Receptor
PDB id Resolution Class Description Source Keywords
5REQ 2.2 Å EC: 5.4.99.2 METHYLMALONYL-COA MUTASE, Y89F MUTANT, SUBSTRATE COMPLEX PROPIONIBACTERIUM FREUDENREICHII SUBSPSHERMANII ISOMERASE MUTASE INTRAMOLECULAR TRANSFERASE
Ref.: STABILIZATION OF RADICAL INTERMEDIATES BY AN ACTIVE TYROSINE RESIDUE IN METHYLMALONYL-COA MUTASE. BIOCHEMISTRY V. 37 14386 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B12 A:1800;
C:2800;
Part of Protein;
Part of Protein;
none;
none;
submit data
1330.36 C62 H89 Co N13 O14 P Cc1cc...
GOL B:3001;
B:3002;
D:3003;
D:3004;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MCD A:1802;
C:2802;
Valid;
Valid;
none;
none;
submit data
849.568 C26 H42 N7 O19 P3 C[C@@...
SCD A:1801;
C:2801;
Valid;
Valid;
none;
none;
submit data
849.568 C26 H42 N7 O19 P3 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1REQ 2 Å EC: 5.4.99.2 METHYLMALONYL-COA MUTASE PROPIONIBACTERIUM FREUDENREICHII SUBSPSHERMANII ISOMERASE MUTASE INTRAMOLECULAR TRANSFERASE
Ref.: HOW COENZYME B12 RADICALS ARE GENERATED: THE CRYSTA STRUCTURE OF METHYLMALONYL-COENZYME A MUTASE AT 2 A RESOLUTION. STRUCTURE V. 4 339 1996
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6REQ - 3CP C25 H42 N7 O18 P3 S CC(C)(CO[P....
2 2REQ - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 5REQ - MCD C26 H42 N7 O19 P3 C[C@@H](C(....
4 4REQ - MCA C25 H40 N7 O19 P3 S C[C@H](C(=....
5 7REQ - 2CP C25 H42 N7 O18 P3 S C[C@@H](CS....
6 1REQ - DCA C21 H36 N7 O16 P3 CCNC(=O)CC....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6REQ - 3CP C25 H42 N7 O18 P3 S CC(C)(CO[P....
2 2REQ - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 5REQ - MCD C26 H42 N7 O19 P3 C[C@@H](C(....
4 4REQ - MCA C25 H40 N7 O19 P3 S C[C@H](C(=....
5 7REQ - 2CP C25 H42 N7 O18 P3 S C[C@@H](CS....
6 1REQ - DCA C21 H36 N7 O16 P3 CCNC(=O)CC....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6REQ - 3CP C25 H42 N7 O18 P3 S CC(C)(CO[P....
2 2REQ - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 5REQ - MCD C26 H42 N7 O19 P3 C[C@@H](C(....
4 4REQ - MCA C25 H40 N7 O19 P3 S C[C@H](C(=....
5 7REQ - 2CP C25 H42 N7 O18 P3 S C[C@@H](CS....
6 1REQ - DCA C21 H36 N7 O16 P3 CCNC(=O)CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MCD; Similar ligands found: 158
No: Ligand ECFP6 Tc MDL keys Tc
1 MCD 1 1
2 CMX 0.884298 0.977012
3 AMX 0.876033 0.965517
4 HAX 0.854839 0.933333
5 SCD 0.84252 0.977012
6 COA 0.836066 0.954545
7 0T1 0.836066 0.954545
8 DCA 0.834711 0.954545
9 FCX 0.832 0.944444
10 30N 0.830645 0.875
11 CA6 0.826772 0.886598
12 SCO 0.824 0.977012
13 NMX 0.820312 0.884211
14 ETB 0.819672 0.943182
15 FAM 0.81746 0.933333
16 COS 0.816 0.933333
17 CAO 0.816 0.923077
18 MCA 0.815385 0.966292
19 CAJ 0.813953 0.977273
20 2CP 0.80916 0.966292
21 CMC 0.806202 0.955056
22 ACO 0.80315 0.966292
23 OXK 0.79845 0.955056
24 SOP 0.79845 0.955056
25 A1S 0.793893 0.955056
26 CO6 0.792308 0.955056
27 FYN 0.790698 0.954545
28 3KK 0.790698 0.955056
29 3CP 0.789474 0.955056
30 CA8 0.789474 0.848485
31 COK 0.784615 0.933333
32 SCA 0.781955 0.955056
33 3HC 0.780303 0.94382
34 MLC 0.780303 0.955056
35 IVC 0.780303 0.94382
36 1VU 0.778626 0.944444
37 COF 0.776119 0.913043
38 2MC 0.772727 0.913979
39 BCO 0.766917 0.933333
40 1HE 0.766917 0.934066
41 GRA 0.764706 0.955056
42 IRC 0.762963 0.94382
43 2KQ 0.762963 0.977528
44 HGG 0.762963 0.955056
45 CAA 0.761194 0.94382
