120-A124 PolarHBondContact O-N 2.79Å; N121-A124 PolarHBondContact O-N 3.11Å; A124-N126 VanDerWaalsContact C-N 3.26Å; A124-N126 PolarHBondContact O-N 3.43Å; A124-S127 PolarHBondContact O-N 3.45Å
125I81.3Confident78.8Confident63 Ų6351.5 Ų51.532%0.32327%0.271SS..Hα-helixtrans-61-34.4-179-67.7168.5000112.3N121 S127 P193N121-I125 WeakPolarHBondContact O-CG1 3.3Å; N121-I125 PolarHBondContact O-N 2.94Å; N121-I125 WeakPolarHBondContact OD1-CD1 3.4Å; I125-S127 VanDerWaalsContact C-N 3.34Å; I125-P193 HydrophobicContact CG2-CG 3.45Å; I125-P193 VanDerWaalsContact CG2-CG 3.45Å
126N80.6Confident78Confident7 Ų753.4 Ų53.44%0.03728%0.284CS..THydrogen-bonded Turntrans-91.96.4-179.2-69-85.4000113.4K7 N10 I11 V122 A124K7-N126 HydrophobicContact CB-CB 4.39Å; N10-N126 WeakPolarHBondContact CB-OD1 3.45Å; N10-N126 PolarHBondContact ND2-OD1 3.25Å; I11-N126 HydrophobicContact CD1-CB 4.05Å; I11-N126 HydrophobicContact CG1-CB 4Å; V122-N126 WeakPolarHBondContact O-CB 3.43Å; V122-N126 PolarHBondContact O-N 2.97Å; V122-N126 VanDerWaalsContact O-N 3.09Å; V122-N126 PolarHBondContact O-ND2 2.87Å; A124-N126 VanDerWaalsContact C-N 3.26Å; A124-N126 PolarHBondContact O-N 3.43Å
127S77Confident77.5Confident15 Ų1552 Ų5211%0.10529%0.292CS..  trans-123163.8179.4-59.20000111.8L123 A124 I125 I132 N135L123-S127 WeakPolarHBondContact O-CB 3.31Å; L123-S127 PolarHBondContact O-N 3.21Å; L123-S127 PolarHBondContact O-OG 3.14Å; A124-S127 PolarHBondContact O-N 3.45Å; I125-S127 VanDerWaalsContact C-N 3.34Å; S127-I132 VanDerWaalsContact CB-CD1 3.46Å; S127-N135 PolarHBondContact OG-ND2 2.91Å
128T79Confident77.6Confident73 Ų7352.7 Ų52.745%0.44829%0.294SS..  trans-119.3164.4169.357.80000108.2R130 S131 I132T128-R130 PolarHBondContact O-N 3.16Å; T128-S131 PolarHBondContact N-OG 3.28Å; T128-S131 CarbonylContact O-C 3.6Å; T128-S131 PolarHBondContact O-N 3.2Å; T128-S131 PolarHBondContact O-OG 2.68Å; T128-S131 PolarHBondContact OG1-OG 3.44Å; T128-I132 PolarHBondContact O-N 2.66Å
129D70.3Confident77.8Confident131 Ų13153.1 Ų53.170%0.70130%0.295SS*.THydrogen-bonded Turntrans-53.1-31.9-179.4-57-31.9000113.4
130R69.3Low77.4Confident246 Ų24658.6 Ų58.693%0.92832%0.315SS*.THydrogen-bonded Turntrans-81.3-24.1177.6-66.4-176.5175.5-173.8-0.9114T128T128-R130 PolarHBondContact O-N 3.16Å
131S74.9Confident77.4Confident20 Ų2059.5 Ų59.514%0.1432%0.317CS..THydrogen-bonded Turntrans-107.7-16.4-173.8630000114.4T128 G133 R134 N135T128-S131 PolarHBondContact N-OG 3.28Å; T128-S131 CarbonylContact O-C 3.6Å; T128-S131 PolarHBondContact O-N 3.2Å; T128-S131 PolarHBondContact O-OG 2.68Å; T128-S131 PolarHBondContact OG1-OG 3.44Å; S131-G133 VanDerWaalsContact C-N 3.3Å; S131-G133 PolarHBondContact O-N 3.06Å; S131-R134 PolarHBondContact O-N 2.83Å; S131-R134 VanDerWaalsContact O-N 3.1Å; S131-N135 WeakPolarHBondContact O-CB 3.34Å; S131-N135 PolarHBondContact O-N 3.14Å; S131-N135 PolarHBondContact O-ND2 2.86Å; S131-N135 PolarHBondContact O-OD1 3.22Å
132I71.8Confident77.8Confident61 Ų6159 Ų5931%0.31331%0.314SS..Hα-helixtrans-54.9-42.7-177.9-171.766.6000112.3L123 S127 T128 R134 N135 S136L123-I132 HydrophobicContact CG-CD1 3.99Å; S127-I132 VanDerWaalsContact CB-CD1 3.46Å; T128-I132 PolarHBondContact O-N 2.66Å; I132-R134 PolarHBondContact O-N 3.3Å; I132-N135 PolarHBondContact O-N 3.1Å; I132-S136 WeakPolarHBondContact O-CB 3.22Å; I132-S136 PolarHBondContact O-N 3.49Å; I132-S136 PolarHBondContact O-OG 2.93Å
133G68.4Low77.9Confident54 Ų5459.1 Ų59.156%0.55731%0.314SS*.Hα-helixtrans-64.1-42.8178.400000112.9S131 G137S131-G133 VanDerWaalsContact C-N 3.3Å; S131-G133 PolarHBondContact O-N 3.06Å; G133-G137 PolarHBondContact O-N 2.96Å
134R77Confident78Confident152 Ų15259.2 Ų59.257%0.57431%0.314SS*.Hα-helixtrans-65.2-47.3176.5-177.7-170.767.8-175.4-1.2110.9S131 I132 G137 I138S131-R134 PolarHBondContact O-N 2.83Å; S131-R134 VanDerWaalsContact O-N 3.1Å; I132-R134 PolarHBondContact O-N 3.3Å; R134-G137 PolarHBondContact O-N 2.88Å; R134-I138 HydrophobicContact CG-CD1 4.12Å; R134-I138 WeakPolarHBondContact O-CG1 3.09Å; R134-I138 PolarHBondContact O-N 2.65Å
135N79.6Confident78.2Confident4 Ų461.9 Ų61.92%0.02132%0.319CS..Hα-helixtrans-66.2-41.4-176.7-66.8-7.8000111.4I11 L123 S127 S131 I132 G137 I138 F139I11-N135 HydrophobicContact CD1-CB 3.55Å; I11-N135 WeakPolarHBondContact CD1-ND2 3.43Å; I11-N135 HydrophobicContact CG1-CB 4.43Å; I11-N135 HydrophobicContact CG2-CB 4.27Å; L123-N135 HydrophobicContact CD1-CB 4.06Å; S127-N135 PolarHBondContact OG-ND2 2.91Å; S131-N135 WeakPolarHBondContact O-CB 3.34Å; S131-N135 PolarHBondContact O-N 3.14Å; S131-N135 PolarHBondContact O-ND2 2.86Å; S131-N135 PolarHBondContact O-OD1 3.22Å; I132-N135 PolarHBondContact O-N 3.1Å; N135-G137 VanDerWaalsContact C-N 3.34Å; N135-I138 PolarHBondContact O-N 2.82Å; N135-F139 PolarHBondContact O-N 3.47Å
136S74.1Confident78.5Confident41 Ų4159.1 Ų59.129%0.28731%0.306SS..Hα-helixtrans-61.4-42.6172.3-54.50000111.5L123 I132 F139 W140L123-S136 WeakPolarHBondContact CD2-OG 3.44Å; I132-S136 WeakPolarHBondContact O-CB 3.22Å; I132-S136 PolarHBondContact O-N 3.49Å; I132-S136 PolarHBondContact O-OG 2.93Å; S136-F139 PolarHBondContact O-N 3.39Å; S136-W140 WeakPolarHBondContact O-CB 3.07Å; S136-W140 PolarHBondContact O-N 2.94Å
137G75.2Confident78.6Confident41 Ų4159.2 Ų59.242%0.42331%0.306SS..Hα-helixtrans-63-41.3176.500000113.3G133 R134 N135 W140 S141G133-G137 PolarHBondContact O-N 2.96Å; R134-G137 PolarHBondContact O-N 2.88Å; N135-G137 VanDerWaalsContact C-N 3.34Å; G137-W140 PolarHBondContact O-N 3.5Å; G137-S141 WeakPolarHBondContact O-CB 3.38Å; G137-S141 PolarHBondContact O-N 3.1Å
138I83.4Confident79.1Confident55 Ų5562.6 Ų62.628%0.28232%0.319SS..Hα-helixtrans-62.6-47.9174.8-68165.9000110.4L8 R134 N135 W140 S141 L142L8-I138 HydrophobicContact CD1-CD1 4Å; R134-I138 HydrophobicContact CG-CD1 4.12Å; R134-I138 WeakPolarHBondContact O-CG1 3.09Å; R134-I138 PolarHBondContact O-N 2.65Å; N135-I138 PolarHBondContact O-N 2.82Å; I138-W140 PolarHBondContact O-N 2.95Å; I138-S141 PolarHBondContact O-N 3Å; I138-L142 HydrophobicContact CG2-CD1 4.13Å; I138-L142 WeakPolarHBondContact O-CG 3.47Å; I138-L142 PolarHBondContact O-N 3.26Å
139F85.9Confident79.5Confident8 Ų864.1 Ų64.14%0.03532%0.32CS..Hα-helixtrans-57.9-49.2176.5169.1-94.4000111.5L14 F18 W116 Q119 N135 S136 S141 L142 L143L14-F139 HydrophobicContact CD2-CD2 4.21Å; L14-F139 HydrophobicContact CD2-CE2 4.42Å; L14-F139 HydrophobicContact CG-CD2 4.1Å; L14-F139 HydrophobicContact CG-CE2 4.09Å; F18-F139 HydrophobicContact CB-CE2 3.83Å; F18-F139 HydrophobicContact CB-CZ 4.21Å; F18-F139 AromaticContact CD1-CE2 3.99Å; F18-F139 HydrophobicContact CD1-CE2 3.99Å; F18-F139 AromaticContact CD1-CZ 3.66Å; F18-F139 HydrophobicContact CD1-CZ 3.66Å; F18-F139 AromaticContact CD2-CE2 3.84Å; F18-F139 HydrophobicContact CD2-CE2 3.84Å; F18-F139 HydrophobicContact CD2-CZ 4.3Å; F18-F139 HydrophobicContact CE1-CZ 4.11Å; F18-F139 HydrophobicContact CE2-CE2 4.47Å; F18-F139 AromaticContact CG-CE2 3.6Å; F18-F139 HydrophobicContact CG-CE2 3.6Å; F18-F139 AromaticContact CG-CZ 3.78Å; F18-F139 HydrophobicContact CG-CZ 3.78Å; W116-F139 HydrophobicContact CZ3-CE1 4.07Å; W116-F139 HydrophobicContact CZ3-CZ 4.06Å; Q119-F139 HydrophobicContact CG-CE1 4.21Å; Q119-F139 HydrophobicContact CG-CE2 3.74Å; Q119-F139 HydrophobicContact CG-CZ 3.52Å; N135-F139 PolarHBondContact O-N 3.47Å; S136-F139 PolarHBondContact O-N 3.39Å; F139-S141 VanDerWaalsContact C-N 3.34Å; F139-S141 PolarHBondContact O-N 3.4Å; F139-L142 PolarHBondContact O-N 3.49Å; F139-L143 HydrophobicContact CE1-CD2 4.42Å; F139-L143 WeakPolarHBondContact O-CB 3.23Å; F139-L143 PolarHBondContact O-N 3.48Å
140W78.9Confident80.3Confident131 Ų13158 Ų5850%0.49629%0.287SS..Hα-helixtrans-61.9-41.6-180-171.8-102.7000112S136 G137 I138 L143 Q144S136-W140 WeakPolarHBondContact O-CB 3.07Å; S136-W140 PolarHBondContact O-N 2.94Å; G137-W140 PolarHBondContact O-N 3.5Å; I138-W140 PolarHBondContact O-N 2.95Å; W140-L143 HydrophobicContact CE3-CD2 3.82Å; W140-L143 HydrophobicContact CZ3-CD2 3.76Å; W140-L143 WeakPolarHBondContact O-CB 3.17Å; W140-L143 PolarHBondContact O-N 2.91Å; W140-Q144 WeakPolarHBondContact O-CB 3.43Å; W140-Q144 VanDerWaalsContact O-CG 3.26Å; W140-Q144 WeakPolarHBondContact O-CG 3.39Å; W140-Q144 PolarHBondContact O-N 2.88Å
141S79.8Confident81.2Confident53 Ų5346.2 Ų46.237%0.37124%0.243SC..Hα-helixtrans-61.4-46176-177.90000111.9G137 I138 F139 Q144 F145G137-S141 WeakPolarHBondContact O-CB 3.38Å; G137-S141 PolarHBondContact O-N 3.1Å; I138-S141 PolarHBondContact O-N 3Å; F139-S141 VanDerWaalsContact C-N 3.34Å; F139-S141 PolarHBondContact O-N 3.4Å; S141-Q144 PolarHBondContact O-N 2.77Å; S141-F145 WeakPolarHBondContact O-CD2 3.33Å; S141-F145 PolarHBondContact O-N 3.15Å
142L86.6Confident82Confident27 Ų2748.3 Ų48.314%0.14125%0.252CS..Hα-helixtrans-63.3-41176.5-72.6171.6000112.2F16 M19 I138 F139 Q144 F145F16-L142 HydrophobicContact CE1-CD2 4.42Å; F16-L142 HydrophobicContact CZ-CD2 4.29Å; M19-L142 WeakPolarHBondContact CB-O 3.26Å; M19-L142 VanDerWaalsContact CG-O 3.31Å; M19-L142 WeakPolarHBondContact CG-O 3.42Å; I138-L142 HydrophobicContact CG2-CD1 4.13Å; I138-L142 WeakPolarHBondContact O-CG 3.47Å; I138-L142 PolarHBondContact O-N 3.26Å; F139-L142 PolarHBondContact O-N 3.49Å; L142-Q144 VanDerWaalsContact C-N 3.33Å; L142-Q144 PolarHBondContact O-N 2.83Å; L142-F145 PolarHBondContact O-N 3.34Å
143L85.3Confident82.8Confident12 Ų1248.7 Ų48.76%0.06325%0.25CS..Hα-helixtrans-58.8-46173.6178.773.1000110.9F18 F22 W116 F139 W140 F145 S146F18-L143 HydrophobicContact CB-CD1 4.18Å; F18-L143 HydrophobicContact CD1-CD1 4.2Å; F22-L143 HydrophobicContact CB-CD1 3.89Å; F22-L143 HydrophobicContact CD1-CD1 4.33Å; F22-L143 HydrophobicContact CD2-CD1 3.74Å; F22-L143 HydrophobicContact CE2-CD1 4.39Å; F22-L143 HydrophobicContact CG-CD1 3.7Å; W116-L143 HydrophobicContact CH2-CD1 4.34Å; W116-L143 HydrophobicContact CH2-CD2 3.69Å; W116-L143 HydrophobicContact CZ3-CD2 4.46Å; F139-L143 HydrophobicContact CE1-CD2 4.42Å; F139-L143 WeakPolarHBondContact O-CB 3.23Å; F139-L143 PolarHBondContact O-N 3.48Å; W140-L143 HydrophobicContact CE3-CD2 3.82Å; W140-L143 HydrophobicContact CZ3-CD2 3.76Å; W140-L143 WeakPolarHBondContact O-CB 3.17Å; W140-L143 PolarHBondContact O-N 2.91Å; L143-F145 VanDerWaalsContact C-N 3.31Å; L143-F145 PolarHBondContact O-N 3.49Å; L143-S146 WeakPolarHBondContact O-CB 3.18Å; L143-S146 PolarHBondContact O-N 2.83Å; L143-S146 PolarHBondContact O-OG 3.33Å
144Q80.6Confident83.7Confident15 Ų1546.1 Ų46.17%0.0722%0.224CC..Hα-helixtrans-68.8-27.6-178-69.3-66.4-100113.2W140 S141 L142 S146 L147 E295 I296W140-Q144 WeakPolarHBondContact O-CB 3.43Å; W140-Q144 VanDerWaalsContact O-CG 3.26Å; W140-Q144 WeakPolarHBondContact O-CG 3.39Å; W140-Q144 PolarHBondContact O-N 2.88Å; S141-Q144 PolarHBondContact O-N 2.77Å; L142-Q144 VanDerWaalsContact C-N 3.33Å; L142-Q144 PolarHBondContact O-N 2.83Å; Q144-S146 PolarHBondContact O-N 2.93Å; Q144-S146 VanDerWaalsContact O-N 3.13Å; Q144-L147 WeakPolarHBondContact O-CB 3.29Å; Q144-L147 PolarHBondContact O-N 3.27Å; Q144-L147 VanDerWaalsContact OE1-CD1 3.29Å; Q144-E295 PolarHBondContact NE2-OE1 3.24Å; Q144-I296 HydrophobicContact CB-CD1 4.37Å; Q144-I296 HydrophobicContact CB-CG1 4.07Å
145F84Confident84.2Confident90 Ų9042.1 Ų42.140%0.39521%0.209SC..Hα-helixtrans-61-19.4169.6-83.5-68.1000113.6M19 S141 L142 L143 L147 F148 F149M19-F145 HydrophobicContact SD-CB 4.28Å; S141-F145 WeakPolarHBondContact O-CD2 3.33Å; S141-F145 PolarHBondContact O-N 3.15Å; L142-F145 PolarHBondContact O-N 3.34Å; L143-F145 VanDerWaalsContact C-N 3.31Å; L143-F145 PolarHBondContact O-N 3.49Å; F145-L147 VanDerWaalsContact C-N 3.27Å; F145-L147 PolarHBondContact O-N 3.46Å; F145-F148 WeakPolarHBondContact O-CB 3.38Å; F145-F148 PolarHBondContact O-N 3.41Å; F145-F148 VanDerWaalsContact O-N 3.07Å; F145-F149 WeakPolarHBondContact O-CD2 3.45Å; F145-F149 PolarHBondContact O-N 3.46Å
146S86.8Confident84.6Confident5 Ų546 Ų464%0.03524%0.235CC..Hα-helixtrans-62.4-34.2175.9740000113.3M19 T23 L143 Q144 F148 G150M19-S146 VanDerWaalsContact O-CB 3.26Å; M19-S146 WeakPolarHBondContact O-CB 3.37Å; T23-S146 WeakPolarHBondContact OG1-CA 3.21Å; T23-S146 WeakPolarHBondContact OG1-CB 3.41Å; L143-S146 WeakPolarHBondContact O-CB 3.18Å; L143-S146 PolarHBondContact O-N 2.83Å; L143-S146 PolarHBondContact O-OG 3.33Å; Q144-S146 PolarHBondContact O-N 2.93Å; Q144-S146 VanDerWaalsContact O-N 3.13Å; S146-F148 PolarHBondContact O-N 3.11Å; S146-G150 PolarHBondContact O-N 3.35Å
147L82.3Confident85.1Confident9 Ų945.3 Ų45.35%0.04723%0.232CC..Hα-helixtrans-62.6-31173.8-79169.7000111.8Q26 Q144 F145 N151 E295Q26-L147 HydrophobicContact CB-CD2 4.43Å; Q26-L147 HydrophobicContact CG-CD2 3.26Å; Q26-L147 HydrophobicContact CG-CG 4.14Å; Q144-L147 WeakPolarHBondContact O-CB 3.29Å; Q144-L147 PolarHBondContact O-N 3.27Å; Q144-L147 VanDerWaalsContact OE1-CD1 3.29Å; F145-L147 VanDerWaalsContact C-N 3.27Å; F145-L147 PolarHBondContact O-N 3.46Å; L147-N151 VanDerWaalsContact O-CB 3.27Å; L147-N151 WeakPolarHBondContact O-CB 3.32Å; L147-N151 PolarHBondContact O-ND2 3.4Å; L147-E295 WeakPolarHBondContact CD1-OE2 3.34Å
148F87.6Confident85.4Confident86 Ų8643.4 Ų43.438%0.37721%0.212SC..Hα-helixtrans-72.1-56.7179.7-178.5-96.1000111.4F145 S146 G150 L152 I289F145-F148 WeakPolarHBondContact O-CB 3.38Å; F145-F148 PolarHBondContact O-N 3.41Å; F145-F148 VanDerWaalsContact O-N 3.07Å; S146-F148 PolarHBondContact O-N 3.11Å; F148-G150 PolarHBondContact O-N 2.93Å; F148-L152 HydrophobicContact CE1-CD2 3.98Å; F148-L152 HydrophobicContact CZ-CD2 4.23Å; F148-L152 WeakPolarHBondContact O-CB 3.42Å; F148-L152 PolarHBondContact O-N 3Å; F148-I289 HydrophobicContact CD2-CG1 4.41Å; F148-I289 HydrophobicContact CD2-CG2 3.92Å; F148-I289 HydrophobicContact CE2-CG2 4.13Å
149F88.2Confident85.4Confident106 Ų10645.3 Ų45.347%0.46522%0.22SC..Hα-helixtrans-66.4-41.7-171.7-71.4-67.4000113.2M19 T23 F145 L152 Y153M19-F149 HydrophobicContact SD-CE2 4.35Å; T23-F149 HydrophobicContact CG2-CB 4.15Å; F145-F149 WeakPolarHBondContact O-CD2 3.45Å; F145-F149 PolarHBondContact O-N 3.46Å; F149-L152 PolarHBondContact O-N 3.06Å; F149-Y153 PolarHBondContact O-N 2.66Å
150G86.8Confident84.8Confident1 Ų147.3 Ų47.31%0.0124%0.242CC..Hα-helixtrans-72.8-42.3-174.300000112T23 T27 S146 F148 Y153 I154T23-G150 VanDerWaalsContact CG2-CA 3.46Å; T27-G150 WeakPolarHBondContact CG2-O 3.36Å; T27-G150 WeakPolarHBondContact OG1-CA 3.48Å; S146-G150 PolarHBondContact O-N 3.35Å; F148-G150 PolarHBondContact O-N 2.93Å; G150-Y153 WeakPolarHBondContact O-CB 3.32Å; G150-Y153 PolarHBondContact O-N 3.05Å; G150-I154 PolarHBondContact O-N 2.9Å; G150-I154 VanDerWaalsContact O-N 3.14Å
151N88.9Confident84.5Confident0 Ų044.7 Ų44.70%024%0.236CC..Hα-helixtrans-70.2-32.2175.3-72.1-60.1000112.7N30 L147 Y153 I154 Y155 G285 I289N30-N151 PolarHBondContact ND2-ND2 3.43Å; N30-N151 PolarHBondContact ND2-OD1 2.94Å; L147-N151 VanDerWaalsContact O-CB 3.27Å; L147-N151 WeakPolarHBondContact O-CB 3.32Å; L147-N151 PolarHBondContact O-ND2 3.4Å; N151-Y153 VanDerWaalsContact C-N 3.34Å; N151-I154 PolarHBondContact O-N 3.15Å; N151-Y155 PolarHBondContact O-N 3.31Å; N151-G285 VanDerWaalsContact CB-O 3.29Å; N151-G285 WeakPolarHBondContact CB-O 3.1Å; N151-G285 WeakPolarHBondContact O-CA 3.26Å; N151-I289 HydrophobicContact CB-CG1 3.93Å
152L89.9Confident84Confident63 Ų6345.9 Ų45.933%0.3324%0.241SC..Hα-helixtrans-63.3-41.2171.5-179.962.6000111.6F148 F149 Y155 C156 I289F148-L152 HydrophobicContact CE1-CD2 3.98Å; F148-L152 HydrophobicContact CZ-CD2 4.23Å; F148-L152 WeakPolarHBondContact O-CB 3.42Å; F148-L152 PolarHBondContact O-N 3Å; F149-L152 PolarHBondContact O-N 3.06Å; L152-Y155 PolarHBondContact O-N 2.94Å; L152-C156 PolarHBondContact O-N 2.98Å; L152-C156 PolarHBondContact O-SG 3.04Å; L152-C156 VanDerWaalsContact O-SG 3.4Å; L152-I289 HydrophobicContact CB-CD1 4.08Å; L152-I289 HydrophobicContact CD1-CD1 4.4Å
153Y89.3Confident83.4Confident70 Ų7050 Ų5028%0.27526%0.259SS..Hα-helixtrans-60.4-45.9175.6175.4-112.9000111.6F149 G150 N151 Y155 C156 A157 V172 S175 L176F149-Y153 PolarHBondContact O-N 2.66Å; G150-Y153 WeakPolarHBondContact O-CB 3.32Å; G150-Y153 PolarHBondContact O-N 3.05Å; N151-Y153 VanDerWaalsContact C-N 3.34Å; Y153-Y155 PolarHBondContact O-N 3.46Å; Y153-C156 PolarHBondContact O-N 3.4Å; Y153-A157 VanDerWaalsContact O-CB 3.24Å; Y153-A157 WeakPolarHBondContact O-CB 3.39Å; Y153-A157 PolarHBondContact O-N 3.41Å; Y153-V172 HydrophobicContact CE1-CB 4.19Å; Y153-V172 HydrophobicContact CE1-CG1 4Å; Y153-V172 HydrophobicContact CE1-CG2 4.05Å; Y153-S175 VanDerWaalsContact OH-CB 3.25Å; Y153-S175 WeakPolarHBondContact OH-CB 3.26Å; Y153-S175 PolarHBondContact OH-OG 3.2Å; Y153-L176 HydrophobicContact CD1-CD2 4.02Å; Y153-L176 HydrophobicContact CD1-CG 4.45Å; Y153-L176 HydrophobicContact CE1-CD2 4.34Å; Y153-L176 HydrophobicContact CE1-CG 4.35Å
154I87.5Confident83Confident0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-60.9-45.1176.2-68.3-56.6000112.1T27 I31 G150 N151 C156 A157 W158 V172T27-I154 HydrophobicContact CG2-CB 4.45Å; T27-I154 HydrophobicContact CG2-CD1 3.83Å; T27-I154 HydrophobicContact CG2-CG1 3.17Å; I31-I154 HydrophobicContact CD1-CD1 3.58Å; I31-I154 HydrophobicContact CD1-CG1 4.2Å; I31-I154 HydrophobicContact CG2-CG1 4.33Å; I31-I154 HydrophobicContact CG2-CG2 4.02Å; G150-I154 PolarHBondContact O-N 2.9Å; G150-I154 VanDerWaalsContact O-N 3.14Å; N151-I154 PolarHBondContact O-N 3.15Å; I154-C156 PolarHBondContact O-N 3.48Å; I154-A157 PolarHBondContact O-N 3.18Å; I154-W158 HydrophobicContact CD1-CH2 4.47Å; I154-W158 HydrophobicContact CD1-CZ2 4.39Å; I154-W158 HydrophobicContact CG2-CD2 3.96Å; I154-W158 HydrophobicContact CG2-CE3 3.35Å; I154-W158 HydrophobicContact CG2-CH2 4.23Å; I154-W158 HydrophobicContact CG2-CZ3 3.51Å; I154-W158 PolarHBondContact O-N 3.13Å; I154-V172 HydrophobicContact CD1-CG1 3.45Å; I154-V172 VanDerWaalsContact CD1-CG1 3.45Å; I154-V172 HydrophobicContact CD1-CG2 4.49Å
155Y87.5Confident83Confident68 Ų6852.4 Ų52.427%0.26728%0.275SS..Hα-helixtrans-55.8-52.4176.9172.1-106.9000110.7N151 L152 Y153 A157 W158 H159 I286N151-Y155 PolarHBondContact O-N 3.31Å; L152-Y155 PolarHBondContact O-N 2.94Å; Y153-Y155 PolarHBondContact O-N 3.46Å; Y155-A157 VanDerWaalsContact C-N 3.34Å; Y155-A157 PolarHBondContact O-N 2.83Å; Y155-W158 PolarHBondContact O-N 3.38Å; Y155-H159 AromaticContact CE2-CD2 3.86Å; Y155-H159 AromaticContact CZ-CD2 3.6Å; Y155-H159 VanDerWaalsContact O-CB 3.27Å; Y155-H159 WeakPolarHBondContact O-CB 3.5Å; Y155-H159 PolarHBondContact O-N 2.9Å; Y155-H159 PolarHBondContact OH-CD2 3.06Å; Y155-I286 HydrophobicContact CD2-CD1 3.65Å; Y155-I286 HydrophobicContact CD2-CG1 3.53Å; Y155-I286 HydrophobicContact CE2-CD1 3.33Å; Y155-I286 HydrophobicContact CE2-CG1 3.8Å; Y155-I286 HydrophobicContact CG-CD1 4.45Å; Y155-I286 HydrophobicContact CG-CG1 4.03Å
156C87.1Confident82.9Confident84 Ų8452.3 Ų52.357%0.56828%0.278SS*.Hα-helixtrans-64.1-36.7179.5-67.60000113.1L152 Y153 I154L152-C156 PolarHBondContact O-N 2.98Å; L152-C156 PolarHBondContact O-SG 3.04Å; L152-C156 VanDerWaalsContact O-SG 3.4Å; Y153-C156 PolarHBondContact O-N 3.4Å; I154-C156 PolarHBondContact O-N 3.48Å
157A84.6Confident82.8Confident28 Ų2859.8 Ų59.823%0.23131%0.31CS..Hα-helixtrans-73-30.5-177.300000113.2Y153 I154 Y155 V172Y153-A157 VanDerWaalsContact O-CB 3.24Å; Y153-A157 WeakPolarHBondContact O-CB 3.39Å; Y153-A157 PolarHBondContact O-N 3.41Å; I154-A157 PolarHBondContact O-N 3.18Å; Y155-A157 VanDerWaalsContact C-N 3.34Å; Y155-A157 PolarHBondContact O-N 2.83Å; A157-V172 HydrophobicContact CB-CG2 3.78Å
158W83.3Confident82.9Confident0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-106.9-0.2-178.5-65.2-18.1000114.1I31 V35 I154 Y155 G160 H161 I164 K281I31-W158 HydrophobicContact CB-CH2 3.67Å; I31-W158 HydrophobicContact CB-CZ3 3.96Å; I31-W158 HydrophobicContact CD1-CH2 3.66Å; I31-W158 HydrophobicContact CD1-CZ2 4.16Å; I31-W158 HydrophobicContact CD1-CZ3 4.5Å; I31-W158 HydrophobicContact CG1-CH2 4.05Å; I31-W158 HydrophobicContact CG2-CH2 3.8Å; I31-W158 HydrophobicContact CG2-CZ3 3.66Å; V35-W158 HydrophobicContact CG2-CH2 3.64Å; V35-W158 HydrophobicContact CG2-CZ2 3.91Å; I154-W158 HydrophobicContact CD1-CH2 4.47Å; I154-W158 HydrophobicContact CD1-CZ2 4.39Å; I154-W158 HydrophobicContact CG2-CD2 3.96Å; I154-W158 HydrophobicContact CG2-CE3 3.35Å; I154-W158 HydrophobicContact CG2-CH2 4.23Å; I154-W158 HydrophobicContact CG2-CZ3 3.51Å; I154-W158 PolarHBondContact O-N 3.13Å; Y155-W158 PolarHBondContact O-N 3.38Å; W158-G160 PolarHBondContact O-N 3.2Å; W158-H161 PolarHBondContact O-N 3.46Å; W158-H161 VanDerWaalsContact O-N 3.07Å; W158-I164 HydrophobicContact CD2-CD1 4.1Å; W158-I164 HydrophobicContact CD2-CG1 4.32Å; W158-I164 HydrophobicContact CE3-CD1 4.23Å; W158-I164 HydrophobicContact CH2-CD1 3.84Å; W158-I164 HydrophobicContact CZ2-CD1 3.71Å; W158-I164 HydrophobicContact CZ2-CG1 4.4Å; W158-I164 HydrophobicContact CZ2-CG2 4.45Å; W158-I164 HydrophobicContact CZ3-CD1 4.12Å; W158-K281 HydrophobicContact CE3-CB 4.36Å
159H82.3Confident82.8Confident96 Ų9657.4 Ų57.444%0.44430%0.301SS..THydrogen-bonded Turntrans-61123.7176.8-173.8-80.3000110.9Y155 H161Y155-H159 AromaticContact CE2-CD2 3.86Å; Y155-H159 AromaticContact CZ-CD2 3.6Å; Y155-H159 VanDerWaalsContact O-CB 3.27Å; Y155-H159 WeakPolarHBondContact O-CB 3.5Å; Y155-H159 PolarHBondContact O-N 2.9Å; Y155-H159 PolarHBondContact OH-CD2 3.06Å; H159-H161 VanDerWaalsContact C-N 3.29Å; H159-H161 PolarHBondContact O-N 3.44Å
160G73.3Confident82.9Confident49 Ų4955 Ų5551%0.50529%0.291SS..THydrogen-bonded Turntrans800.6-177.200000115.2W158 D279W158-G160 PolarHBondContact O-N 3.2Å; G160-D279 WeakPolarHBondContact CA-OD1 3.17Å; G160-D279 PolarHBondContact N-OD1 3.01Å
161H73.9Confident83Confident76 Ų7658.9 Ų58.935%0.35232%0.315SS..  trans-101.8108.9179.1-74.9-118.4000111.3W158 H159 D168W158-H161 PolarHBondContact O-N 3.46Å; W158-H161 VanDerWaalsContact O-N 3.07Å; H159-H161 VanDerWaalsContact C-N 3.29Å; H159-H161 PolarHBondContact O-N 3.44Å; H161-D168 IonicContact CE1-OD1 3.79Å; H161-D168 IonicContact CE1-OD2 3.1Å; H161-D168 IonicContact ND1-OD2 3.77Å; H161-D168 PolarHBondContact ND1-OD2 3.31Å; H161-D168 VanDerWaalsContact ND1-OD2 3.1Å
162V69.1Low83Confident79 Ų7959 Ų5948%0.47932%0.315SS..SBendtrans-69.8-39.7177.4-175.70000111.7K281V162-K281 PolarHBondContact O-NZ 3Å; V162-K281 VanDerWaalsContact O-NZ 3.1Å
163H72.8Confident83.1Confident113 Ų11356 Ų5652%0.52330%0.3SS..SBendtrans-116134177.2-64.3-72.1000109.8T165H163-T165 PolarHBondContact O-N 3.36Å
164I78.5Confident83.2Confident10 Ų1056.7 Ų56.75%0.05131%0.307CS..  trans-80.4105.3175-61.8168.6000105.9W158 D168 R169 K281W158-I164 HydrophobicContact CD2-CD1 4.1Å; W158-I164 HydrophobicContact CD2-CG1 4.32Å; W158-I164 HydrophobicContact CE3-CD1 4.23Å; W158-I164 HydrophobicContact CH2-CD1 3.84Å; W158-I164 HydrophobicContact CZ2-CD1 3.71Å; W158-I164 HydrophobicContact CZ2-CG1 4.4Å; W158-I164 HydrophobicContact CZ2-CG2 4.45Å; W158-I164 HydrophobicContact CZ3-CD1 4.12Å; I164-D168 HydrophobicContact CG2-CB 4.43Å; I164-R169 HydrophobicContact CG2-CB 4.12Å; I164-K281 HydrophobicContact CD1-CD 3.82Å; I164-K281 HydrophobicContact CG1-CD 3.84Å
165T80.6Confident83.5Confident67 Ų6758.5 Ų58.541%0.41132%0.32SS..  trans-71.4158.3176.869.10000110.4H163 K167 D168 R169H163-T165 PolarHBondContact O-N 3.36Å; T165-K167 PolarHBondContact O-N 3.06Å; T165-D168 WeakPolarHBondContact CB-OD2 3.15Å; T165-D168 PolarHBondContact N-OD2 2.92Å; T165-D168 PolarHBondContact O-N 2.92Å; T165-D168 VanDerWaalsContact O-N 3.1Å; T165-D168 PolarHBondContact OG1-N 3.18Å; T165-D168 PolarHBondContact OG1-OD1 2.96Å; T165-D168 PolarHBondContact OG1-OD2 2.84Å; T165-R169 PolarHBondContact O-N 2.97Å
166D81.7Confident83.7Confident89 Ų8955.3 Ų55.348%0.47631%0.307SS..Hα-helixtrans-55.2-35.3174.1-73.8-41.1000112.1R169 Q170D166-R169 IonicContact OD1-CZ 3.6Å; D166-R169 IonicContact OD1-NH1 3.38Å; D166-R169 PolarHBondContact OD1-NH1 3.31Å; D166-R169 IonicContact OD1-NH2 2.77Å; D166-R169 PolarHBondContact OD1-NH2 3.44Å; D166-Q170 WeakPolarHBondContact O-CB 3.39Å; D166-Q170 WeakPolarHBondContact O-CG 3.46Å; D166-Q170 PolarHBondContact O-N 2.88Å
167K84.3Confident84Confident162 Ų16252.2 Ų52.270%0.70429%0.286SS*.Hα-helixtrans-65.9-47.5176.4-69.2-176.7179.3176.20111.4T165 R169 Q170 T171T165-K167 PolarHBondContact O-N 3.06Å; K167-R169 VanDerWaalsContact C-N 3.32Å; K167-R169 PolarHBondContact O-N 2.8Å; K167-Q170 PolarHBondContact O-N 3.45Å; K167-T171 WeakPolarHBondContact O-CB 3.5Å; K167-T171 PolarHBondContact O-N 3.19Å; K167-T171 PolarHBondContact O-OG1 3.1Å; K167-T171 VanDerWaalsContact O-OG1 3.05Å
168D83.4Confident84.5Confident35 Ų3554.7 Ų54.719%0.18730%0.298CS..Hα-helixtrans-60.7-44.3178.9-58-33.1000110.6H161 I164 T165 T171 V172H161-D168 IonicContact CE1-OD1 3.79Å; H161-D168 IonicContact CE1-OD2 3.1Å; H161-D168 IonicContact ND1-OD2 3.77Å; H161-D168 PolarHBondContact ND1-OD2 3.31Å; H161-D168 VanDerWaalsContact ND1-OD2 3.1Å; I164-D168 HydrophobicContact CG2-CB 4.43Å; T165-D168 WeakPolarHBondContact CB-OD2 3.15Å; T165-D168 PolarHBondContact N-OD2 2.92Å; T165-D168 PolarHBondContact O-N 2.92Å; T165-D168 VanDerWaalsContact O-N 3.1Å; T165-D168 PolarHBondContact OG1-N 3.18Å; T165-D168 PolarHBondContact OG1-OD1 2.96Å; T165-D168 PolarHBondContact OG1-OD2 2.84Å; D168-T171 PolarHBondContact O-N 3.3Å; D168-V172 WeakPolarHBondContact O-CG2 3.42Å; D168-V172 PolarHBondContact O-N 3.42Å
