Table 2. The protein-protein docking (mNeph docked with 13 interested proteins) using the HDOCK free online server.
S. no. | Protein name | HDOCK docking score (-kcal/mol) | Ligand-receptor interface residue pair(s) | Bond distance■ (Aᵒ) |
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 |