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. 2024 Aug 6;16(8):e66332. doi: 10.7759/cureus.66332

Table 2. The protein-protein docking (mNeph docked with 13 interested proteins) using the HDOCK free online server.

hMMP 2: human matrix metalloproteinase 2; hMMP 9: human matrix metalloproteinase 9; hRBP 3: human retinol-binding protein 3; hRBP 4: human retinol-binding protein 4; hKLK 1: human kallikrein 1; hUromodulin: human uromodulin; hIGFBP 7: human insulin-like growth factor binding protein 7; hCystatin C: human cystatin C; hPodocin: human podocin, hBeta arrestin 1: human beta arrestin 1; hVANGL2: human vang-like protein 2; hDynamin 1: human dynamin 1; hTENC1: human tensin-like C1 domain-containing phosphatase; bond distance (Aᵒ): less than 4.0 Aᵒ; mNeph: mouse nephrin

S. no. Protein name HDOCK docking score (-kcal/mol) Ligand-receptor interface residue pair(s) Bond distance (A)
1 hMMP 2 176.95 Tyr155-Phe1249 2.60
Tyr155-Arg1252 2.16
Pro156-Phe1249 3.97
Asp161-Val1256 3.98
Gly162-Leu1255 3.73
Gly162-Val1256 2.84
Leu163-Val1256 3.69
Leu164-His1254 3.06
Leu164-Leu1255 3.91
Leu164-Val1256 0.83
Ala165-Gly1253 2.58
Ala165-His1254 3.06
His166-Gly1253 3.65
Tyr193-Val1256 2.65
His201-Gly1253 3.57
His201-His1254 3.52
Glu202-Gly1253 3.56
Glu202-His1254 3.03
His205-Leu1247 2.96
Glu210-Leu1247 2.32
His211-Leu1247 3.41
His211-Leu1251 2.11
His211-Gly1253 3.59
Pro221-His1254 3.95
Pro221-Leu1255 2.86
Ile222-His1254 3.75
Ile222-Leu1255 2.44
Tyr223-His1254 2.22
Tyr223-Leu1255 2.62
Tyr223-Val1256 3.75
2 hMMP 9 205.44 Tyr149-Phe1249 2.29
Tyr149-Arg1252 2.69
Gly186-Val1256 2.88
Leu188-His1254 3.56
Leu188-Val1256 2.12
Ala189-Arg1252 3.91
Ala189-Gly1253 2.49
Ala189-His1254 3.63
His190-Arg1252 3.55
His190-Gly1253 3.57
Ala191-Arg1252 3.35
Phe192-Arg1252 3.74
Pro193-Leu1247 3.52
Tyr218-Val1256 3.26
His226-Gly1253 3.25
His226-His1254 3.48
Gln227-Gly1253 3.04
Gln227-His1254 2.91
His230-Leu1247 2.44
His230-Leu1251 3.81
His230-Gly1253 3.79
Asp235-Leu1247 3.67
His236-Leu1251 2.33
His236-Gly1253 3.57
Pro246-Leu1255 1.97
Met247-His1254 3.14
Met247-Leu1255 2.64
Tyr248-His1254 2.14
Tyr248-Leu1255 2.13
Tyr248-Val1256 2.81
3 hRBP 3 166.45 Tyr19-His1254 3.46
Leu20-His1254 3.02
Leu23-His1254 3.59
Ile25-Gly1253 2.66
Ile25-His1254 2.87
Ser26-Arg1252 3.92
Val29-Arg1252 3.65
Val29-Gly1253 2.83
Val29-His1254 3.60
Leu36-Val1256 2.10
Pro38-Val1256 3.71
Thr53-Val1256 2.69
Leu54-Val1256 3.64
Ser55-Val1256 2.84
Arg58-Phe1249 3.25
Arg58-Glu1250 2.63
Arg58-Leu1251 3.75
Arg58-Arg1252 2.64
Arg58-Leu1255 2.39
Arg58-Val1256 2.02
Asn59-Leu1255 2.36
Asn59-Val1256 3.49
Tyr60-Leu1255 2.97
Arg75-Leu1251 2.68
Ser76-Leu1255 2.94
Val77-Leu1251 3.97
Val77-Gly1253 1.65