169R86.7Confident85Confident10 Ų1057.3 Ų57.34%0.03831%0.311CS..Hα-helixtrans-57.5-55173.7-177.1-177.569.2-110.9-5.3110.9V35 F93 I164 T165 D166 K167 T171 V172 F173V35-R169 VanDerWaalsContact CG1-CD 3.42Å; V35-R169 HydrophobicContact CG1-CG 3.88Å; F93-R169 PolarHBondContact O-NE 2.96Å; I164-R169 HydrophobicContact CG2-CB 4.12Å; T165-R169 PolarHBondContact O-N 2.97Å; D166-R169 IonicContact OD1-CZ 3.6Å; D166-R169 IonicContact OD1-NH1 3.38Å; D166-R169 PolarHBondContact OD1-NH1 3.31Å; D166-R169 IonicContact OD1-NH2 2.77Å; D166-R169 PolarHBondContact OD1-NH2 3.44Å; K167-R169 VanDerWaalsContact C-N 3.32Å; K167-R169 PolarHBondContact O-N 2.8Å; R169-T171 VanDerWaalsContact C-N 3.32Å; R169-T171 PolarHBondContact O-N 3.03Å; R169-V172 PolarHBondContact O-N 3.31Å; R169-F173 HydrophobicContact CG-CD2 3.59Å; R169-F173 HydrophobicContact CG-CE2 3.77Å; R169-F173 VanDerWaalsContact O-CD2 3.29Å; R169-F173 WeakPolarHBondContact O-CD2 3.41Å; R169-F173 PolarHBondContact O-N 3.18Å
170Q88.7Confident85.6Confident56 Ų5652.7 Ų52.726%0.26229%0.29SS..Hα-helixtrans-58-44.2-178.2-75.5177-8.700111.6I94 H95 D166 K167 V172 F173 I174I94-Q170 HydrophobicContact CG2-CG 3.98Å; H95-Q170 PolarHBondContact CE1-NE2 3.13Å; D166-Q170 WeakPolarHBondContact O-CB 3.39Å; D166-Q170 WeakPolarHBondContact O-CG 3.46Å; D166-Q170 PolarHBondContact O-N 2.88Å; K167-Q170 PolarHBondContact O-N 3.45Å; Q170-V172 PolarHBondContact O-N 3.48Å; Q170-F173 PolarHBondContact O-N 3.34Å; Q170-I174 HydrophobicContact CB-CD1 4.4Å; Q170-I174 VanDerWaalsContact O-CB 3.24Å; Q170-I174 WeakPolarHBondContact O-CB 2.96Å; Q170-I174 WeakPolarHBondContact O-CD1 3.45Å; Q170-I174 WeakPolarHBondContact O-CG1 3.29Å; Q170-I174 PolarHBondContact O-N 2.96Å
171T88.9Confident86.6Confident82 Ų8253.3 Ų53.350%0.50328%0.281SS..Hα-helixtrans-60.4-44.1177.7-61.90000112.2K167 D168 R169 S175K167-T171 WeakPolarHBondContact O-CB 3.5Å; K167-T171 PolarHBondContact O-N 3.19Å; K167-T171 PolarHBondContact O-OG1 3.1Å; K167-T171 VanDerWaalsContact O-OG1 3.05Å; D168-T171 PolarHBondContact O-N 3.3Å; R169-T171 VanDerWaalsContact C-N 3.32Å; R169-T171 PolarHBondContact O-N 3.03Å; T171-S175 WeakPolarHBondContact O-CB 3.22Å; T171-S175 PolarHBondContact O-N 3.37Å; T171-S175 VanDerWaalsContact O-N 3.07Å; T171-S175 PolarHBondContact O-OG 2.88Å
172V89.9Confident87.5Confident3 Ų353.1 Ų53.12%0.01829%0.285CS..Hα-helixtrans-62.1-53177.3165.70000110.9Y153 I154 A157 D168 R169 Q170 I174 S175 L176Y153-V172 HydrophobicContact CE1-CB 4.19Å; Y153-V172 HydrophobicContact CE1-CG1 4Å; Y153-V172 HydrophobicContact CE1-CG2 4.05Å; I154-V172 HydrophobicContact CD1-CG1 3.45Å; I154-V172 VanDerWaalsContact CD1-CG1 3.45Å; I154-V172 HydrophobicContact CD1-CG2 4.49Å; A157-V172 HydrophobicContact CB-CG2 3.78Å; D168-V172 WeakPolarHBondContact O-CG2 3.42Å; D168-V172 PolarHBondContact O-N 3.42Å; R169-V172 PolarHBondContact O-N 3.31Å; Q170-V172 PolarHBondContact O-N 3.48Å; V172-I174 PolarHBondContact O-N 3.35Å; V172-S175 PolarHBondContact O-N 3.46Å; V172-L176 HydrophobicContact CG1-CD1 3.97Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 WeakPolarHBondContact O-CG 3.42Å; V172-L176 PolarHBondContact O-N 3.38Å
173F91.4Very high88.5Confident0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-72.2-30.7-175.8-76-77000113.7C28 I31 V35 I90 F93 I94 R169 Q170 T177C28-F173 HydrophobicContact CB-CE1 4.26Å; I31-F173 HydrophobicContact CD1-CZ 3.98Å; I31-F173 HydrophobicContact CG1-CZ 4.36Å; V35-F173 HydrophobicContact CB-CE2 4.46Å; V35-F173 HydrophobicContact CG1-CE2 3.79Å; V35-F173 HydrophobicContact CG1-CZ 4.24Å; V35-F173 HydrophobicContact CG2-CE2 4.09Å; V35-F173 HydrophobicContact CG2-CZ 4.26Å; I90-F173 HydrophobicContact CG2-CD1 4.05Å; F93-F173 HydrophobicContact CB-CB 4.29Å; F93-F173 HydrophobicContact CB-CD1 3.38Å; F93-F173 HydrophobicContact CB-CD2 3.72Å; F93-F173 HydrophobicContact CB-CE1 3.46Å; F93-F173 VanDerWaalsContact CB-CE1 3.46Å; F93-F173 HydrophobicContact CB-CE2 3.82Å; F93-F173 HydrophobicContact CB-CG 3.51Å; F93-F173 HydrophobicContact CB-CZ 3.68Å; F93-F173 HydrophobicContact CD1-CE1 4.09Å; F93-F173 HydrophobicContact CD1-CE2 4.49Å; F93-F173 AromaticContact CD1-CZ 3.89Å; F93-F173 HydrophobicContact CD1-CZ 3.89Å; F93-F173 HydrophobicContact CD2-CD1 4.24Å; F93-F173 AromaticContact CD2-CE1 3.9Å; F93-F173 HydrophobicContact CD2-CE1 3.9Å; F93-F173 AromaticContact CG-CD1 3.94Å; F93-F173 HydrophobicContact CG-CD1 3.94Å; F93-F173 AromaticContact CG-CE1 3.54Å; F93-F173 HydrophobicContact CG-CE1 3.54Å; F93-F173 HydrophobicContact CG-CE2 4.38Å; F93-F173 HydrophobicContact CG-CG 4.49Å; F93-F173 AromaticContact CG-CZ 3.79Å; F93-F173 HydrophobicContact CG-CZ 3.79Å; I94-F173 HydrophobicContact CG1-CB 3.84Å; R169-F173 HydrophobicContact CG-CD2 3.59Å; R169-F173 HydrophobicContact CG-CE2 3.77Å; R169-F173 VanDerWaalsContact O-CD2 3.29Å; R169-F173 WeakPolarHBondContact O-CD2 3.41Å; R169-F173 PolarHBondContact O-N 3.18Å; Q170-F173 PolarHBondContact O-N 3.34Å; F173-T177 VanDerWaalsContact O-CB 3.27Å; F173-T177 WeakPolarHBondContact O-CB 3.37Å; F173-T177 PolarHBondContact O-N 2.96Å; F173-T177 PolarHBondContact O-OG1 3.47Å
174I92.8Very high89.4Confident83 Ų8344 Ų4443%0.42624%0.238SC..Hα-helixtrans-61.8-48169.6-71.9165.5000109.6I94 Q170 V172 T177 V178I94-I174 HydrophobicContact CD1-CG1 3.65Å; I94-I174 HydrophobicContact CG1-CG1 4.16Å; I94-I174 HydrophobicContact CG2-CG1 4.5Å; Q170-I174 HydrophobicContact CB-CD1 4.4Å; Q170-I174 VanDerWaalsContact O-CB 3.24Å; Q170-I174 WeakPolarHBondContact O-CB 2.96Å; Q170-I174 WeakPolarHBondContact O-CD1 3.45Å; Q170-I174 WeakPolarHBondContact O-CG1 3.29Å; Q170-I174 PolarHBondContact O-N 2.96Å; V172-I174 PolarHBondContact O-N 3.35Å; I174-T177 PolarHBondContact O-N 2.93Å; I174-V178 WeakPolarHBondContact O-CG2 3.35Å; I174-V178 PolarHBondContact O-N 3.21Å
175S92.3Very high90Very high39 Ų3949.2 Ų49.227%0.27326%0.26SS..Hα-helixtrans-63.1-46.1-179.7-60.90000111.7Y153 T171 V172 T177 V178 I179Y153-S175 VanDerWaalsContact OH-CB 3.25Å; Y153-S175 WeakPolarHBondContact OH-CB 3.26Å; Y153-S175 PolarHBondContact OH-OG 3.2Å; T171-S175 WeakPolarHBondContact O-CB 3.22Å; T171-S175 PolarHBondContact O-N 3.37Å; T171-S175 VanDerWaalsContact O-N 3.07Å; T171-S175 PolarHBondContact O-OG 2.88Å; V172-S175 PolarHBondContact O-N 3.46Å; S175-T177 VanDerWaalsContact C-N 3.34Å; S175-T177 PolarHBondContact O-N 2.94Å; S175-V178 PolarHBondContact O-N 2.99Å; S175-I179 VanDerWaalsContact O-CG1 3.28Å; S175-I179 WeakPolarHBondContact O-CG1 3.42Å; S175-I179 PolarHBondContact O-N 3.01Å
176L92.5Very high90.4Very high1 Ų147.8 Ų47.81%0.00525%0.25CS..Hα-helixtrans-62.9-37.8175.9-68.3-177.8000112.4A24 T27 I90 Y153 V172 I179 S180A24-L176 HydrophobicContact CB-CB 3.99Å; A24-L176 HydrophobicContact CB-CD2 4.45Å; A24-L176 VanDerWaalsContact CB-O 3.28Å; A24-L176 WeakPolarHBondContact CB-O 3.4Å; T27-L176 HydrophobicContact CG2-CD1 4.12Å; I90-L176 HydrophobicContact CG2-CB 3.97Å; Y153-L176 HydrophobicContact CD1-CD2 4.02Å; Y153-L176 HydrophobicContact CD1-CG 4.45Å; Y153-L176 HydrophobicContact CE1-CD2 4.34Å; Y153-L176 HydrophobicContact CE1-CG 4.35Å; V172-L176 HydrophobicContact CG1-CD1 3.97Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 WeakPolarHBondContact O-CG 3.42Å; V172-L176 PolarHBondContact O-N 3.38Å; L176-I179 PolarHBondContact O-N 3.07Å; L176-S180 WeakPolarHBondContact O-CB 3.08Å; L176-S180 PolarHBondContact O-N 3.4Å
177T93.9Very high90.7Very high18 Ų1843.6 Ų43.611%0.1123%0.227CC..Hα-helixtrans-63.3-45.7175.1-59.50000111.1A91 F173 I174 S175 I179 S180 L181A91-T177 HydrophobicContact CB-CG2 4.02Å; F173-T177 VanDerWaalsContact O-CB 3.27Å; F173-T177 WeakPolarHBondContact O-CB 3.37Å; F173-T177 PolarHBondContact O-N 2.96Å; F173-T177 PolarHBondContact O-OG1 3.47Å; I174-T177 PolarHBondContact O-N 2.93Å; S175-T177 VanDerWaalsContact C-N 3.34Å; S175-T177 PolarHBondContact O-N 2.94Å; T177-I179 PolarHBondContact O-N 3.49Å; T177-S180 PolarHBondContact O-N 2.91Å; T177-L181 HydrophobicContact CG2-CD1 4.21Å; T177-L181 WeakPolarHBondContact O-CG 3.43Å; T177-L181 PolarHBondContact O-N 3.37Å
178V94.4Very high90.8Very high81 Ų8140.6 Ų40.649%0.49122%0.215SC..Hα-helixtrans-61.3-44.9177.4172.10000110.9I174 S175 S180 L181 V182I174-V178 WeakPolarHBondContact O-CG2 3.35Å; I174-V178 PolarHBondContact O-N 3.21Å; S175-V178 PolarHBondContact O-N 2.99Å; V178-S180 VanDerWaalsContact C-N 3.34Å; V178-S180 PolarHBondContact O-N 3.3Å; V178-L181 PolarHBondContact O-N 2.67Å; V178-V182 WeakPolarHBondContact O-CG2 3.34Å; V178-V182 PolarHBondContact O-N 3.07Å
179I93.6Very high90.9Very high54 Ų5443.8 Ų43.828%0.27723%0.231SC..Hα-helixtrans-60.5-44.6177-67.3164.9000110.9F20 S175 L176 T177 L181 V182 G183F20-I179 HydrophobicContact CB-CG2 4.13Å; F20-I179 HydrophobicContact CD1-CG2 3.8Å; F20-I179 HydrophobicContact CG-CG2 4.41Å; S175-I179 VanDerWaalsContact O-CG1 3.28Å; S175-I179 WeakPolarHBondContact O-CG1 3.42Å; S175-I179 PolarHBondContact O-N 3.01Å; L176-I179 PolarHBondContact O-N 3.07Å; T177-I179 PolarHBondContact O-N 3.49Å; I179-L181 PolarHBondContact O-N 2.93Å; I179-V182 WeakPolarHBondContact O-CB 3.29Å; I179-V182 PolarHBondContact O-N 3.03Å; I179-G183 PolarHBondContact O-N 2.99Å; I179-G183 VanDerWaalsContact O-N 3.08Å
180S94.1Very high90.8Very high0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-61.2-43.3176.9-177.10000112.2S87 L176 T177 V178 V182 G183 C184S87-S180 WeakPolarHBondContact OG-CB 3.27Å; S87-S180 PolarHBondContact OG-OG 3.45Å; L176-S180 WeakPolarHBondContact O-CB 3.08Å; L176-S180 PolarHBondContact O-N 3.4Å; T177-S180 PolarHBondContact O-N 2.91Å; V178-S180 VanDerWaalsContact C-N 3.34Å; V178-S180 PolarHBondContact O-N 3.3Å; S180-V182 PolarHBondContact O-N 3.5Å; S180-G183 WeakPolarHBondContact O-CA 3.29Å; S180-G183 PolarHBondContact O-N 2.85Å; S180-G183 VanDerWaalsContact O-N 3.16Å; S180-C184 PolarHBondContact O-N 3.5Å
181L94.4Very high90.2Very high62 Ų6248.7 Ų48.733%0.32525%0.248SC..Hα-helixtrans-62.9-41.1176.7-73.4172.5000111.7T177 V178 I179 G183 C184 F185T177-L181 HydrophobicContact CG2-CD1 4.21Å; T177-L181 WeakPolarHBondContact O-CG 3.43Å; T177-L181 PolarHBondContact O-N 3.37Å; V178-L181 PolarHBondContact O-N 2.67Å; I179-L181 PolarHBondContact O-N 2.93Å; L181-G183 VanDerWaalsContact C-N 3.31Å; L181-G183 PolarHBondContact O-N 3.37Å; L181-C184 VanDerWaalsContact O-CB 3.29Å; L181-C184 WeakPolarHBondContact O-CB 3.22Å; L181-C184 PolarHBondContact O-N 3.02Å; L181-C184 VanDerWaalsContact O-N 3.12Å; L181-F185 WeakPolarHBondContact O-CD2 3.45Å; L181-F185 PolarHBondContact O-N 3.21Å
182V93.3Very high89.3Confident72 Ų7252.7 Ų52.744%0.43626%0.258SS..Hα-helixtrans-56.7-47.4173171.80000110.3V178 I179 S180 C184 F185 L186V178-V182 WeakPolarHBondContact O-CG2 3.34Å; V178-V182 PolarHBondContact O-N 3.07Å; I179-V182 WeakPolarHBondContact O-CB 3.29Å; I179-V182 PolarHBondContact O-N 3.03Å; S180-V182 PolarHBondContact O-N 3.5Å; V182-C184 VanDerWaalsContact C-N 3.3Å; V182-C184 PolarHBondContact O-N 3.37Å; V182-F185 PolarHBondContact O-N 3.25Å; V182-L186 WeakPolarHBondContact O-CG 3.17Å; V182-L186 PolarHBondContact O-N 3.09Å; V182-L186 VanDerWaalsContact O-N 3.1Å
183G90.7Very high87.8Confident0 Ų055.5 Ų55.50%028%0.276CS..Hα-helixtrans-56.2-42.7174.200000113.3I179 S180 L181 L186I179-G183 PolarHBondContact O-N 2.99Å; I179-G183 VanDerWaalsContact O-N 3.08Å; S180-G183 WeakPolarHBondContact O-CA 3.29Å; S180-G183 PolarHBondContact O-N 2.85Å; S180-G183 VanDerWaalsContact O-N 3.16Å; L181-G183 VanDerWaalsContact C-N 3.31Å; L181-G183 PolarHBondContact O-N 3.37Å; G183-L186 WeakPolarHBondContact O-CB 3.45Å; G183-L186 PolarHBondContact O-N 2.79Å
184C90.5Very high85.9Confident0 Ų060.1 Ų60.10%030%0.301CS..Hα-helixtrans-61-46.2177.5-1710000112.3F80 G83 S180 L181 V182 L186 F187F80-C184 WeakPolarHBondContact CD2-SG 3.14Å; F80-C184 VanDerWaalsContact CE2-SG 3.55Å; F80-C184 PolarHBondContact O-SG 3.47Å; G83-C184 VanDerWaalsContact C-SG 3.59Å; S180-C184 PolarHBondContact O-N 3.5Å; L181-C184 VanDerWaalsContact O-CB 3.29Å; L181-C184 WeakPolarHBondContact O-CB 3.22Å; L181-C184 PolarHBondContact O-N 3.02Å; L181-C184 VanDerWaalsContact O-N 3.12Å; V182-C184 VanDerWaalsContact C-N 3.3Å; V182-C184 PolarHBondContact O-N 3.37Å; C184-L186 VanDerWaalsContact C-N 3.31Å; C184-L186 PolarHBondContact O-N 2.91Å; C184-F187 WeakPolarHBondContact O-CB 3.47Å; C184-F187 WeakPolarHBondContact O-CD2 3.48Å; C184-F187 PolarHBondContact O-N 3.25Å
185F91.4Very high83.7Confident119 Ų11961.6 Ų61.652%0.52232%0.316SS..Hα-helixtrans-69.6-26178.8-76.8-74.3000113.3F80 L181 V182 F187 F188F80-F185 HydrophobicContact CE2-CD1 4.04Å; F80-F185 AromaticContact CE2-CE1 3.95Å; F80-F185 HydrophobicContact CE2-CE1 3.95Å; F80-F185 HydrophobicContact CE2-CZ 4.38Å; F80-F185 HydrophobicContact CZ-CE1 4.17Å; L181-F185 WeakPolarHBondContact O-CD2 3.45Å; L181-F185 PolarHBondContact O-N 3.21Å; V182-F185 PolarHBondContact O-N 3.25Å; F185-F187 PolarHBondContact O-N 3.02Å; F185-F188 HydrophobicContact CD1-CD2 4.07Å; F185-F188 HydrophobicContact CD1-CE2 4.13Å; F185-F188 HydrophobicContact CE1-CE2 4.44Å; F185-F188 PolarHBondContact O-N 3.12Å; F185-F188 VanDerWaalsContact O-N 3.09Å
186L89.3Confident81.2Confident38 Ų3867.2 Ų67.220%0.19934%0.343CS..Hα-helixtrans-61.3-25.1174.1-71.1173.9000112.6I13 F16 F20 V182 G183 C184 F188 L189I13-L186 WeakPolarHBondContact CG2-O 3.45Å; F16-L186 HydrophobicContact CB-CD1 4.34Å; F20-L186 HydrophobicContact CD2-CD1 3.52Å; F20-L186 HydrophobicContact CE2-CD1 3.73Å; V182-L186 WeakPolarHBondContact O-CG 3.17Å; V182-L186 PolarHBondContact O-N 3.09Å; V182-L186 VanDerWaalsContact O-N 3.1Å; G183-L186 WeakPolarHBondContact O-CB 3.45Å; G183-L186 PolarHBondContact O-N 2.79Å; C184-L186 VanDerWaalsContact C-N 3.31Å; C184-L186 PolarHBondContact O-N 2.91Å; L186-F188 PolarHBondContact O-N 3.37Å; L186-L189 HydrophobicContact CD2-CD1 3.62Å; L186-L189 WeakPolarHBondContact O-CB 3.26Å; L186-L189 PolarHBondContact O-N 2.95Å
187F87.5Confident78.6Confident0 Ų069.8 Ų69.80%036%0.361CS..G310 helixtrans-63.1-24.4175.7-61-40.2000113.2L14 F18 M21 Q76 M79 L115 C184 F185 L189 I190L14-F187 HydrophobicContact CD1-CE1 4.34Å; F18-F187 AromaticContact CD2-CE1 3.73Å; F18-F187 HydrophobicContact CD2-CE1 3.73Å; F18-F187 AromaticContact CD2-CZ 3.78Å; F18-F187 HydrophobicContact CD2-CZ 3.78Å; F18-F187 AromaticContact CE2-CE1 3.92Å; F18-F187 HydrophobicContact CE2-CE1 3.92Å; F18-F187 AromaticContact CE2-CZ 3.83Å; F18-F187 HydrophobicContact CE2-CZ 3.83Å; M21-F187 HydrophobicContact CE-CE2 3.99Å; M21-F187 HydrophobicContact CE-CZ 3.68Å; M21-F187 HydrophobicContact SD-CE2 4.31Å; Q76-F187 WeakPolarHBondContact CG-O 3.48Å; Q76-F187 PolarHBondContact NE2-O 3.33Å; M79-F187 HydrophobicContact CB-CB 4.46Å; M79-F187 HydrophobicContact CB-CD1 4.49Å; M79-F187 HydrophobicContact CB-CD2 3.78Å; M79-F187 HydrophobicContact CB-CE2 4.08Å; M79-F187 HydrophobicContact CB-CG 4.01Å; M79-F187 HydrophobicContact SD-CD1 4.4Å; M79-F187 HydrophobicContact SD-CE1 4.5Å; L115-F187 HydrophobicContact CD1-CE2 4.38Å; C184-F187 WeakPolarHBondContact O-CB 3.47Å; C184-F187 WeakPolarHBondContact O-CD2 3.48Å; C184-F187 PolarHBondContact O-N 3.25Å; F185-F187 PolarHBondContact O-N 3.02Å; F187-L189 PolarHBondContact O-N 3Å; F187-I190 HydrophobicContact CB-CD1 4.5Å; F187-I190 HydrophobicContact CD1-CD1 4.02Å; F187-I190 WeakPolarHBondContact O-CB 3.19Å; F187-I190 PolarHBondContact O-N 2.91Å
188F87.5Confident75.9Confident99 Ų9974 Ų7443%0.43439%0.391SS..G310 helixtrans-69.9-20.8172.7-71.9-60.2000113.7Q76 F80 F185 L186 I190Q76-F188 VanDerWaalsContact NE2-CA 3.32Å; Q76-F188 PolarHBondContact NE2-O 3.46Å; Q76-F188 VanDerWaalsContact NE2-O 3.16Å; F80-F188 HydrophobicContact CB-CZ 4.21Å; F80-F188 HydrophobicContact CD1-CE2 4.02Å; F80-F188 AromaticContact CD1-CZ 3.56Å; F80-F188 HydrophobicContact CD1-CZ 3.56Å; F80-F188 HydrophobicContact CD2-CD2 4.01Å; F80-F188 AromaticContact CD2-CE2 3.26Å; F80-F188 HydrophobicContact CD2-CE2 3.26Å; F80-F188 AromaticContact CD2-CZ 3.63Å; F80-F188 HydrophobicContact CD2-CZ 3.63Å; F80-F188 AromaticContact CE1-CE2 3.94Å; F80-F188 HydrophobicContact CE1-CE2 3.94Å; F80-F188 AromaticContact CE1-CZ 3.71Å; F80-F188 HydrophobicContact CE1-CZ 3.71Å; F80-F188 HydrophobicContact CE2-CD2 4.12Å; F80-F188 AromaticContact CE2-CE2 3.22Å; F80-F188 HydrophobicContact CE2-CE2 3.22Å; F80-F188 AromaticContact CE2-CZ 3.83Å; F80-F188 HydrophobicContact CE2-CZ 3.83Å; F80-F188 HydrophobicContact CG-CE1 4.33Å; F80-F188 AromaticContact CG-CE2 3.69Å; F80-F188 HydrophobicContact CG-CE2 3.69Å; F80-F188 AromaticContact CG-CZ 3.5Å; F80-F188 HydrophobicContact CG-CZ 3.5Å; F80-F188 VanDerWaalsContact CG-CZ 3.5Å; F80-F188 AromaticContact CZ-CE2 3.56Å; F80-F188 HydrophobicContact CZ-CE2 3.56Å; F80-F188 AromaticContact CZ-CZ 3.84Å; F80-F188 HydrophobicContact CZ-CZ 3.84Å; F185-F188 HydrophobicContact CD1-CD2 4.07Å; F185-F188 HydrophobicContact CD1-CE2 4.13Å; F185-F188 HydrophobicContact CE1-CE2 4.44Å; F185-F188 PolarHBondContact O-N 3.12Å; F185-F188 VanDerWaalsContact O-N 3.09Å; L186-F188 PolarHBondContact O-N 3.37Å; F188-I190 VanDerWaalsContact C-N 3.26Å; F188-I190 PolarHBondContact O-N 2.97Å
189L86.2Confident73.1Confident102 Ų10274.5 Ų74.553%0.53440%0.398SS..G310 helixtrans-78.4-12.4177.4-57.5-180000112.8I13 L186 F187 R191I13-L189 HydrophobicContact CD1-CB 4.19Å; I13-L189 HydrophobicContact CG2-CB 3.99Å; L186-L189 HydrophobicContact CD2-CD1 3.62Å; L186-L189 WeakPolarHBondContact O-CB 3.26Å; L186-L189 PolarHBondContact O-N 2.95Å; F187-L189 PolarHBondContact O-N 3Å; L189-R191 PolarHBondContact O-N 2.91Å
190I83.4Confident70.5Confident9 Ų973.5 Ų73.55%0.04640%0.402CS..SBendtrans-66.7115.9173.7-59.2174.6000108.1N10 I13 L14 Q76 M79 V122 F187 F188N10-I190 HydrophobicContact CB-CG2 4.31Å; I13-I190 HydrophobicContact CB-CG1 4.41Å; I13-I190 HydrophobicContact CG2-CG1 3.74Å; L14-I190 HydrophobicContact CB-CD1 4.15Å; L14-I190 HydrophobicContact CD1-CD1 3.94Å; Q76-I190 PolarHBondContact NE2-O 2.84Å; M79-I190 HydrophobicContact CE-CD1 3.7Å; V122-I190 HydrophobicContact CG1-CG2 4.22Å; F187-I190 HydrophobicContact CB-CD1 4.5Å; F187-I190 HydrophobicContact CD1-CD1 4.02Å; F187-I190 WeakPolarHBondContact O-CB 3.19Å; F187-I190 PolarHBondContact O-N 2.91Å; F188-I190 VanDerWaalsContact C-N 3.26Å; F188-I190 PolarHBondContact O-N 2.97Å
191R76.5Confident67.6Low160 Ų16077.2 Ų77.260%0.60443%0.427SS*.PPolyproline II helixtrans-79.8134.3-178.5-68.4-177.8-178.8-177.2-0.3110.2N10 L189N10-R191 PolarHBondContact ND2-O 3.23Å; N10-R191 PolarHBondContact OD1-N 3.4Å; L189-R191 PolarHBondContact O-N 2.91Å
192K70Confident64.8Low167 Ų16780.5 Ų80.573%0.72644%0.441SS*.PPolyproline II helixtrans-60.5136.8167.1-67.8-175.2179.8-179.40109.1
193P59.2Low62.1Low61 Ų6178.9 Ų78.940%0.39644%0.436SS..PPolyproline II helixtrans-59.2143.1173-16.627.2000110.7I125I125-P193 HydrophobicContact CG2-CG 3.45Å; I125-P193 VanDerWaalsContact CG2-CG 3.45Å
194D50.3Low59.6Low97 Ų9781.4 Ų81.452%0.51945%0.451SS..PPolyproline II helixtrans-62.4134.5176.4-67.1-44.5000109.4K6 D196 S197K6-D194 IonicContact NZ-OD2 3.61Å; K6-D194 PolarHBondContact NZ-OD2 3.23Å; K6-D194 VanDerWaalsContact NZ-OD2 3.09Å; D194-D196 PolarHBondContact O-N 3.3Å; D194-S197 PolarHBondContact O-N 3.06Å; D194-S197 PolarHBondContact O-OG 3.42Å
195P47.2Very low57.1Low114 Ų11484.5 Ų84.574%0.7447%0.465SS*.THydrogen-bonded Turntrans-63.2-14.9-171.121.4-31.3000115S197P195-S197 PolarHBondContact O-N 2.65Å
196D39.1Very low54.2Low158 Ų15881.2 Ų81.285%0.84546%0.457SS*.THydrogen-bonded Turntrans-83.610.2-179.8-61.4-30.4000114.1D194D194-D196 PolarHBondContact O-N 3.3Å
197S38.3Very low51.8Low55 Ų5584.7 Ų84.739%0.38548%0.475SS..  trans-107.244.6171.4590000111.7D194 P195 S199 G200D194-S197 PolarHBondContact O-N 3.06Å; D194-S197 PolarHBondContact O-OG 3.42Å; P195-S197 PolarHBondContact O-N 2.65Å; S197-S199 PolarHBondContact O-N 3.3Å; S197-G200 PolarHBondContact O-N 2.95Å
198S36.8Very low49.4Very low106 Ų10689.9 Ų89.974%0.74150%0.503SS*.THydrogen-bonded Turntrans-70.155.2173.461.50000112.6
199S35.7Very low46.8Very low91 Ų9191.2 Ų91.264%0.63651%0.51SS*.THydrogen-bonded Turntrans-128.6-1.7160.754.90000111.8S197S197-S199 PolarHBondContact O-N 3.3Å
200G38.2Very low44.2Very low34 Ų3491.4 Ų91.435%0.35152%0.516SS..SBendtrans-96.3-18177.800000115.3S197 E202 A203S197-G200 PolarHBondContact O-N 2.95Å; G200-E202 PolarHBondContact O-N 3.41Å; G200-A203 PolarHBondContact O-N 2.89Å; G200-A203 VanDerWaalsContact O-N 3.1Å
201S34.9Very low41.9Very low77 Ų7799 Ų9954%0.53855%0.551SS.*Hα-helixtrans-63.2-37.4169.1-166.90000109.9A203 T204 E205S201-A203 PolarHBondContact O-N 3.49Å; S201-T204 PolarHBondContact O-N 3.2Å; S201-E205 PolarHBondContact O-N 3.47Å; S201-E205 VanDerWaalsContact O-N 3.11Å
202E35Very low39.7Very low132 Ų13297 Ų9762%0.61756%0.562SS**Hα-helixtrans-66.5-17.4172.6-72.1-175.7173.400113.6G200 E205 S206G200-E202 PolarHBondContact O-N 3.41Å; E202-E205 CarbonylContact O-C 3.59Å; E202-S206 WeakPolarHBondContact O-CA 3.12Å; E202-S206 WeakPolarHBondContact O-CB 3.38Å; E202-S206 PolarHBondContact O-N 2.89Å; E202-S206 PolarHBondContact O-OG 3.21Å; E202-S206 VanDerWaalsContact O-OG 3.11Å
203A36.2Very low37.6Very low38 Ų3893 Ų9331%0.31457%0.568SS.*Hα-helixtrans-84.6-27.6179.700000112.9G200 S201 S206 L207G200-A203 PolarHBondContact O-N 2.89Å; G200-A203 VanDerWaalsContact O-N 3.1Å; S201-A203 PolarHBondContact O-N 3.49Å; A203-S206 WeakPolarHBondContact CA-OG 3.29Å; A203-S206 PolarHBondContact O-OG 3.37Å; A203-L207 WeakPolarHBondContact O-CG 3.45Å; A203-L207 PolarHBondContact O-N 3.36Å
204T38.7Very low36Very low53 Ų5398 Ų9833%0.32559%0.591SS.*Hα-helixtrans-81.4-32169-51.40000110.2S201S201-T204 PolarHBondContact O-N 3.2Å
205E37.2Very low35Very low64 Ų6496.1 Ų96.130%0.29960%0.595SS.*Hα-helixtrans-70.9-35.7168.2-84.3174.2145.800112.5S201 E202 L208 Q209S201-E205 PolarHBondContact O-N 3.47Å; S201-E205 VanDerWaalsContact O-N 3.11Å; E202-E205 CarbonylContact O-C 3.59Å; E205-L208 CarbonylContact O-C 3.59Å; E205-L208 VanDerWaalsContact O-C 3.26Å; E205-L208 WeakPolarHBondContact O-CA 3.34Å; E205-L208 PolarHBondContact O-N 2.96Å; E205-Q209 WeakPolarHBondContact O-CA 3.46Å; E205-Q209 WeakPolarHBondContact O-CB 3.3Å; E205-Q209 WeakPolarHBondContact O-CG 3.48Å; E205-Q209 PolarHBondContact O-N 3.03Å
206S31.2Very low34.1Very low51 Ų5196.5 Ų96.536%0.35760%0.6SS.*Hα-helixtrans-75.6-29.9-17870.90000113.2E202 A203 L208 Q209 T210E202-S206 WeakPolarHBondContact O-CA 3.12Å; E202-S206 WeakPolarHBondContact O-CB 3.38Å; E202-S206 PolarHBondContact O-N 2.89Å; E202-S206 PolarHBondContact O-OG 3.21Å; E202-S206 VanDerWaalsContact O-OG 3.11Å; A203-S206 WeakPolarHBondContact CA-OG 3.29Å; A203-S206 PolarHBondContact O-OG 3.37Å; S206-L208 PolarHBondContact O-N 2.98Å; S206-Q209 PolarHBondContact O-N 3.47Å; S206-T210 PolarHBondContact O-N 3.29Å; S206-T210 PolarHBondContact O-OG1 2.85Å
207L38.5Very low34Very low110 Ų11095.5 Ų95.558%0.57660%0.6SS**Hα-helixtrans-70.2-9.5167.5-73.2168.7000112.8A203A203-L207 WeakPolarHBondContact O-CG 3.45Å; A203-L207 PolarHBondContact O-N 3.36Å
208L37.3Very low33.5Very low110 Ų110100 Ų10058%0.57662%0.62SS**Hα-helixtrans-115.2-6.3173.5-72.3168.6000113.8E205 S206E205-L208 CarbonylContact O-C 3.59Å; E205-L208 VanDerWaalsContact O-C 3.26Å; E205-L208 WeakPolarHBondContact O-CA 3.34Å; E205-L208 PolarHBondContact O-N 2.96Å; S206-L208 PolarHBondContact O-N 2.98Å
209Q32.5Very low33.6Very low126 Ų126100.9 Ų100.959%0.58963%0.626SS**Hα-helixtrans-127.213.2-172.3-71.6-178.213.400114.5E205 S206 E211E205-Q209 WeakPolarHBondContact O-CA 3.46Å; E205-Q209 WeakPolarHBondContact O-CB 3.3Å; E205-Q209 WeakPolarHBondContact O-CG 3.48Å; E205-Q209 PolarHBondContact O-N 3.03Å; S206-Q209 PolarHBondContact O-N 3.47Å; Q209-E211 VanDerWaalsContact C-N 3.25Å; Q209-E211 PolarHBondContact O-N 3.48Å
210T31.5Very low33.6Very low106 Ų106101.7 Ų101.765%0.6563%0.632SS**  trans-82.276.5172.9-47.60000110.1S206S206-T210 PolarHBondContact O-N 3.29Å; S206-T210 PolarHBondContact O-OG1 2.85Å
211E36Very low33.5Very low169 Ų169105.3 Ų105.379%0.7965%0.651SS**  trans171.889.5138.5-94.6-169.6161.800111.4Q209Q209-E211 VanDerWaalsContact C-N 3.25Å; Q209-E211 PolarHBondContact O-N 3.48Å
212S28.9Very low34Very low119 Ų119111.9 Ų111.983%0.83266%0.664SS**  trans-158.786.9148.844.40000108.9
213G26.1Very low34.8Very low82 Ų82109.2 Ų109.285%0.84566%0.659SS**  trans-89.2111.6159.500000108.6
214D26Very low36.2Very low165 Ų165112.6 Ų112.688%0.88267%0.671SS**  -170.6144.1112.4-144.6-6.6000111.2
215G29.8Very low37.3Very low58 Ų58113.3 Ų113.360%0.59867%0.673SS**  trans45.5116.9154.600000122.2
216S27.7Very low38.4Very low122 Ų122114.1 Ų114.185%0.85369%0.685SS**  trans94.8127.7145.175.60000119.6D218S216-D218 PolarHBondContact O-N 3.31Å
217T37.3Very low40.3Very low138 Ų138114.9 Ų114.985%0.84769%0.687SS**  trans-43.4118.7170.724.30000113.4
218D28.5Very low41.8Very low150 Ų150113.2 Ų113.280%0.80268%0.676SS**  trans-152.3131.8143.1-109.7-20.7000111.3S216 S220S216-D218 PolarHBondContact O-N 3.31Å; D218-S220 PolarHBondContact O-N 3.41Å; D218-S220 VanDerWaalsContact O-N 3.1Å
219S39.3Very low43.2Very low123 Ų123108.9 Ų108.986%0.8666%0.657SS**  trans-62.4104.4174.150.70000110
220S33.8Very low45.3Very low109 Ų109107.9 Ų107.976%0.76266%0.655SS**  trans-116.5130.7175.9540000111.7D218D218-S220 PolarHBondContact O-N 3.41Å; D218-S220 VanDerWaalsContact O-N 3.1Å
221S37.8Very low47.6Very low109 Ų109107.2 Ų107.276%0.76265%0.647SS**  trans-45.3135.1174.344.50000112.8
222R44.1Very low49.4Very low216 Ų216101 Ų10182%0.81563%0.625SS**  trans-44.1123.5168.1-76.7-178.7172.2166.8-1.6109.4D224R222-D224 PolarHBondContact O-N 3.13Å
223P51.7Low51.8Low76 Ų7699.4 Ų99.449%0.49460%0.603SS.*  trans-57.7140.2176-8.214.6000109.3L225 Q228P223-L225 PolarHBondContact O-N 3.04Å; P223-Q228 HydrophobicContact CB-CG 4.13Å
224D65.9Low54.6Low109 Ų10999.4 Ų99.458%0.58359%0.586SS**  trans-57.9133.2176.4-175.527.6000109.7R222 C226 T227 Q228R222-D224 PolarHBondContact O-N 3.13Å; D224-C226 PolarHBondContact O-N 3.01Å; D224-C226 VanDerWaalsContact O-N 3.13Å; D224-T227 WeakPolarHBondContact O-CA 3.42Å; D224-T227 VanDerWaalsContact O-CB 3.22Å; D224-T227 WeakPolarHBondContact O-CB 3.43Å; D224-T227 PolarHBondContact O-N 3.08Å; D224-Q228 PolarHBondContact O-N 3.47Å
