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["Organism","Protein name","Sequence ID","Substrate","Binding Energy (K Cal)","Interacting Amino acid during last 1ns of MD Simulation","Corresponding residues identified in the endoinulinase catalytic subsites, conserved motifs or residues, involved in H-bonding with kestopentaose, described earlier [43]"]
["Aspergillus ficuum","Endoinulinase (Reference)","3SC7","Kestopentaose",-200.322,"TRP40, ASN42,GLU43,GLN133,ASN320, GLY323, SER324, ASN65,SER321, ALA64, VAL66,GLY68,TRP67,ASP298,ARG175,GLY195,GLU233","TRP40; ASN42; GLU43; ; ----; ASN320;GLY323;SER324;ASN65;SER321; ALA64; VAL66; GLY68; TRP67; ASP298; ARG175;----; GLU233"]
["Aspergillus calidoustus_P2","Putative Glycosyl hydrolase family protein","emb|CEL10429.1","Kestopentaose",-149.37,"ASN949; ASN968; TRP974; GLY975; SER1038; ARG1082, TYR1035, PRO1037; PHE973; ASN976; GLU1140; SER1230; GLU950","ASN42; ASN61; TRP67; GLY68;----;ARG175; TYR128;----;VAL66;ASN69;GLU233;SER321;GLU43"]
["Aspergillus fumigatus P1","Inulinase","ref|XP_748286.1","Kestopentaose",-20.784,"ASN55; THR113; SER334; ASP311; ASN333; GLN72; GLY244; GLU246; GLU186; GLY208; GLN148","ASN42; THR100 ;SER321 ;ASP298 ;ASN320 ; GLN59; ----; GLU233; GLU173; ----; GLN135"]
["Botrytis cenerea_p1","Putative Inulinase","gb|EMR84492.1","Kestopentaose",-134.45,"ASN565; GLN582; ASN584; TRP590; SER655; ARG698; THR847; TRP563; ASN843; GLU566; TYR651; PHE652; SER653","ASN42; GLN59; ASN61; TRP67; ----; ARG175; SER324; TRP40; ASN320; GLU43; TYR128; -----;----"]
["Fusarium oxysporum_H_P1","Hypothetical protein FOXB_04900","gb|EGU84583.1","Kestopentaose",-190.2,"ASN69; GLY76; GLN105; GLN 143; ARG183; ASN328; GLY331; SER329; ASN73; PHE74; TRP48;  TRP75; MET49; ASN50; ASN77; LEU78; TYR136;ASP139; ","ASN61; GLY68; GLU97; GLN135; ARG175; ASN320; GLY323; SER321; ASN65; VAL66; TRP40; TRP67; MET41; ASN42; ASN69; ILE70; TYR128;  "]
["Macrophomina phaseolina_P1","Glycosyl hydrolase family protein","gb|EKG19847.1","Kestopentaose",-167.2,"GLN19; ASN21; ASN25; PHE26; GLY28; ILE30; GLN57; TYR88; ARG135; ASN280; ASP284; GLY283; GLY293; TRP27; ASN29; GLN95; SER281; TYR282; ASN225; PHE257; ASP258;PRO4","GLN59; ASN61; ASN65; VAL66; GLY68; ILE70; GLU97; TYR128; ARG175; ASN320; ----; GLY323; ----; TRP67; ASN69;GLN135; SER321;TYR322-;ASN265; ----; ASP298; PRO44"]
["Oidiodendron maius_p1","carbohydrate-binding module family 38 protein","gb|KIN00055.1","Kestopentaose",-217.16,"ASN946; GLY949; GLN978; THR981; VAL1015; GLN1016; ARG1056; ASN 1146; TRP948; PHE947; TYR1009; GLY1052; LEU1053; ASP1057; GLU1114; GLN940; ASP1179; GLY1204; THR1205","ASN65; GLY68; GLU97; THR100; ----; GLN135; ARG175; ASN265; TRP67; VAL66; TYR128; ----; ----; ASP176; GLU233; GLN59; ASP298; GLY323; SER324;"]
["Penicillium nordicum_p1","hypothetical protein ACN38_g807","gb|KOS48216.1","Kestopentaose",-199.41,"GLN49; GLY58; THR90; ARG165; ASN255; ALA314; THR245; ALA247; TRP57; GLY313; ASN32; GLU33; GLN125; GLU223; TYR118; ASN59","GLN59; GLY68; THR100; ARG175; ASN265; SER324; ----; ALA257; TRP67; GLY323; ASN42; GLU43; GLN135; GLU233; TYR128; ASN69"]
["Stachybotrys chartarum_p1","hypothetical protein S7711_09192","gb|KEY73576.1","Kestopentaose",-196.43,"ASN48; GLN103; THR 106; THR132; GLN141; THR180; ARG181; GLY202; ASN204; TRP238; GLU179; GLY201; GLU239; LEU178; TYR134; ASP137; SER138; GLU49; PHE72; ASN71; GLY70; MET47; ","ASN42; GLU97; THR100; ----; GLN135; ----;ARG175; GLY196; ----;----; GLU173; ----; GLU233; ----; TYR128; ----; ----; GLU43; VAL66; ASN65; ALA64; MET41"]
["Talaromyces cellulolyticus P1","hypothetical protein TCE0_044r16118","dbj|GAM42285.1","Kestopentaose",-176.53,"ASN940; GLN957; GLY966; GLN995; THR998; TYR1026; GLN1033; ARG1073; ALA1155; ASN1163; VAL964; TRP965; GLU941;PRO1028; GLU1071; ASP1074; GLU1131; THR1153; PRO1154","ASN42; GLN59; GLY68; GLU97; THR100; TYR128; GLN135; ARG175; ALA257; ASN265; VAL964; TRP67; GLU43; ----; GLU173; ASP176; GLU233; "]
[]
[{"$nulls":6},"\"---\" indicates the corresponding aminoacid is not identified in the earlier report"]