Val77-His1254 2.75
Val77-Leu1255 3.51
Asp78-Leu1247 3.51
Asp78-Gly1253 3.85
4 hKLK 1 206.39 Phe40-His1254 2.20
Gln41-Arg1252 3.99
Gln41-Gly1253 2.16
Gln41-His1254 3.25
His57-Leu1247 3.35
His57-Arg1252 3.10
Leu95-Phe1249 2.84 and 3.33
Leu95-Glu1250 3.95
Leu95-Arg1252 2.78 and 2.95
Tyr99-Leu1247 3.18
Tyr99-Pro1248 3.51
Tyr99-Arg1252 3.07
Phe149-Leu1251 3.75
Phe151-His1254 2.78
Phe151-Leu1255 3.26
Val192-Leu1251 2.53
Val192-Gly1253 3.51
Ser195-Leu1247 2.53
Ser214-Leu1247 2.94
Trp215-Leu1247 3.50
Val218-Leu1251 3.04
5 hUromodulin 169.37 Asp38-Leu1255 2.75
Asp38-Val1256 3.66
Lys39-Val1256 3.56
His63-Phe1249 3.61
Pro64-Phe1249 3.89
Asp65-Phe1249 3.51
Asp65-Arg1252 1.75
Lys66-Arg1252 3.69
Lys66-Gly1253 3.93
Glu68-Gly1253 3.82
Glu68-His1254 3.27
Trp86-His1254 3.03
Trp86-Val1256 3.64
Ala87-Val1256 3.70
Glu135-Val1256 2.08
Glu177-Gly1253 2.32
Glu177-His1254 2.65
Glu177-Leu1255 3.78
Tyr179-His1254 3.73
Tyr179-Leu1255 3.60
Tyr179-Val1256 3.91
Phe180-Leu1255 2.55
Asp233-Leu1251 2.71
Tyr234-Leu1251 3.70
Tyr234-Leu1255 2.98
Ser235-Glu1250 3.68
Ser235-Leu1251 3.71
Trp254-Leu1255 3.91
Trp254-Val1256 3.03
Trp364-His1254 3.61
Ile402-Leu1247 3.21
6 hRBP 4 180.22 Phe36-His1254 3.07
Phe36-Leu1255 3.97
Leu37-His1254 2.92
Ile41-His1254 3.99
Phe45-Val1256 3.41
Ala57-Val1256 1.88
Met73-His1254 2.75
Phe77-Val1256 3.48
Met88-Leu1255 1.47
Met88-Val1256 1.65
Tyr90-Leu1251 3.76
Tyr90-Arg1252 2.15
Tyr90-Gly1253 3.04
Tyr90-His1254 3.33
Tyr90-Leu1255 3.66
Gln98-Gly1253 3.66
Lys99-Phe1249 2.73
Lys99-Arg1252 2.55
Gly100-Phe1249 2.84
Gly100-Arg1252 3.65
Asn101-Phe1249 3.88
Asn101-Glu1250 2.35
Asp102-Glu1250 2.77
Asp102-Leu1251 3.91
Asp102-Leu1255 2.83
Asp103-Leu1255 2.95
His104-Leu1255 3.95
His104-Val1256 3.20
Gln117-Leu1255 3.78
Ser119-Leu1255 3.33
Arg121-Leu1251 2.33
Arg121-Gly1253 2.96
Asp131-Leu1251 3.92
Tyr133-Leu1255 1.19
Phe135-His1254 2.56
Phe135-Leu1255 3.56
7 hIGFBP 7 167.09 Leu191-Leu1247 2.73
Ala192-Gly1253 3.54
Leu193-Leu1247 3.21
Leu193-Arg1252 3.04
Leu193-Gly1253 3.84
Gly195-Arg1252 3.43
Pro196-Arg1252 3.83
Gly197-Leu1247 2.92
Gly197-Arg1252 3.00
Gln198-Leu1247 3.18
Gln198-Pro1248 3.54
Val199-Leu1247 2.69
Tyr201-Leu1247 3.15
Ser210-Leu1247 3.34
Ser210-Pro1248 3.52
Ser210-Leu1251 3.90
Ser211-Leu1251 2.87
Phe266-Phe1249 2.93
Phe266-Arg1252 2.34
Asn267-Phe1249 3.22
Asn267-Arg1252 3.55
Gly270-Gly1253 3.97
His272-His1254 2.51
His272-Val1256 3.06
8 hCystatin C 164.90 Val10-Glu1250 2.35
Val10-Leu1251 2.37
Val10-Arg1252 3.76
Val10-Leu1255 3.40
Gly11-Leu1251 3.19
Gly11-Gly1253 3.20
Gly11-Leu1255 3.65
Gly12-Leu1255 2.97
Met14-Leu1251 3.86
Gln55-His1254 2.77
Gln55-Leu1255 3.64
Ile56-Leu1247 2.86
Ile56-Leu1251 3.70
Ile56-Gly1253 2.46