225L61.4Low57.3Low67 Ų6794.6 Ų94.635%0.35156%0.558SS.*Hα-helixtrans-56.4-33.3-174.117572.7000112.3T71 P223 T227 Q228 A229T71-L225 HydrophobicContact CG2-CD1 3.79Å; T71-L225 WeakPolarHBondContact OG1-CD1 3.43Å; T71-L225 WeakPolarHBondContact OG1-CD2 3.46Å; P223-L225 PolarHBondContact O-N 3.04Å; L225-T227 VanDerWaalsContact C-N 3.31Å; L225-Q228 PolarHBondContact O-N 3.07Å; L225-A229 PolarHBondContact O-N 3.26Å
226C60.7Low59.9Low82 Ų8292.4 Ų92.455%0.55454%0.535SS*.Hα-helixtrans-64.3-37.9174.8-163.90000111.6D224 A229 L230D224-C226 PolarHBondContact O-N 3.01Å; D224-C226 VanDerWaalsContact O-N 3.13Å; C226-A229 PolarHBondContact O-N 3.26Å; C226-L230 VanDerWaalsContact O-CB 3.32Å; C226-L230 WeakPolarHBondContact O-CB 3.35Å; C226-L230 PolarHBondContact O-N 3.23Å
227T72.4Confident62.7Low66 Ų6689.1 Ų89.141%0.40551%0.511SS..Hα-helixtrans-67.4-41.6177-47.80000110.7D224 L225 L230 D231D224-T227 WeakPolarHBondContact O-CA 3.42Å; D224-T227 VanDerWaalsContact O-CB 3.22Å; D224-T227 WeakPolarHBondContact O-CB 3.43Å; D224-T227 PolarHBondContact O-N 3.08Å; L225-T227 VanDerWaalsContact C-N 3.31Å; T227-L230 WeakPolarHBondContact O-CB 3.42Å; T227-L230 PolarHBondContact O-N 3.24Å; T227-D231 WeakPolarHBondContact O-CB 3.27Å; T227-D231 VanDerWaalsContact O-CG 3.25Å; T227-D231 PolarHBondContact O-N 2.96Å
228Q69.1Low65.1Low75 Ų7591.9 Ų91.935%0.3551%0.506SS..Hα-helixtrans-65-40.7175.7-65.2-177.216.600113P223 D224 L225 L230 D231 A232P223-Q228 HydrophobicContact CB-CG 4.13Å; D224-Q228 PolarHBondContact O-N 3.47Å; L225-Q228 PolarHBondContact O-N 3.07Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; Q228-D231 PolarHBondContact O-N 3.13Å; Q228-A232 WeakPolarHBondContact O-CB 3.37Å; Q228-A232 PolarHBondContact O-N 3.31Å
229A67.6Low67.9Low20 Ų2085.1 Ų85.117%0.16547%0.47CS..Hα-helixtrans-65.7-39.9175.900000111.5S68 L225 C226 F233S68-A229 WeakPolarHBondContact OG-CB 3.26Å; L225-A229 PolarHBondContact O-N 3.26Å; C226-A229 PolarHBondContact O-N 3.26Å; A229-F233 WeakPolarHBondContact O-CB 3.37Å; A229-F233 PolarHBondContact O-N 3.31Å
230L75.8Confident70.2Confident104 Ų10481.4 Ų81.455%0.54544%0.444SS..Hα-helixtrans-63.1-44.4174.2-166.2104.2000111.2C226 T227 Q228 F233 V234C226-L230 VanDerWaalsContact O-CB 3.32Å; C226-L230 WeakPolarHBondContact O-CB 3.35Å; C226-L230 PolarHBondContact O-N 3.23Å; T227-L230 WeakPolarHBondContact O-CB 3.42Å; T227-L230 PolarHBondContact O-N 3.24Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; L230-F233 WeakPolarHBondContact O-CB 3.13Å; L230-F233 PolarHBondContact O-N 3.4Å; L230-V234 VanDerWaalsContact O-CG2 3.28Å; L230-V234 WeakPolarHBondContact O-CG2 3.43Å; L230-V234 PolarHBondContact O-N 3.01Å
231D79.3Confident72.9Confident92 Ų9281 Ų8149%0.49244%0.437SS..Hα-helixtrans-63-44.8178.3-74.1-18000111.6T227 Q228 F233 V234 Q235T227-D231 WeakPolarHBondContact O-CB 3.27Å; T227-D231 VanDerWaalsContact O-CG 3.25Å; T227-D231 PolarHBondContact O-N 2.96Å; Q228-D231 PolarHBondContact O-N 3.13Å; D231-F233 VanDerWaalsContact C-N 3.3Å; D231-F233 PolarHBondContact O-N 2.72Å; D231-V234 PolarHBondContact O-N 3.28Å; D231-Q235 VanDerWaalsContact O-CB 3.29Å; D231-Q235 WeakPolarHBondContact O-CB 3.46Å; D231-Q235 PolarHBondContact O-N 2.9Å
232A73.8Confident75.5Confident39 Ų3977.7 Ų77.732%0.32241%0.412SS..Hα-helixtrans-61.5-38.4175.100000112.1Q228 Q235 A236Q228-A232 WeakPolarHBondContact O-CB 3.37Å; Q228-A232 PolarHBondContact O-N 3.31Å; A232-Q235 PolarHBondContact O-N 2.99Å; A232-A236 WeakPolarHBondContact O-CB 3.39Å; A232-A236 PolarHBondContact O-N 3.18Å
233F80.2Confident77.7Confident86 Ų8675 Ų7538%0.37741%0.406SS..Hα-helixtrans-65.8-48174.5173.8-114.5000112.1L64 A229 L230 D231 Q235 A236 C237L64-F233 HydrophobicContact CD1-CD2 3.82Å; L64-F233 HydrophobicContact CD1-CE2 3.37Å; L64-F233 HydrophobicContact CD1-CZ 4.03Å; L64-F233 HydrophobicContact CD2-CD2 3.29Å; L64-F233 HydrophobicContact CD2-CE2 3.59Å; L64-F233 HydrophobicContact CD2-CG 4.36Å; L64-F233 HydrophobicContact CG-CD2 4.1Å; L64-F233 HydrophobicContact CG-CE2 4.09Å; A229-F233 WeakPolarHBondContact O-CB 3.37Å; A229-F233 PolarHBondContact O-N 3.31Å; L230-F233 WeakPolarHBondContact O-CB 3.13Å; L230-F233 PolarHBondContact O-N 3.4Å; D231-F233 VanDerWaalsContact C-N 3.3Å; D231-F233 PolarHBondContact O-N 2.72Å; F233-Q235 PolarHBondContact O-N 3.13Å; F233-A236 WeakPolarHBondContact O-CB 3.14Å; F233-A236 PolarHBondContact O-N 3.41Å; F233-A236 VanDerWaalsContact O-N 3.13Å; F233-C237 VanDerWaalsContact CZ-SG 3.59Å; F233-C237 PolarHBondContact O-N 3.36Å; F233-C237 PolarHBondContact O-SG 3.14Å
234V84.1Confident79.5Confident81 Ų8172.2 Ų72.249%0.49139%0.386SS..Hα-helixtrans-59.1-40.5176.5170.60000110.3L230 D231 C237 R238L230-V234 VanDerWaalsContact O-CG2 3.28Å; L230-V234 WeakPolarHBondContact O-CG2 3.43Å; L230-V234 PolarHBondContact O-N 3.01Å; D231-V234 PolarHBondContact O-N 3.28Å; V234-C237 WeakPolarHBondContact O-CB 3.47Å; V234-C237 PolarHBondContact O-N 2.9Å; V234-R238 WeakPolarHBondContact O-CB 3.38Å; V234-R238 PolarHBondContact O-N 2.8Å
235Q82.9Confident80.7Confident64 Ų6467 Ų6730%0.29936%0.359SS..Hα-helixtrans-66.4-41176.1-166.5171.52200112.2D231 A232 F233 C237 R238 I239 N389 P392D231-Q235 VanDerWaalsContact O-CB 3.29Å; D231-Q235 WeakPolarHBondContact O-CB 3.46Å; D231-Q235 PolarHBondContact O-N 2.9Å; A232-Q235 PolarHBondContact O-N 2.99Å; F233-Q235 PolarHBondContact O-N 3.13Å; Q235-C237 PolarHBondContact O-N 3.39Å; Q235-R238 PolarHBondContact O-N 3.24Å; Q235-R238 VanDerWaalsContact O-N 3.17Å; Q235-I239 HydrophobicContact CG-CD1 4.41Å; Q235-I239 WeakPolarHBondContact O-CG1 3.45Å; Q235-I239 PolarHBondContact O-N 3.09Å; Q235-N389 PolarHBondContact NE2-OD1 3.18Å; Q235-P392 HydrophobicContact CB-CB 4.3Å; Q235-P392 HydrophobicContact CB-CG 4.24Å; Q235-P392 HydrophobicContact CG-CB 4.17Å; Q235-P392 HydrophobicContact CG-CG 4.04Å
236A83.9Confident82.2Confident12 Ų1268.4 Ų68.410%0.09937%0.366CS..Hα-helixtrans-61.1-43172.900000111.4A232 F233 R238 I239 S240 P392 V396A232-A236 WeakPolarHBondContact O-CB 3.39Å; A232-A236 PolarHBondContact O-N 3.18Å; F233-A236 WeakPolarHBondContact O-CB 3.14Å; F233-A236 PolarHBondContact O-N 3.41Å; F233-A236 VanDerWaalsContact O-N 3.13Å; A236-R238 VanDerWaalsContact C-N 3.31Å; A236-R238 PolarHBondContact O-N 2.58Å; A236-I239 PolarHBondContact O-N 3.46Å; A236-S240 WeakPolarHBondContact O-CB 3.38Å; A236-S240 PolarHBondContact O-N 3.02Å; A236-P392 HydrophobicContact CB-CB 4.19Å; A236-V396 HydrophobicContact CB-CG2 3.9Å; A236-V396 WeakPolarHBondContact O-CG2 3.47Å
237C86.3Confident83.8Confident54 Ų5467.2 Ų67.237%0.36535%0.354SS..Hα-helixtrans-62.7-36173.2-70.40000112.6F233 V234 Q235 S240F233-C237 VanDerWaalsContact CZ-SG 3.59Å; F233-C237 PolarHBondContact O-N 3.36Å; F233-C237 PolarHBondContact O-SG 3.14Å; V234-C237 WeakPolarHBondContact O-CB 3.47Å; V234-C237 PolarHBondContact O-N 2.9Å; Q235-C237 PolarHBondContact O-N 3.39Å; C237-S240 PolarHBondContact O-OG 3.41Å
238R88.4Confident84.8Confident195 Ų19564.1 Ų64.174%0.73634%0.335SS*.Hα-helixtrans-69.8-39.9175.6-170.3177.6-179.6-175.7-0.7111.6V234 Q235 A236 V241V234-R238 WeakPolarHBondContact O-CB 3.38Å; V234-R238 PolarHBondContact O-N 2.8Å; Q235-R238 PolarHBondContact O-N 3.24Å; Q235-R238 VanDerWaalsContact O-N 3.17Å; A236-R238 VanDerWaalsContact C-N 3.31Å; A236-R238 PolarHBondContact O-N 2.58Å; R238-V241 WeakPolarHBondContact O-CG2 3.38Å
239I87.8Confident86Confident9 Ų962.3 Ų62.35%0.04633%0.331CS..Hα-helixtrans-68.4-39.1176.8-70.1176.4000110.9Q235 A236 V241 T242 M245 F386 N389 P392 A393Q235-I239 HydrophobicContact CG-CD1 4.41Å; Q235-I239 WeakPolarHBondContact O-CG1 3.45Å; Q235-I239 PolarHBondContact O-N 3.09Å; A236-I239 PolarHBondContact O-N 3.46Å; I239-V241 PolarHBondContact O-N 3.35Å; I239-V241 VanDerWaalsContact O-N 3.14Å; I239-T242 WeakPolarHBondContact O-CB 3.44Å; I239-T242 PolarHBondContact O-N 2.91Å; I239-T242 PolarHBondContact O-OG1 3.13Å; I239-M245 HydrophobicContact CG2-CB 4.26Å; I239-M245 HydrophobicContact CG2-CE 3.55Å; I239-M245 HydrophobicContact CG2-CG 4.25Å; I239-M245 WeakPolarHBondContact O-CB 3.23Å; I239-F386 HydrophobicContact CD1-CD1 4.28Å; I239-F386 HydrophobicContact CG1-CD1 4.44Å; I239-F386 HydrophobicContact CG1-CE1 4.46Å; I239-F386 HydrophobicContact CG2-CD1 4.05Å; I239-F386 HydrophobicContact CG2-CE1 3.7Å; I239-F386 HydrophobicContact CG2-CZ 3.98Å; I239-N389 HydrophobicContact CD1-CB 3.77Å; I239-P392 HydrophobicContact CD1-CB 3.9Å; I239-A393 HydrophobicContact CD1-CB 4.25Å; I239-A393 HydrophobicContact CG2-CB 4.3Å
240S87.6Confident87.3Confident45 Ų4563 Ų6332%0.31534%0.336SS..Hα-helixtrans-61-25.8-177.669.90000113.6A236 C237 L246A236-S240 WeakPolarHBondContact O-CB 3.38Å; A236-S240 PolarHBondContact O-N 3.02Å; C237-S240 PolarHBondContact O-OG 3.41Å; S240-L246 WeakPolarHBondContact O-CD2 3.49Å
241V91.1Very high88.3Confident101 Ų10158 Ų5861%0.61231%0.31SS*.THydrogen-bonded Turntrans-94.3-0.1176.4-59.50000114.1R238 I239 L246R238-V241 WeakPolarHBondContact O-CG2 3.38Å; I239-V241 PolarHBondContact O-N 3.35Å; I239-V241 VanDerWaalsContact O-N 3.14Å; V241-L246 WeakPolarHBondContact O-CD1 3.38Å
242T91.1Very high89.1Confident38 Ų3853.6 Ų53.623%0.23329%0.286CS..SBendtrans-67.4147.417560.90000110.8I239 E244 M245 L246I239-T242 WeakPolarHBondContact O-CB 3.44Å; I239-T242 PolarHBondContact O-N 2.91Å; I239-T242 PolarHBondContact O-OG1 3.13Å; T242-E244 PolarHBondContact O-N 3.41Å; T242-M245 PolarHBondContact O-N 3.22Å; T242-M245 VanDerWaalsContact OG1-CB 3.22Å; T242-M245 WeakPolarHBondContact OG1-CB 3.4Å; T242-M245 PolarHBondContact OG1-N 2.79Å; T242-L246 WeakPolarHBondContact O-CB 3.45Å; T242-L246 VanDerWaalsContact O-CG 3.26Å; T242-L246 WeakPolarHBondContact O-CG 3.3Å; T242-L246 PolarHBondContact O-N 3.5Å
243K90Very high90.1Very high161 Ų16151.9 Ų51.970%0.727%0.273SS*.Hα-helixtrans-58.7-38.8-178.7-67.1-177.7-179178.80111.3L247K243-L247 VanDerWaalsContact O-CG 3.3Å; K243-L247 WeakPolarHBondContact O-CG 3.37Å; K243-L247 PolarHBondContact O-N 2.7Å
244E90.5Very high91Very high16 Ų1647.8 Ų47.88%0.07526%0.255CS..Hα-helixtrans-63.2-50.7178.8-63.374.6-165.300111.3T242 L247 L248 L385 F386 L441 R445T242-E244 PolarHBondContact O-N 3.41Å; E244-L247 PolarHBondContact O-N 2.71Å; E244-L248 WeakPolarHBondContact O-CG 3.18Å; E244-L248 PolarHBondContact O-N 2.94Å; E244-L385 HydrophobicContact CB-CD1 4.18Å; E244-L385 HydrophobicContact CG-CD1 4.41Å; E244-L385 HydrophobicContact CG-CD2 4.47Å; E244-F386 HydrophobicContact CB-CE2 4.38Å; E244-F386 HydrophobicContact CB-CZ 3.9Å; E244-L441 HydrophobicContact CG-CD2 4.04Å; E244-R445 IonicContact OE1-CZ 2.76Å; E244-R445 IonicContact OE1-NE 3.41Å; E244-R445 IonicContact OE1-NH1 3.58Å; E244-R445 PolarHBondContact OE1-NH1 3.48Å; E244-R445 IonicContact OE1-NH2 2.62Å; E244-R445 PolarHBondContact OE1-NH2 3.45Å
245M91.7Very high91.5Very high1 Ų144 Ų441%0.00523%0.231CC..Hα-helixtrans-69.2-36.5179.6-171.558.77700111.8I239 T242 L248 S249 I252 F386 A393 V396I239-M245 HydrophobicContact CG2-CB 4.26Å; I239-M245 HydrophobicContact CG2-CE 3.55Å; I239-M245 HydrophobicContact CG2-CG 4.25Å; I239-M245 WeakPolarHBondContact O-CB 3.23Å; T242-M245 PolarHBondContact O-N 3.22Å; T242-M245 VanDerWaalsContact OG1-CB 3.22Å; T242-M245 WeakPolarHBondContact OG1-CB 3.4Å; T242-M245 PolarHBondContact OG1-N 2.79Å; M245-L248 CarbonylContact O-C 3.54Å; M245-L248 PolarHBondContact O-N 3.47Å; M245-S249 WeakPolarHBondContact O-CB 3.18Å; M245-S249 PolarHBondContact O-N 3.27Å; M245-I252 HydrophobicContact SD-CD1 4.06Å; M245-F386 HydrophobicContact CB-CZ 4.08Å; M245-F386 HydrophobicContact CE-CD2 4.14Å; M245-F386 HydrophobicContact CE-CE2 3.72Å; M245-F386 HydrophobicContact CE-CZ 4.14Å; M245-A393 HydrophobicContact CE-CB 4.01Å; M245-V396 HydrophobicContact CE-CB 4.23Å; M245-V396 HydrophobicContact CE-CG1 4.24Å; M245-V396 HydrophobicContact CG-CG1 3.75Å; M245-V396 HydrophobicContact SD-CB 4.46Å; M245-V396 HydrophobicContact SD-CG1 3.87Å
246L92.9Very high92.1Very high95 Ų9540.9 Ų40.950%0.49722%0.217SC..Hα-helixtrans-63.3-41.4175.3-72.8173.2000111.7S240 V241 T242 S249S240-L246 WeakPolarHBondContact O-CD2 3.49Å; V241-L246 WeakPolarHBondContact O-CD1 3.38Å; T242-L246 WeakPolarHBondContact O-CB 3.45Å; T242-L246 VanDerWaalsContact O-CG 3.26Å; T242-L246 WeakPolarHBondContact O-CG 3.3Å; T242-L246 PolarHBondContact O-N 3.5Å; L246-S249 WeakPolarHBondContact O-CB 3.48Å; L246-S249 PolarHBondContact O-N 2.93Å; L246-S249 PolarHBondContact O-OG 3.05Å
247L93.2Very high92.8Very high58 Ų5840.4 Ų40.430%0.30421%0.213SC..Hα-helixtrans-64-43.5172.9-72.7170.2000111.3K243 E244 S249 S434 A437 A438 L441K243-L247 VanDerWaalsContact O-CG 3.3Å; K243-L247 WeakPolarHBondContact O-CG 3.37Å; K243-L247 PolarHBondContact O-N 2.7Å; E244-L247 PolarHBondContact O-N 2.71Å; L247-S249 VanDerWaalsContact C-N 3.28Å; L247-S249 PolarHBondContact O-N 3.23Å; L247-S434 WeakPolarHBondContact O-CB 3.49Å; L247-A437 HydrophobicContact CD2-CB 4.39Å; L247-A438 HydrophobicContact CB-CB 4.01Å; L247-L441 HydrophobicContact CD1-CD2 4.09Å
248L93.7Very high93.3Very high0 Ų037.9 Ų37.90%020%0.195CC..Hα-helixtrans-68.8-25.5177.6-71.3172.7000113.4E244 M245 A250 S251 I252 L378 I381 I382 L385 F435 A438E244-L248 WeakPolarHBondContact O-CG 3.18Å; E244-L248 PolarHBondContact O-N 2.94Å; M245-L248 CarbonylContact O-C 3.54Å; M245-L248 PolarHBondContact O-N 3.47Å; L248-A250 PolarHBondContact O-N 3.37Å; L248-S251 WeakPolarHBondContact O-CB 3.5Å; L248-S251 PolarHBondContact O-N 3.33Å; L248-I252 HydrophobicContact CB-CD1 4.08Å; L248-I252 VanDerWaalsContact O-CG1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.3Å; L248-I252 PolarHBondContact O-N 3.17Å; L248-L378 HydrophobicContact CD2-CD2 4.02Å; L248-I381 HydrophobicContact CD1-CG2 4.09Å; L248-I381 HydrophobicContact CD2-CD1 4.22Å; L248-I381 HydrophobicContact CD2-CG2 3.78Å; L248-I382 HydrophobicContact CD1-CG1 3.98Å; L248-L385 HydrophobicContact CD1-CD1 4.06Å; L248-F435 HydrophobicContact CD2-CD2 4.1Å; L248-A438 HydrophobicContact CD2-CB 3.69Å; L248-A438 HydrophobicContact CG-CB 3.85Å
249S94.3Very high93.5Very high38 Ų3829.8 Ų29.827%0.26617%0.167SC..Hα-helixtrans-57.8-35.7-175.673.40000113M245 L246 L247 I252 G253M245-S249 WeakPolarHBondContact O-CB 3.18Å; M245-S249 PolarHBondContact O-N 3.27Å; L246-S249 WeakPolarHBondContact O-CB 3.48Å; L246-S249 PolarHBondContact O-N 2.93Å; L246-S249 PolarHBondContact O-OG 3.05Å; L247-S249 VanDerWaalsContact C-N 3.28Å; L247-S249 PolarHBondContact O-N 3.23Å; S249-I252 PolarHBondContact O-N 3.39Å; S249-G253 PolarHBondContact O-N 2.97Å
250A95.3Very high93.8Very high33 Ų3329.4 Ų29.427%0.27317%0.165SC..Hα-helixtrans-65.3-43.1176.600000111.7L248 G253 Y254L248-A250 PolarHBondContact O-N 3.37Å; A250-G253 PolarHBondContact O-N 3.25Å; A250-Y254 PolarHBondContact O-N 2.97Å
251S95.8Very high94.3Very high0 Ų027.4 Ų27.40%015%0.15CC..Hα-helixtrans-67.6-40.8176.9-40.60000111.9L248 G253 Y254 T255 G431 F435L248-S251 WeakPolarHBondContact O-CB 3.5Å; L248-S251 PolarHBondContact O-N 3.33Å; S251-G253 VanDerWaalsContact C-N 3.33Å; S251-Y254 WeakPolarHBondContact O-CB 3.26Å; S251-Y254 PolarHBondContact O-N 3.43Å; S251-T255 PolarHBondContact O-N 3.49Å; S251-G431 WeakPolarHBondContact CB-O 3.43Å; S251-G431 PolarHBondContact OG-O 3.28Å; S251-F435 WeakPolarHBondContact OG-CB 3.41Å; S251-F435 PolarHBondContact OG-N 3.26Å
252I95.5Very high94.4Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-66.5-39.1176.1-60.7166.4000110.4M245 L248 S249 Y254 T255 G256 L378 I382 F397 I400 Q401M245-I252 HydrophobicContact SD-CD1 4.06Å; L248-I252 HydrophobicContact CB-CD1 4.08Å; L248-I252 VanDerWaalsContact O-CG1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.3Å; L248-I252 PolarHBondContact O-N 3.17Å; S249-I252 PolarHBondContact O-N 3.39Å; I252-Y254 VanDerWaalsContact C-N 3.33Å; I252-T255 PolarHBondContact O-N 3.39Å; I252-T255 PolarHBondContact O-OG1 3.12Å; I252-G256 PolarHBondContact O-N 3.43Å; I252-L378 HydrophobicContact CG1-CD1 4.47Å; I252-L378 HydrophobicContact CG1-CD2 4.14Å; I252-I382 HydrophobicContact CD1-CD1 4.03Å; I252-F397 HydrophobicContact CB-CD2 4.28Å; I252-F397 HydrophobicContact CB-CE2 4.44Å; I252-F397 HydrophobicContact CD1-CB 4.44Å; I252-F397 HydrophobicContact CD1-CD2 3.72Å; I252-F397 HydrophobicContact CG1-CD2 3.59Å; I252-F397 HydrophobicContact CG1-CE2 3.91Å; I252-F397 HydrophobicContact CG2-CD2 3.71Å; I252-F397 HydrophobicContact CG2-CE2 3.97Å; I252-F397 HydrophobicContact CG2-CG 4.27Å; I252-F397 VanDerWaalsContact CG2-O 3.31Å; I252-F397 WeakPolarHBondContact CG2-O 3.4Å; I252-I400 HydrophobicContact CB-CG2 4.11Å; I252-I400 HydrophobicContact CG2-CB 3.84Å; I252-I400 HydrophobicContact CG2-CG2 3.81Å; I252-Q401 HydrophobicContact CG2-CB 4.03Å
253G96.7Very high94.2Very high3 Ų321.9 Ų21.93%0.03112%0.115CC..Hα-helixtrans-64.6-39.4176.200000112.1S249 A250 S251 T255 G256 L257 M404S249-G253 PolarHBondContact O-N 2.97Å; A250-G253 PolarHBondContact O-N 3.25Å; S251-G253 VanDerWaalsContact C-N 3.33Å; G253-T255 PolarHBondContact O-N 3.18Å; G253-G256 PolarHBondContact O-N 3.32Å; G253-G256 VanDerWaalsContact O-N 3.16Å; G253-L257 WeakPolarHBondContact O-CG 3.3Å; G253-L257 PolarHBondContact O-N 3.37Å; G253-L257 VanDerWaalsContact O-N 3.07Å; G253-M404 WeakPolarHBondContact O-CB 3.44Å
254Y97.6Very high94.2Very high0 Ų014.4 Ų14.40%08%0.083CC..Hα-helixtrans-58.3-45.1172.5169.9-109.8000112.5A250 S251 I252 G256 L257 E258 H324 F374 L424 F427 G428A250-Y254 PolarHBondContact O-N 2.97Å; S251-Y254 WeakPolarHBondContact O-CB 3.26Å; S251-Y254 PolarHBondContact O-N 3.43Å; I252-Y254 VanDerWaalsContact C-N 3.33Å; Y254-G256 PolarHBondContact O-N 3.41Å; Y254-L257 WeakPolarHBondContact O-CB 3.4Å; Y254-L257 PolarHBondContact O-N 2.96Å; Y254-L257 VanDerWaalsContact O-N 3.12Å; Y254-E258 HydrophobicContact CE2-CB 4.41Å; Y254-E258 WeakPolarHBondContact O-CB 3.4Å; Y254-E258 PolarHBondContact O-N 2.93Å; Y254-H324 AromaticContact CE1-ND1 3.78Å; Y254-H324 AromaticContact CZ-ND1 3.66Å; Y254-H324 WeakPolarHBondContact OH-CB 3.49Å; Y254-H324 PolarHBondContact OH-CE1 3.47Å; Y254-H324 VanDerWaalsContact OH-CG 3.25Å; Y254-H324 PolarHBondContact OH-ND1 3.39Å; Y254-F374 HydrophobicContact CD1-CD1 4.1Å; Y254-F374 AromaticContact CD1-CE1 3.94Å; Y254-F374 HydrophobicContact CD1-CE1 3.94Å; Y254-F374 HydrophobicContact CD1-CG 4.45Å; Y254-F374 HydrophobicContact CD1-CZ 4.15Å; Y254-F374 HydrophobicContact CE1-CD1 4.21Å; Y254-F374 AromaticContact CE1-CD2 4Å; Y254-F374 HydrophobicContact CE1-CD2 4Å; Y254-F374 AromaticContact CE1-CE1 3.97Å; Y254-F374 HydrophobicContact CE1-CE1 3.97Å; Y254-F374 AromaticContact CE1-CE2 3.74Å; Y254-F374 HydrophobicContact CE1-CE2 3.74Å; Y254-F374 HydrophobicContact CE1-CG 4.22Å; Y254-F374 AromaticContact CE1-CZ 3.72Å; Y254-F374 HydrophobicContact CE1-CZ 3.72Å; Y254-L424 HydrophobicContact CE2-CD2 4.36Å; Y254-L424 WeakPolarHBondContact CE2-O 3.3Å; Y254-F427 HydrophobicContact CD2-CB 4.25Å; Y254-G428 VanDerWaalsContact CD2-N 3.29Å
255T95.7Very high94.4Very high0 Ų013.6 Ų13.60%08%0.08CC..Hα-helixtrans-65.6-27.3177.665.50000112.6S251 I252 G253 L259 F374 L378 Q401S251-T255 PolarHBondContact O-N 3.49Å; I252-T255 PolarHBondContact O-N 3.39Å; I252-T255 PolarHBondContact O-OG1 3.12Å; G253-T255 PolarHBondContact O-N 3.18Å; T255-L259 WeakPolarHBondContact O-CB 3.4Å; T255-L259 PolarHBondContact O-N 2.92Å; T255-F374 HydrophobicContact CG2-CB 3.79Å; T255-F374 HydrophobicContact CG2-CG 4.5Å; T255-L378 HydrophobicContact CG2-CD1 3.56Å; T255-Q401 PolarHBondContact OG1-NE2 2.92Å; T255-Q401 VanDerWaalsContact OG1-NE2 3.14Å
256G95.8Very high94.6Very high0 Ų013.6 Ų13.60%08%0.08CC..Hα-helixtrans-66.4-44.5170.100000113I252 G253 Y254 T260 Q401 A405I252-G256 PolarHBondContact O-N 3.43Å; G253-G256 PolarHBondContact O-N 3.32Å; G253-G256 VanDerWaalsContact O-N 3.16Å; Y254-G256 PolarHBondContact O-N 3.41Å; G256-T260 PolarHBondContact O-N 3.39Å; G256-Q401 VanDerWaalsContact CA-O 3.29Å; G256-Q401 WeakPolarHBondContact CA-O 3.44Å; G256-A405 WeakPolarHBondContact O-CA 3.37Å; G256-A405 WeakPolarHBondContact O-CB 3.39Å
257L97.3Very high94.6Very high2 Ų29.3 Ų9.31%0.016%0.058CC..Hα-helixtrans-63.3-44.1176-64.6174.1000111.6G253 Y254 T260 F261 M404 A408 Y411 I423 L424 F427G253-L257 WeakPolarHBondContact O-CG 3.3Å; G253-L257 PolarHBondContact O-N 3.37Å; G253-L257 VanDerWaalsContact O-N 3.07Å; Y254-L257 WeakPolarHBondContact O-CB 3.4Å; Y254-L257 PolarHBondContact O-N 2.96Å; Y254-L257 VanDerWaalsContact O-N 3.12Å; L257-T260 PolarHBondContact O-N 3.08Å; L257-F261 PolarHBondContact O-N 3.27Å; L257-M404 HydrophobicContact CD1-CE 3.9Å; L257-M404 HydrophobicContact CD2-CE 3.75Å; L257-M404 HydrophobicContact CG-CE 3.79Å; L257-A408 HydrophobicContact CD2-CB 3.77Å; L257-Y411 HydrophobicContact CD2-CE1 4.08Å; L257-I423 HydrophobicContact CD1-CG2 4.07Å; L257-L424 HydrophobicContact CB-CD2 3.83Å; L257-F427 HydrophobicContact CD1-CB 3.67Å; L257-F427 HydrophobicContact CD1-CD1 3.7Å; L257-F427 HydrophobicContact CD1-CD2 4.14Å; L257-F427 HydrophobicContact CD1-CE1 4.37Å; L257-F427 HydrophobicContact CD1-CG 3.56Å
258E96.4Very high94.6Very high0 Ų06.7 Ų6.70%05%0.045CC..Hα-helixtrans-67.7-41.7-178.5-167.1-80.8170.300111.4Y254 T260 F261 Y262 H324 D371 L424Y254-E258 HydrophobicContact CE2-CB 4.41Å; Y254-E258 WeakPolarHBondContact O-CB 3.4Å; Y254-E258 PolarHBondContact O-N 2.93Å; E258-T260 VanDerWaalsContact C-N 3.31Å; E258-T260 PolarHBondContact O-N 3.48Å; E258-F261 WeakPolarHBondContact O-CA 3.33Å; E258-F261 WeakPolarHBondContact O-CB 3.21Å; E258-F261 PolarHBondContact O-N 3.02Å; E258-Y262 VanDerWaalsContact O-CD1 3.26Å; E258-Y262 WeakPolarHBondContact O-CD1 3.23Å; E258-Y262 PolarHBondContact O-N 3.2Å; E258-Y262 WeakPolarHBondContact OE1-CD1 3.46Å; E258-Y262 WeakPolarHBondContact OE2-CD1 3.22Å; E258-Y262 VanDerWaalsContact OE2-CE1 3.22Å; E258-Y262 WeakPolarHBondContact OE2-CE1 3.31Å; E258-H324 VanDerWaalsContact CD-NE2 3.35Å; E258-H324 IonicContact OE1-CD2 3.51Å; E258-H324 IonicContact OE1-CE1 2.97Å; E258-H324 IonicContact OE1-NE2 3.66Å; E258-H324 PolarHBondContact OE1-NE2 3.13Å; E258-D371 WeakPolarHBondContact OE2-CB 3.37Å; E258-D371 VanDerWaalsContact OE2-OD1 3.1Å; E258-L424 HydrophobicContact CB-CD2 4.29Å
259L93.4Very high94.6Very high25 Ų256.7 Ų6.713%0.1315%0.045CC..Hα-helixtrans-50.3-50.7172.7173.263.7000111.7Y56 T255 F261 Y262 S263 A405Y56-L259 HydrophobicContact CE1-CD2 4.04Å; T255-L259 WeakPolarHBondContact O-CB 3.4Å; T255-L259 PolarHBondContact O-N 2.92Å; L259-F261 VanDerWaalsContact C-N 3.29Å; L259-F261 PolarHBondContact O-N 3.39Å; L259-Y262 VanDerWaalsContact CA-CE1 3.49Å; L259-Y262 HydrophobicContact CB-CE1 4.36Å; L259-Y262 HydrophobicContact CD1-CE1 3.96Å; L259-Y262 VanDerWaalsContact CD1-OH 3.32Å; L259-Y262 WeakPolarHBondContact CD1-OH 2.97Å; L259-S263 WeakPolarHBondContact O-CB 3.37Å; L259-S263 PolarHBondContact O-N 2.89Å; L259-S263 VanDerWaalsContact O-N 3.09Å; L259-S263 PolarHBondContact O-OG 3.43Å; L259-A405 HydrophobicContact CD2-CB 4.48Å
260T94.9Very high94.6Very high1 Ų14.9 Ų4.91%0.0063%0.032CC..Hα-helixtrans-60.5-40.8177.3-69.80000112.5G256 L257 E258 G264 V265 A405 A408 F409G256-T260 PolarHBondContact O-N 3.39Å; L257-T260 PolarHBondContact O-N 3.08Å; E258-T260 VanDerWaalsContact C-N 3.31Å; E258-T260 PolarHBondContact O-N 3.48Å; T260-G264 PolarHBondContact O-N 3.24Å; T260-G264 VanDerWaalsContact O-N 3.13Å; T260-V265 HydrophobicContact CG2-CG2 4.18Å; T260-V265 PolarHBondContact O-N 2.58Å; T260-A405 VanDerWaalsContact OG1-CA 3.26Å; T260-A405 WeakPolarHBondContact OG1-CA 3.3Å; T260-A405 WeakPolarHBondContact OG1-CB 3.5Å; T260-A405 PolarHBondContact OG1-O 3.35Å; T260-A408 HydrophobicContact CG2-CB 3.56Å; T260-F409 HydrophobicContact CG2-CB 4.27Å; T260-F409 HydrophobicContact CG2-CD1 3.56Å; T260-F409 HydrophobicContact CG2-CD2 3.72Å; T260-F409 HydrophobicContact CG2-CE1 3.7Å; T260-F409 HydrophobicContact CG2-CE2 3.84Å; T260-F409 HydrophobicContact CG2-CG 3.56Å; T260-F409 HydrophobicContact CG2-CZ 3.83Å; T260-F409 WeakPolarHBondContact OG1-CD2 3.39Å; T260-F409 WeakPolarHBondContact OG1-CE2 3.31Å
261F96.6Very high94.4Very high3 Ų33.7 Ų3.71%0.0132%0.023CC..Iπ-helixtrans-65.4-53.6-175.9-174.7-100.8000111.7L257 E258 L259 V265 Y266 F328 I331 L367 L417 L421 L424L257-F261 PolarHBondContact O-N 3.27Å; E258-F261 WeakPolarHBondContact O-CA 3.33Å; E258-F261 WeakPolarHBondContact O-CB 3.21Å; E258-F261 PolarHBondContact O-N 3.02Å; L259-F261 VanDerWaalsContact C-N 3.29Å; L259-F261 PolarHBondContact O-N 3.39Å; F261-V265 HydrophobicContact CD2-CB 4Å; F261-V265 HydrophobicContact CD2-CG1 4.06Å; F261-V265 HydrophobicContact CE2-CB 4.44Å; F261-V265 HydrophobicContact CE2-CG1 4.07Å; F261-V265 PolarHBondContact O-N 3.34Å; F261-Y266 HydrophobicContact CE1-CD2 4.31Å; F261-Y266 HydrophobicContact CE1-CG 4.32Å; F261-Y266 HydrophobicContact CZ-CD2 4.29Å; F261-Y266 VanDerWaalsContact O-CB 3.3Å; F261-Y266 WeakPolarHBondContact O-CB 3.14Å; F261-Y266 PolarHBondContact O-N 2.8Å; F261-F328 HydrophobicContact CD1-CE1 4.32Å; F261-F328 HydrophobicContact CE1-CD1 4.45Å; F261-F328 HydrophobicContact CE1-CE1 4.4Å; F261-I331 HydrophobicContact CE1-CD1 3.81Å; F261-I331 HydrophobicContact CZ-CD1 4.21Å; F261-I331 HydrophobicContact CZ-CG2 4.41Å; F261-L367 HydrophobicContact CD1-CD1 4.27Å; F261-L367 HydrophobicContact CD1-CD2 4.21Å; F261-L367 HydrophobicContact CE1-CD1 4.13Å; F261-L367 HydrophobicContact CE1-CD2 4.3Å; F261-L417 HydrophobicContact CE2-CD1 3.79Å; F261-L417 HydrophobicContact CZ-CD1 4.02Å; F261-L421 HydrophobicContact CE1-CD2 4.05Å; F261-L421 HydrophobicContact CE2-CD2 3.93Å; F261-L421 HydrophobicContact CZ-CD2 3.45Å; F261-L421 VanDerWaalsContact CZ-CD2 3.45Å; F261-L421 HydrophobicContact CZ-CG 4.42Å; F261-L424 HydrophobicContact CB-CD1 3.74Å; F261-L424 HydrophobicContact CB-CD2 4.48Å; F261-L424 HydrophobicContact CD1-CD1 3.83Å; F261-L424 HydrophobicContact CD2-CD1 3.63Å; F261-L424 HydrophobicContact CE1-CD1 4.36Å; F261-L424 HydrophobicContact CE2-CD1 4.19Å; F261-L424 HydrophobicContact CG-CD1 3.43Å; F261-L424 VanDerWaalsContact CG-CD1 3.43Å
262Y93.3Very high94.2Very high19 Ų194.2 Ų4.28%0.0753%0.028CC..Iπ-helixtrans-73.5-35.5-177.379.4-105.2000112.8E258 L259 I291 D371E258-Y262 VanDerWaalsContact O-CD1 3.26Å; E258-Y262 WeakPolarHBondContact O-CD1 3.23Å; E258-Y262 PolarHBondContact O-N 3.2Å; E258-Y262 WeakPolarHBondContact OE1-CD1 3.46Å; E258-Y262 WeakPolarHBondContact OE2-CD1 3.22Å; E258-Y262 VanDerWaalsContact OE2-CE1 3.22Å; E258-Y262 WeakPolarHBondContact OE2-CE1 3.31Å; L259-Y262 VanDerWaalsContact CA-CE1 3.49Å; L259-Y262 HydrophobicContact CB-CE1 4.36Å; L259-Y262 HydrophobicContact CD1-CE1 3.96Å; L259-Y262 VanDerWaalsContact CD1-OH 3.32Å; L259-Y262 WeakPolarHBondContact CD1-OH 2.97Å; Y262-I291 HydrophobicContact CD2-CD1 4.11Å; Y262-I291 HydrophobicContact CD2-CG1 4.49Å; Y262-I291 HydrophobicContact CD2-CG2 3.53Å; Y262-I291 HydrophobicContact CE2-CG2 3.71Å; Y262-I291 HydrophobicContact CG-CG2 4.4Å; Y262-I291 WeakPolarHBondContact O-CD1 3.32Å; Y262-D371 HydrophobicContact CE1-CB 4.17Å
263S88.3Confident94Very high5 Ų54.3 Ų4.34%0.0353%0.028CC..Iπ-helixtrans-83-17-173.768.80000114.2N30 L259N30-S263 WeakPolarHBondContact CA-O 3.4Å; N30-S263 PolarHBondContact OD1-O 3.26Å; L259-S263 WeakPolarHBondContact O-CB 3.37Å; L259-S263 PolarHBondContact O-N 2.89Å; L259-S263 VanDerWaalsContact O-N 3.09Å; L259-S263 PolarHBondContact O-OG 3.43Å
264G88.9Confident93.7Very high3 Ų36.3 Ų6.33%0.0314%0.04CC..Iπ-helixtrans-135-57.9-179.400000113.6T260 T268T260-G264 PolarHBondContact O-N 3.24Å; T260-G264 VanDerWaalsContact O-N 3.13Å; G264-T268 PolarHBondContact O-N 3.35Å; G264-T268 VanDerWaalsContact O-N 3.17Å; G264-T268 PolarHBondContact O-OG1 3.2Å
265V94.7Very high93.2Very high0 Ų013.1 Ų13.10%07%0.065CC..Iπ-helixtrans-65.3-49.3-170.7-178.20000111.5Y49 T260 F261 G267 T268 C269 P340 S412Y49-V265 HydrophobicContact CE1-CG2 4.35Å; T260-V265 HydrophobicContact CG2-CG2 4.18Å; T260-V265 PolarHBondContact O-N 2.58Å; F261-V265 HydrophobicContact CD2-CB 4Å; F261-V265 HydrophobicContact CD2-CG1 4.06Å; F261-V265 HydrophobicContact CE2-CB 4.44Å; F261-V265 HydrophobicContact CE2-CG1 4.07Å; F261-V265 PolarHBondContact O-N 3.34Å; V265-G267 PolarHBondContact O-N 2.94Å; V265-T268 VanDerWaalsContact O-CB 3.32Å; V265-T268 WeakPolarHBondContact O-CB 3.43Å; V265-T268 PolarHBondContact O-N 3.06Å; V265-T268 VanDerWaalsContact O-N 3.17Å; V265-C269 PolarHBondContact O-N 2.98Å; V265-C269 PolarHBondContact O-SG 3.27Å; V265-P340 HydrophobicContact CG1-CB 4.18Å; V265-P340 HydrophobicContact CG1-CG 4.28Å; V265-S412 WeakPolarHBondContact CG2-OG 3.49Å
266Y95.9Very high92.9Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-67.3-41-172.9-174-124.4000112.5F261 T268 C269 I270 I331 I335 A360 C363 S364 L367F261-Y266 HydrophobicContact CE1-CD2 4.31Å; F261-Y266 HydrophobicContact CE1-CG 4.32Å; F261-Y266 HydrophobicContact CZ-CD2 4.29Å; F261-Y266 VanDerWaalsContact O-CB 3.3Å; F261-Y266 WeakPolarHBondContact O-CB 3.14Å; F261-Y266 PolarHBondContact O-N 2.8Å; Y266-T268 VanDerWaalsContact C-N 3.32Å; Y266-T268 PolarHBondContact O-N 3.29Å; Y266-C269 WeakPolarHBondContact O-CB 3.41Å; Y266-C269 PolarHBondContact O-N 2.87Å; Y266-C269 VanDerWaalsContact O-N 3.15Å; Y266-I270 HydrophobicContact CD1-CD1 4.12Å; Y266-I270 HydrophobicContact CE1-CD1 3.66Å; Y266-I270 HydrophobicContact CE1-CG1 4.48Å; Y266-I270 HydrophobicContact CE2-CD1 4.31Å; Y266-I270 HydrophobicContact CE2-CG1 4.28Å; Y266-I270 PolarHBondContact O-N 3.46Å; Y266-I331 HydrophobicContact CD2-CD1 3.86Å; Y266-I331 HydrophobicContact CD2-CG1 4.28Å; Y266-I331 HydrophobicContact CD2-CG2 4.25Å; Y266-I331 HydrophobicContact CE2-CB 4.4Å; Y266-I331 HydrophobicContact CE2-CD1 3.59Å; Y266-I331 HydrophobicContact CE2-CG1 3.57Å; Y266-I331 HydrophobicContact CE2-CG2 3.94Å; Y266-I331 HydrophobicContact CG-CD1 4.48Å; Y266-I335 HydrophobicContact CE2-CG1 4.3Å; Y266-A360 WeakPolarHBondContact OH-CA 3.49Å; Y266-A360 PolarHBondContact OH-O 2.87Å; Y266-C363 HydrophobicContact CE1-CB 4.38Å; Y266-C363 WeakPolarHBondContact OH-CB 3.31Å; Y266-S364 VanDerWaalsContact CE1-OG 3.31Å; Y266-S364 WeakPolarHBondContact CE1-OG 3.38Å; Y266-L367 HydrophobicContact CD1-CD1 3.51Å; Y266-L367 HydrophobicContact CE1-CD1 3.91Å; Y266-L367 HydrophobicContact CG-CD1 3.94Å
267G93.1Very high92.4Very high5 Ų516 Ų165%0.0529%0.09CC..Hα-helixtrans-58-44.317100000112.1V265 C269 I270 G271 I284V265-G267 PolarHBondContact O-N 2.94Å; G267-C269 VanDerWaalsContact C-N 3.31Å; G267-C269 PolarHBondContact O-N 3.41Å; G267-I270 PolarHBondContact O-N 2.88Å; G267-G271 PolarHBondContact O-N 3.3Å; G267-I284 WeakPolarHBondContact O-CG1 3.47Å
268T92.6Very high91.6Very high4 Ų418.9 Ų18.93%0.02511%0.11CC..Hα-helixtrans-59.3-42.9174.7-50.10000111.6Q33 Y49 G264 V265 Y266 I270 G271 A272Q33-T268 HydrophobicContact CB-CG2 4.05Å; Q33-T268 HydrophobicContact CG-CG2 3.82Å; Y49-T268 WeakPolarHBondContact OH-CB 3.42Å; Y49-T268 WeakPolarHBondContact OH-CG2 3.45Å; Y49-T268 PolarHBondContact OH-OG1 3.43Å; G264-T268 PolarHBondContact O-N 3.35Å; G264-T268 VanDerWaalsContact O-N 3.17Å; G264-T268 PolarHBondContact O-OG1 3.2Å; V265-T268 VanDerWaalsContact O-CB 3.32Å; V265-T268 WeakPolarHBondContact O-CB 3.43Å; V265-T268 PolarHBondContact O-N 3.06Å; V265-T268 VanDerWaalsContact O-N 3.17Å; Y266-T268 VanDerWaalsContact C-N 3.32Å; Y266-T268 PolarHBondContact O-N 3.29Å; T268-I270 PolarHBondContact O-N 2.97Å; T268-G271 PolarHBondContact O-N 3.07Å; T268-A272 WeakPolarHBondContact O-CB 3.37Å; T268-A272 PolarHBondContact O-N 3.04Å
269C94.4Very high91.1Very high0 Ų021.1 Ų21.10%012%0.122CC..Hα-helixtrans-62-45.6179.6-63.10000111.9V265 Y266 G267 G271 A272 M273 I335 A339 P340V265-C269 PolarHBondContact O-N 2.98Å; V265-C269 PolarHBondContact O-SG 3.27Å; Y266-C269 WeakPolarHBondContact O-CB 3.41Å; Y266-C269 PolarHBondContact O-N 2.87Å; Y266-C269 VanDerWaalsContact O-N 3.15Å; G267-C269 VanDerWaalsContact C-N 3.31Å; G267-C269 PolarHBondContact O-N 3.41Å; C269-G271 VanDerWaalsContact C-N 3.32Å; C269-G271 PolarHBondContact O-N 3.23Å; C269-A272 PolarHBondContact O-N 3.36Å; C269-M273 WeakPolarHBondContact O-CG 3.35Å; C269-M273 PolarHBondContact O-N 3.17Å; C269-I335 HydrophobicContact CB-CG2 3.81Å; C269-A339 HydrophobicContact CB-CB 3.88Å; C269-P340 VanDerWaalsContact SG-CG 3.52Å
270I94.3Very high90.7Very high0 Ų020.2 Ų20.20%012%0.119CC..Hα-helixtrans-59.8-45.3176.8-68.4172.4000110.5Y266 G267 T268 A272 M273 F276 L283 S287 A360 M361Y266-I270 HydrophobicContact CD1-CD1 4.12Å; Y266-I270 HydrophobicContact CE1-CD1 3.66Å; Y266-I270 HydrophobicContact CE1-CG1 4.48Å; Y266-I270 HydrophobicContact CE2-CD1 4.31Å; Y266-I270 HydrophobicContact CE2-CG1 4.28Å; Y266-I270 PolarHBondContact O-N 3.46Å; G267-I270 PolarHBondContact O-N 2.88Å; T268-I270 PolarHBondContact O-N 2.97Å; I270-A272 PolarHBondContact O-N 3.33Å; I270-M273 PolarHBondContact O-N 2.92Å; I270-F276 HydrophobicContact CG2-CD2 4.17Å; I270-F276 HydrophobicContact CG2-CE2 4.16Å; I270-L283 HydrophobicContact CG2-CB 3.58Å; I270-L283 HydrophobicContact CG2-CD1 4.39Å; I270-S287 WeakPolarHBondContact CD1-OG 3.12Å; I270-A360 HydrophobicContact CD1-CB 4.33Å; I270-A360 HydrophobicContact CG1-CB 4.39Å; I270-M361 HydrophobicContact CD1-CE 4.12Å; I270-M361 HydrophobicContact CG2-CE 4.27Å
271G90.5Very high90.3Very high8 Ų821 Ų218%0.08212%0.122CC..Hα-helixtrans-63.6-24.7178.900000114.6G267 T268 C269G267-G271 PolarHBondContact O-N 3.3Å; T268-G271 PolarHBondContact O-N 3.07Å; C269-G271 VanDerWaalsContact C-N 3.32Å; C269-G271 PolarHBondContact O-N 3.23Å
272A92Very high89.9Confident11 Ų1121 Ų219%0.09112%0.122CC..Hα-helixtrans-86.3-14.6-179.100000114.2T268 C269 I270 T274 A339 A342 G346 T347T268-A272 WeakPolarHBondContact O-CB 3.37Å; T268-A272 PolarHBondContact O-N 3.04Å; C269-A272 PolarHBondContact O-N 3.36Å; I270-A272 PolarHBondContact O-N 3.33Å; A272-T274 PolarHBondContact O-N 3.46Å; A272-A339 HydrophobicContact CB-CB 4.32Å; A272-A339 WeakPolarHBondContact CB-O 3.42Å; A272-A342 HydrophobicContact CB-CB 3.79Å; A272-G346 CarbonylContact O-C 3.12Å; A272-G346 WeakPolarHBondContact O-CA 3.29Å; A272-T347 PolarHBondContact O-N 3.4Å
273M92.1Very high89.9Confident1 Ų120.8 Ų20.81%0.00512%0.122CC..BIsolated β-bridgetrans-76.4102.2-176-68.9-62.7-69.800111.6C269 I270 R275 F276 A280 I335 A336 A339 T347 P355C269-M273 WeakPolarHBondContact O-CG 3.35Å; C269-M273 PolarHBondContact O-N 3.17Å; I270-M273 PolarHBondContact O-N 2.92Å; M273-R275 PolarHBondContact O-N 3.01Å; M273-F276 HydrophobicContact CB-CB 4.36Å; M273-F276 HydrophobicContact CB-CD1 4.4Å; M273-F276 HydrophobicContact CB-CD2 3.48Å; M273-F276 VanDerWaalsContact CB-CD2 3.48Å; M273-F276 HydrophobicContact CB-CE2 3.78Å; M273-F276 HydrophobicContact CB-CG 3.82Å; M273-F276 HydrophobicContact CB-CZ 4.36Å; M273-F276 HydrophobicContact CG-CD2 4.02Å; M273-F276 HydrophobicContact CG-CE2 3.77Å; M273-F276 HydrophobicContact CG-CZ 4.2Å; M273-F276 PolarHBondContact O-N 3.12Å; M273-F276 VanDerWaalsContact O-N 3.09Å; M273-A280 WeakPolarHBondContact O-CB 3.37Å; M273-I335 HydrophobicContact CG-CD1 4.12Å; M273-I335 HydrophobicContact CG-CG2 4.46Å; M273-I335 HydrophobicContact SD-CG2 4.09Å; M273-A336 HydrophobicContact CE-CB 4.14Å; M273-A336 HydrophobicContact SD-CB 3.59Å; M273-A336 VanDerWaalsContact SD-CB 3.59Å; M273-A336 PolarHBondContact SD-N 3.24Å; M273-A336 VanDerWaalsContact SD-N 3.39Å; M273-A339 HydrophobicContact SD-CB 4.36Å; M273-T347 HydrophobicContact SD-CG2 4.13Å; M273-P355 HydrophobicContact CE-CB 3.71Å; M273-P355 HydrophobicContact CE-CG 3.54Å
274T89.3Confident90.1Very high46 Ų4620.6 Ų20.628%0.28212%0.12SC..G310 helixtrans-62.4-30.3178.562.90000112.1A272 F276 G277 G345 T347 D348A272-T274 PolarHBondContact O-N 3.46Å; T274-F276 PolarHBondContact O-N 3.27Å; T274-G277 PolarHBondContact O-N 2.99Å; T274-G345 VanDerWaalsContact CG2-O 3.28Å; T274-G345 WeakPolarHBondContact CG2-O 3.42Å; T274-T347 PolarHBondContact N-O 2.6Å; T274-T347 PolarHBondContact OG1-O 3.38Å; T274-D348 WeakPolarHBondContact CB-OD1 3.27Å; T274-D348 PolarHBondContact OG1-OD1 3.18Å
275R89Confident90.2Very high142 Ų14220.4 Ų20.454%0.53612%0.119SC..G310 helixtrans-65.3-18.1176.8-63.6-60.8-159.3-177.96.7114.3M273 G277 E350 P355M273-R275 PolarHBondContact O-N 3.01Å; R275-G277 PolarHBondContact O-N 3.49Å; R275-E350 IonicContact CZ-OE1 2.71Å; R275-E350 IonicContact NE-OE1 3.17Å; R275-E350 IonicContact NH2-OE1 3.09Å; R275-E350 PolarHBondContact NH2-OE1 3.05Å; R275-P355 HydrophobicContact CB-CB 4.29Å; R275-P355 HydrophobicContact CB-CG 4.17Å; R275-P355 HydrophobicContact CG-CG 4.46Å
276F89.1Confident90.1Very high20 Ų2022.7 Ų22.79%0.08813%0.131CC..G310 helixtrans-76.3-1.9171.2-68.1-18.1000113.1I270 M273 T274 A280 L283 I335 P355 V357 A360I270-F276 HydrophobicContact CG2-CD2 4.17Å; I270-F276 HydrophobicContact CG2-CE2 4.16Å; M273-F276 HydrophobicContact CB-CB 4.36Å; M273-F276 HydrophobicContact CB-CD1 4.4Å; M273-F276 HydrophobicContact CB-CD2 3.48Å; M273-F276 VanDerWaalsContact CB-CD2 3.48Å; M273-F276 HydrophobicContact CB-CE2 3.78Å; M273-F276 HydrophobicContact CB-CG 3.82Å; M273-F276 HydrophobicContact CB-CZ 4.36Å; M273-F276 HydrophobicContact CG-CD2 4.02Å; M273-F276 HydrophobicContact CG-CE2 3.77Å; M273-F276 HydrophobicContact CG-CZ 4.2Å; M273-F276 PolarHBondContact O-N 3.12Å; M273-F276 VanDerWaalsContact O-N 3.09Å; T274-F276 PolarHBondContact O-N 3.27Å; F276-A280 HydrophobicContact CB-CB 3.98Å; F276-L283 HydrophobicContact CB-CD1 3.83Å; F276-L283 HydrophobicContact CD2-CD1 3.94Å; F276-L283 HydrophobicContact CG-CD1 4.09Å; F276-I335 HydrophobicContact CE2-CD1 3.87Å; F276-I335 HydrophobicContact CZ-CD1 3.65Å; F276-P355 HydrophobicContact CD1-CB 4.13Å; F276-P355 HydrophobicContact CE1-CB 3.54Å; F276-P355 HydrophobicContact CZ-CB 4.34Å; F276-V357 HydrophobicContact CB-CG2 4.09Å; F276-V357 HydrophobicContact CD1-CG2 3.7Å; F276-V357 HydrophobicContact CE1-CG2 4.24Å; F276-V357 HydrophobicContact CG-CG2 3.87Å; F276-A360 HydrophobicContact CE2-CB 4.2Å; F276-A360 HydrophobicContact CZ-CB 4Å
277G85.5Confident90Very high42 Ų4222.8 Ų22.843%0.43313%0.131SC..  trans87-167.6174.700000113T274 R275 D279 A280T274-G277 PolarHBondContact O-N 2.99Å; R275-G277 PolarHBondContact O-N 3.49Å; G277-D279 PolarHBondContact O-N 3.46Å; G277-D279 VanDerWaalsContact O-N 3.08Å; G277-A280 PolarHBondContact O-N 3.48Å
278S80.5Confident90Very high62 Ų6222.6 Ų22.643%0.43413%0.129SC..THydrogen-bonded Turntrans-59.2-21.7-177.545.10000114.2
279D84Confident90Very high46 Ų4623.5 Ų23.525%0.24613%0.134CC..THydrogen-bonded Turntrans-974.9-174.5-66.2-51.4000113.9G160 G277 K281 S282 L283G160-D279 WeakPolarHBondContact CA-OD1 3.17Å; G160-D279 PolarHBondContact N-OD1 3.01Å; G277-D279 PolarHBondContact O-N 3.46Å; G277-D279 VanDerWaalsContact O-N 3.08Å; D279-K281 PolarHBondContact O-N 3.24Å; D279-S282 PolarHBondContact O-N 3.3Å; D279-S282 PolarHBondContact O-OG 3.28Å; D279-L283 PolarHBondContact O-N 2.92Å; D279-L283 VanDerWaalsContact O-N 3.14Å
280A86.2Confident90Very high7 Ų724.6 Ų24.66%0.05814%0.141CC..THydrogen-bonded Turntrans-49.8-39.5-176.100000113.6M273 F276 G277 L283M273-A280 WeakPolarHBondContact O-CB 3.37Å; F276-A280 HydrophobicContact CB-CB 3.98Å; G277-A280 PolarHBondContact O-N 3.48Å; A280-L283 WeakPolarHBondContact O-CB 3.37Å; A280-L283 PolarHBondContact O-N 3.3Å
281K87Confident90Very high18 Ų1824.9 Ų24.98%0.07814%0.143CC..THydrogen-bonded Turntrans-70.5-33.9178.3-64.3179-178.7170.40112.9T34 W158 V162 I164 D279 L283 I284T34-K281 HydrophobicContact CG2-CG 4.49Å; W158-K281 HydrophobicContact CE3-CB 4.36Å; V162-K281 PolarHBondContact O-NZ 3Å; V162-K281 VanDerWaalsContact O-NZ 3.1Å; I164-K281 HydrophobicContact CD1-CD 3.82Å; I164-K281 HydrophobicContact CG1-CD 3.84Å; D279-K281 PolarHBondContact O-N 3.24Å; K281-L283 VanDerWaalsContact C-N 3.31Å; K281-I284 WeakPolarHBondContact O-CB 3.46Å; K281-I284 WeakPolarHBondContact O-CD1 3.48Å; K281-I284 VanDerWaalsContact O-CG1 3.22Å; K281-I284 WeakPolarHBondContact O-CG1 3.48Å; K281-I284 PolarHBondContact O-N 3.4Å
282S87.9Confident89.9Confident1 Ų124.7 Ų24.71%0.00714%0.141CC..THydrogen-bonded Turntrans-71.8-28.8176.180.30000111.8D279 I284 G285D279-S282 PolarHBondContact O-N 3.3Å; D279-S282 PolarHBondContact O-OG 3.28Å; S282-I284 PolarHBondContact O-N 3.34Å; S282-I284 VanDerWaalsContact O-N 3.14Å; S282-G285 PolarHBondContact O-N 2.86Å
283L92.3Very high89.9Confident15 Ų1528.1 Ų28.18%0.07916%0.157CC..Hα-helixtrans-61.3-20.8176.3-63.3179.9000113.4I270 F276 D279 A280 K281 G285 I286 S287 V357 M361I270-L283 HydrophobicContact CG2-CB 3.58Å; I270-L283 HydrophobicContact CG2-CD1 4.39Å; F276-L283 HydrophobicContact CB-CD1 3.83Å; F276-L283 HydrophobicContact CD2-CD1 3.94Å; F276-L283 HydrophobicContact CG-CD1 4.09Å; D279-L283 PolarHBondContact O-N 2.92Å; D279-L283 VanDerWaalsContact O-N 3.14Å; A280-L283 WeakPolarHBondContact O-CB 3.37Å; A280-L283 PolarHBondContact O-N 3.3Å; K281-L283 VanDerWaalsContact C-N 3.31Å; L283-G285 PolarHBondContact O-N 3.38Å; L283-I286 HydrophobicContact CD2-CD1 4.02Å; L283-I286 PolarHBondContact O-N 3.12Å; L283-S287 WeakPolarHBondContact O-CB 3.4Å; L283-S287 PolarHBondContact O-N 2.98Å; L283-V357 HydrophobicContact CD1-CB 4.37Å; L283-V357 HydrophobicContact CD1-CG1 3.78Å; L283-V357 HydrophobicContact CD1-CG2 3.7Å; L283-V357 HydrophobicContact CD2-CG1 3.78Å; L283-V357 HydrophobicContact CG-CG1 4.43Å; L283-M361 HydrophobicContact CB-CE 3.98Å; L283-M361 HydrophobicContact CD2-CE 4.43Å
284I92.4Very high89.9Confident1 Ų128 Ų281%0.00516%0.157CC..Hα-helixtrans-57.6-41172-52.5176000110.1I31 T34 G267 K281 S282 S287 G288I31-I284 HydrophobicContact CG2-CG2 4.02Å; T34-I284 HydrophobicContact CG2-CD1 3.91Å; G267-I284 WeakPolarHBondContact O-CG1 3.47Å; K281-I284 WeakPolarHBondContact O-CB 3.46Å; K281-I284 WeakPolarHBondContact O-CD1 3.48Å; K281-I284 VanDerWaalsContact O-CG1 3.22Å; K281-I284 WeakPolarHBondContact O-CG1 3.48Å; K281-I284 PolarHBondContact O-N 3.4Å; S282-I284 PolarHBondContact O-N 3.34Å; S282-I284 VanDerWaalsContact O-N 3.14Å; I284-S287 WeakPolarHBondContact O-CB 3.41Å; I284-S287 PolarHBondContact O-N 2.97Å; I284-G288 PolarHBondContact O-N 3.23Å
285G90.8Very high89.9Confident0 Ų026.7 Ų26.70%015%0.147CC..Hα-helixtrans-64.3-48.6175.200000112.2N151 S282 L283 S287 G288 I289N151-G285 VanDerWaalsContact CB-O 3.29Å; N151-G285 WeakPolarHBondContact CB-O 3.1Å; N151-G285 WeakPolarHBondContact O-CA 3.26Å; S282-G285 PolarHBondContact O-N 2.86Å; L283-G285 PolarHBondContact O-N 3.38Å; G285-S287 VanDerWaalsContact C-N 3.27Å; G285-S287 PolarHBondContact O-N 3.45Å; G285-G288 PolarHBondContact O-N 2.9Å; G285-G288 VanDerWaalsContact O-N 3.15Å; G285-I289 WeakPolarHBondContact O-CG1 3.49Å; G285-I289 PolarHBondContact O-N 3.42Å
286I93.3Very high89.7Confident47 Ų4723.2 Ų23.224%0.24114%0.139CC..Hα-helixtrans-60.1-41.8177.3-60.1178.8000110.7Y155 L283 G288 I289 C290 M361Y155-I286 HydrophobicContact CD2-CD1 3.65Å; Y155-I286 HydrophobicContact CD2-CG1 3.53Å; Y155-I286 HydrophobicContact CE2-CD1 3.33Å; Y155-I286 HydrophobicContact CE2-CG1 3.8Å; Y155-I286 HydrophobicContact CG-CD1 4.45Å; Y155-I286 HydrophobicContact CG-CG1 4.03Å; L283-I286 HydrophobicContact CD2-CD1 4.02Å; L283-I286 PolarHBondContact O-N 3.12Å; I286-G288 VanDerWaalsContact C-N 3.35Å; I286-G288 PolarHBondContact O-N 3.15Å; I286-I289 WeakPolarHBondContact O-CB 3.46Å; I286-I289 PolarHBondContact O-N 3.37Å; I286-I289 VanDerWaalsContact O-N 3.16Å; I286-C290 PolarHBondContact O-N 2.71Å; I286-C290 PolarHBondContact O-SG 2.87Å; I286-M361 HydrophobicContact CB-SD 3.83Å; I286-M361 HydrophobicContact CG2-CG 4.09Å; I286-M361 HydrophobicContact CG2-SD 3.44Å; I286-M361 WeakPolarHBondContact CG2-SD 3.21Å
287S94.4Very high89.6Confident2 Ų225.8 Ų25.81%0.01415%0.152CC..Hα-helixtrans-56.9-47.3175.6177.90000111.8I270 L283 I284 G285 I289 C290 I291 S364I270-S287 WeakPolarHBondContact CD1-OG 3.12Å; L283-S287 WeakPolarHBondContact O-CB 3.4Å; L283-S287 PolarHBondContact O-N 2.98Å; I284-S287 WeakPolarHBondContact O-CB 3.41Å; I284-S287 PolarHBondContact O-N 2.97Å; G285-S287 VanDerWaalsContact C-N 3.27Å; G285-S287 PolarHBondContact O-N 3.45Å; S287-I289 VanDerWaalsContact C-N 3.31Å; S287-I289 PolarHBondContact O-N 2.84Å; S287-C290 PolarHBondContact O-N 3.43Å; S287-I291 WeakPolarHBondContact O-CG1 3.48Å; S287-I291 PolarHBondContact O-N 2.96Å; S287-S364 WeakPolarHBondContact CB-OG 3.28Å; S287-S364 WeakPolarHBondContact O-CB 3.28Å; S287-S364 WeakPolarHBondContact OG-CB 3.46Å; S287-S364 PolarHBondContact OG-OG 2.91Å
288G91.7Very high89.5Confident1 Ų123.8 Ų23.81%0.0113%0.132CC..Hα-helixtrans-60.7-37.5176.600000113.5I284 G285 I286 G292I284-G288 PolarHBondContact O-N 3.23Å; G285-G288 PolarHBondContact O-N 2.9Å; G285-G288 VanDerWaalsContact O-N 3.15Å; I286-G288 VanDerWaalsContact C-N 3.35Å; I286-G288 PolarHBondContact O-N 3.15Å; G288-G292 PolarHBondContact O-N 2.87Å; G288-G292 VanDerWaalsContact O-N 3.08Å
289I93.4Very high89.3Confident24 Ų2422 Ų2212%0.12312%0.124CC..Hα-helixtrans-64.9-45.9173.5-65.6169.4000110.8F148 N151 L152 G285 I286 S287 I291 G292 L293F148-I289 HydrophobicContact CD2-CG1 4.41Å; F148-I289 HydrophobicContact CD2-CG2 3.92Å; F148-I289 HydrophobicContact CE2-CG2 4.13Å; N151-I289 HydrophobicContact CB-CG1 3.93Å; L152-I289 HydrophobicContact CB-CD1 4.08Å; L152-I289 HydrophobicContact CD1-CD1 4.4Å; G285-I289 WeakPolarHBondContact O-CG1 3.49Å; G285-I289 PolarHBondContact O-N 3.42Å; I286-I289 WeakPolarHBondContact O-CB 3.46Å; I286-I289 PolarHBondContact O-N 3.37Å; I286-I289 VanDerWaalsContact O-N 3.16Å; S287-I289 VanDerWaalsContact C-N 3.31Å; S287-I289 PolarHBondContact O-N 2.84Å; I289-I291 VanDerWaalsContact C-N 3.35Å; I289-I291 PolarHBondContact O-N 2.76Å; I289-G292 PolarHBondContact O-N 3.41Å; I289-L293 HydrophobicContact CG2-CD1 4.2Å; I289-L293 HydrophobicContact CG2-CG 4.47Å; I289-L293 WeakPolarHBondContact O-CG 3.42Å; I289-L293 PolarHBondContact O-N 2.91Å
290C95.2Very high88.9Confident23 Ų2321.7 Ų21.716%0.15513%0.13CC..Hα-helixtrans-61.1-42178.6-72.80000112.1I286 S287 L293 G294 F365I286-C290 PolarHBondContact O-N 2.71Å; I286-C290 PolarHBondContact O-SG 2.87Å; S287-C290 PolarHBondContact O-N 3.43Å; C290-L293 PolarHBondContact O-N 3.09Å; C290-G294 PolarHBondContact O-N 3.42Å; C290-F365 HydrophobicContact CB-CB 4.32Å; C290-F365 WeakPolarHBondContact O-CA 3.38Å
291I93.3Very high88.6Confident5 Ų525.4 Ų25.43%0.02615%0.149CC..Hα-helixtrans-57.7-52.7173.1-71.2158.1000110.3Y262 S287 I289 L293 G294 E295 S364Y262-I291 HydrophobicContact CD2-CD1 4.11Å; Y262-I291 HydrophobicContact CD2-CG1 4.49Å; Y262-I291 HydrophobicContact CD2-CG2 3.53Å; Y262-I291 HydrophobicContact CE2-CG2 3.71Å; Y262-I291 HydrophobicContact CG-CG2 4.4Å; Y262-I291 WeakPolarHBondContact O-CD1 3.32Å; S287-I291 WeakPolarHBondContact O-CG1 3.48Å; S287-I291 PolarHBondContact O-N 2.96Å; I289-I291 VanDerWaalsContact C-N 3.35Å; I289-I291 PolarHBondContact O-N 2.76Å; I291-L293 VanDerWaalsContact C-N 3.29Å; I291-L293 PolarHBondContact O-N 2.88Å; I291-G294 WeakPolarHBondContact O-CA 3.44Å; I291-G294 PolarHBondContact O-N 3.44Å; I291-E295 PolarHBondContact O-N 2.76Å; I291-S364 WeakPolarHBondContact CA-O 3.28Å; I291-S364 WeakPolarHBondContact CG1-O 3.43Å
292G89.6Confident87.8Confident4 Ų425.6 Ų25.64%0.04115%0.15CC..Hα-helixtrans-60.1-37-179.400000113.1G288 I289 E295 I296G288-G292 PolarHBondContact O-N 2.87Å; G288-G292 VanDerWaalsContact O-N 3.08Å; I289-G292 PolarHBondContact O-N 3.41Å; G292-E295 PolarHBondContact O-N 3.36Å; G292-I296 VanDerWaalsContact O-CG1 3.26Å; G292-I296 WeakPolarHBondContact O-CG1 3.49Å; G292-I296 PolarHBondContact O-N 3.01Å
293L91.8Very high86.7Confident83 Ų8327.2 Ų27.244%0.43517%0.166SC..Hα-helixtrans-63.8-42172.7-72.7174.1000112.1I289 C290 I291 I296 I297 F365I289-L293 HydrophobicContact CG2-CD1 4.2Å; I289-L293 HydrophobicContact CG2-CG 4.47Å; I289-L293 WeakPolarHBondContact O-CG 3.42Å; I289-L293 PolarHBondContact O-N 2.91Å; C290-L293 PolarHBondContact O-N 3.09Å; I291-L293 VanDerWaalsContact C-N 3.29Å; I291-L293 PolarHBondContact O-N 2.88Å; L293-I296 PolarHBondContact O-N 3.36Å; L293-I297 WeakPolarHBondContact O-CB 3.32Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.43Å; L293-I297 PolarHBondContact O-N 3.49Å; L293-F365 HydrophobicContact CB-CD2 4.28Å; L293-F365 HydrophobicContact CB-CE2 4.36Å
294G91.6Very high85.3Confident0 Ų033.3 Ų33.30%020%0.196CC..Hα-helixtrans-58.8-46.8174.300000111.9C290 I291 I297 G298C290-G294 PolarHBondContact O-N 3.42Å; I291-G294 WeakPolarHBondContact O-CA 3.44Å; I291-G294 PolarHBondContact O-N 3.44Å; G294-I297 PolarHBondContact O-N 3.23Å; G294-G298 PolarHBondContact O-N 3.47Å
295E88.4Confident83.9Confident17 Ų1736.8 Ų36.88%0.07921%0.214CC..Hα-helixtrans-62.8-46178.4-76.4-166.583.900112.8Q144 L147 I291 G292 G299Q144-E295 PolarHBondContact NE2-OE1 3.24Å; L147-E295 WeakPolarHBondContact CD1-OE2 3.34Å; I291-E295 PolarHBondContact O-N 2.76Å; G292-E295 PolarHBondContact O-N 3.36Å; E295-G299 PolarHBondContact O-N 3.42Å
296I84.6Confident82.3Confident70 Ų7038.9 Ų38.936%0.35923%0.226SC..Hα-helixtrans-63.9-45.2-179.8-69.4166.8000110.6Q144 G292 L293 G300Q144-I296 HydrophobicContact CB-CD1 4.37Å; Q144-I296 HydrophobicContact CB-CG1 4.07Å; G292-I296 VanDerWaalsContact O-CG1 3.26Å; G292-I296 WeakPolarHBondContact O-CG1 3.49Å; G292-I296 PolarHBondContact O-N 3.01Å; L293-I296 PolarHBondContact O-N 3.36Å; I296-G300 PolarHBondContact O-N 2.74Å
297I87.8Confident80.6Confident74 Ų7445.9 Ų45.938%0.37925%0.254SS..Hα-helixtrans-66.6-47.7-179.5-70.2176.8000110.3L293 G294 G300 I301 F365L293-I297 WeakPolarHBondContact O-CB 3.32Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.43Å; L293-I297 PolarHBondContact O-N 3.49Å; G294-I297 PolarHBondContact O-N 3.23Å; I297-G300 PolarHBondContact O-N 3.43Å; I297-I301 HydrophobicContact CG2-CD1 3.58Å; I297-I301 HydrophobicContact CG2-CG1 4.41Å; I297-I301 WeakPolarHBondContact O-CB 3.38Å; I297-I301 VanDerWaalsContact O-CG1 3.27Å; I297-I301 WeakPolarHBondContact O-CG1 3.46Å; I297-I301 PolarHBondContact O-N 3.46Å; I297-F365 HydrophobicContact CD1-CE2 4.01Å; I297-F365 HydrophobicContact CD1-CZ 4.24Å
298G84.1Confident78.7Confident0 Ų053.6 Ų53.60%029%0.288CS..Hα-helixtrans-65.8-47.4179.200000112.6G294 G300 I301 F302 S372G294-G298 PolarHBondContact O-N 3.47Å; G298-G300 VanDerWaalsContact C-N 3.33Å; G298-G300 PolarHBondContact O-N 2.97Å; G298-I301 PolarHBondContact O-N 3.27Å; G298-F302 WeakPolarHBondContact O-CB 3.48Å; G298-F302 WeakPolarHBondContact O-CD2 3.44Å; G298-F302 PolarHBondContact O-N 3.15Å; G298-S372 WeakPolarHBondContact CA-OG 3.34Å
299G76.5Confident76.9Confident25 Ų2560.1 Ų60.126%0.25832%0.322SS..Hα-helixtrans-60.4-40.8176.800000112.8E295 G303E295-G299 PolarHBondContact O-N 3.42Å; G299-G303 VanDerWaalsContact O-CA 3.3Å; G299-G303 WeakPolarHBondContact O-CA 3.45Å; G299-G303 PolarHBondContact O-N 3.32Å
300G74.9Confident75Confident38 Ų3869.9 Ų69.939%0.39236%0.357SS..Hα-helixtrans-67-52.4176.700000113.1I296 I297 G298 M304I296-G300 PolarHBondContact O-N 2.74Å; I297-G300 PolarHBondContact O-N 3.43Å; G298-G300 VanDerWaalsContact C-N 3.33Å; G298-G300 PolarHBondContact O-N 2.97Å; G300-M304 WeakPolarHBondContact O-CB 3.27Å; G300-M304 VanDerWaalsContact O-CG 3.27Å; G300-M304 WeakPolarHBondContact O-CG 3.46Å; G300-M304 PolarHBondContact O-N 3.21Å
301I79.1Confident73.4Confident86 Ų8675.7 Ų75.744%0.44138%0.38SS..Hα-helixtrans-65.4-51.7-177.7-68.7174.5000110.6I297 G298 M304 L305I297-I301 HydrophobicContact CG2-CD1 3.58Å; I297-I301 HydrophobicContact CG2-CG1 4.41Å; I297-I301 WeakPolarHBondContact O-CB 3.38Å; I297-I301 VanDerWaalsContact O-CG1 3.27Å; I297-I301 WeakPolarHBondContact O-CG1 3.46Å; I297-I301 PolarHBondContact O-N 3.46Å; G298-I301 PolarHBondContact O-N 3.27Å; I301-M304 PolarHBondContact O-N 3.28Å; I301-L305 HydrophobicContact CG2-CD1 3.63Å; I301-L305 WeakPolarHBondContact O-CB 3.31Å; I301-L305 WeakPolarHBondContact O-CD1 3.46Å; I301-L305 VanDerWaalsContact O-CG 3.27Å; I301-L305 WeakPolarHBondContact O-CG 3.26Å; I301-L305 PolarHBondContact O-N 3.03Å