Ile56-His1254 3.01
Val57-His1254 3.33
Ala58-Gly1253 3.31
Ala58-His1254 3.47
Tyr102-His1254 3.92
Trp106-Phe1249 3.55
Trp106-Arg1252 2.74
Trp106-Gly1253 2.98
Gln107-His1254 2.74
Gln107-Leu1255 3.58
Gln107-Val1256 3.14
Gln107-Val1256 3.46
9 hPodocin 164.41 Pro89-Pro1248 3.87
Pro89-Arg1252 3.11
Glu90-Leu1247 3.92
Glu90-Arg1252 2.78
Glu91-Arg1252 3.68
Gly92-Phe1249 3.08
Thr93-Phe1249 2.93
Leu142-Leu1251 3.80
Leu143-Glu1250 3.04
Leu143-Leu1255 3.08
Pro144-Glu1250 3.32
Pro144-Leu1253 3.31
Gly145-Glu1250 3.10
Gly145-Leu1251 3.42
Gly145-Arg1252 3.55
Gly145-Gly1253 3.39
Gly145-Leu1255 3.81
Arg146-Leu1247 3.66
Arg146-Leu1251 3.28
Arg146-Gly1253 2.49
Arg146-Leu1255 3.11
Lys148-Leu1255 3.23
Lys148-Val1256 3.13
Ser201-Leu1251 2.38
Leu202-Leu1251 3.71
10 hBeta arrestin 166.14 Thr56-Phe1249 2.82
Ala60-Leu1255 3.27
Glu66-His1254 3.21
Arg76-Glu1250 2.66
Arg76-Leu1255 2.44
Asp78-Glu1250 2.75
Val81-Glu1250 3.49
Asn83-Phe1249 3.51
Asp143-Val1256 3.25
Glu145-His1254 3.97
Glu145-Val1256 3.94
Lys147-Phe1249 3.24
Phe149-Phe1249 2.72
Leu154-Arg1252 3.31
Glu155-Arg1252 3.85
Glu156-Arg1252 3.13
Lys157-Leu1247 3.57
Lys157-Arg1252 3.39
Ile158-Phe1249 2.79
Arg165-Arg1252 3.67
Arg165-Gly1253 3.22
Arg165-His1254 3.37
Val167-Val1256 2.91
11 hVANGL2 177.26 Phe120-Leu1247 2.70
Phe120-Arg1252 3.51
Leu124-Leu1247 3.12
Leu124-Arg1252 3.86
Leu124-Gly1253 2.95
Leu127-His1254 3.42
Leu128-His1254 3.87
Pro131-His1254 3.21
Glu146-Val1256 3.81
Phe149-His1254 3.29
Phe149-Val1256 2.84
Ala153-Phe1249 3.12
Ala153-Arg1252 3.44
Phe154-Phe1249 3.47
Leu156-Arg1252 3.36
Leu157-Phe1249 3.72
Leu157-Arg1252 2.44
Leu160-Arg1252 3.41
Tyr212-His1254 2.72
12 hDynamin 1   186.17 Gln198-Phe1249 2.85
Gln198-Glu1250 2.59
Leu220-Val1256 3.82
Asn222-Val1256 3.38
Arg228-Glu1250 3.05
Arg228-Leu1255 2.07
Arg229-Phe1249 2.41
Arg229-Glu1250 3.28
Arg229-Leu1255 3.55
Arg229-Val1256 3.30
Gly230-Leu1255 3.76
Gly230-Val1256 2.08
Tyr231-Val1256 3.06
Ile232-Val1256 3.45
Arg271-His1254 2.49
Arg271-Leu1255 3.37
Tyr276-His1254 3.04
Tyr276-Val1256 2.71
Gln284-Phe1249 3.97
Gln284-Arg1252 3.89
Asn287-Phe1249 3.70
Asn287-Arg1252 2.81
Asn287-Gly1253 3.96
His288-Phe1249 3.51
Asp291-Phe1249 2.82
Asp291-Arg1252 2.44
13 hTENC1 186.64 Tyr1280-Gly1253 3.35
Tyr1280-His1254 3.66
Ser1283-His1254 3.41
Thr1310-Leu1247 2.28
Ala1312-Arg1252 2.90
Asp1327-Arg1252 2.86
Leu1332-Phe1249 3.40
Phe1333-Phe1249 3.05
Phe1334-Phe1249 3.71
Phe1334-Arg1252 3.53
Phe1334-Gly1253 2.87
Phe1334-His1254 3.53
Arg1336-His1254 2.50
Arg1336-Leu1255 3.26
Arg1336-Val1256 3.15
Tyr1338-His1254 3.23
Lys1372-His1254 3.29
Lys1372-Leu1255 2.38
Lys1372-Val1256 2.98
Pro1373-Val1256 3.22
Gly1374-Val1256 3.33
Val1380-His1254 3.00
His1382-His1254 2.81