302F71.1Confident72.3Confident22 Ų2277.8 Ų77.810%0.09640%0.403CS..Hα-helixtrans-79.9-28.9-173.9-58.3-59.5000113.2G298 M304 L305 N306 V316 L319 L369 C373G298-F302 WeakPolarHBondContact O-CB 3.48Å; G298-F302 WeakPolarHBondContact O-CD2 3.44Å; G298-F302 PolarHBondContact O-N 3.15Å; F302-M304 VanDerWaalsContact C-N 3.33Å; F302-L305 HydrophobicContact CD1-CD1 3.74Å; F302-L305 HydrophobicContact CE1-CD1 4.05Å; F302-L305 PolarHBondContact O-N 3.04Å; F302-N306 PolarHBondContact O-N 3.49Å; F302-V316 HydrophobicContact CB-CG1 3.87Å; F302-V316 HydrophobicContact CD1-CB 4.39Å; F302-V316 HydrophobicContact CD1-CG1 3.67Å; F302-V316 HydrophobicContact CD1-CG2 3.87Å; F302-V316 HydrophobicContact CD2-CG1 4.18Å; F302-V316 HydrophobicContact CE1-CG1 4.33Å; F302-V316 HydrophobicContact CG-CG1 3.62Å; F302-L319 HydrophobicContact CE1-CD2 3.81Å; F302-L319 HydrophobicContact CE2-CD2 4.28Å; F302-L319 HydrophobicContact CZ-CD2 3.36Å; F302-L369 HydrophobicContact CE2-CD1 4.29Å; F302-C373 WeakPolarHBondContact CD2-SG 3.12Å; F302-C373 WeakPolarHBondContact CE2-SG 3.48Å
303G63.9Low72Confident35 Ų3579 Ų7936%0.36141%0.406SS..Hα-helixtrans-62.6-39.1169.600000112.4G299G299-G303 VanDerWaalsContact O-CA 3.3Å; G299-G303 WeakPolarHBondContact O-CA 3.45Å; G299-G303 PolarHBondContact O-N 3.32Å
304M63.7Low71.8Confident143 Ų14377.8 Ų77.870%0.70440%0.4SS*.Hα-helixtrans-76.5-35.8176.5-71.5-178.366.700113.4G300 I301 F302 N306 K307G300-M304 WeakPolarHBondContact O-CB 3.27Å; G300-M304 VanDerWaalsContact O-CG 3.27Å; G300-M304 WeakPolarHBondContact O-CG 3.46Å; G300-M304 PolarHBondContact O-N 3.21Å; I301-M304 PolarHBondContact O-N 3.28Å; F302-M304 VanDerWaalsContact C-N 3.33Å; M304-N306 VanDerWaalsContact C-N 3.32Å; M304-N306 PolarHBondContact O-N 3.4Å; M304-K307 WeakPolarHBondContact O-CB 3.38Å; M304-K307 PolarHBondContact O-N 2.92Å
305L61.9Low71.6Confident74 Ų7480.9 Ų80.939%0.38742%0.42SS..Hα-helixtrans-63.4-37.4177.9-79.9163.4000112.1I301 F302 K307 K308I301-L305 HydrophobicContact CG2-CD1 3.63Å; I301-L305 WeakPolarHBondContact O-CB 3.31Å; I301-L305 WeakPolarHBondContact O-CD1 3.46Å; I301-L305 VanDerWaalsContact O-CG 3.27Å; I301-L305 WeakPolarHBondContact O-CG 3.26Å; I301-L305 PolarHBondContact O-N 3.03Å; F302-L305 HydrophobicContact CD1-CD1 3.74Å; F302-L305 HydrophobicContact CE1-CD1 4.05Å; F302-L305 PolarHBondContact O-N 3.04Å; L305-K307 PolarHBondContact O-N 3.05Å; L305-K308 PolarHBondContact O-N 3.45Å
306N58Low71.7Confident44 Ų4480.8 Ų80.824%0.23542%0.421CS..Hα-helixtrans-61.2-29.4178-1508.4000112.2F302 M304 K308 S380F302-N306 PolarHBondContact O-N 3.49Å; M304-N306 VanDerWaalsContact C-N 3.32Å; M304-N306 PolarHBondContact O-N 3.4Å; N306-K308 VanDerWaalsContact C-N 3.29Å; N306-K308 PolarHBondContact O-N 3.15Å; N306-S380 WeakPolarHBondContact ND2-CB 3.37Å; N306-S380 PolarHBondContact ND2-OG 2.88Å
307K57.6Low72Confident193 Ų19377.4 Ų77.484%0.83940%0.404SS*.THydrogen-bonded Turntrans-72.7-20.1177.8-155.9174.5-174.7176.60113.5M304 L305M304-K307 WeakPolarHBondContact O-CB 3.38Å; M304-K307 PolarHBondContact O-N 2.92Å; L305-K307 PolarHBondContact O-N 3.05Å
308K54.3Low72.2Confident165 Ų16577.8 Ų77.872%0.71741%0.406SS*.THydrogen-bonded Turntrans-94.52.8-176.1-78.8-173.6177.1179.30114.2L305 N306 R310L305-K308 PolarHBondContact O-N 3.45Å; N306-K308 VanDerWaalsContact C-N 3.29Å; N306-K308 PolarHBondContact O-N 3.15Å; K308-R310 PolarHBondContact O-N 2.75Å
309N54.2Low72.6Confident137 Ų13781.2 Ų81.273%0.73342%0.424SS*.  trans49.34.7170.5-10920000117.9
310R53.8Low73.5Confident230 Ų23080 Ų8087%0.86841%0.412SS*.SBendtrans-84.5-23.3-178.5-78.7-166.7-164.3-179.74113.5K308K308-R310 PolarHBondContact O-N 2.75Å
311F60.5Low74.5Confident145 Ų14579 Ų7964%0.63640%0.397SS*.SBendtrans-124.7123.9176.7-81.6-93.6000107.3P315F311-P315 HydrophobicContact CD1-CG 4.46Å
312G71.9Confident75.3Confident48 Ų4879.2 Ų79.250%0.49540%0.398SS..  trans-66.6-176.317700000112.8P315G312-P315 WeakPolarHBondContact O-CD 3.35Å
313R82.6Confident76.5Confident29 Ų2978.8 Ų78.811%0.10940%0.397CS..Hα-helixtrans-71.5-34.1-178-55.9-174.4-175.2119.71.6113.2V316 V317 S380 F435 E439R313-V316 PolarHBondContact O-N 3.17Å; R313-V316 VanDerWaalsContact O-N 3.15Å; R313-V317 PolarHBondContact O-N 3.49Å; R313-S380 PolarHBondContact NE-OG 2.98Å; R313-S380 VanDerWaalsContact NE-OG 3.12Å; R313-S380 PolarHBondContact NH2-O 3.14Å; R313-F435 HydrophobicContact CB-CE1 4.16Å; R313-F435 HydrophobicContact CB-CZ 4.1Å; R313-E439 WeakPolarHBondContact CG-OE1 3.25Å; R313-E439 IonicContact CZ-OE2 2.8Å; R313-E439 IonicContact NH1-OE1 2.74Å; R313-E439 PolarHBondContact NH1-OE1 3.2Å; R313-E439 IonicContact NH1-OE2 3.71Å; R313-E439 PolarHBondContact NH1-OE2 3.05Å
314N86.9Confident78.1Confident59 Ų5977.2 Ų77.232%0.31638%0.38SS..Hα-helixtrans-58.1-45.1-172-66.3-11.2000115.1V316 V317 L318 F436 E439N314-V316 VanDerWaalsContact C-N 3.26Å; N314-V316 PolarHBondContact O-N 3.17Å; N314-V317 PolarHBondContact O-N 2.85Å; N314-L318 WeakPolarHBondContact O-CB 3.44Å; N314-L318 PolarHBondContact O-N 3.37Å; N314-F436 HydrophobicContact CB-CD1 3.98Å; N314-F436 HydrophobicContact CB-CE1 3.86Å; N314-F436 WeakPolarHBondContact OD1-CD1 3.27Å; N314-E439 WeakPolarHBondContact OD1-CG 3.13Å
315P88.7Confident79.8Confident64 Ų6473.2 Ų73.242%0.41636%0.359SS..Hα-helixtrans-60-34177-25.835.6000113.8F311 G312 L319F311-P315 HydrophobicContact CD1-CG 4.46Å; G312-P315 WeakPolarHBondContact O-CD 3.35Å; P315-L319 WeakPolarHBondContact O-CB 3.22Å; P315-L319 PolarHBondContact O-N 2.93Å
316V89.6Confident81.5Confident15 Ų1573 Ų739%0.09136%0.361CS..Hα-helixtrans-71.8-42.7179.2-178.70000110.6F302 R313 N314 L318 L319 G320 C373 Q377F302-V316 HydrophobicContact CB-CG1 3.87Å; F302-V316 HydrophobicContact CD1-CB 4.39Å; F302-V316 HydrophobicContact CD1-CG1 3.67Å; F302-V316 HydrophobicContact CD1-CG2 3.87Å; F302-V316 HydrophobicContact CD2-CG1 4.18Å; F302-V316 HydrophobicContact CE1-CG1 4.33Å; F302-V316 HydrophobicContact CG-CG1 3.62Å; R313-V316 PolarHBondContact O-N 3.17Å; R313-V316 VanDerWaalsContact O-N 3.15Å; N314-V316 VanDerWaalsContact C-N 3.26Å; N314-V316 PolarHBondContact O-N 3.17Å; V316-L318 VanDerWaalsContact C-N 3.33Å; V316-L318 PolarHBondContact O-N 3.31Å; V316-L319 PolarHBondContact O-N 2.8Å; V316-G320 PolarHBondContact O-N 2.72Å; V316-C373 HydrophobicContact CG1-CB 4.07Å; V316-Q377 HydrophobicContact CB-CG 3.83Å; V316-Q377 HydrophobicContact CG1-CG 3.73Å
317V91.1Very high83.4Confident0 Ų070.9 Ų70.90%035%0.35CS..Hα-helixtrans-64-40.2174.5175.80000111.3R313 N314 G320 L321 F374 Q377 F435 F436R313-V317 PolarHBondContact O-N 3.49Å; N314-V317 PolarHBondContact O-N 2.85Å; V317-G320 PolarHBondContact O-N 3.35Å; V317-L321 PolarHBondContact O-N 2.97Å; V317-F374 HydrophobicContact CG1-CD1 4.21Å; V317-F374 HydrophobicContact CG1-CE1 3.77Å; V317-F374 HydrophobicContact CG1-CZ 4.13Å; V317-Q377 HydrophobicContact CG2-CB 3.57Å; V317-Q377 HydrophobicContact CG2-CG 3.78Å; V317-F435 HydrophobicContact CB-CD1 4.21Å; V317-F435 HydrophobicContact CB-CE1 4.28Å; V317-F435 HydrophobicContact CG1-CD1 4.13Å; V317-F435 HydrophobicContact CG1-CG 4.34Å; V317-F435 HydrophobicContact CG2-CD1 3.79Å; V317-F435 HydrophobicContact CG2-CD2 4.46Å; V317-F435 HydrophobicContact CG2-CE1 3.49Å; V317-F435 VanDerWaalsContact CG2-CE1 3.49Å; V317-F435 HydrophobicContact CG2-CE2 4.18Å; V317-F435 HydrophobicContact CG2-CG 4.29Å; V317-F435 HydrophobicContact CG2-CZ 3.71Å; V317-F436 HydrophobicContact CB-CE1 4.11Å; V317-F436 HydrophobicContact CG1-CE1 4.09Å; V317-F436 HydrophobicContact CG1-CZ 4.38Å
318L92.6Very high85.4Confident81 Ų8161.9 Ų61.942%0.42431%0.31SS..Hα-helixtrans-63.3-41.9176.1-175.264.2000111.9N314 V316 G320 L321 I322 F436N314-L318 WeakPolarHBondContact O-CB 3.44Å; N314-L318 PolarHBondContact O-N 3.37Å; V316-L318 VanDerWaalsContact C-N 3.33Å; V316-L318 PolarHBondContact O-N 3.31Å; L318-G320 VanDerWaalsContact C-N 3.34Å; L318-L321 PolarHBondContact O-N 3Å; L318-I322 HydrophobicContact CD1-CD1 4.37Å; L318-I322 HydrophobicContact CG-CD1 4.05Å; L318-I322 VanDerWaalsContact O-CG1 3.32Å; L318-I322 WeakPolarHBondContact O-CG1 3.23Å; L318-I322 PolarHBondContact O-N 3.37Å; L318-F436 HydrophobicContact CB-CZ 4.25Å
319L92.7Very high87.4Confident73 Ų7360.1 Ų60.138%0.38230%0.303SS..Hα-helixtrans-61.2-44.3173.717863.7000111.3F302 P315 V316 L321 I322 T323F302-L319 HydrophobicContact CE1-CD2 3.81Å; F302-L319 HydrophobicContact CE2-CD2 4.28Å; F302-L319 HydrophobicContact CZ-CD2 3.36Å; P315-L319 WeakPolarHBondContact O-CB 3.22Å; P315-L319 PolarHBondContact O-N 2.93Å; V316-L319 PolarHBondContact O-N 2.8Å; L319-L321 PolarHBondContact O-N 3.37Å; L319-I322 PolarHBondContact O-N 3.01Å; L319-T323 VanDerWaalsContact O-CB 3.28Å; L319-T323 WeakPolarHBondContact O-CB 3.42Å; L319-T323 PolarHBondContact O-N 3.43Å; L319-T323 PolarHBondContact O-OG1 3.25Å
320G93.9Very high89.5Confident0 Ų055.9 Ų55.90%028%0.28CS..Hα-helixtrans-56.7-47.9174.300000112.1V316 V317 L318 T323 H324V316-G320 PolarHBondContact O-N 2.72Å; V317-G320 PolarHBondContact O-N 3.35Å; L318-G320 VanDerWaalsContact C-N 3.34Å; G320-T323 WeakPolarHBondContact O-CB 3.22Å; G320-T323 PolarHBondContact O-N 3.23Å; G320-H324 PolarHBondContact O-N 3.02Å
321L95.8Very high91.6Very high16 Ų1645 Ų458%0.08424%0.239CC..Hα-helixtrans-60.4-48.5178.9-177.669.2000112.1V317 L318 L319 T323 H324 F325 F374V317-L321 PolarHBondContact O-N 2.97Å; L318-L321 PolarHBondContact O-N 3Å; L319-L321 PolarHBondContact O-N 3.37Å; L321-T323 VanDerWaalsContact C-N 3.3Å; L321-T323 PolarHBondContact O-N 2.87Å; L321-H324 PolarHBondContact O-N 3.35Å; L321-F325 HydrophobicContact CD1-CD1 3.98Å; L321-F325 HydrophobicContact CD1-CE1 3.4Å; L321-F325 HydrophobicContact CD1-CE2 4.21Å; L321-F325 HydrophobicContact CD1-CZ 3.54Å; L321-F325 HydrophobicContact CG-CD1 4.47Å; L321-F325 HydrophobicContact CG-CE1 4.22Å; L321-F325 HydrophobicContact CG-CE2 4.35Å; L321-F325 HydrophobicContact CG-CZ 4.17Å; L321-F325 WeakPolarHBondContact O-CB 3.16Å; L321-F325 WeakPolarHBondContact O-CD1 3.3Å; L321-F325 WeakPolarHBondContact O-CG 3.37Å; L321-F325 PolarHBondContact O-N 3.37Å; L321-F374 HydrophobicContact CB-CE2 4.33Å; L321-F374 HydrophobicContact CB-CZ 4.1Å; L321-F374 HydrophobicContact CD1-CZ 4.3Å
322I96.9Very high93.3Very high91 Ų9141.7 Ų41.747%0.46723%0.225SC..Hα-helixtrans-61.6-43.6178.3-67.4167.1000110L318 L319 F325 V326L318-I322 HydrophobicContact CD1-CD1 4.37Å; L318-I322 HydrophobicContact CG-CD1 4.05Å; L318-I322 VanDerWaalsContact O-CG1 3.32Å; L318-I322 WeakPolarHBondContact O-CG1 3.23Å; L318-I322 PolarHBondContact O-N 3.37Å; L319-I322 PolarHBondContact O-N 3.01Å; I322-F325 PolarHBondContact O-N 2.86Å; I322-V326 HydrophobicContact CG2-CG2 4.38Å; I322-V326 WeakPolarHBondContact O-CB 3.07Å; I322-V326 VanDerWaalsContact O-CG2 3.29Å; I322-V326 WeakPolarHBondContact O-CG2 3.42Å; I322-V326 PolarHBondContact O-N 3.24Å
323T96.8Very high94.4Very high13 Ų1341.2 Ų41.28%0.0821%0.211CC..Hα-helixtrans-59.6-48.1178.5-58.70000111L319 G320 L321 V326 A327 L366 L369L319-T323 VanDerWaalsContact O-CB 3.28Å; L319-T323 WeakPolarHBondContact O-CB 3.42Å; L319-T323 PolarHBondContact O-N 3.43Å; L319-T323 PolarHBondContact O-OG1 3.25Å; G320-T323 WeakPolarHBondContact O-CB 3.22Å; G320-T323 PolarHBondContact O-N 3.23Å; L321-T323 VanDerWaalsContact C-N 3.3Å; L321-T323 PolarHBondContact O-N 2.87Å; T323-V326 PolarHBondContact O-N 3.16Å; T323-A327 WeakPolarHBondContact O-CB 3.47Å; T323-A327 PolarHBondContact O-N 3.04Å; T323-L366 HydrophobicContact CG2-CB 3.88Å; T323-L366 HydrophobicContact CG2-CD2 3.8Å; T323-L366 HydrophobicContact CG2-CG 4.4Å; T323-L366 VanDerWaalsContact CG2-O 3.23Å; T323-L366 WeakPolarHBondContact CG2-O 3.44Å; T323-L369 HydrophobicContact CG2-CB 4.33Å; T323-L369 HydrophobicContact CG2-CD2 4.18Å; T323-L369 HydrophobicContact CG2-CG 4.4Å
324H97.7Very high95Very high1 Ų139.9 Ų39.91%0.00521%0.205CC..Hα-helixtrans-62.5-43.9176-80.2155.6000112.4Y254 E258 G320 L321 V326 A327 F328 L367 D371 F374Y254-H324 AromaticContact CE1-ND1 3.78Å; Y254-H324 AromaticContact CZ-ND1 3.66Å; Y254-H324 WeakPolarHBondContact OH-CB 3.49Å; Y254-H324 PolarHBondContact OH-CE1 3.47Å; Y254-H324 VanDerWaalsContact OH-CG 3.25Å; Y254-H324 PolarHBondContact OH-ND1 3.39Å; E258-H324 VanDerWaalsContact CD-NE2 3.35Å; E258-H324 IonicContact OE1-CD2 3.51Å; E258-H324 IonicContact OE1-CE1 2.97Å; E258-H324 IonicContact OE1-NE2 3.66Å; E258-H324 PolarHBondContact OE1-NE2 3.13Å; G320-H324 PolarHBondContact O-N 3.02Å; L321-H324 PolarHBondContact O-N 3.35Å; H324-V326 PolarHBondContact O-N 3.27Å; H324-A327 CarbonylContact O-C 3.18Å; H324-A327 WeakPolarHBondContact O-CB 3.41Å; H324-A327 PolarHBondContact O-N 2.98Å; H324-A327 VanDerWaalsContact O-N 3.16Å; H324-F328 HydrophobicContact CB-CD2 4.43Å; H324-F328 HydrophobicContact CB-CE2 3.78Å; H324-F328 HydrophobicContact CB-CZ 3.87Å; H324-F328 WeakPolarHBondContact O-CD2 3.45Å; H324-F328 WeakPolarHBondContact O-CG 3.42Å; H324-F328 PolarHBondContact O-N 3.42Å; H324-L367 PolarHBondContact NE2-O 3.43Å; H324-D371 PolarHBondContact CE1-N 2.85Å; H324-D371 VanDerWaalsContact CE1-N 3.34Å; H324-D371 PolarHBondContact NE2-N 3.34Å; H324-F374 AromaticContact ND1-CD2 3.83Å; H324-F374 AromaticContact ND1-CE2 3.69Å
325F98.1Very high95.5Very high60 Ų6037.2 Ų37.226%0.26319%0.191SC..Hα-helixtrans-65.8-39.3-179.8-7916.3000112.4L321 I322 F328 F329 V425 F429L321-F325 HydrophobicContact CD1-CD1 3.98Å; L321-F325 HydrophobicContact CD1-CE1 3.4Å; L321-F325 HydrophobicContact CD1-CE2 4.21Å; L321-F325 HydrophobicContact CD1-CZ 3.54Å; L321-F325 HydrophobicContact CG-CD1 4.47Å; L321-F325 HydrophobicContact CG-CE1 4.22Å; L321-F325 HydrophobicContact CG-CE2 4.35Å; L321-F325 HydrophobicContact CG-CZ 4.17Å; L321-F325 WeakPolarHBondContact O-CB 3.16Å; L321-F325 WeakPolarHBondContact O-CD1 3.3Å; L321-F325 WeakPolarHBondContact O-CG 3.37Å; L321-F325 PolarHBondContact O-N 3.37Å; I322-F325 PolarHBondContact O-N 2.86Å; F325-F328 HydrophobicContact CD1-CD2 4.13Å; F325-F328 HydrophobicContact CD1-CE2 4.36Å; F325-F328 PolarHBondContact O-N 3.15Å; F325-F329 VanDerWaalsContact O-CB 3.31Å; F325-F329 WeakPolarHBondContact O-CB 3.42Å; F325-F329 PolarHBondContact O-N 2.74Å; F325-V425 HydrophobicContact CD1-CG2 4.42Å; F325-V425 HydrophobicContact CE1-CB 4.32Å; F325-V425 HydrophobicContact CE1-CG1 4.18Å; F325-V425 HydrophobicContact CE1-CG2 4.36Å; F325-V425 HydrophobicContact CE2-CG1 4.24Å; F325-V425 HydrophobicContact CZ-CB 4.49Å; F325-V425 HydrophobicContact CZ-CG1 3.88Å; F325-V425 WeakPolarHBondContact CZ-O 3.29Å; F325-F429 HydrophobicContact CZ-CB 4.16Å
326V98.2Very high95.7Very high69 Ų6934.1 Ų34.142%0.41817%0.171SC..Hα-helixtrans-61.9-45.6171.9171.40000110.1I322 T323 H324 F329 L330 L366I322-V326 HydrophobicContact CG2-CG2 4.38Å; I322-V326 WeakPolarHBondContact O-CB 3.07Å; I322-V326 VanDerWaalsContact O-CG2 3.29Å; I322-V326 WeakPolarHBondContact O-CG2 3.42Å; I322-V326 PolarHBondContact O-N 3.24Å; T323-V326 PolarHBondContact O-N 3.16Å; H324-V326 PolarHBondContact O-N 3.27Å; V326-F329 PolarHBondContact O-N 3.39Å; V326-L330 HydrophobicContact CG1-CD1 3.87Å; V326-L330 HydrophobicContact CG1-CG 4.35Å; V326-L330 WeakPolarHBondContact O-CB 3.32Å; V326-L330 VanDerWaalsContact O-CG 3.26Å; V326-L330 WeakPolarHBondContact O-CG 3.37Å; V326-L330 PolarHBondContact O-N 2.8Å; V326-L366 HydrophobicContact CG1-CD1 4.15Å
327A98.2Very high95.9Very high0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-59.7-50176.500000111.6T323 H324 F329 L330 I331 L366 L367T323-A327 WeakPolarHBondContact O-CB 3.47Å; T323-A327 PolarHBondContact O-N 3.04Å; H324-A327 CarbonylContact O-C 3.18Å; H324-A327 WeakPolarHBondContact O-CB 3.41Å; H324-A327 PolarHBondContact O-N 2.98Å; H324-A327 VanDerWaalsContact O-N 3.16Å; A327-F329 VanDerWaalsContact C-N 3.33Å; A327-F329 PolarHBondContact O-N 3.27Å; A327-L330 PolarHBondContact O-N 3.27Å; A327-I331 WeakPolarHBondContact O-CB 3.11Å; A327-I331 WeakPolarHBondContact O-CG1 3.49Å; A327-I331 PolarHBondContact O-N 3.47Å; A327-L366 HydrophobicContact CB-CB 3.83Å; A327-L366 HydrophobicContact CB-CD1 4.39Å; A327-L367 HydrophobicContact CB-CD2 4.14Å; A327-L367 HydrophobicContact CB-CG 4.31Å
328F98.3Very high96.1Very high4 Ų437.3 Ų37.32%0.01819%0.191CC..Hα-helixtrans-60.8-41179.8-59.3-27.6000112.4F261 H324 F325 I331 F332 L367 L421 L424 V425F261-F328 HydrophobicContact CD1-CE1 4.32Å; F261-F328 HydrophobicContact CE1-CD1 4.45Å; F261-F328 HydrophobicContact CE1-CE1 4.4Å; H324-F328 HydrophobicContact CB-CD2 4.43Å; H324-F328 HydrophobicContact CB-CE2 3.78Å; H324-F328 HydrophobicContact CB-CZ 3.87Å; H324-F328 WeakPolarHBondContact O-CD2 3.45Å; H324-F328 WeakPolarHBondContact O-CG 3.42Å; H324-F328 PolarHBondContact O-N 3.42Å; F325-F328 HydrophobicContact CD1-CD2 4.13Å; F325-F328 HydrophobicContact CD1-CE2 4.36Å; F325-F328 PolarHBondContact O-N 3.15Å; F328-I331 PolarHBondContact O-N 3.32Å; F328-F332 WeakPolarHBondContact O-CB 3.39Å; F328-F332 PolarHBondContact O-N 3.44Å; F328-L367 HydrophobicContact CD1-CD2 4.11Å; F328-L367 HydrophobicContact CE1-CD2 3.56Å; F328-L421 HydrophobicContact CB-CD2 4.02Å; F328-L421 HydrophobicContact CD1-CD2 3.87Å; F328-L421 HydrophobicContact CG-CD2 4.17Å; F328-L424 HydrophobicContact CD1-CD1 4.4Å; F328-L424 HydrophobicContact CD2-CB 4.22Å; F328-L424 HydrophobicContact CE1-CB 4.34Å; F328-L424 HydrophobicContact CE1-CD1 3.86Å; F328-L424 HydrophobicContact CE2-CB 3.69Å; F328-L424 HydrophobicContact CZ-CB 3.77Å; F328-L424 HydrophobicContact CZ-CD1 4.02Å; F328-L424 HydrophobicContact CZ-CG 4.33Å; F328-V425 HydrophobicContact CB-CG2 4.35Å; F328-V425 HydrophobicContact CD2-CG2 3.85Å
329F97.6Very high96.1Very high127 Ų12733.4 Ų33.456%0.55717%0.171SC*.Hα-helixtrans-65.5-45176.2-178.6-108.6000112F325 V326 A327 I331 F332 L333F325-F329 VanDerWaalsContact O-CB 3.31Å; F325-F329 WeakPolarHBondContact O-CB 3.42Å; F325-F329 PolarHBondContact O-N 2.74Å; V326-F329 PolarHBondContact O-N 3.39Å; A327-F329 VanDerWaalsContact C-N 3.33Å; A327-F329 PolarHBondContact O-N 3.27Å; F329-I331 VanDerWaalsContact C-N 3.34Å; F329-I331 PolarHBondContact O-N 3.34Å; F329-F332 WeakPolarHBondContact O-CB 3.32Å; F329-F332 PolarHBondContact O-N 3.34Å; F329-L333 HydrophobicContact CD1-CD1 4.05Å; F329-L333 HydrophobicContact CE1-CD1 3.49Å; F329-L333 VanDerWaalsContact CE1-CD1 3.49Å; F329-L333 HydrophobicContact CE1-CG 4.28Å; F329-L333 HydrophobicContact CE2-CD1 4.46Å; F329-L333 HydrophobicContact CE2-CG 4.47Å; F329-L333 HydrophobicContact CZ-CD1 3.72Å; F329-L333 HydrophobicContact CZ-CD2 4.38Å; F329-L333 HydrophobicContact CZ-CG 4.19Å; F329-L333 WeakPolarHBondContact O-CG 3.46Å; F329-L333 PolarHBondContact O-N 3.41Å
330L97.5Very high96Very high49 Ų4930 Ų3026%0.25715%0.152SC..Hα-helixtrans-64.5-38.7176.6-70.6175.7000112V326 A327 L333 N334 V359 C363 L366V326-L330 HydrophobicContact CG1-CD1 3.87Å; V326-L330 HydrophobicContact CG1-CG 4.35Å; V326-L330 WeakPolarHBondContact O-CB 3.32Å; V326-L330 VanDerWaalsContact O-CG 3.26Å; V326-L330 WeakPolarHBondContact O-CG 3.37Å; V326-L330 PolarHBondContact O-N 2.8Å; A327-L330 PolarHBondContact O-N 3.27Å; L330-L333 PolarHBondContact O-N 3.35Å; L330-N334 WeakPolarHBondContact O-CB 3.4Å; L330-N334 PolarHBondContact O-N 3.39Å; L330-V359 HydrophobicContact CB-CG1 4.21Å; L330-C363 WeakPolarHBondContact CB-SG 3.34Å; L330-L366 HydrophobicContact CD1-CD1 4.42Å
331I97.6Very high95.9Very high0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-63.1-45.9174.2-67.6167.5000110.3F261 Y266 A327 F328 F329 L333 N334 I335 C363 L367 L417 L421F261-I331 HydrophobicContact CE1-CD1 3.81Å; F261-I331 HydrophobicContact CZ-CD1 4.21Å; F261-I331 HydrophobicContact CZ-CG2 4.41Å; Y266-I331 HydrophobicContact CD2-CD1 3.86Å; Y266-I331 HydrophobicContact CD2-CG1 4.28Å; Y266-I331 HydrophobicContact CD2-CG2 4.25Å; Y266-I331 HydrophobicContact CE2-CB 4.4Å; Y266-I331 HydrophobicContact CE2-CD1 3.59Å; Y266-I331 HydrophobicContact CE2-CG1 3.57Å; Y266-I331 HydrophobicContact CE2-CG2 3.94Å; Y266-I331 HydrophobicContact CG-CD1 4.48Å; A327-I331 WeakPolarHBondContact O-CB 3.11Å; A327-I331 WeakPolarHBondContact O-CG1 3.49Å; A327-I331 PolarHBondContact O-N 3.47Å; F328-I331 PolarHBondContact O-N 3.32Å; F329-I331 VanDerWaalsContact C-N 3.34Å; F329-I331 PolarHBondContact O-N 3.34Å; I331-L333 PolarHBondContact O-N 3Å; I331-N334 PolarHBondContact O-N 3.07Å; I331-I335 HydrophobicContact CG2-CB 4.25Å; I331-I335 HydrophobicContact CG2-CG1 4.08Å; I331-I335 WeakPolarHBondContact O-CB 3.31Å; I331-I335 PolarHBondContact O-N 2.99Å; I331-C363 HydrophobicContact CD1-CB 4.02Å; I331-C363 HydrophobicContact CG1-CB 3.66Å; I331-L367 HydrophobicContact CD1-CD1 4.04Å; I331-L367 HydrophobicContact CD1-CD2 4.5Å; I331-L367 HydrophobicContact CD1-CG 4.5Å; I331-L417 HydrophobicContact CG2-CD1 4.42Å; I331-L417 HydrophobicContact CG2-CD2 4.1Å; I331-L421 HydrophobicContact CB-CD1 4.45Å; I331-L421 HydrophobicContact CG2-CD1 4.06Å; I331-L421 HydrophobicContact CG2-CD2 4.31Å
332F96.3Very high95.5Very high77 Ų7732.3 Ų32.334%0.33817%0.165SC..Hα-helixtrans-57.2-38.5176.6177.3-102.2000112.1F328 F329 F352 H418 L421F328-F332 WeakPolarHBondContact O-CB 3.39Å; F328-F332 PolarHBondContact O-N 3.44Å; F329-F332 WeakPolarHBondContact O-CB 3.32Å; F329-F332 PolarHBondContact O-N 3.34Å; F332-F352 HydrophobicContact CD1-CD2 4.16Å; F332-F352 HydrophobicContact CD1-CE2 4.04Å; F332-F352 HydrophobicContact CD2-CE2 4.41Å; F332-F352 AromaticContact CE1-CD2 3.8Å; F332-F352 HydrophobicContact CE1-CD2 3.8Å; F332-F352 AromaticContact CE1-CE2 3.35Å; F332-F352 HydrophobicContact CE1-CE2 3.35Å; F332-F352 AromaticContact CE1-CZ 3.85Å; F332-F352 HydrophobicContact CE1-CZ 3.85Å; F332-F352 AromaticContact CE2-CE2 3.79Å; F332-F352 HydrophobicContact CE2-CE2 3.79Å; F332-F352 HydrophobicContact CE2-CZ 4.39Å; F332-F352 HydrophobicContact CZ-CD2 4.12Å; F332-F352 AromaticContact CZ-CE2 3.21Å; F332-F352 HydrophobicContact CZ-CE2 3.21Å; F332-F352 AromaticContact CZ-CZ 3.56Å; F332-F352 HydrophobicContact CZ-CZ 3.56Å; F332-F352 WeakPolarHBondContact O-CD2 3.38Å; F332-H418 HydrophobicContact CD2-CB 4.08Å; F332-H418 HydrophobicContact CE2-CB 3.82Å; F332-L421 HydrophobicContact CB-CD1 3.82Å; F332-L421 HydrophobicContact CD2-CD1 4.45Å
333L95.9Very high94.9Very high38 Ų3832.4 Ų32.420%0.19917%0.172CC..Hα-helixtrans-73.5-39.2176.6-67.6179.8000113F329 L330 I331 A351 F352 I353F329-L333 HydrophobicContact CD1-CD1 4.05Å; F329-L333 HydrophobicContact CE1-CD1 3.49Å; F329-L333 VanDerWaalsContact CE1-CD1 3.49Å; F329-L333 HydrophobicContact CE1-CG 4.28Å; F329-L333 HydrophobicContact CE2-CD1 4.46Å; F329-L333 HydrophobicContact CE2-CG 4.47Å; F329-L333 HydrophobicContact CZ-CD1 3.72Å; F329-L333 HydrophobicContact CZ-CD2 4.38Å; F329-L333 HydrophobicContact CZ-CG 4.19Å; F329-L333 WeakPolarHBondContact O-CG 3.46Å; F329-L333 PolarHBondContact O-N 3.41Å; L330-L333 PolarHBondContact O-N 3.35Å; I331-L333 PolarHBondContact O-N 3Å; L333-A351 WeakPolarHBondContact O-CB 3.29Å; L333-F352 HydrophobicContact CD2-CB 3.83Å; L333-F352 HydrophobicContact CD2-CG 4.32Å; L333-F352 PolarHBondContact O-N 2.81Å; L333-F352 VanDerWaalsContact O-N 3.1Å; L333-I353 HydrophobicContact CB-CD1 4.37Å; L333-I353 HydrophobicContact CB-CG1 4.19Å; L333-I353 HydrophobicContact CB-CG2 4.43Å; L333-I353 VanDerWaalsContact O-CG1 3.29Å; L333-I353 WeakPolarHBondContact O-CG1 3.08Å; L333-I353 PolarHBondContact O-N 3Å
334N95.8Very high94.1Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-96-23.9-164.3-168.163.4000115.1L330 I331 I353 S356 V359 A360L330-N334 WeakPolarHBondContact O-CB 3.4Å; L330-N334 PolarHBondContact O-N 3.39Å; I331-N334 PolarHBondContact O-N 3.07Å; N334-I353 HydrophobicContact CB-CD1 4.32Å; N334-I353 HydrophobicContact CB-CG1 4.47Å; N334-S356 PolarHBondContact ND2-O 3.31Å; N334-S356 PolarHBondContact OD1-N 3.26Å; N334-S356 PolarHBondContact OD1-O 3.46Å; N334-V359 HydrophobicContact CB-CB 4.46Å; N334-V359 HydrophobicContact CB-CG1 3.85Å; N334-A360 PolarHBondContact ND2-N 2.9Å
335I95.8Very high93.2Very high3 Ų337.7 Ų37.72%0.01521%0.212CC..SBendtrans-114.9139.2-173-57.3-62.7000110.5Y266 C269 M273 F276 I331 A339 L417Y266-I335 HydrophobicContact CE2-CG1 4.3Å; C269-I335 HydrophobicContact CB-CG2 3.81Å; M273-I335 HydrophobicContact CG-CD1 4.12Å; M273-I335 HydrophobicContact CG-CG2 4.46Å; M273-I335 HydrophobicContact SD-CG2 4.09Å; F276-I335 HydrophobicContact CE2-CD1 3.87Å; F276-I335 HydrophobicContact CZ-CD1 3.65Å; I331-I335 HydrophobicContact CG2-CB 4.25Å; I331-I335 HydrophobicContact CG2-CG1 4.08Å; I331-I335 WeakPolarHBondContact O-CB 3.31Å; I331-I335 PolarHBondContact O-N 2.99Å; I335-A339 HydrophobicContact CG2-CB 3.86Å; I335-L417 HydrophobicContact CB-CD2 3.77Å; I335-L417 HydrophobicContact CG2-CD2 3.45Å; I335-L417 VanDerWaalsContact CG2-CD2 3.45Å
336A94.6Very high92.6Very high0 Ų035.6 Ų35.60%021%0.207CC..  trans-62.4143.6179.700000112.3M273 D338 A339 T347 L349 L417M273-A336 HydrophobicContact CE-CB 4.14Å; M273-A336 HydrophobicContact SD-CB 3.59Å; M273-A336 VanDerWaalsContact SD-CB 3.59Å; M273-A336 PolarHBondContact SD-N 3.24Å; M273-A336 VanDerWaalsContact SD-N 3.39Å; A336-D338 VanDerWaalsContact C-N 3.26Å; A336-D338 PolarHBondContact O-N 3.5Å; A336-A339 HydrophobicContact CB-CB 4.42Å; A336-A339 VanDerWaalsContact O-CB 3.3Å; A336-A339 WeakPolarHBondContact O-CB 3.41Å; A336-A339 PolarHBondContact O-N 2.89Å; A336-T347 HydrophobicContact CB-CG2 3.68Å; A336-L349 HydrophobicContact CB-CB 4.32Å; A336-L349 VanDerWaalsContact CB-O 3.22Å; A336-L349 WeakPolarHBondContact CB-O 3.1Å; A336-L417 WeakPolarHBondContact O-CD2 3.4Å
337S93.8Very high92.2Very high42 Ų4232.6 Ų32.629%0.29419%0.189SC..THydrogen-bonded Turntrans-65.4-27.2-173.955.90000114.4L416 L417S337-L416 WeakPolarHBondContact O-CB 3.44Å; S337-L417 WeakPolarHBondContact O-CB 3.41Å; S337-L417 PolarHBondContact O-N 3.48Å
338D93.8Very high91.6Very high39 Ų3938.4 Ų38.421%0.20922%0.22CC..THydrogen-bonded Turntrans-95.8-3.3-178.267.1-30.1000113.4A336 P340 L341 A342 T347 L416A336-D338 VanDerWaalsContact C-N 3.26Å; A336-D338 PolarHBondContact O-N 3.5Å; D338-P340 VanDerWaalsContact C-N 3.34Å; D338-P340 VanDerWaalsContact O-N 3.15Å; D338-L341 CarbonylContact O-C 3.48Å; D338-L341 WeakPolarHBondContact O-CA 3.34Å; D338-L341 PolarHBondContact O-N 3.47Å; D338-A342 PolarHBondContact O-N 3.48Å; D338-T347 WeakPolarHBondContact OD1-CB 3.32Å; D338-T347 PolarHBondContact OD1-OG1 3.28Å; D338-T347 PolarHBondContact OD2-OG1 3.39Å; D338-L416 HydrophobicContact CB-CD2 4.05Å
339A92.6Very high91.2Very high0 Ų042.1 Ų42.10%024%0.24CC..THydrogen-bonded Turntrans-49.3-40-178.100000115.3C269 A272 M273 I335 A336 L341 A342 T347C269-A339 HydrophobicContact CB-CB 3.88Å; A272-A339 HydrophobicContact CB-CB 4.32Å; A272-A339 WeakPolarHBondContact CB-O 3.42Å; M273-A339 HydrophobicContact SD-CB 4.36Å; I335-A339 HydrophobicContact CG2-CB 3.86Å; A336-A339 HydrophobicContact CB-CB 4.42Å; A336-A339 VanDerWaalsContact O-CB 3.3Å; A336-A339 WeakPolarHBondContact O-CB 3.41Å; A336-A339 PolarHBondContact O-N 2.89Å; A339-L341 PolarHBondContact O-N 3.02Å; A339-A342 WeakPolarHBondContact O-CB 3.5Å; A339-A342 PolarHBondContact O-N 2.87Å; A339-T347 HydrophobicContact CB-CG2 4.14Å
340P91.1Very high90.5Very high0 Ų041.8 Ų41.80%024%0.24CC..THydrogen-bonded Turntrans-62.1-32175.8-1725.6000113.5K37 V265 C269 D338 L417K37-P340 PolarHBondContact NZ-O 3Å; V265-P340 HydrophobicContact CG1-CB 4.18Å; V265-P340 HydrophobicContact CG1-CG 4.28Å; C269-P340 VanDerWaalsContact SG-CG 3.52Å; D338-P340 VanDerWaalsContact C-N 3.34Å; D338-P340 VanDerWaalsContact O-N 3.15Å; P340-L417 HydrophobicContact CG-CB 3.76Å; P340-L417 HydrophobicContact CG-CD1 4.2Å
341L91.1Very high89.9Confident61 Ų6140.3 Ų40.332%0.31924%0.235SC..THydrogen-bonded Turntrans-102.8-4.3-174.7-58.1-176.9000112.8K37 D338 A339 S412 N413 L416K37-L341 VanDerWaalsContact NZ-C 3.25Å; K37-L341 PolarHBondContact NZ-O 2.91Å; D338-L341 CarbonylContact O-C 3.48Å; D338-L341 WeakPolarHBondContact O-CA 3.34Å; D338-L341 PolarHBondContact O-N 3.47Å; A339-L341 PolarHBondContact O-N 3.02Å; L341-S412 WeakPolarHBondContact CD2-O 3.44Å; L341-N413 VanDerWaalsContact CD2-O 3.27Å; L341-N413 WeakPolarHBondContact CD2-O 3.41Å; L341-L416 HydrophobicContact CD1-CD2 4.08Å
342A88.6Confident89.5Confident4 Ų447.3 Ų47.33%0.03327%0.265CS..  trans-53.2143.2-177.800000112.4K37 A272 D338 A339 T347K37-A342 VanDerWaalsContact CD-O 3.29Å; K37-A342 WeakPolarHBondContact CD-O 3.48Å; K37-A342 WeakPolarHBondContact CE-O 3.48Å; K37-A342 PolarHBondContact NZ-O 3.2Å; A272-A342 HydrophobicContact CB-CB 3.79Å; D338-A342 PolarHBondContact O-N 3.48Å; A339-A342 WeakPolarHBondContact O-CB 3.5Å; A339-A342 PolarHBondContact O-N 2.87Å; A342-T347 HydrophobicContact CB-CG2 4.37Å
343P84.6Confident89.3Confident93 Ų9347 Ų4760%0.60427%0.267SS*.  trans-70.2179.3175.132-36000111.5G345 G346P343-G345 PolarHBondContact O-N 3.09Å; P343-G345 VanDerWaalsContact O-N 3.15Å; P343-G346 PolarHBondContact O-N 2.97Å
344E80.1Confident88.9Confident66 Ų6651.4 Ų51.431%0.30830%0.295SS..THydrogen-bonded Turntrans-51.6-38.6178.7-179.1-178172.900113.4G346E344-G346 PolarHBondContact O-N 3.46Å; E344-G346 VanDerWaalsContact O-N 3.12Å
345G77.3Confident88.7Confident60 Ų6052.3 Ų52.362%0.61930%0.301SS*.THydrogen-bonded Turntrans-66.4-717900000114.5T274 P343T274-G345 VanDerWaalsContact CG2-O 3.28Å; T274-G345 WeakPolarHBondContact CG2-O 3.42Å; P343-G345 PolarHBondContact O-N 3.09Å; P343-G345 VanDerWaalsContact O-N 3.15Å
346G86.5Confident88.7Confident16 Ų1654.2 Ų54.217%0.16532%0.315CS..  trans80.7-164.9-175.200000112.8A272 P343 E344A272-G346 CarbonylContact O-C 3.12Å; A272-G346 WeakPolarHBondContact O-CA 3.29Å; P343-G346 PolarHBondContact O-N 2.97Å; E344-G346 PolarHBondContact O-N 3.46Å; E344-G346 VanDerWaalsContact O-N 3.12Å
347T89.8Confident88.7Confident6 Ų656.7 Ų56.74%0.03733%0.329CS..BIsolated β-bridgetrans-122133.3175.5178.20000111A272 M273 T274 A336 D338 A339 A342 L349A272-T347 PolarHBondContact O-N 3.4Å; M273-T347 HydrophobicContact SD-CG2 4.13Å; T274-T347 PolarHBondContact N-O 2.6Å; T274-T347 PolarHBondContact OG1-O 3.38Å; A336-T347 HydrophobicContact CB-CG2 3.68Å; D338-T347 WeakPolarHBondContact OD1-CB 3.32Å; D338-T347 PolarHBondContact OD1-OG1 3.28Å; D338-T347 PolarHBondContact OD2-OG1 3.39Å; A339-T347 HydrophobicContact CB-CG2 4.14Å; A342-T347 HydrophobicContact CB-CG2 4.37Å; T347-L349 VanDerWaalsContact OG1-CB 3.23Å; T347-L349 WeakPolarHBondContact OG1-CB 3.38Å; T347-L349 PolarHBondContact OG1-N 3.44Å; T347-L349 VanDerWaalsContact OG1-N 3.09Å
348D85.6Confident88.7Confident121 Ų12157.6 Ų57.665%0.64734%0.34SS*.  trans-93.5-0.1171.3-66.2-44.8000112.4T274 E350T274-D348 WeakPolarHBondContact CB-OD1 3.27Å; T274-D348 PolarHBondContact OG1-OD1 3.18Å; D348-E350 PolarHBondContact O-N 3.48Å
349L89Confident88.9Confident83 Ų8357.3 Ų57.344%0.43534%0.339SS..  trans-67.8129.5-177.9-150.6151.5000109A336 T347A336-L349 HydrophobicContact CB-CB 4.32Å; A336-L349 VanDerWaalsContact CB-O 3.22Å; A336-L349 WeakPolarHBondContact CB-O 3.1Å; T347-L349 VanDerWaalsContact OG1-CB 3.23Å; T347-L349 WeakPolarHBondContact OG1-CB 3.38Å; T347-L349 PolarHBondContact OG1-N 3.44Å; T347-L349 VanDerWaalsContact OG1-N 3.09Å
350E83Confident89Confident120 Ų12057.3 Ų57.356%0.56134%0.339SS*.  trans-81.6139.4179.3-72.3-174.4176.700111.2R275 D348R275-E350 IonicContact CZ-OE1 2.71Å; R275-E350 IonicContact NE-OE1 3.17Å; R275-E350 IonicContact NH2-OE1 3.09Å; R275-E350 PolarHBondContact NH2-OE1 3.05Å; D348-E350 PolarHBondContact O-N 3.48Å
351A85.8Confident89.3Confident18 Ų1858.4 Ų58.415%0.14935%0.345CS..  trans-75.3-173.7167.600000110.2L333 I353L333-A351 WeakPolarHBondContact O-CB 3.29Å; A351-I353 VanDerWaalsContact C-N 3.3Å; A351-I353 PolarHBondContact O-N 3.25Å
352F89.1Confident89.6Confident147 Ų14760 Ų6065%0.64535%0.352SS*.SBendtrans-70.2-27.9-179.5-66.8-86.3000113.3F332 L333F332-F352 HydrophobicContact CD1-CD2 4.16Å; F332-F352 HydrophobicContact CD1-CE2 4.04Å; F332-F352 HydrophobicContact CD2-CE2 4.41Å; F332-F352 AromaticContact CE1-CD2 3.8Å; F332-F352 HydrophobicContact CE1-CD2 3.8Å; F332-F352 AromaticContact CE1-CE2 3.35Å; F332-F352 HydrophobicContact CE1-CE2 3.35Å; F332-F352 AromaticContact CE1-CZ 3.85Å; F332-F352 HydrophobicContact CE1-CZ 3.85Å; F332-F352 AromaticContact CE2-CE2 3.79Å; F332-F352 HydrophobicContact CE2-CE2 3.79Å; F332-F352 HydrophobicContact CE2-CZ 4.39Å; F332-F352 HydrophobicContact CZ-CD2 4.12Å; F332-F352 AromaticContact CZ-CE2 3.21Å; F332-F352 HydrophobicContact CZ-CE2 3.21Å; F332-F352 AromaticContact CZ-CZ 3.56Å; F332-F352 HydrophobicContact CZ-CZ 3.56Å; F332-F352 WeakPolarHBondContact O-CD2 3.38Å; L333-F352 HydrophobicContact CD2-CB 3.83Å; L333-F352 HydrophobicContact CD2-CG 4.32Å; L333-F352 PolarHBondContact O-N 2.81Å; L333-F352 VanDerWaalsContact O-N 3.1Å
353I91.4Very high90.1Very high71 Ų7159.8 Ų59.836%0.36435%0.351SS..SBendtrans-116.6162.5171.865.8167.3000110.3L333 N334 A351 P355L333-I353 HydrophobicContact CB-CD1 4.37Å; L333-I353 HydrophobicContact CB-CG1 4.19Å; L333-I353 HydrophobicContact CB-CG2 4.43Å; L333-I353 VanDerWaalsContact O-CG1 3.29Å; L333-I353 WeakPolarHBondContact O-CG1 3.08Å; L333-I353 PolarHBondContact O-N 3Å; N334-I353 HydrophobicContact CB-CD1 4.32Å; N334-I353 HydrophobicContact CB-CG1 4.47Å; A351-I353 VanDerWaalsContact C-N 3.3Å; A351-I353 PolarHBondContact O-N 3.25Å; I353-P355 VanDerWaalsContact O-CD 3.23Å; I353-P355 WeakPolarHBondContact O-CD 3.26Å; I353-P355 VanDerWaalsContact O-N 3.13Å
354T88.8Confident90.7Very high129 Ų12955.3 Ų55.379%0.79132%0.322SS*.  trans-57.2118.1170.2-49.70000109.2S356T354-S356 PolarHBondContact O-N 3.11Å
355P91.6Very high91.5Very high19 Ų1955.1 Ų55.112%0.12332%0.32CS..  trans-57125.3-175.5-28.236.5000111.8M273 R275 F276 I353M273-P355 HydrophobicContact CE-CB 3.71Å; M273-P355 HydrophobicContact CE-CG 3.54Å; R275-P355 HydrophobicContact CB-CB 4.29Å; R275-P355 HydrophobicContact CB-CG 4.17Å; R275-P355 HydrophobicContact CG-CG 4.46Å; F276-P355 HydrophobicContact CD1-CB 4.13Å; F276-P355 HydrophobicContact CE1-CB 3.54Å; F276-P355 HydrophobicContact CZ-CB 4.34Å; I353-P355 VanDerWaalsContact O-CD 3.23Å; I353-P355 WeakPolarHBondContact O-CD 3.26Å; I353-P355 VanDerWaalsContact O-N 3.13Å
356S93.9Very high92.5Very high44 Ų4453.8 Ų53.831%0.30830%0.299SS..  trans-117.6125.8179.5175.60000110.9N334 T354 A358 V359 A360N334-S356 PolarHBondContact ND2-O 3.31Å; N334-S356 PolarHBondContact OD1-N 3.26Å; N334-S356 PolarHBondContact OD1-O 3.46Å; T354-S356 PolarHBondContact O-N 3.11Å; S356-A358 VanDerWaalsContact C-N 3.27Å; S356-A358 PolarHBondContact O-N 3.1Å; S356-A358 PolarHBondContact OG-N 3Å; S356-V359 PolarHBondContact O-N 3.15Å; S356-A360 PolarHBondContact O-N 3.34Å; S356-A360 VanDerWaalsContact O-N 3.12Å
357V94.6Very high93Very high51 Ų5153 Ų5331%0.30929%0.291SS..Hα-helixtrans-60.5-39.3174.6176.30000110.8F276 L283 V359 A360 M361F276-V357 HydrophobicContact CB-CG2 4.09Å; F276-V357 HydrophobicContact CD1-CG2 3.7Å; F276-V357 HydrophobicContact CE1-CG2 4.24Å; F276-V357 HydrophobicContact CG-CG2 3.87Å; L283-V357 HydrophobicContact CD1-CB 4.37Å; L283-V357 HydrophobicContact CD1-CG1 3.78Å; L283-V357 HydrophobicContact CD1-CG2 3.7Å; L283-V357 HydrophobicContact CD2-CG1 3.78Å; L283-V357 HydrophobicContact CG-CG1 4.43Å; V357-V359 PolarHBondContact O-N 3.4Å; V357-A360 WeakPolarHBondContact O-CB 3.28Å; V357-A360 PolarHBondContact O-N 2.89Å; V357-A360 VanDerWaalsContact O-N 3.17Å; V357-M361 HydrophobicContact CG1-CE 4.26Å; V357-M361 HydrophobicContact CG1-CG 4.3Å; V357-M361 WeakPolarHBondContact O-CG 3.27Å; V357-M361 PolarHBondContact O-N 3.45Å
358A95.4Very high93.2Very high62 Ų6252.7 Ų52.751%0.51229%0.289SS..Hα-helixtrans-61.8-43.2179.600000111.9S356 A360 M361 I362S356-A358 VanDerWaalsContact C-N 3.27Å; S356-A358 PolarHBondContact O-N 3.1Å; S356-A358 PolarHBondContact OG-N 3Å; A358-A360 VanDerWaalsContact C-N 3.32Å; A358-A360 PolarHBondContact O-N 2.82Å; A358-M361 PolarHBondContact O-N 3.28Å; A358-I362 VanDerWaalsContact O-CG1 3.3Å; A358-I362 WeakPolarHBondContact O-CG1 3.4Å; A358-I362 PolarHBondContact O-N 2.9Å
359V96.3Very high93.6Very high32 Ų3248.3 Ų48.319%0.19427%0.265CS..Hα-helixtrans-63.6-41.4176177.30000110.4L330 N334 S356 V357 M361 I362 C363L330-V359 HydrophobicContact CB-CG1 4.21Å; N334-V359 HydrophobicContact CB-CB 4.46Å; N334-V359 HydrophobicContact CB-CG1 3.85Å; S356-V359 PolarHBondContact O-N 3.15Å; V357-V359 PolarHBondContact O-N 3.4Å; V359-M361 PolarHBondContact O-N 2.87Å; V359-I362 PolarHBondContact O-N 2.77Å; V359-C363 PolarHBondContact O-N 2.99Å; V359-C363 PolarHBondContact O-SG 3.17Å
360A96.4Very high93.9Very high0 Ų044.3 Ų44.30%024%0.244CC..Hα-helixtrans-60.9-44.6177.500000112.3Y266 I270 F276 N334 S356 V357 A358 C363 S364Y266-A360 WeakPolarHBondContact OH-CA 3.49Å; Y266-A360 PolarHBondContact OH-O 2.87Å; I270-A360 HydrophobicContact CD1-CB 4.33Å; I270-A360 HydrophobicContact CG1-CB 4.39Å; F276-A360 HydrophobicContact CE2-CB 4.2Å; F276-A360 HydrophobicContact CZ-CB 4Å; N334-A360 PolarHBondContact ND2-N 2.9Å; S356-A360 PolarHBondContact O-N 3.34Å; S356-A360 VanDerWaalsContact O-N 3.12Å; V357-A360 WeakPolarHBondContact O-CB 3.28Å; V357-A360 PolarHBondContact O-N 2.89Å; V357-A360 VanDerWaalsContact O-N 3.17Å; A358-A360 VanDerWaalsContact C-N 3.32Å; A358-A360 PolarHBondContact O-N 2.82Å; A360-C363 WeakPolarHBondContact O-CB 3.46Å; A360-C363 PolarHBondContact O-N 2.89Å; A360-S364 PolarHBondContact O-N 3.32Å; A360-S364 PolarHBondContact O-OG 2.88Å; A360-S364 VanDerWaalsContact O-OG 3.05Å
361M97.3Very high94.4Very high23 Ų2338.8 Ų38.811%0.11322%0.219CC..Hα-helixtrans-69-35.9178.6-61.8-52.9124.300112.9I270 L283 I286 V357 A358 V359 C363 S364 F365I270-M361 HydrophobicContact CD1-CE 4.12Å; I270-M361 HydrophobicContact CG2-CE 4.27Å; L283-M361 HydrophobicContact CB-CE 3.98Å; L283-M361 HydrophobicContact CD2-CE 4.43Å; I286-M361 HydrophobicContact CB-SD 3.83Å; I286-M361 HydrophobicContact CG2-CG 4.09Å; I286-M361 HydrophobicContact CG2-SD 3.44Å; I286-M361 WeakPolarHBondContact CG2-SD 3.21Å; V357-M361 HydrophobicContact CG1-CE 4.26Å; V357-M361 HydrophobicContact CG1-CG 4.3Å; V357-M361 WeakPolarHBondContact O-CG 3.27Å; V357-M361 PolarHBondContact O-N 3.45Å; A358-M361 PolarHBondContact O-N 3.28Å; V359-M361 PolarHBondContact O-N 2.87Å; M361-C363 VanDerWaalsContact C-N 3.31Å; M361-S364 WeakPolarHBondContact O-CB 3.45Å; M361-S364 PolarHBondContact O-N 3.28Å; M361-F365 PolarHBondContact O-N 3.37Å
362I97.6Very high94.6Very high94 Ų9438.3 Ų38.348%0.48221%0.214SC..Hα-helixtrans-60.8-44.8171.4-70.9166.3000109.7A358 V359 S364 F365 L366A358-I362 VanDerWaalsContact O-CG1 3.3Å; A358-I362 WeakPolarHBondContact O-CG1 3.4Å; A358-I362 PolarHBondContact O-N 2.9Å; V359-I362 PolarHBondContact O-N 2.77Å; I362-S364 VanDerWaalsContact C-N 3.35Å; I362-S364 PolarHBondContact O-N 3.12Å; I362-F365 WeakPolarHBondContact O-CB 3.42Å; I362-F365 PolarHBondContact O-N 3.22Å; I362-L366 HydrophobicContact CG2-CD1 3.88Å; I362-L366 HydrophobicContact CG2-CG 4.21Å; I362-L366 VanDerWaalsContact O-CG 3.29Å; I362-L366 WeakPolarHBondContact O-CG 3.4Å; I362-L366 PolarHBondContact O-N 2.91Å
363C97.9Very high94.6Very high0 Ų031.3 Ų31.30%018%0.183CC..Hα-helixtrans-62.1-41.6176.9-63.80000111.9Y266 L330 I331 V359 A360 M361 F365 L366 L367Y266-C363 HydrophobicContact CE1-CB 4.38Å; Y266-C363 WeakPolarHBondContact OH-CB 3.31Å; L330-C363 WeakPolarHBondContact CB-SG 3.34Å; I331-C363 HydrophobicContact CD1-CB 4.02Å; I331-C363 HydrophobicContact CG1-CB 3.66Å; V359-C363 PolarHBondContact O-N 2.99Å; V359-C363 PolarHBondContact O-SG 3.17Å; A360-C363 WeakPolarHBondContact O-CB 3.46Å; A360-C363 PolarHBondContact O-N 2.89Å; M361-C363 VanDerWaalsContact C-N 3.31Å; C363-F365 VanDerWaalsContact C-N 3.3Å; C363-F365 PolarHBondContact O-N 2.65Å; C363-L366 PolarHBondContact O-N 2.98Å; C363-L367 VanDerWaalsContact O-CG 3.29Å; C363-L367 WeakPolarHBondContact O-CG 3.5Å; C363-L367 PolarHBondContact O-N 3.38Å
364S97.4Very high94.6Very high0 Ų027.9 Ų27.90%017%0.166CC..Hα-helixtrans-53.8-47.6173.4-53.90000111.6Y266 S287 I291 A360 M361 I362 L367 G368Y266-S364 VanDerWaalsContact CE1-OG 3.31Å; Y266-S364 WeakPolarHBondContact CE1-OG 3.38Å; S287-S364 WeakPolarHBondContact CB-OG 3.28Å; S287-S364 WeakPolarHBondContact O-CB 3.28Å; S287-S364 WeakPolarHBondContact OG-CB 3.46Å; S287-S364 PolarHBondContact OG-OG 2.91Å; I291-S364 WeakPolarHBondContact CA-O 3.28Å; I291-S364 WeakPolarHBondContact CG1-O 3.43Å; A360-S364 PolarHBondContact O-N 3.32Å; A360-S364 PolarHBondContact O-OG 2.88Å; A360-S364 VanDerWaalsContact O-OG 3.05Å; M361-S364 WeakPolarHBondContact O-CB 3.45Å; M361-S364 PolarHBondContact O-N 3.28Å; I362-S364 VanDerWaalsContact C-N 3.35Å; I362-S364 PolarHBondContact O-N 3.12Å; S364-L367 PolarHBondContact O-N 3.26Å; S364-G368 PolarHBondContact O-N 2.95Å
365F97.3Very high94.6Very high62 Ų6223 Ų2327%0.27214%0.135SC..Hα-helixtrans-63.4-44.6177.1176.2-96.7000112.8C290 L293 I297 M361 I362 C363 L367 G368 L369C290-F365 HydrophobicContact CB-CB 4.32Å; C290-F365 WeakPolarHBondContact O-CA 3.38Å; L293-F365 HydrophobicContact CB-CD2 4.28Å; L293-F365 HydrophobicContact CB-CE2 4.36Å; I297-F365 HydrophobicContact CD1-CE2 4.01Å; I297-F365 HydrophobicContact CD1-CZ 4.24Å; M361-F365 PolarHBondContact O-N 3.37Å; I362-F365 WeakPolarHBondContact O-CB 3.42Å; I362-F365 PolarHBondContact O-N 3.22Å; C363-F365 VanDerWaalsContact C-N 3.3Å; C363-F365 PolarHBondContact O-N 2.65Å; F365-L367 VanDerWaalsContact C-N 3.34Å; F365-L367 PolarHBondContact O-N 3.44Å; F365-G368 PolarHBondContact O-N 3.03Å; F365-L369 HydrophobicContact CE1-CD2 4.08Å; F365-L369 WeakPolarHBondContact O-CB 3.43Å; F365-L369 PolarHBondContact O-N 3.32Å
366L97.6Very high94.3Very high31 Ų3123.7 Ų23.716%0.16214%0.139CC..Hα-helixtrans-65-36.6179.5-66.4175.3000112.2T323 V326 A327 L330 I362 C363 L369 G370T323-L366 HydrophobicContact CG2-CB 3.88Å; T323-L366 HydrophobicContact CG2-CD2 3.8Å; T323-L366 HydrophobicContact CG2-CG 4.4Å; T323-L366 VanDerWaalsContact CG2-O 3.23Å; T323-L366 WeakPolarHBondContact CG2-O 3.44Å; V326-L366 HydrophobicContact CG1-CD1 4.15Å; A327-L366 HydrophobicContact CB-CB 3.83Å; A327-L366 HydrophobicContact CB-CD1 4.39Å; L330-L366 HydrophobicContact CD1-CD1 4.42Å; I362-L366 HydrophobicContact CG2-CD1 3.88Å; I362-L366 HydrophobicContact CG2-CG 4.21Å; I362-L366 VanDerWaalsContact O-CG 3.29Å; I362-L366 WeakPolarHBondContact O-CG 3.4Å; I362-L366 PolarHBondContact O-N 2.91Å; C363-L366 PolarHBondContact O-N 2.98Å; L366-L369 PolarHBondContact O-N 3.25Å; L366-G370 PolarHBondContact O-N 2.9Å
367L97.4Very high94Very high0 Ų021.7 Ų21.70%013%0.125CC..Hα-helixtrans-59.2-53.7174.5-70.9171.2000110.8F261 Y266 H324 A327 F328 I331 C363 S364 F365 L369 G370 D371F261-L367 HydrophobicContact CD1-CD1 4.27Å; F261-L367 HydrophobicContact CD1-CD2 4.21Å; F261-L367 HydrophobicContact CE1-CD1 4.13Å; F261-L367 HydrophobicContact CE1-CD2 4.3Å; Y266-L367 HydrophobicContact CD1-CD1 3.51Å; Y266-L367 HydrophobicContact CE1-CD1 3.91Å; Y266-L367 HydrophobicContact CG-CD1 3.94Å; H324-L367 PolarHBondContact NE2-O 3.43Å; A327-L367 HydrophobicContact CB-CD2 4.14Å; A327-L367 HydrophobicContact CB-CG 4.31Å; F328-L367 HydrophobicContact CD1-CD2 4.11Å; F328-L367 HydrophobicContact CE1-CD2 3.56Å; I331-L367 HydrophobicContact CD1-CD1 4.04Å; I331-L367 HydrophobicContact CD1-CD2 4.5Å; I331-L367 HydrophobicContact CD1-CG 4.5Å; C363-L367 VanDerWaalsContact O-CG 3.29Å; C363-L367 WeakPolarHBondContact O-CG 3.5Å; C363-L367 PolarHBondContact O-N 3.38Å; S364-L367 PolarHBondContact O-N 3.26Å; F365-L367 VanDerWaalsContact C-N 3.34Å; F365-L367 PolarHBondContact O-N 3.44Å; L367-L369 VanDerWaalsContact C-N 3.33Å; L367-L369 PolarHBondContact O-N 3.31Å; L367-G370 PolarHBondContact O-N 3.13Å; L367-D371 PolarHBondContact O-N 2.71Å
368G94.3Very high93.8Very high0 Ų019.3 Ų19.30%011%0.11CC..Hα-helixtrans-63.4-36.217800000113.7S364 F365 S372S364-G368 PolarHBondContact O-N 2.95Å; F365-G368 PolarHBondContact O-N 3.03Å; G368-S372 PolarHBondContact O-N 3.03Å; G368-S372 VanDerWaalsContact O-N 3.14Å; G368-S372 PolarHBondContact O-OG 2.86Å; G368-S372 VanDerWaalsContact O-OG 3.06Å
369L94.2Very high93.3Very high28 Ų2819.8 Ų19.815%0.14710%0.104CC..Hα-helixtrans-65.2-42.7174.7-176.866.2000111.7F302 T323 F365 L366 L367 S372 C373F302-L369 HydrophobicContact CE2-CD1 4.29Å; T323-L369 HydrophobicContact CG2-CB 4.33Å; T323-L369 HydrophobicContact CG2-CD2 4.18Å; T323-L369 HydrophobicContact CG2-CG 4.4Å; F365-L369 HydrophobicContact CE1-CD2 4.08Å; F365-L369 WeakPolarHBondContact O-CB 3.43Å; F365-L369 PolarHBondContact O-N 3.32Å; L366-L369 PolarHBondContact O-N 3.25Å; L367-L369 VanDerWaalsContact C-N 3.33Å; L367-L369 PolarHBondContact O-N 3.31Å; L369-S372 PolarHBondContact O-OG 3.47Å; L369-C373 PolarHBondContact O-N 3.45Å; L369-C373 PolarHBondContact O-SG 3.44Å
370G94.5Very high92.7Very high0 Ų019.6 Ų19.60%010%0.104CC..Hα-helixtrans-65.5-45.8177.100000112.3L366 L367 S372 C373 F374L366-G370 PolarHBondContact O-N 2.9Å; L367-G370 PolarHBondContact O-N 3.13Å; G370-S372 PolarHBondContact O-N 3.37Å; G370-C373 VanDerWaalsContact O-CB 3.32Å; G370-C373 WeakPolarHBondContact O-CB 3.28Å; G370-C373 PolarHBondContact O-N 2.86Å; G370-C373 VanDerWaalsContact O-N 3.16Å; G370-F374 PolarHBondContact O-N 3.23Å; G370-F374 VanDerWaalsContact O-N 3.17Å
371D93.3Very high92.1Very high4 Ų419.6 Ų19.62%0.02110%0.104CC..Hα-helixtrans-58.2-49.7179178.568.4000111.3E258 Y262 H324 L367 C373 F374 N375E258-D371 WeakPolarHBondContact OE2-CB 3.37Å; E258-D371 VanDerWaalsContact OE2-OD1 3.1Å; Y262-D371 HydrophobicContact CE1-CB 4.17Å; H324-D371 PolarHBondContact CE1-N 2.85Å; H324-D371 VanDerWaalsContact CE1-N 3.34Å; H324-D371 PolarHBondContact NE2-N 3.34Å; L367-D371 PolarHBondContact O-N 2.71Å; D371-C373 PolarHBondContact O-N 2.98Å; D371-F374 PolarHBondContact O-N 3.01Å; D371-N375 PolarHBondContact O-N 3.09Å; D371-N375 PolarHBondContact OD1-ND2 3.23Å; D371-N375 PolarHBondContact OD2-ND2 3.24Å
372S90Very high91.5Very high7 Ų718.5 Ų18.55%0.04910%0.098CC..Hα-helixtrans-61.4-31.2179.260.10000113.1G298 G368 L369 G370 T376G298-S372 WeakPolarHBondContact CA-OG 3.34Å; G368-S372 PolarHBondContact O-N 3.03Å; G368-S372 VanDerWaalsContact O-N 3.14Å; G368-S372 PolarHBondContact O-OG 2.86Å; G368-S372 VanDerWaalsContact O-OG 3.06Å; L369-S372 PolarHBondContact O-OG 3.47Å; G370-S372 PolarHBondContact O-N 3.37Å; S372-T376 WeakPolarHBondContact O-CB 3.08Å; S372-T376 PolarHBondContact O-N 3.44Å; S372-T376 VanDerWaalsContact O-N 3.14Å; S372-T376 PolarHBondContact O-OG1 3.47Å
373C90.5Very high90.7Very high0 Ų015.4 Ų15.40%09%0.089CC..Hα-helixtrans-62.4-52171.2-66.90000111.1F302 V316 L369 G370 D371 Q377F302-C373 WeakPolarHBondContact CD2-SG 3.12Å; F302-C373 WeakPolarHBondContact CE2-SG 3.48Å; V316-C373 HydrophobicContact CG1-CB 4.07Å; L369-C373 PolarHBondContact O-N 3.45Å; L369-C373 PolarHBondContact O-SG 3.44Å; G370-C373 VanDerWaalsContact O-CB 3.32Å; G370-C373 WeakPolarHBondContact O-CB 3.28Å; G370-C373 PolarHBondContact O-N 2.86Å; G370-C373 VanDerWaalsContact O-N 3.16Å; D371-C373 PolarHBondContact O-N 2.98Å; C373-Q377 VanDerWaalsContact O-CG 3.28Å; C373-Q377 WeakPolarHBondContact O-CG 3.29Å; C373-Q377 PolarHBondContact O-N 3.14Å
374F91.4Very high90Very high0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-65.4-51.9-178.7-86.9-91000112.3Y254 T255 V317 L321 H324 G370 D371 T376 Q377 L378 S432Y254-F374 HydrophobicContact CD1-CD1 4.1Å; Y254-F374 AromaticContact CD1-CE1 3.94Å; Y254-F374 HydrophobicContact CD1-CE1 3.94Å; Y254-F374 HydrophobicContact CD1-CG 4.45Å; Y254-F374 HydrophobicContact CD1-CZ 4.15Å; Y254-F374 HydrophobicContact CE1-CD1 4.21Å; Y254-F374 AromaticContact CE1-CD2 4Å; Y254-F374 HydrophobicContact CE1-CD2 4Å; Y254-F374 AromaticContact CE1-CE1 3.97Å; Y254-F374 HydrophobicContact CE1-CE1 3.97Å; Y254-F374 AromaticContact CE1-CE2 3.74Å; Y254-F374 HydrophobicContact CE1-CE2 3.74Å; Y254-F374 HydrophobicContact CE1-CG 4.22Å; Y254-F374 AromaticContact CE1-CZ 3.72Å; Y254-F374 HydrophobicContact CE1-CZ 3.72Å; T255-F374 HydrophobicContact CG2-CB 3.79Å; T255-F374 HydrophobicContact CG2-CG 4.5Å; V317-F374 HydrophobicContact CG1-CD1 4.21Å; V317-F374 HydrophobicContact CG1-CE1 3.77Å; V317-F374 HydrophobicContact CG1-CZ 4.13Å; L321-F374 HydrophobicContact CB-CE2 4.33Å; L321-F374 HydrophobicContact CB-CZ 4.1Å; L321-F374 HydrophobicContact CD1-CZ 4.3Å; H324-F374 AromaticContact ND1-CD2 3.83Å; H324-F374 AromaticContact ND1-CE2 3.69Å; G370-F374 PolarHBondContact O-N 3.23Å; G370-F374 VanDerWaalsContact O-N 3.17Å; D371-F374 PolarHBondContact O-N 3.01Å; F374-T376 PolarHBondContact O-N 3.26Å; F374-Q377 PolarHBondContact O-N 3.05Å; F374-L378 WeakPolarHBondContact O-CB 3.36Å; F374-L378 WeakPolarHBondContact O-CG 3.49Å; F374-L378 PolarHBondContact O-N 2.92Å; F374-S432 VanDerWaalsContact CZ-OG 3.32Å; F374-S432 WeakPolarHBondContact CZ-OG 3.34Å
375N88.5Confident89.3Confident27 Ų2721.2 Ų21.214%0.14412%0.117CC..Hα-helixtrans-61-43.3-176.9-84.7-48000111.7D371 Q377 L378 L379 Q401D371-N375 PolarHBondContact O-N 3.09Å; D371-N375 PolarHBondContact OD1-ND2 3.23Å; D371-N375 PolarHBondContact OD2-ND2 3.24Å; N375-Q377 VanDerWaalsContact C-N 3.35Å; N375-Q377 PolarHBondContact O-N 3.38Å; N375-L378 PolarHBondContact O-N 2.98Å; N375-L379 WeakPolarHBondContact O-CB 3.16Å; N375-L379 WeakPolarHBondContact O-CG 3.49Å; N375-L379 PolarHBondContact O-N 2.81Å; N375-Q401 PolarHBondContact OD1-NE2 3.08Å
376T85.4Confident88.7Confident33 Ų3319.2 Ų19.220%0.20211%0.108CC..Hα-helixtrans-62-42.1179.1-57.80000112S372 F374 S380S372-T376 WeakPolarHBondContact O-CB 3.08Å; S372-T376 PolarHBondContact O-N 3.44Å; S372-T376 VanDerWaalsContact O-N 3.14Å; S372-T376 PolarHBondContact O-OG1 3.47Å; F374-T376 PolarHBondContact O-N 3.26Å; T376-S380 WeakPolarHBondContact O-CB 3.45Å; T376-S380 PolarHBondContact O-N 3.48Å; T376-S380 VanDerWaalsContact O-N 3.12Å
377Q87.3Confident87.7Confident2 Ų227.1 Ų27.11%0.00914%0.136CC..Hα-helixtrans-75.7-36.4-178.9-60.9-49.6-45.500112.6V316 V317 C373 F374 N375 S380 I381 F435V316-Q377 HydrophobicContact CB-CG 3.83Å; V316-Q377 HydrophobicContact CG1-CG 3.73Å; V317-Q377 HydrophobicContact CG2-CB 3.57Å; V317-Q377 HydrophobicContact CG2-CG 3.78Å; C373-Q377 VanDerWaalsContact O-CG 3.28Å; C373-Q377 WeakPolarHBondContact O-CG 3.29Å; C373-Q377 PolarHBondContact O-N 3.14Å; F374-Q377 PolarHBondContact O-N 3.05Å; N375-Q377 VanDerWaalsContact C-N 3.35Å; N375-Q377 PolarHBondContact O-N 3.38Å; Q377-S380 WeakPolarHBondContact O-CB 3.28Å; Q377-S380 PolarHBondContact O-N 3.13Å; Q377-I381 PolarHBondContact O-N 2.88Å; Q377-F435 HydrophobicContact CB-CE2 4.31Å; Q377-F435 HydrophobicContact CB-CZ 3.95Å
378L89.1Confident86.5Confident0 Ų032.3 Ų32.30%016%0.164CC..Hα-helixtrans-62.8-46.7174.4-79.4167.8000112L248 I252 T255 F374 N375 S380 I381 I382 F397 F435L248-L378 HydrophobicContact CD2-CD2 4.02Å; I252-L378 HydrophobicContact CG1-CD1 4.47Å; I252-L378 HydrophobicContact CG1-CD2 4.14Å; T255-L378 HydrophobicContact CG2-CD1 3.56Å; F374-L378 WeakPolarHBondContact O-CB 3.36Å; F374-L378 WeakPolarHBondContact O-CG 3.49Å; F374-L378 PolarHBondContact O-N 2.92Å; N375-L378 PolarHBondContact O-N 2.98Å; L378-S380 PolarHBondContact O-N 3.41Å; L378-I381 WeakPolarHBondContact O-CG2 3.49Å; L378-I381 PolarHBondContact O-N 3.2Å; L378-I382 WeakPolarHBondContact O-CB 3.41Å; L378-I382 WeakPolarHBondContact O-CD1 3.33Å; L378-I382 VanDerWaalsContact O-CG1 3.24Å; L378-I382 WeakPolarHBondContact O-CG1 3.29Å; L378-I382 PolarHBondContact O-N 2.97Å; L378-F397 HydrophobicContact CB-CE2 4.03Å; L378-F397 HydrophobicContact CD1-CE2 4.39Å; L378-F435 HydrophobicContact CD2-CD2 3.71Å; L378-F435 HydrophobicContact CD2-CE2 3.95Å; L378-F435 HydrophobicContact CG-CD2 4.31Å; L378-F435 HydrophobicContact CG-CE2 4.28Å
379L85.1Confident85.5Confident72 Ų7235.6 Ų35.638%0.37718%0.181SC..Hα-helixtrans-62-36175-64.6170.4000111N375 G383 F394 F397N375-L379 WeakPolarHBondContact O-CB 3.16Å; N375-L379 WeakPolarHBondContact O-CG 3.49Å; N375-L379 PolarHBondContact O-N 2.81Å; L379-G383 PolarHBondContact O-N 3.49Å; L379-F394 HydrophobicContact CB-CE1 4.43Å; L379-F394 HydrophobicContact CD2-CD1 3.92Å; L379-F394 HydrophobicContact CD2-CE1 3.48Å; L379-F394 VanDerWaalsContact CD2-CE1 3.48Å; L379-F397 HydrophobicContact CD2-CD1 4.3Å; L379-F397 HydrophobicContact CD2-CE1 3.97Å; L379-F397 HydrophobicContact CD2-CZ 4.11Å
380S83.7Confident84.3Confident28 Ų2835.9 Ų35.920%0.19619%0.186CC..Hα-helixtrans-67.2-45.3177.6-177.60000113.7N306 R313 T376 Q377 L378 F384N306-S380 WeakPolarHBondContact ND2-CB 3.37Å; N306-S380 PolarHBondContact ND2-OG 2.88Å; R313-S380 PolarHBondContact NE-OG 2.98Å; R313-S380 VanDerWaalsContact NE-OG 3.12Å; R313-S380 PolarHBondContact NH2-O 3.14Å; T376-S380 WeakPolarHBondContact O-CB 3.45Å; T376-S380 PolarHBondContact O-N 3.48Å; T376-S380 VanDerWaalsContact O-N 3.12Å; Q377-S380 WeakPolarHBondContact O-CB 3.28Å; Q377-S380 PolarHBondContact O-N 3.13Å; L378-S380 PolarHBondContact O-N 3.41Å; S380-F384 WeakPolarHBondContact O-CB 3.42Å; S380-F384 PolarHBondContact O-N 3.39Å; S380-F384 VanDerWaalsContact O-N 3.15Å
381I84.9Confident83.3Confident0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-70.8-38179.5-168.6173.8000111.4L248 Q377 L378 F384 L385 F435 A438 E439L248-I381 HydrophobicContact CD1-CG2 4.09Å; L248-I381 HydrophobicContact CD2-CD1 4.22Å; L248-I381 HydrophobicContact CD2-CG2 3.78Å; Q377-I381 PolarHBondContact O-N 2.88Å; L378-I381 WeakPolarHBondContact O-CG2 3.49Å; L378-I381 PolarHBondContact O-N 3.2Å; I381-F384 PolarHBondContact O-N 3.14Å; I381-F384 VanDerWaalsContact O-N 3.14Å; I381-L385 HydrophobicContact CD1-CD1 4.1Å; I381-L385 HydrophobicContact CG1-CD1 3.76Å; I381-L385 HydrophobicContact CG1-CG 4.15Å; I381-L385 WeakPolarHBondContact O-CB 3.24Å; I381-L385 PolarHBondContact O-N 3.47Å; I381-F435 HydrophobicContact CB-CE2 4.41Å; I381-F435 HydrophobicContact CB-CZ 4.49Å; I381-F435 HydrophobicContact CG2-CE2 3.71Å; I381-F435 HydrophobicContact CG2-CZ 4.27Å; I381-A438 HydrophobicContact CD1-CB 4.23Å; I381-E439 HydrophobicContact CD1-CB 4.13Å; I381-E439 WeakPolarHBondContact CD1-OE2 3.39Å
382I85.2Confident82.5Confident0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-63.1-46.6175.8-69.5169.7000110.5L248 I252 L378 F384 L385 F386 A393 F394 F397L248-I382 HydrophobicContact CD1-CG1 3.98Å; I252-I382 HydrophobicContact CD1-CD1 4.03Å; L378-I382 WeakPolarHBondContact O-CB 3.41Å; L378-I382 WeakPolarHBondContact O-CD1 3.33Å; L378-I382 VanDerWaalsContact O-CG1 3.24Å; L378-I382 WeakPolarHBondContact O-CG1 3.29Å; L378-I382 PolarHBondContact O-N 2.97Å; I382-F384 PolarHBondContact O-N 3.28Å; I382-L385 PolarHBondContact O-N 2.59Å; I382-F386 HydrophobicContact CG2-CD2 4.33Å; I382-F386 PolarHBondContact O-N 3.36Å; I382-A393 HydrophobicContact CG2-CB 3.93Å; I382-F394 HydrophobicContact CG2-CD1 4.44Å; I382-F394 HydrophobicContact CG2-CE1 4.3Å; I382-F397 HydrophobicContact CD1-CB 3.98Å; I382-F397 HydrophobicContact CD1-CD2 3.42Å; I382-F397 VanDerWaalsContact CD1-CD2 3.42Å; I382-F397 HydrophobicContact CD1-CE2 4.26Å; I382-F397 HydrophobicContact CD1-CG 4.01Å
383G80Confident82.2Confident29 Ų2938.5 Ų38.530%0.29921%0.207SC..Hα-helixtrans-64.2-20.1176.100000114L379L379-G383 PolarHBondContact O-N 3.49Å
384F82.1Confident81.7Confident82 Ų8242.1 Ų42.136%0.3622%0.223SC..Hα-helixtrans-86.3-49.3174175.5-99.3000112.6S380 I381 I382 A442 R446S380-F384 WeakPolarHBondContact O-CB 3.42Å; S380-F384 PolarHBondContact O-N 3.39Å; S380-F384 VanDerWaalsContact O-N 3.15Å; I381-F384 PolarHBondContact O-N 3.14Å; I381-F384 VanDerWaalsContact O-N 3.14Å; I382-F384 PolarHBondContact O-N 3.28Å; F384-A442 HydrophobicContact CD1-CB 4.45Å; F384-A442 HydrophobicContact CE1-CB 4.22Å; F384-R446 HydrophobicContact CZ-CG 4.49Å
385L83.6Confident81.2Confident41 Ų4144.5 Ų44.522%0.21524%0.243CC..Hα-helixtrans-71.6-33.9-176.4-78174.8000113.4E244 L248 I381 I382 A442E244-L385 HydrophobicContact CB-CD1 4.18Å; E244-L385 HydrophobicContact CG-CD1 4.41Å; E244-L385 HydrophobicContact CG-CD2 4.47Å; L248-L385 HydrophobicContact CD1-CD1 4.06Å; I381-L385 HydrophobicContact CD1-CD1 4.1Å; I381-L385 HydrophobicContact CG1-CD1 3.76Å; I381-L385 HydrophobicContact CG1-CG 4.15Å; I381-L385 WeakPolarHBondContact O-CB 3.24Å; I381-L385 PolarHBondContact O-N 3.47Å; I382-L385 PolarHBondContact O-N 2.59Å; L385-A442 HydrophobicContact CD1-CB 4.32Å; L385-A442 HydrophobicContact CD2-CB 3.52Å; L385-A442 HydrophobicContact CG-CB 4.09Å
386F84.2Confident81.2Confident19 Ų1943.6 Ų43.68%0.08324%0.238CC..THydrogen-bonded Turntrans-117.540.4-176.7-58.1-79000110.8I239 E244 M245 I382 D388 N389 S390 A393I239-F386 HydrophobicContact CD1-CD1 4.28Å; I239-F386 HydrophobicContact CG1-CD1 4.44Å; I239-F386 HydrophobicContact CG1-CE1 4.46Å; I239-F386 HydrophobicContact CG2-CD1 4.05Å; I239-F386 HydrophobicContact CG2-CE1 3.7Å; I239-F386 HydrophobicContact CG2-CZ 3.98Å; E244-F386 HydrophobicContact CB-CE2 4.38Å; E244-F386 HydrophobicContact CB-CZ 3.9Å; M245-F386 HydrophobicContact CB-CZ 4.08Å; M245-F386 HydrophobicContact CE-CD2 4.14Å; M245-F386 HydrophobicContact CE-CE2 3.72Å; M245-F386 HydrophobicContact CE-CZ 4.14Å; I382-F386 HydrophobicContact CG2-CD2 4.33Å; I382-F386 PolarHBondContact O-N 3.36Å; F386-D388 VanDerWaalsContact C-N 3.25Å; F386-D388 PolarHBondContact O-N 2.83Å; F386-N389 CarbonylContact O-C 3.6Å; F386-N389 PolarHBondContact O-N 2.57Å; F386-N389 VanDerWaalsContact O-N 3.11Å; F386-S390 WeakPolarHBondContact O-CA 3.39Å; F386-S390 PolarHBondContact O-N 3.42Å; F386-A393 HydrophobicContact CB-CB 3.52Å; F386-A393 HydrophobicContact CD1-CB 4.42Å; F386-A393 HydrophobicContact CD2-CB 3.95Å; F386-A393 HydrophobicContact CG-CB 3.71Å
387R76.8Confident81.4Confident197 Ų19742.1 Ų42.174%0.74323%0.229SC*.SBendtrans-53.5-44.9-177.7-172.9-178.5178.6109.30.2112N389R387-N389 VanDerWaalsContact C-N 3.34Å
388D72.8Confident81.3Confident110 Ų11046.4 Ų46.459%0.58825%0.248SC*.THydrogen-bonded Turntrans-77-23.7-176.7-47.2-44.2000112.1F386F386-D388 VanDerWaalsContact C-N 3.25Å; F386-D388 PolarHBondContact O-N 2.83Å
389N73.6Confident81.3Confident68 Ų6850.7 Ų50.736%0.36427%0.266SS..THydrogen-bonded Turntrans-124.744.7-178-61-40.3000111.9Q235 I239 F386 R387 P392 A393Q235-N389 PolarHBondContact NE2-OD1 3.18Å; I239-N389 HydrophobicContact CD1-CB 3.77Å; F386-N389 CarbonylContact O-C 3.6Å; F386-N389 PolarHBondContact O-N 2.57Å; F386-N389 VanDerWaalsContact O-N 3.11Å; R387-N389 VanDerWaalsContact C-N 3.34Å; N389-P392 WeakPolarHBondContact O-CD 3.27Å; N389-A393 WeakPolarHBondContact O-CB 3.16Å; N389-A393 PolarHBondContact O-N 3Å
390S68.3Low81.7Confident35 Ų3548.8 Ų48.825%0.24526%0.256CS..Hα-helixtrans-67.8-42.5-167.860.50000113F386 A393 F394F386-S390 WeakPolarHBondContact O-CA 3.39Å; F386-S390 PolarHBondContact O-N 3.42Å; S390-A393 PolarHBondContact O-N 2.88Å; S390-F394 WeakPolarHBondContact O-CD2 3.34Å; S390-F394 PolarHBondContact O-N 2.97Å
391A73.3Confident82.1Confident58 Ų5848 Ų4848%0.47925%0.25SC..Hα-helixtrans-62.4-50.5-178.700000113A393 F394 A395A391-A393 VanDerWaalsContact C-N 3.31Å; A391-A393 PolarHBondContact O-N 3.22Å; A391-F394 PolarHBondContact O-N 3.23Å; A391-A395 PolarHBondContact O-N 3.28Å
392P77.6Confident82.5Confident8 Ų848.2 Ų48.25%0.05225%0.251CS..Hα-helixtrans-61-36173.1-23.733.2000113.3Q235 A236 I239 N389 A395 V396Q235-P392 HydrophobicContact CB-CB 4.3Å; Q235-P392 HydrophobicContact CB-CG 4.24Å; Q235-P392 HydrophobicContact CG-CB 4.17Å; Q235-P392 HydrophobicContact CG-CG 4.04Å; A236-P392 HydrophobicContact CB-CB 4.19Å; I239-P392 HydrophobicContact CD1-CB 3.9Å; N389-P392 WeakPolarHBondContact O-CD 3.27Å; P392-A395 WeakPolarHBondContact O-CB 3.31Å; P392-A395 PolarHBondContact O-N 3.46Å; P392-V396 WeakPolarHBondContact O-CG2 3.4Å; P392-V396 PolarHBondContact O-N 3.16Å
393A82.2Confident82.9Confident0 Ų051.1 Ų51.10%027%0.266CS..Hα-helixtrans-66.9-41.1176.800000112.8I239 M245 I382 F386 N389 S390 A391 A395 V396 F397I239-A393 HydrophobicContact CD1-CB 4.25Å; I239-A393 HydrophobicContact CG2-CB 4.3Å; M245-A393 HydrophobicContact CE-CB 4.01Å; I382-A393 HydrophobicContact CG2-CB 3.93Å; F386-A393 HydrophobicContact CB-CB 3.52Å; F386-A393 HydrophobicContact CD1-CB 4.42Å; F386-A393 HydrophobicContact CD2-CB 3.95Å; F386-A393 HydrophobicContact CG-CB 3.71Å; N389-A393 WeakPolarHBondContact O-CB 3.16Å; N389-A393 PolarHBondContact O-N 3Å; S390-A393 PolarHBondContact O-N 2.88Å; A391-A393 VanDerWaalsContact C-N 3.31Å; A391-A393 PolarHBondContact O-N 3.22Å; A393-A395 VanDerWaalsContact C-N 3.31Å; A393-A395 PolarHBondContact O-N 3.26Å; A393-V396 PolarHBondContact O-N 3.09Å; A393-F397 PolarHBondContact O-N 2.91Å
394F80.9Confident83.7Confident75 Ų7551.7 Ų51.733%0.32926%0.261SS..Hα-helixtrans-65.8-33.3172.9-78.7-62.2000112.4L379 I382 S390 A391 F397 K398L379-F394 HydrophobicContact CB-CE1 4.43Å; L379-F394 HydrophobicContact CD2-CD1 3.92Å; L379-F394 HydrophobicContact CD2-CE1 3.48Å; L379-F394 VanDerWaalsContact CD2-CE1 3.48Å; I382-F394 HydrophobicContact CG2-CD1 4.44Å; I382-F394 HydrophobicContact CG2-CE1 4.3Å; S390-F394 WeakPolarHBondContact O-CD2 3.34Å; S390-F394 PolarHBondContact O-N 2.97Å; A391-F394 PolarHBondContact O-N 3.23Å; F394-F397 WeakPolarHBondContact O-CB 3.5Å; F394-F397 PolarHBondContact O-N 2.99Å; F394-K398 PolarHBondContact O-N 3.03Å
395A81.5Confident84.4Confident50 Ų5047.8 Ų47.841%0.41324%0.244SC..Hα-helixtrans-62.7-45.8173.200000111.3A391 P392 A393 F397 K398 F399A391-A395 PolarHBondContact O-N 3.28Å; P392-A395 WeakPolarHBondContact O-CB 3.31Å; P392-A395 PolarHBondContact O-N 3.46Å; A393-A395 VanDerWaalsContact C-N 3.31Å; A393-A395 PolarHBondContact O-N 3.26Å; A395-F397 VanDerWaalsContact C-N 3.34Å; A395-F397 PolarHBondContact O-N 3.38Å; A395-K398 PolarHBondContact O-N 3.49Å; A395-F399 VanDerWaalsContact O-CB 3.29Å; A395-F399 WeakPolarHBondContact O-CB 3.46Å; A395-F399 PolarHBondContact O-N 3.36Å
396V87.8Confident85Confident8 Ų846.5 Ų46.55%0.04824%0.239CC..Hα-helixtrans-61.2-42.7174.4177.10000111.4A236 M245 P392 A393 K398 F399 I400A236-V396 HydrophobicContact CB-CG2 3.9Å; A236-V396 WeakPolarHBondContact O-CG2 3.47Å; M245-V396 HydrophobicContact CE-CB 4.23Å; M245-V396 HydrophobicContact CE-CG1 4.24Å; M245-V396 HydrophobicContact CG-CG1 3.75Å; M245-V396 HydrophobicContact SD-CB 4.46Å; M245-V396 HydrophobicContact SD-CG1 3.87Å; P392-V396 WeakPolarHBondContact O-CG2 3.4Å; P392-V396 PolarHBondContact O-N 3.16Å; A393-V396 PolarHBondContact O-N 3.09Å; V396-K398 PolarHBondContact O-N 3.31Å; V396-F399 PolarHBondContact O-N 3.38Å; V396-I400 HydrophobicContact CG1-CD1 3.65Å; V396-I400 HydrophobicContact CG1-CG1 4.29Å; V396-I400 WeakPolarHBondContact O-CG1 3.31Å; V396-I400 PolarHBondContact O-N 3.44Å
397F88.6Confident85.5Confident2 Ų249.1 Ų49.11%0.00926%0.257CS..Hα-helixtrans-54.9-52.6174.8171.7-90.1000111.8I252 L378 L379 I382 A393 F394 A395 F399 I400 Q401I252-F397 HydrophobicContact CB-CD2 4.28Å; I252-F397 HydrophobicContact CB-CE2 4.44Å; I252-F397 HydrophobicContact CD1-CB 4.44Å; I252-F397 HydrophobicContact CD1-CD2 3.72Å; I252-F397 HydrophobicContact CG1-CD2 3.59Å; I252-F397 HydrophobicContact CG1-CE2 3.91Å; I252-F397 HydrophobicContact CG2-CD2 3.71Å; I252-F397 HydrophobicContact CG2-CE2 3.97Å; I252-F397 HydrophobicContact CG2-CG 4.27Å; I252-F397 VanDerWaalsContact CG2-O 3.31Å; I252-F397 WeakPolarHBondContact CG2-O 3.4Å; L378-F397 HydrophobicContact CB-CE2 4.03Å; L378-F397 HydrophobicContact CD1-CE2 4.39Å; L379-F397 HydrophobicContact CD2-CD1 4.3Å; L379-F397 HydrophobicContact CD2-CE1 3.97Å; L379-F397 HydrophobicContact CD2-CZ 4.11Å; I382-F397 HydrophobicContact CD1-CB 3.98Å; I382-F397 HydrophobicContact CD1-CD2 3.42Å; I382-F397 VanDerWaalsContact CD1-CD2 3.42Å; I382-F397 HydrophobicContact CD1-CE2 4.26Å; I382-F397 HydrophobicContact CD1-CG 4.01Å; A393-F397 PolarHBondContact O-N 2.91Å; F394-F397 WeakPolarHBondContact O-CB 3.5Å; F394-F397 PolarHBondContact O-N 2.99Å; A395-F397 VanDerWaalsContact C-N 3.34Å; A395-F397 PolarHBondContact O-N 3.38Å; F397-F399 VanDerWaalsContact C-N 3.34Å; F397-F399 PolarHBondContact O-N 3.4Å; F397-I400 PolarHBondContact O-N 3.01Å; F397-Q401 VanDerWaalsContact O-CB 3.3Å; F397-Q401 WeakPolarHBondContact O-CB 3.22Å; F397-Q401 PolarHBondContact O-N 3.03Å
398K85.5Confident86.5Confident93 Ų9339.7 Ų39.740%0.40422%0.221SC..Hα-helixtrans-66.7-35.6-179.7-73.7-62.1179.7-172.60112.6F394 A395 V396 Q401 S402F394-K398 PolarHBondContact O-N 3.03Å; A395-K398 PolarHBondContact O-N 3.49Å; V396-K398 PolarHBondContact O-N 3.31Å; K398-Q401 VanDerWaalsContact NZ-OE1 3.16Å; K398-S402 VanDerWaalsContact O-CB 3.27Å; K398-S402 WeakPolarHBondContact O-CB 3.46Å; K398-S402 PolarHBondContact O-N 3.41Å; K398-S402 PolarHBondContact O-OG 2.85Å
399F89.9Confident87.6Confident89 Ų8934.7 Ų34.739%0.3919%0.194SC..Hα-helixtrans-60.9-51.6175.8178.8-97.9000111.7S60 A395 V396 F397 S402 I403S60-F399 WeakPolarHBondContact OG-CD2 3.38Å; S60-F399 WeakPolarHBondContact OG-CE2 3.39Å; S60-F399 PolarHBondContact OG-O 2.78Å; A395-F399 VanDerWaalsContact O-CB 3.29Å; A395-F399 WeakPolarHBondContact O-CB 3.46Å; A395-F399 PolarHBondContact O-N 3.36Å; V396-F399 PolarHBondContact O-N 3.38Å; F397-F399 VanDerWaalsContact C-N 3.34Å; F397-F399 PolarHBondContact O-N 3.4Å; F399-S402 PolarHBondContact O-N 3.06Å; F399-S402 PolarHBondContact O-OG 3.46Å; F399-I403 HydrophobicContact CD1-CD1 3.88Å; F399-I403 HydrophobicContact CD2-CD1 4.07Å; F399-I403 HydrophobicContact CE1-CD1 3.37Å; F399-I403 HydrophobicContact CE2-CD1 3.56Å; F399-I403 HydrophobicContact CG-CD1 4.21Å; F399-I403 HydrophobicContact CZ-CD1 3.19Å; F399-I403 WeakPolarHBondContact O-CG1 3.34Å; F399-I403 PolarHBondContact O-N 2.92Å
400I93.2Very high88.6Confident32 Ų3237.1 Ų37.116%0.16420%0.202CC..Hα-helixtrans-63.9-47.7179.1-64167000110.6I252 V396 F397 S402 I403 M404I252-I400 HydrophobicContact CB-CG2 4.11Å; I252-I400 HydrophobicContact CG2-CB 3.84Å; I252-I400 HydrophobicContact CG2-CG2 3.81Å; V396-I400 HydrophobicContact CG1-CD1 3.65Å; V396-I400 HydrophobicContact CG1-CG1 4.29Å; V396-I400 WeakPolarHBondContact O-CG1 3.31Å; V396-I400 PolarHBondContact O-N 3.44Å; F397-I400 PolarHBondContact O-N 3.01Å; I400-S402 VanDerWaalsContact C-N 3.34Å; I400-S402 PolarHBondContact O-N 3.34Å; I400-I403 PolarHBondContact O-N 3.12Å; I400-M404 WeakPolarHBondContact O-CG 3.4Å; I400-M404 PolarHBondContact O-N 3.37Å
401Q93.3Very high89.9Confident13 Ų1337 Ų376%0.06120%0.196CC..Hα-helixtrans-58.3-45.5-179.6-173.5175.845.600111.4I252 T255 G256 N375 F397 K398 A405I252-Q401 HydrophobicContact CG2-CB 4.03Å; T255-Q401 PolarHBondContact OG1-NE2 2.92Å; T255-Q401 VanDerWaalsContact OG1-NE2 3.14Å; G256-Q401 VanDerWaalsContact CA-O 3.29Å; G256-Q401 WeakPolarHBondContact CA-O 3.44Å; N375-Q401 PolarHBondContact OD1-NE2 3.08Å; F397-Q401 VanDerWaalsContact O-CB 3.3Å; F397-Q401 WeakPolarHBondContact O-CB 3.22Å; F397-Q401 PolarHBondContact O-N 3.03Å; K398-Q401 VanDerWaalsContact NZ-OE1 3.16Å; Q401-A405 WeakPolarHBondContact O-CB 3.11Å; Q401-A405 PolarHBondContact O-N 3.12Å
402S92.1Very high90.9Very high4 Ų434.2 Ų34.23%0.02817%0.173CC..Hα-helixtrans-70.9-37.8-178.853.80000113.6S60 K398 F399 I400 A405 A406S60-S402 WeakPolarHBondContact CB-OG 3.43Å; S60-S402 PolarHBondContact OG-OG 3.23Å; K398-S402 VanDerWaalsContact O-CB 3.27Å; K398-S402 WeakPolarHBondContact O-CB 3.46Å; K398-S402 PolarHBondContact O-N 3.41Å; K398-S402 PolarHBondContact O-OG 2.85Å; F399-S402 PolarHBondContact O-N 3.06Å; F399-S402 PolarHBondContact O-OG 3.46Å; I400-S402 VanDerWaalsContact C-N 3.34Å; I400-S402 PolarHBondContact O-N 3.34Å; S402-A405 PolarHBondContact O-N 2.96Å; S402-A406 WeakPolarHBondContact O-CB 3.36Å; S402-A406 PolarHBondContact O-N 3.4Å
403I94.7Very high91.6Very high61 Ų6135.3 Ų35.331%0.31318%0.179SC..Hα-helixtrans-64.8-44.2175-76.1168000110.8S60 F399 I400 A405 A406 V407S60-I403 WeakPolarHBondContact OG-CG1 3.39Å; F399-I403 HydrophobicContact CD1-CD1 3.88Å; F399-I403 HydrophobicContact CD2-CD1 4.07Å; F399-I403 HydrophobicContact CE1-CD1 3.37Å; F399-I403 HydrophobicContact CE2-CD1 3.56Å; F399-I403 HydrophobicContact CG-CD1 4.21Å; F399-I403 HydrophobicContact CZ-CD1 3.19Å; F399-I403 WeakPolarHBondContact O-CG1 3.34Å; F399-I403 PolarHBondContact O-N 2.92Å; I400-I403 PolarHBondContact O-N 3.12Å; I403-A405 VanDerWaalsContact C-N 3.31Å; I403-A405 PolarHBondContact O-N 3.29Å; I403-A406 WeakPolarHBondContact O-CB 3.4Å; I403-A406 PolarHBondContact O-N 3.15Å; I403-A406 VanDerWaalsContact O-N 3.15Å; I403-V407 HydrophobicContact CG2-CG2 4.46Å; I403-V407 WeakPolarHBondContact O-CG2 3.44Å; I403-V407 PolarHBondContact O-N 3.15Å
404M96.6Very high92.1Very high41 Ų4141.8 Ų41.820%0.20221%0.207CC..Hα-helixtrans-65.7-37.1178.8-69.7-62.1-62.100111.6G253 L257 I400 V407 A408 F427G253-M404 WeakPolarHBondContact O-CB 3.44Å; L257-M404 HydrophobicContact CD1-CE 3.9Å; L257-M404 HydrophobicContact CD2-CE 3.75Å; L257-M404 HydrophobicContact CG-CE 3.79Å; I400-M404 WeakPolarHBondContact O-CG 3.4Å; I400-M404 PolarHBondContact O-N 3.37Å; M404-V407 PolarHBondContact O-N 3.16Å; M404-A408 WeakPolarHBondContact O-CB 3.11Å; M404-A408 PolarHBondContact O-N 3.46Å; M404-F427 HydrophobicContact CE-CD1 4.44Å; M404-F427 HydrophobicContact CE-CE1 4.08Å
405A95.5Very high92.8Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-61.7-43.817000000112.2Y56 G256 L259 T260 Q401 S402 I403 V407 A408 F409Y56-A405 HydrophobicContact CD1-CB 4.1Å; Y56-A405 HydrophobicContact CE1-CB 4.47Å; Y56-A405 HydrophobicContact CG-CB 4.16Å; G256-A405 WeakPolarHBondContact O-CA 3.37Å; G256-A405 WeakPolarHBondContact O-CB 3.39Å; L259-A405 HydrophobicContact CD2-CB 4.48Å; T260-A405 VanDerWaalsContact OG1-CA 3.26Å; T260-A405 WeakPolarHBondContact OG1-CA 3.3Å; T260-A405 WeakPolarHBondContact OG1-CB 3.5Å; T260-A405 PolarHBondContact OG1-O 3.35Å; Q401-A405 WeakPolarHBondContact O-CB 3.11Å; Q401-A405 PolarHBondContact O-N 3.12Å; S402-A405 PolarHBondContact O-N 2.96Å; I403-A405 VanDerWaalsContact C-N 3.31Å; I403-A405 PolarHBondContact O-N 3.29Å; A405-V407 PolarHBondContact O-N 3.1Å; A405-A408 PolarHBondContact O-N 2.76Å; A405-F409 VanDerWaalsContact O-CD2 3.23Å; A405-F409 WeakPolarHBondContact O-CD2 3.24Å; A405-F409 PolarHBondContact O-N 3.39Å
406A95.9Very high93.4Very high13 Ų1341 Ų4111%0.10720%0.199CC..Hα-helixtrans-61.9-43.9177.700000112.3A53 S402 I403 A408 F409 F410A53-A406 WeakPolarHBondContact CB-O 3.34Å; A53-A406 WeakPolarHBondContact O-CB 3.45Å; S402-A406 WeakPolarHBondContact O-CB 3.36Å; S402-A406 PolarHBondContact O-N 3.4Å; I403-A406 WeakPolarHBondContact O-CB 3.4Å; I403-A406 PolarHBondContact O-N 3.15Å; I403-A406 VanDerWaalsContact O-N 3.15Å; A406-A408 VanDerWaalsContact C-N 3.32Å; A406-A408 PolarHBondContact O-N 3.13Å; A406-F409 PolarHBondContact O-N 3.37Å; A406-F410 WeakPolarHBondContact O-CB 3.18Å; A406-F410 PolarHBondContact O-N 3.09Å
407V96.7Very high93.8Very high74 Ų7440.8 Ų40.845%0.44820%0.197SC..Hα-helixtrans-61.6-42.1174.4171.30000110.7I403 M404 A405 F410 Y411I403-V407 HydrophobicContact CG2-CG2 4.46Å; I403-V407 WeakPolarHBondContact O-CG2 3.44Å; I403-V407 PolarHBondContact O-N 3.15Å; M404-V407 PolarHBondContact O-N 3.16Å; A405-V407 PolarHBondContact O-N 3.1Å; V407-F410 PolarHBondContact O-N 3.27Å; V407-Y411 HydrophobicContact CG1-CD1 4.28Å; V407-Y411 VanDerWaalsContact O-CD1 3.26Å; V407-Y411 WeakPolarHBondContact O-CD1 3.45Å; V407-Y411 PolarHBondContact O-N 2.81Å
408A96.6Very high94.1Very high0 Ų043.3 Ų43.30%021%0.209CC..Hα-helixtrans-62.3-46.2177.100000113.2L257 T260 M404 A405 A406 F410 Y411 S412L257-A408 HydrophobicContact CD2-CB 3.77Å; T260-A408 HydrophobicContact CG2-CB 3.56Å; M404-A408 WeakPolarHBondContact O-CB 3.11Å; M404-A408 PolarHBondContact O-N 3.46Å; A405-A408 PolarHBondContact O-N 2.76Å; A406-A408 VanDerWaalsContact C-N 3.32Å; A406-A408 PolarHBondContact O-N 3.13Å; A408-F410 VanDerWaalsContact C-N 3.28Å; A408-F410 PolarHBondContact O-N 2.97Å; A408-Y411 HydrophobicContact CB-CE1 3.87Å; A408-Y411 HydrophobicContact CB-CE2 4.5Å; A408-Y411 WeakPolarHBondContact O-CD2 3.28Å; A408-Y411 WeakPolarHBondContact O-CE2 3.39Å; A408-Y411 PolarHBondContact O-N 3.24Å; A408-S412 WeakPolarHBondContact O-CB 3.37Å; A408-S412 PolarHBondContact O-N 2.74Å; A408-S412 PolarHBondContact O-OG 3.01Å
409F95.3Very high94.7Very high5 Ų545.1 Ų45.12%0.02221%0.213CC..Hα-helixtrans-63.3-40.8177.1-85.6-63.7000110.2Y49 M52 A53 Y56 T260 A405 A406 S412 N413Y49-F409 WeakPolarHBondContact CB-O 3.39Å; Y49-F409 HydrophobicContact CD1-CD1 4.07Å; Y49-F409 HydrophobicContact CD1-CE1 4.44Å; Y49-F409 WeakPolarHBondContact O-CB 3.17Å; M52-F409 HydrophobicContact CB-CB 4.31Å; M52-F409 HydrophobicContact CB-CD1 3.63Å; M52-F409 HydrophobicContact CB-CD2 3.77Å; M52-F409 HydrophobicContact CB-CE1 3.76Å; M52-F409 HydrophobicContact CB-CE2 3.91Å; M52-F409 HydrophobicContact CB-CG 3.64Å; M52-F409 HydrophobicContact CB-CZ 3.91Å; M52-F409 HydrophobicContact CG-CD1 4.39Å; M52-F409 HydrophobicContact CG-CE1 4.06Å; M52-F409 HydrophobicContact CG-CE2 4.48Å; M52-F409 HydrophobicContact CG-CZ 4.12Å; A53-F409 HydrophobicContact CB-CB 3.83Å; Y56-F409 AromaticContact CD2-CD2 3.92Å; Y56-F409 HydrophobicContact CD2-CD2 3.92Å; Y56-F409 AromaticContact CD2-CE2 3.74Å; Y56-F409 HydrophobicContact CD2-CE2 3.74Å; Y56-F409 HydrophobicContact CE2-CD2 4.21Å; Y56-F409 AromaticContact CE2-CE2 3.54Å; Y56-F409 HydrophobicContact CE2-CE2 3.54Å; Y56-F409 HydrophobicContact CE2-CZ 4.39Å; T260-F409 HydrophobicContact CG2-CB 4.27Å; T260-F409 HydrophobicContact CG2-CD1 3.56Å; T260-F409 HydrophobicContact CG2-CD2 3.72Å; T260-F409 HydrophobicContact CG2-CE1 3.7Å; T260-F409 HydrophobicContact CG2-CE2 3.84Å; T260-F409 HydrophobicContact CG2-CG 3.56Å; T260-F409 HydrophobicContact CG2-CZ 3.83Å; T260-F409 WeakPolarHBondContact OG1-CD2 3.39Å; T260-F409 WeakPolarHBondContact OG1-CE2 3.31Å; A405-F409 VanDerWaalsContact O-CD2 3.23Å; A405-F409 WeakPolarHBondContact O-CD2 3.24Å; A405-F409 PolarHBondContact O-N 3.39Å; A406-F409 PolarHBondContact O-N 3.37Å; F409-S412 WeakPolarHBondContact O-CB 3.25Å; F409-S412 PolarHBondContact O-N 3.37Å; F409-N413 PolarHBondContact O-ND2 2.8Å
410F95.2Very high95.1Very high118 Ų11841 Ų4152%0.51820%0.195SC..Hα-helixtrans-61.2-52.3177.8-175.8-101.7000112.5A53 A406 V407 A408 S412 N413 F414A53-F410 HydrophobicContact CB-CB 4.18Å; A406-F410 WeakPolarHBondContact O-CB 3.18Å; A406-F410 PolarHBondContact O-N 3.09Å; V407-F410 PolarHBondContact O-N 3.27Å; A408-F410 VanDerWaalsContact C-N 3.28Å; A408-F410 PolarHBondContact O-N 2.97Å; F410-S412 PolarHBondContact O-N 2.96Å; F410-N413 WeakPolarHBondContact O-CB 3.32Å; F410-N413 PolarHBondContact O-N 3.44Å; F410-N413 PolarHBondContact O-ND2 3.31Å; F410-F414 HydrophobicContact CD1-CE2 4.41Å; F410-F414 AromaticContact CE1-CE2 3.95Å; F410-F414 HydrophobicContact CE1-CE2 3.95Å; F410-F414 HydrophobicContact CE2-CE2 4.34Å; F410-F414 AromaticContact CZ-CE2 3.91Å; F410-F414 HydrophobicContact CZ-CE2 3.91Å; F410-F414 HydrophobicContact CZ-CZ 4.43Å
411Y95.6Very high95.3Very high32 Ų3239.8 Ų39.813%0.12519%0.189CC..Hα-helixtrans-66.6-23.4-179.572.4-127.5000112.9L257 V407 A408 N413 F414 L415 Q420 I423L257-Y411 HydrophobicContact CD2-CE1 4.08Å; V407-Y411 HydrophobicContact CG1-CD1 4.28Å; V407-Y411 VanDerWaalsContact O-CD1 3.26Å; V407-Y411 WeakPolarHBondContact O-CD1 3.45Å; V407-Y411 PolarHBondContact O-N 2.81Å; A408-Y411 HydrophobicContact CB-CE1 3.87Å; A408-Y411 HydrophobicContact CB-CE2 4.5Å; A408-Y411 WeakPolarHBondContact O-CD2 3.28Å; A408-Y411 WeakPolarHBondContact O-CE2 3.39Å; A408-Y411 PolarHBondContact O-N 3.24Å; Y411-N413 PolarHBondContact O-N 2.96Å; Y411-N413 VanDerWaalsContact O-N 3.12Å; Y411-F414 PolarHBondContact O-N 3.25Å; Y411-L415 HydrophobicContact CD2-CB 4.38Å; Y411-L415 HydrophobicContact CD2-CD1 3.64Å; Y411-L415 HydrophobicContact CD2-CG 4.24Å; Y411-L415 HydrophobicContact CE2-CD1 4.35Å; Y411-L415 HydrophobicContact CG-CD1 3.91Å; Y411-L415 PolarHBondContact O-N 2.92Å; Y411-Q420 HydrophobicContact CD2-CG 4.27Å; Y411-Q420 HydrophobicContact CE2-CB 4.36Å; Y411-Q420 HydrophobicContact CE2-CG 3.83Å; Y411-I423 HydrophobicContact CE1-CD1 4.26Å
412S94.8Very high95.5Very high0 Ų043.3 Ų43.30%021%0.208CC..THydrogen-bonded Turntrans-64.7-15.7-179.2-64.10000112.8Y49 V265 L341 A408 F409 F410 F414 Q420Y49-S412 WeakPolarHBondContact CE2-O 3.46Å; V265-S412 WeakPolarHBondContact CG2-OG 3.49Å; L341-S412 WeakPolarHBondContact CD2-O 3.44Å; A408-S412 WeakPolarHBondContact O-CB 3.37Å; A408-S412 PolarHBondContact O-N 2.74Å; A408-S412 PolarHBondContact O-OG 3.01Å; F409-S412 WeakPolarHBondContact O-CB 3.25Å; F409-S412 PolarHBondContact O-N 3.37Å; F410-S412 PolarHBondContact O-N 2.96Å; S412-F414 VanDerWaalsContact C-N 3.26Å; S412-F414 PolarHBondContact O-N 3.42Å; S412-Q420 PolarHBondContact OG-OE1 3.14Å
413N91.1Very high95.7Very high32 Ų3245.1 Ų45.117%0.17122%0.217CC..THydrogen-bonded Turntrans-70.1-20170-69.5-76.2000113.9S47 T50 L341 F409 F410 Y411S47-N413 WeakPolarHBondContact CB-OD1 3.37Å; S47-N413 PolarHBondContact OG-OD1 2.92Å; T50-N413 PolarHBondContact OG1-ND2 3.21Å; L341-N413 VanDerWaalsContact CD2-O 3.27Å; L341-N413 WeakPolarHBondContact CD2-O 3.41Å; F409-N413 PolarHBondContact O-ND2 2.8Å; F410-N413 WeakPolarHBondContact O-CB 3.32Å; F410-N413 PolarHBondContact O-N 3.44Å; F410-N413 PolarHBondContact O-ND2 3.31Å; Y411-N413 PolarHBondContact O-N 2.96Å; Y411-N413 VanDerWaalsContact O-N 3.12Å
414F93.4Very high95.9Very high135 Ų13542.2 Ų42.259%0.59220%0.202SC*.THydrogen-bonded Turntrans-124.1-27.8-168.6-50.6-72000113.1F410 Y411 S412F410-F414 HydrophobicContact CD1-CE2 4.41Å; F410-F414 AromaticContact CE1-CE2 3.95Å; F410-F414 HydrophobicContact CE1-CE2 3.95Å; F410-F414 HydrophobicContact CE2-CE2 4.34Å; F410-F414 AromaticContact CZ-CE2 3.91Å; F410-F414 HydrophobicContact CZ-CE2 3.91Å; F410-F414 HydrophobicContact CZ-CZ 4.43Å; Y411-F414 PolarHBondContact O-N 3.25Å; S412-F414 VanDerWaalsContact C-N 3.26Å; S412-F414 PolarHBondContact O-N 3.42Å
415L95.4Very high96Very high52 Ų5242.7 Ų42.727%0.27221%0.207SC..  trans-92.7134.8-174-64.8-173.3000113Y411 W419 Q420 I423Y411-L415 HydrophobicContact CD2-CB 4.38Å; Y411-L415 HydrophobicContact CD2-CD1 3.64Å; Y411-L415 HydrophobicContact CD2-CG 4.24Å; Y411-L415 HydrophobicContact CE2-CD1 4.35Å; Y411-L415 HydrophobicContact CG-CD1 3.91Å; Y411-L415 PolarHBondContact O-N 2.92Å; L415-W419 HydrophobicContact CB-CB 4.37Å; L415-W419 HydrophobicContact CD1-CB 4.46Å; L415-W419 HydrophobicContact CD2-CB 4.47Å; L415-Q420 HydrophobicContact CB-CG 3.84Å; L415-Q420 PolarHBondContact O-NE2 3.07Å; L415-I423 HydrophobicContact CD1-CD1 3.66Å
416L95.6Very high96.1Very high57 Ų5746 Ų4630%0.29823%0.227SC..  trans-65.5157.4167.5-63.3170.3000111.2S337 D338 L341 H418 W419 Q420S337-L416 WeakPolarHBondContact O-CB 3.44Å; D338-L416 HydrophobicContact CB-CD2 4.05Å; L341-L416 HydrophobicContact CD1-CD2 4.08Å; L416-H418 VanDerWaalsContact C-N 3.32Å; L416-H418 PolarHBondContact O-N 3.28Å; L416-W419 PolarHBondContact O-N 3.16Å; L416-W419 VanDerWaalsContact O-N 3.11Å; L416-Q420 PolarHBondContact O-N 3.27Å
417L96.1Very high96.1Very high3 Ų349.2 Ų49.22%0.01624%0.239CC..Hα-helixtrans-54.3-44.6-173.3-179.259.3000112.9F261 I331 I335 A336 S337 P340 W419 Q420 L421F261-L417 HydrophobicContact CE2-CD1 3.79Å; F261-L417 HydrophobicContact CZ-CD1 4.02Å; I331-L417 HydrophobicContact CG2-CD1 4.42Å; I331-L417 HydrophobicContact CG2-CD2 4.1Å; I335-L417 HydrophobicContact CB-CD2 3.77Å; I335-L417 HydrophobicContact CG2-CD2 3.45Å; I335-L417 VanDerWaalsContact CG2-CD2 3.45Å; A336-L417 WeakPolarHBondContact O-CD2 3.4Å; S337-L417 WeakPolarHBondContact O-CB 3.41Å; S337-L417 PolarHBondContact O-N 3.48Å; P340-L417 HydrophobicContact CG-CB 3.76Å; P340-L417 HydrophobicContact CG-CD1 4.2Å; L417-W419 VanDerWaalsContact C-N 3.31Å; L417-W419 PolarHBondContact O-N 3.47Å; L417-Q420 PolarHBondContact O-N 2.98Å; L417-Q420 VanDerWaalsContact O-N 3.15Å; L417-L421 HydrophobicContact CD1-CD1 4.3Å; L417-L421 HydrophobicContact CD1-CG 4.17Å; L417-L421 HydrophobicContact CG-CD1 3.99Å; L417-L421 HydrophobicContact CG-CG 4.3Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.46Å
418H94.5Very high96.1Very high55 Ų5545.7 Ų45.726%0.25522%0.218SC..Hα-helixtrans-64.1-34.3-177.458.9-91.6000113F332 L416 L422F332-H418 HydrophobicContact CD2-CB 4.08Å; F332-H418 HydrophobicContact CE2-CB 3.82Å; L416-H418 VanDerWaalsContact C-N 3.32Å; L416-H418 PolarHBondContact O-N 3.28Å; H418-L422 WeakPolarHBondContact O-CB 3.28Å; H418-L422 PolarHBondContact O-N 2.91Å
419W97.2Very high96.2Very high132 Ų13251.3 Ų51.350%0.524%0.242SC..Hα-helixtrans-69.6-39.1174.8-65.6120.1000111.5L415 L416 L417 L422 I423L415-W419 HydrophobicContact CB-CB 4.37Å; L415-W419 HydrophobicContact CD1-CB 4.46Å; L415-W419 HydrophobicContact CD2-CB 4.47Å; L416-W419 PolarHBondContact O-N 3.16Å; L416-W419 VanDerWaalsContact O-N 3.11Å; L417-W419 VanDerWaalsContact C-N 3.31Å; L417-W419 PolarHBondContact O-N 3.47Å; W419-L422 HydrophobicContact CE3-CD2 3.9Å; W419-L422 HydrophobicContact CZ3-CD2 3.89Å; W419-L422 PolarHBondContact O-N 2.76Å; W419-I423 VanDerWaalsContact O-CG1 3.32Å; W419-I423 WeakPolarHBondContact O-CG1 3.34Å; W419-I423 PolarHBondContact O-N 3.46Å
420Q97.8Very high96.2Very high1 Ų155.2 Ų55.21%0.00526%0.263CS..Hα-helixtrans-65.1-43.6175.7-57.1-167.733.900111.5Y411 S412 L415 L416 L417 L422 I423 L424Y411-Q420 HydrophobicContact CD2-CG 4.27Å; Y411-Q420 HydrophobicContact CE2-CB 4.36Å; Y411-Q420 HydrophobicContact CE2-CG 3.83Å; S412-Q420 PolarHBondContact OG-OE1 3.14Å; L415-Q420 HydrophobicContact CB-CG 3.84Å; L415-Q420 PolarHBondContact O-NE2 3.07Å; L416-Q420 PolarHBondContact O-N 3.27Å; L417-Q420 PolarHBondContact O-N 2.98Å; L417-Q420 VanDerWaalsContact O-N 3.15Å; Q420-L422 VanDerWaalsContact C-N 3.34Å; Q420-L422 PolarHBondContact O-N 3.27Å; Q420-I423 PolarHBondContact O-N 3.08Å; Q420-L424 WeakPolarHBondContact O-CG 3.4Å; Q420-L424 PolarHBondContact O-N 3.37Å
421L97.6Very high96.2Very high7 Ų749.6 Ų49.64%0.03724%0.238CC..Hα-helixtrans-62.3-39.9174.2-67.4175.8000112F261 F328 I331 F332 L417 L424 V425F261-L421 HydrophobicContact CE1-CD2 4.05Å; F261-L421 HydrophobicContact CE2-CD2 3.93Å; F261-L421 HydrophobicContact CZ-CD2 3.45Å; F261-L421 VanDerWaalsContact CZ-CD2 3.45Å; F261-L421 HydrophobicContact CZ-CG 4.42Å; F328-L421 HydrophobicContact CB-CD2 4.02Å; F328-L421 HydrophobicContact CD1-CD2 3.87Å; F328-L421 HydrophobicContact CG-CD2 4.17Å; I331-L421 HydrophobicContact CB-CD1 4.45Å; I331-L421 HydrophobicContact CG2-CD1 4.06Å; I331-L421 HydrophobicContact CG2-CD2 4.31Å; F332-L421 HydrophobicContact CB-CD1 3.82Å; F332-L421 HydrophobicContact CD2-CD1 4.45Å; L417-L421 HydrophobicContact CD1-CD1 4.3Å; L417-L421 HydrophobicContact CD1-CG 4.17Å; L417-L421 HydrophobicContact CG-CD1 3.99Å; L417-L421 HydrophobicContact CG-CG 4.3Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.46Å; L421-L424 HydrophobicContact CD2-CD1 4.48Å; L421-L424 PolarHBondContact O-N 3Å; L421-V425 WeakPolarHBondContact O-CG2 3.39Å; L421-V425 PolarHBondContact O-N 3.41Å
422L97.6Very high96.2Very high87 Ų8748.1 Ų48.146%0.45523%0.233SC..Hα-helixtrans-62.3-44.1175.9-179.164.4000111.6H418 W419 Q420 L424 V425 V426H418-L422 WeakPolarHBondContact O-CB 3.28Å; H418-L422 PolarHBondContact O-N 2.91Å; W419-L422 HydrophobicContact CE3-CD2 3.9Å; W419-L422 HydrophobicContact CZ3-CD2 3.89Å; W419-L422 PolarHBondContact O-N 2.76Å; Q420-L422 VanDerWaalsContact C-N 3.34Å; Q420-L422 PolarHBondContact O-N 3.27Å; L422-L424 VanDerWaalsContact C-N 3.31Å; L422-L424 PolarHBondContact O-N 2.87Å; L422-V425 PolarHBondContact O-N 3.45Å; L422-V426 HydrophobicContact CD1-CG2 4.21Å; L422-V426 HydrophobicContact CG-CG2 4.48Å; L422-V426 WeakPolarHBondContact O-CG2 3.27Å; L422-V426 PolarHBondContact O-N 3.35Å
423I97.9Very high96.2Very high42 Ų4251.5 Ų51.522%0.21525%0.253CS..Hα-helixtrans-57.1-47.6174.6-70.1165.3000109.8L257 Y411 L415 W419 Q420 V425 V426 F427L257-I423 HydrophobicContact CD1-CG2 4.07Å; Y411-I423 HydrophobicContact CE1-CD1 4.26Å; L415-I423 HydrophobicContact CD1-CD1 3.66Å; W419-I423 VanDerWaalsContact O-CG1 3.32Å; W419-I423 WeakPolarHBondContact O-CG1 3.34Å; W419-I423 PolarHBondContact O-N 3.46Å; Q420-I423 PolarHBondContact O-N 3.08Å; I423-V425 PolarHBondContact O-N 3.28Å; I423-V426 PolarHBondContact O-N 2.99Å; I423-F427 HydrophobicContact CG2-CD2 3.92Å; I423-F427 HydrophobicContact CG2-CE2 4.27Å; I423-F427 WeakPolarHBondContact O-CB 3.49Å; I423-F427 WeakPolarHBondContact O-CD2 3.28Å; I423-F427 PolarHBondContact O-N 3.1Å
424L97.8Very high96.4Very high0 Ų051.2 Ų51.20%025%0.254CS..Hα-helixtrans-62.4-41.1179.1-69.5166.8000112.7Y254 L257 E258 F261 F328 Q420 L421 L422 G428Y254-L424 HydrophobicContact CE2-CD2 4.36Å; Y254-L424 WeakPolarHBondContact CE2-O 3.3Å; L257-L424 HydrophobicContact CB-CD2 3.83Å; E258-L424 HydrophobicContact CB-CD2 4.29Å; F261-L424 HydrophobicContact CB-CD1 3.74Å; F261-L424 HydrophobicContact CB-CD2 4.48Å; F261-L424 HydrophobicContact CD1-CD1 3.83Å; F261-L424 HydrophobicContact CD2-CD1 3.63Å; F261-L424 HydrophobicContact CE1-CD1 4.36Å; F261-L424 HydrophobicContact CE2-CD1 4.19Å; F261-L424 HydrophobicContact CG-CD1 3.43Å; F261-L424 VanDerWaalsContact CG-CD1 3.43Å; F328-L424 HydrophobicContact CD1-CD1 4.4Å; F328-L424 HydrophobicContact CD2-CB 4.22Å; F328-L424 HydrophobicContact CE1-CB 4.34Å; F328-L424 HydrophobicContact CE1-CD1 3.86Å; F328-L424 HydrophobicContact CE2-CB 3.69Å; F328-L424 HydrophobicContact CZ-CB 3.77Å; F328-L424 HydrophobicContact CZ-CD1 4.02Å; F328-L424 HydrophobicContact CZ-CG 4.33Å; Q420-L424 WeakPolarHBondContact O-CG 3.4Å; Q420-L424 PolarHBondContact O-N 3.37Å; L421-L424 HydrophobicContact CD2-CD1 4.48Å; L421-L424 PolarHBondContact O-N 3Å; L422-L424 VanDerWaalsContact C-N 3.31Å; L422-L424 PolarHBondContact O-N 2.87Å; L424-G428 WeakPolarHBondContact O-CA 3.49Å; L424-G428 PolarHBondContact O-N 3.26Å
425V98Very high96.4Very high51 Ų5144.8 Ų44.831%0.30923%0.225SC..Hα-helixtrans-64.3-47.1176.8169.80000111.1F325 F328 L421 L422 I423 G428 F429F325-V425 HydrophobicContact CD1-CG2 4.42Å; F325-V425 HydrophobicContact CE1-CB 4.32Å; F325-V425 HydrophobicContact CE1-CG1 4.18Å; F325-V425 HydrophobicContact CE1-CG2 4.36Å; F325-V425 HydrophobicContact CE2-CG1 4.24Å; F325-V425 HydrophobicContact CZ-CB 4.49Å; F325-V425 HydrophobicContact CZ-CG1 3.88Å; F325-V425 WeakPolarHBondContact CZ-O 3.29Å; F328-V425 HydrophobicContact CB-CG2 4.35Å; F328-V425 HydrophobicContact CD2-CG2 3.85Å; L421-V425 WeakPolarHBondContact O-CG2 3.39Å; L421-V425 PolarHBondContact O-N 3.41Å; L422-V425 PolarHBondContact O-N 3.45Å; I423-V425 PolarHBondContact O-N 3.28Å; V425-G428 PolarHBondContact O-N 2.98Å; V425-F429 WeakPolarHBondContact O-CB 3.15Å; V425-F429 PolarHBondContact O-N 3.42Å
426V97.8Very high96.4Very high69 Ų6945.2 Ų45.242%0.41823%0.225SC..Hα-helixtrans-65.5-50-178.9172.30000110.9L422 I423 G428 F429 L430L422-V426 HydrophobicContact CD1-CG2 4.21Å; L422-V426 HydrophobicContact CG-CG2 4.48Å; L422-V426 WeakPolarHBondContact O-CG2 3.27Å; L422-V426 PolarHBondContact O-N 3.35Å; I423-V426 PolarHBondContact O-N 2.99Å; V426-G428 VanDerWaalsContact C-N 3.35Å; V426-F429 PolarHBondContact O-N 3.12Å; V426-L430 HydrophobicContact CG1-CD1 3.96Å; V426-L430 WeakPolarHBondContact O-CB 3.24Å; V426-L430 VanDerWaalsContact O-CG 3.32Å; V426-L430 WeakPolarHBondContact O-CG 3.33Å; V426-L430 PolarHBondContact O-N 3.42Å
427F97.4Very high96.2Very high82 Ų8244.3 Ų44.336%0.3623%0.226SC..Hα-helixtrans-69.5-32.2179.1-84.8-103.3000112.5Y254 L257 M404 I423 G431Y254-F427 HydrophobicContact CD2-CB 4.25Å; L257-F427 HydrophobicContact CD1-CB 3.67Å; L257-F427 HydrophobicContact CD1-CD1 3.7Å; L257-F427 HydrophobicContact CD1-CD2 4.14Å; L257-F427 HydrophobicContact CD1-CE1 4.37Å; L257-F427 HydrophobicContact CD1-CG 3.56Å; M404-F427 HydrophobicContact CE-CD1 4.44Å; M404-F427 HydrophobicContact CE-CE1 4.08Å; I423-F427 HydrophobicContact CG2-CD2 3.92Å; I423-F427 HydrophobicContact CG2-CE2 4.27Å; I423-F427 WeakPolarHBondContact O-CB 3.49Å; I423-F427 WeakPolarHBondContact O-CD2 3.28Å; I423-F427 PolarHBondContact O-N 3.1Å; F427-G431 WeakPolarHBondContact O-CA 3.36Å; F427-G431 PolarHBondContact O-N 3.28Å
428G96.5Very high96Very high0 Ų044.2 Ų44.20%023%0.226CC..Hα-helixtrans-63.7-46.1173.100000111.7Y254 L424 V425 V426 G431 S432Y254-G428 VanDerWaalsContact CD2-N 3.29Å; L424-G428 WeakPolarHBondContact O-CA 3.49Å; L424-G428 PolarHBondContact O-N 3.26Å; V425-G428 PolarHBondContact O-N 2.98Å; V426-G428 VanDerWaalsContact C-N 3.35Å; G428-G431 PolarHBondContact O-N 2.84Å; G428-S432 WeakPolarHBondContact O-CB 3.4Å; G428-S432 PolarHBondContact O-N 3.3Å; G428-S432 PolarHBondContact O-OG 2.97Å
429F97Very high95.7Very high118 Ų11842.7 Ų42.752%0.51822%0.219SC..Hα-helixtrans-61.4-51.9174.9-179.5-100.9000112F325 V425 V426 G431 S432 V433F325-F429 HydrophobicContact CZ-CB 4.16Å; V425-F429 WeakPolarHBondContact O-CB 3.15Å; V425-F429 PolarHBondContact O-N 3.42Å; V426-F429 PolarHBondContact O-N 3.12Å; F429-G431 VanDerWaalsContact C-N 3.31Å; F429-G431 PolarHBondContact O-N 3.33Å; F429-S432 PolarHBondContact O-N 3.48Å; F429-V433 HydrophobicContact CD1-CG2 4.36Å; F429-V433 HydrophobicContact CE1-CG2 3.97Å; F429-V433 HydrophobicContact CE2-CG2 4.23Å; F429-V433 HydrophobicContact CZ-CG2 3.9Å; F429-V433 WeakPolarHBondContact O-CG2 3.49Å; F429-V433 PolarHBondContact O-N 3.38Å
430L96.5Very high95.3Very high87 Ų8745.7 Ų45.746%0.45523%0.23SC..Hα-helixtrans-61.3-40.8178.8-69.2174000111.8V426 V433 S434V426-L430 HydrophobicContact CG1-CD1 3.96Å; V426-L430 WeakPolarHBondContact O-CB 3.24Å; V426-L430 VanDerWaalsContact O-CG 3.32Å; V426-L430 WeakPolarHBondContact O-CG 3.33Å; V426-L430 PolarHBondContact O-N 3.42Å; L430-V433 PolarHBondContact O-N 2.71Å; L430-S434 WeakPolarHBondContact O-CB 3.46Å; L430-S434 PolarHBondContact O-N 3.3Å; L430-S434 PolarHBondContact O-OG 3.3Å
431G95.4Very high94.8Very high0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-61.9-45.5175.500000112.1S251 F427 G428 F429 S434 F435S251-G431 WeakPolarHBondContact CB-O 3.43Å; S251-G431 PolarHBondContact OG-O 3.28Å; F427-G431 WeakPolarHBondContact O-CA 3.36Å; F427-G431 PolarHBondContact O-N 3.28Å; G428-G431 PolarHBondContact O-N 2.84Å; F429-G431 VanDerWaalsContact C-N 3.31Å; F429-G431 PolarHBondContact O-N 3.33Å; G431-S434 PolarHBondContact O-N 3.32Å; G431-F435 WeakPolarHBondContact O-CB 3.29Å; G431-F435 PolarHBondContact O-N 3.35Å
432S94.9Very high94.1Very high1 Ų148.1 Ų48.11%0.00724%0.243CC..Hα-helixtrans-67.1-41.8176.5-67.80000113.1F374 G428 F429 S434 F435 F436F374-S432 VanDerWaalsContact CZ-OG 3.32Å; F374-S432 WeakPolarHBondContact CZ-OG 3.34Å; G428-S432 WeakPolarHBondContact O-CB 3.4Å; G428-S432 PolarHBondContact O-N 3.3Å; G428-S432 PolarHBondContact O-OG 2.97Å; F429-S432 PolarHBondContact O-N 3.48Å; S432-S434 VanDerWaalsContact C-N 3.31Å; S432-S434 PolarHBondContact O-N 3.13Å; S432-F435 WeakPolarHBondContact O-CB 3.3Å; S432-F435 PolarHBondContact O-N 3.35Å; S432-F436 VanDerWaalsContact O-CD2 3.3Å; S432-F436 WeakPolarHBondContact O-CD2 3.49Å; S432-F436 VanDerWaalsContact O-CG 3.27Å; S432-F436 WeakPolarHBondContact O-CG 3.28Å; S432-F436 PolarHBondContact O-N 3.33Å
433V95.8Very high93.4Very high71 Ų7147.4 Ų47.443%0.4324%0.237SC..Hα-helixtrans-60.2-44.6175.3171.30000110.5F429 L430 F435 F436 A437F429-V433 HydrophobicContact CD1-CG2 4.36Å; F429-V433 HydrophobicContact CE1-CG2 3.97Å; F429-V433 HydrophobicContact CE2-CG2 4.23Å; F429-V433 HydrophobicContact CZ-CG2 3.9Å; F429-V433 WeakPolarHBondContact O-CG2 3.49Å; F429-V433 PolarHBondContact O-N 3.38Å; L430-V433 PolarHBondContact O-N 2.71Å; V433-F435 VanDerWaalsContact C-N 3.33Å; V433-F435 PolarHBondContact O-N 3.3Å; V433-F436 PolarHBondContact O-N 3.06Å; V433-A437 PolarHBondContact O-N 3.2Å
434S94.8Very high92.6Very high26 Ų2647.4 Ų47.418%0.18224%0.241CC..Hα-helixtrans-66.9-35.6179-50.70000112L247 L430 G431 S432 A437 A438L247-S434 WeakPolarHBondContact O-CB 3.49Å; L430-S434 WeakPolarHBondContact O-CB 3.46Å; L430-S434 PolarHBondContact O-N 3.3Å; L430-S434 PolarHBondContact O-OG 3.3Å; G431-S434 PolarHBondContact O-N 3.32Å; S432-S434 VanDerWaalsContact C-N 3.31Å; S432-S434 PolarHBondContact O-N 3.13Å; S434-A437 PolarHBondContact O-N 3.25Å; S434-A438 WeakPolarHBondContact O-CB 3.37Å; S434-A438 PolarHBondContact O-N 2.96Å
435F93.8Very high91.4Very high0 Ų054.3 Ų54.30%027%0.267CS..Hα-helixtrans-62-47.8172.6-175.6-85.6000111.6L248 S251 R313 V317 Q377 L378 I381 G431 S432 V433 A437 A438 E439L248-F435 HydrophobicContact CD2-CD2 4.1Å; S251-F435 WeakPolarHBondContact OG-CB 3.41Å; S251-F435 PolarHBondContact OG-N 3.26Å; R313-F435 HydrophobicContact CB-CE1 4.16Å; R313-F435 HydrophobicContact CB-CZ 4.1Å; V317-F435 HydrophobicContact CB-CD1 4.21Å; V317-F435 HydrophobicContact CB-CE1 4.28Å; V317-F435 HydrophobicContact CG1-CD1 4.13Å; V317-F435 HydrophobicContact CG1-CG 4.34Å; V317-F435 HydrophobicContact CG2-CD1 3.79Å; V317-F435 HydrophobicContact CG2-CD2 4.46Å; V317-F435 HydrophobicContact CG2-CE1 3.49Å; V317-F435 VanDerWaalsContact CG2-CE1 3.49Å; V317-F435 HydrophobicContact CG2-CE2 4.18Å; V317-F435 HydrophobicContact CG2-CG 4.29Å; V317-F435 HydrophobicContact CG2-CZ 3.71Å; Q377-F435 HydrophobicContact CB-CE2 4.31Å; Q377-F435 HydrophobicContact CB-CZ 3.95Å; L378-F435 HydrophobicContact CD2-CD2 3.71Å; L378-F435 HydrophobicContact CD2-CE2 3.95Å; L378-F435 HydrophobicContact CG-CD2 4.31Å; L378-F435 HydrophobicContact CG-CE2 4.28Å; I381-F435 HydrophobicContact CB-CE2 4.41Å; I381-F435 HydrophobicContact CB-CZ 4.49Å; I381-F435 HydrophobicContact CG2-CE2 3.71Å; I381-F435 HydrophobicContact CG2-CZ 4.27Å; G431-F435 WeakPolarHBondContact O-CB 3.29Å; G431-F435 PolarHBondContact O-N 3.35Å; S432-F435 WeakPolarHBondContact O-CB 3.3Å; S432-F435 PolarHBondContact O-N 3.35Å; V433-F435 VanDerWaalsContact C-N 3.33Å; V433-F435 PolarHBondContact O-N 3.3Å; F435-A437 VanDerWaalsContact C-N 3.29Å; F435-A437 PolarHBondContact O-N 2.97Å; F435-A438 PolarHBondContact O-N 3.43Å; F435-A438 VanDerWaalsContact O-N 3.17Å; F435-E439 HydrophobicContact CE1-CB 4.48Å; F435-E439 PolarHBondContact O-N 3.1Å
436F94Very high90.2Very high60 Ų6057.3 Ų57.326%0.26327%0.273SS..Hα-helixtrans-63.9-36.7179.3-61.3-30.8000112.1N314 V317 L318 S432 V433 W440N314-F436 HydrophobicContact CB-CD1 3.98Å; N314-F436 HydrophobicContact CB-CE1 3.86Å; N314-F436 WeakPolarHBondContact OD1-CD1 3.27Å; V317-F436 HydrophobicContact CB-CE1 4.11Å; V317-F436 HydrophobicContact CG1-CE1 4.09Å; V317-F436 HydrophobicContact CG1-CZ 4.38Å; L318-F436 HydrophobicContact CB-CZ 4.25Å; S432-F436 VanDerWaalsContact O-CD2 3.3Å; S432-F436 WeakPolarHBondContact O-CD2 3.49Å; S432-F436 VanDerWaalsContact O-CG 3.27Å; S432-F436 WeakPolarHBondContact O-CG 3.28Å; S432-F436 PolarHBondContact O-N 3.33Å; V433-F436 PolarHBondContact O-N 3.06Å; F436-W440 WeakPolarHBondContact O-CB 3.36Å; F436-W440 PolarHBondContact O-N 2.69Å
437A92.6Very high88.9Confident39 Ų3961.4 Ų61.432%0.32228%0.281SS..Hα-helixtrans-64.3-43.2172.700000111.9L247 V433 S434 F435 W440 L441L247-A437 HydrophobicContact CD2-CB 4.39Å; V433-A437 PolarHBondContact O-N 3.2Å; S434-A437 PolarHBondContact O-N 3.25Å; F435-A437 VanDerWaalsContact C-N 3.29Å; F435-A437 PolarHBondContact O-N 2.97Å; A437-W440 PolarHBondContact O-N 3.44Å; A437-L441 WeakPolarHBondContact O-CB 3.37Å; A437-L441 PolarHBondContact O-N 3.45Å
438A90.8Very high87.5Confident1 Ų163.1 Ų63.11%0.00829%0.294CS..Hα-helixtrans-63.6-42.5176.400000112.3L247 L248 I381 S434 F435 L441 A442L247-A438 HydrophobicContact CB-CB 4.01Å; L248-A438 HydrophobicContact CD2-CB 3.69Å; L248-A438 HydrophobicContact CG-CB 3.85Å; I381-A438 HydrophobicContact CD1-CB 4.23Å; S434-A438 WeakPolarHBondContact O-CB 3.37Å; S434-A438 PolarHBondContact O-N 2.96Å; F435-A438 PolarHBondContact O-N 3.43Å; F435-A438 VanDerWaalsContact O-N 3.17Å; A438-L441 PolarHBondContact O-N 3.36Å; A438-A442 WeakPolarHBondContact O-CB 3.34Å; A438-A442 PolarHBondContact O-N 3.49Å
439E89.2Confident86Confident23 Ų2367.2 Ų67.211%0.10732%0.322CS..Hα-helixtrans-64.6-41.2176.3-174.277165.800111.4R313 N314 I381 F435 L441 A442 E443R313-E439 WeakPolarHBondContact CG-OE1 3.25Å; R313-E439 IonicContact CZ-OE2 2.8Å; R313-E439 IonicContact NH1-OE1 2.74Å; R313-E439 PolarHBondContact NH1-OE1 3.2Å; R313-E439 IonicContact NH1-OE2 3.71Å; R313-E439 PolarHBondContact NH1-OE2 3.05Å; N314-E439 WeakPolarHBondContact OD1-CG 3.13Å; I381-E439 HydrophobicContact CD1-CB 4.13Å; I381-E439 WeakPolarHBondContact CD1-OE2 3.39Å; F435-E439 HydrophobicContact CE1-CB 4.48Å; F435-E439 PolarHBondContact O-N 3.1Å; E439-L441 VanDerWaalsContact C-N 3.35Å; E439-L441 PolarHBondContact O-N 3.46Å; E439-A442 WeakPolarHBondContact O-CB 3.2Å; E439-A442 PolarHBondContact O-N 2.85Å; E439-E443 WeakPolarHBondContact O-CB 3.36Å; E439-E443 PolarHBondContact O-N 2.67Å
440W88.6Confident84.2Confident195 Ų19565.9 Ų65.974%0.73932%0.321SS*.Hα-helixtrans-64.8-40.3176.5-176.520.3000112F436 A437 A442 E443 S444F436-W440 WeakPolarHBondContact O-CB 3.36Å; F436-W440 PolarHBondContact O-N 2.69Å; A437-W440 PolarHBondContact O-N 3.44Å; W440-A442 VanDerWaalsContact C-N 3.33Å; W440-E443 PolarHBondContact O-N 2.9Å; W440-S444 WeakPolarHBondContact O-CB 3.1Å; W440-S444 PolarHBondContact O-N 2.89Å; W440-S444 PolarHBondContact O-OG 3.28Å
441L86.8Confident82.2Confident56 Ų5670.4 Ų70.429%0.29333%0.333SS..Hα-helixtrans-62.1-41.9173.6-176.765.2000111.4E244 L247 A437 A438 E439 S444 R445E244-L441 HydrophobicContact CG-CD2 4.04Å; L247-L441 HydrophobicContact CD1-CD2 4.09Å; A437-L441 WeakPolarHBondContact O-CB 3.37Å; A437-L441 PolarHBondContact O-N 3.45Å; A438-L441 PolarHBondContact O-N 3.36Å; E439-L441 VanDerWaalsContact C-N 3.35Å; E439-L441 PolarHBondContact O-N 3.46Å; L441-S444 PolarHBondContact O-N 2.98Å; L441-R445 PolarHBondContact O-N 3.29Å
442A82.6Confident79.9Confident3 Ų373.6 Ų73.63%0.02537%0.366CS..Hα-helixtrans-62-46.3177.200000112.2F384 L385 A438 E439 W440 R445 R446F384-A442 HydrophobicContact CD1-CB 4.45Å; F384-A442 HydrophobicContact CE1-CB 4.22Å; L385-A442 HydrophobicContact CD1-CB 4.32Å; L385-A442 HydrophobicContact CD2-CB 3.52Å; L385-A442 HydrophobicContact CG-CB 4.09Å; A438-A442 WeakPolarHBondContact O-CB 3.34Å; A438-A442 PolarHBondContact O-N 3.49Å; E439-A442 WeakPolarHBondContact O-CB 3.2Å; E439-A442 PolarHBondContact O-N 2.85Å; W440-A442 VanDerWaalsContact C-N 3.33Å; A442-R445 PolarHBondContact O-N 3.48Å; A442-R446 PolarHBondContact O-N 3.49Å; A442-R446 VanDerWaalsContact O-N 3.13Å
443E82.3Confident77.8Confident71 Ų7178.1 Ų78.133%0.33240%0.398SS..Hα-helixtrans-68.4-35.6-179.9-172.563-164.100111.9E439 W440 R446 R447E439-E443 WeakPolarHBondContact O-CB 3.36Å; E439-E443 PolarHBondContact O-N 2.67Å; W440-E443 PolarHBondContact O-N 2.9Å; E443-R446 PolarHBondContact O-N 2.82Å; E443-R447 WeakPolarHBondContact O-CG 3.24Å; E443-R447 PolarHBondContact O-N 3.07Å; E443-R447 VanDerWaalsContact O-N 3.1Å; E443-R447 IonicContact OE1-NE 3.92Å
444S81.8Confident75.2Confident43 Ų4383.8 Ų83.830%0.30142%0.424SS..Hα-helixtrans-62.6-45.7176.2-570000111.2W440 L441 R446 R447 D448W440-S444 WeakPolarHBondContact O-CB 3.1Å; W440-S444 PolarHBondContact O-N 2.89Å; W440-S444 PolarHBondContact O-OG 3.28Å; L441-S444 PolarHBondContact O-N 2.98Å; S444-R446 VanDerWaalsContact C-N 3.32Å; S444-R446 PolarHBondContact O-N 3.23Å; S444-R447 PolarHBondContact O-N 3.14Å; S444-D448 PolarHBondContact O-N 3.1Å; S444-D448 VanDerWaalsContact O-N 3.09Å
445R73Confident74.2Confident145 Ų14586.7 Ų86.755%0.54744%0.436SS..Hα-helixtrans-63-36.9175.5-74.9-169.1177.1-164.65.8113.5E244 L441 A442 R447 D448 S449E244-R445 IonicContact OE1-CZ 2.76Å; E244-R445 IonicContact OE1-NE 3.41Å; E244-R445 IonicContact OE1-NH1 3.58Å; E244-R445 PolarHBondContact OE1-NH1 3.48Å; E244-R445 IonicContact OE1-NH2 2.62Å; E244-R445 PolarHBondContact OE1-NH2 3.45Å; L441-R445 PolarHBondContact O-N 3.29Å; A442-R445 PolarHBondContact O-N 3.48Å; R445-R447 VanDerWaalsContact C-N 3.34Å; R445-D448 PolarHBondContact O-N 2.77Å; R445-S449 PolarHBondContact O-N 2.92Å
446R72.6Confident73.2Confident114 Ų11491.2 Ų91.243%0.4346%0.459SS..Hα-helixtrans-61.7-44.9176.8-172.4-177.1178.2-177.1-0.5111.1F384 A442 E443 S444 S449 D450F384-R446 HydrophobicContact CZ-CG 4.49Å; A442-R446 PolarHBondContact O-N 3.49Å; A442-R446 VanDerWaalsContact O-N 3.13Å; E443-R446 PolarHBondContact O-N 2.82Å; S444-R446 VanDerWaalsContact C-N 3.32Å; S444-R446 PolarHBondContact O-N 3.23Å; R446-S449 PolarHBondContact O-N 3.42Å; R446-D450 PolarHBondContact O-N 3.1Å
447R70.6Confident72Confident154 Ų15492.9 Ų92.958%0.58147%0.47SS*.Hα-helixtrans-62.5-42.8176.7-70.7175.7177.8-168-2.9111.9E443 S444 R445 S449 D450 Y451E443-R447 WeakPolarHBondContact O-CG 3.24Å; E443-R447 PolarHBondContact O-N 3.07Å; E443-R447 VanDerWaalsContact O-N 3.1Å; E443-R447 IonicContact OE1-NE 3.92Å; S444-R447 PolarHBondContact O-N 3.14Å; R445-R447 VanDerWaalsContact C-N 3.34Å; R447-S449 VanDerWaalsContact C-N 3.32Å; R447-S449 PolarHBondContact O-N 3.29Å; R447-D450 PolarHBondContact O-N 3.39Å; R447-Y451 WeakPolarHBondContact O-CD2 3.48Å; R447-Y451 PolarHBondContact O-N 3.27Å
448D68.4Low70.8Confident119 Ų11996.1 Ų96.164%0.63648%0.478SS*.Hα-helixtrans-64.3-37.6178.2-67-21.1000112.1S444 R445 G452S444-D448 PolarHBondContact O-N 3.1Å; S444-D448 VanDerWaalsContact O-N 3.09Å; R445-D448 PolarHBondContact O-N 2.77Å; D448-G452 PolarHBondContact O-N 2.87Å
449S63.5Low69.6Low85 Ų85102.1 Ų102.159%0.59451%0.508SS*.Hα-helixtrans-67.5-40.9175.1-172.40000112.9R445 R446 R447 Y451 G452 S453R445-S449 PolarHBondContact O-N 2.92Å; R446-S449 PolarHBondContact O-N 3.42Å; R447-S449 VanDerWaalsContact C-N 3.32Å; R447-S449 PolarHBondContact O-N 3.29Å; S449-Y451 VanDerWaalsContact C-N 3.35Å; S449-G452 PolarHBondContact O-N 3.26Å; S449-S453 PolarHBondContact O-N 3.19Å
450D60.2Low68.3Low90 Ų90107.3 Ų107.348%0.48153%0.534SS..Hα-helixtrans-66-39178.1-76.2-16.3000110.6R446 R447 S453R446-D450 PolarHBondContact O-N 3.1Å; R447-D450 PolarHBondContact O-N 3.39Å; D450-S453 PolarHBondContact O-N 3.05Å; D450-S453 PolarHBondContact O-OG 3.19Å
451Y55Low66.8Low182 Ų182101.1 Ų101.171%0.71452%0.52SS*.Hα-helixtrans-70.5-30.4175.5-91.7-80.4000114.1R447 S449 S453R447-Y451 WeakPolarHBondContact O-CD2 3.48Å; R447-Y451 PolarHBondContact O-N 3.27Å; S449-Y451 VanDerWaalsContact C-N 3.35Å; Y451-S453 VanDerWaalsContact C-N 3.27Å; Y451-S453 PolarHBondContact O-N 3.45Å
452G47Very low65.3Low68 Ų68104.5 Ų104.570%0.70154%0.537SS*.Hα-helixtrans-77.2-10.5175.800000114.5D448 S449D448-G452 PolarHBondContact O-N 2.87Å; S449-G452 PolarHBondContact O-N 3.26Å
453S49.3Very low63.8Low95 Ų95113 Ų11366%0.66458%0.58SS**THydrogen-bonded Turntrans-96.8-4.2178.973.10000114.4S449 D450 Y451S449-S453 PolarHBondContact O-N 3.19Å; D450-S453 PolarHBondContact O-N 3.05Å; D450-S453 PolarHBondContact O-OG 3.19Å; Y451-S453 VanDerWaalsContact C-N 3.27Å; Y451-S453 PolarHBondContact O-N 3.45Å
454I42.3Very low62.2Low190 Ų190116.8 Ų116.897%0.97460%0.602SS**  trans-101.90173.5-57.7170.9000107.9

Retrieved 454 of 454 residues in 522.1 ms (Link to these results)

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