46 COO 0.761194 0.933333
47 YE1 0.761194 0.94382
48 TGC 0.759124 0.944444
49 4CA 0.757353 0.923077
50 MC4 0.755556 0.904255
51 CIC 0.753623 0.955056
52 HXC 0.751825 0.955556
53 COW 0.75 0.923077
54 BYC 0.75 0.933333
55 1GZ 0.75 0.923077
56 BCA 0.744526 0.923077
57 FAQ 0.744526 0.933333
58 0ET 0.742857 0.955556
59 1CZ 0.741007 0.944444
60 S0N 0.741007 0.955056
61 CO8 0.741007 0.955556
62 2NE 0.741007 0.913043
63 CS8 0.737589 0.945055
64 ST9 0.735714 0.955556
65 DCC 0.735714 0.955556
66 UCC 0.735714 0.955556
67 MYA 0.735714 0.955556
68 5F9 0.735714 0.955556
69 MFK 0.735714 0.955556
70 4CO 0.735714 0.923077
71 0FQ 0.735714 0.933333
72 UOQ 0.732394 0.955556
73 NHW 0.732394 0.955556
74 NHM 0.732394 0.955556
75 01A 0.730496 0.893617
76 MRR 0.727273 0.955556
77 MRS 0.727273 0.955556
78 1CV 0.725352 0.955056
79 HDC 0.72028 0.955556
80 NHQ 0.719178 0.94382
81 HFQ 0.715278 0.913043
82 WCA 0.713287 0.913043
83 YNC 0.710345 0.923077
84 4KX 0.708333 0.903226
85 8Z2 0.705479 0.945055
86 01K 0.704698 0.955056
87 DAK 0.69863 0.903226
88 CA3 0.679739 0.933333
89 COT 0.677632 0.933333
90 COD 0.676923 0.943182
91 1HA 0.675497 0.913043
92 93P 0.675159 0.944444
93 93M 0.664596 0.944444
94 CCQ 0.657534 0.913979
95 CA5 0.647799 0.893617
96 UCA 0.63354 0.955556
97 CO7 0.627586 0.933333
98 OXT 0.604651 0.914894
99 5TW 0.588571 0.914894
100 4BN 0.588571 0.914894
101 JBT 0.581006 0.915789
102 BSJ 0.574713 0.923913
103 PAP 0.563025 0.793103
104 COA PLM 0.55414 0.923077
105 PLM COA 0.55414 0.923077
106 COA MYR 0.55414 0.923077
107 HMG 0.551282 0.922222
108 A3P 0.512605 0.781609
109 PPS 0.512 0.71875
110 ACE SER ASP ALY THR NH2 COA 0.497326 0.933333
111 0WD 0.493151 0.771739
112 SFC 0.48503 0.934066
113 RFC 0.48503 0.934066
114 191 0.465839 0.848485
115 PTJ 0.463235 0.873563
116 3AM 0.45 0.770115
117 48N 0.441379 0.831461
118 A22 0.440298 0.795455
119 PUA 0.43871 0.802198
120 A2D 0.435484 0.784091
121 PAJ 0.433824 0.885057
122 YLB 0.432432 0.909091
123 3OD 0.431655 0.827586
124 SAP 0.430769 0.769231
125 AGS 0.430769 0.769231
126 ATR 0.430769 0.781609
127 ADP 0.425197 0.804598
128 A2R 0.422222 0.816092
129 YLP 0.421769 0.909091
130 TXA 0.421429 0.818182
131 BA3 0.417323 0.784091
132 NA7 0.417266 0.83908
133 OAD 0.417266 0.827586
134 ATP 0.415385 0.804598
135 B4P 0.414062 0.784091
136 AP5 0.414062 0.784091
137 AQP 0.412214 0.804598
138 AR6 0.412214 0.804598
139 2A5 0.412214 0.827586
140 APR 0.412214 0.804598
141 5FA 0.412214 0.804598
142 BIS 0.411348 0.8
143 AN2 0.410853 0.795455
144 5AL 0.410448 0.816092
145 M33 0.407692 0.795455
146 ATF 0.407407 0.777778
147 A A A 0.407143 0.795455
148 OMR 0.406667 0.897727
149 8QN 0.405797 0.816092
150 SRP 0.404412 0.83908
151 WAQ 0.404255 0.862069
152 ANP 0.402985 0.786517
153 ADQ 0.402878 0.806818
154 1ZZ 0.401408 0.886364
155 NB8 0.401408 0.811111
156 APU 0.401316 0.769231
157 AHX 0.4 0.811111
158 NJP 0.4 0.788889
Ligand no: 2; Ligand: SCD; Similar ligands found: 148
No: Ligand ECFP6 Tc MDL keys Tc
1 SCD 1 1
2 CMX 0.900826 1
3 AMX 0.861789 0.988235
4 SCO 0.854839 1
5 MCD 0.84252 0.977012
6 HAX 0.84127 0.954545
7 COA 0.822581 0.976744
8 0T1 0.822581 0.976744
9 DCA 0.821138 0.954023
10 30N 0.81746 0.893617
11 CAO 0.81746 0.94382
12 COS 0.81746 0.954545
13 CA6 0.813953 0.865979
14 SCA 0.810606 0.977012
15 CMC 0.807692 0.977012
16 NMX 0.807692 0.903226
17 ETB 0.806452 0.920455
18 ACO 0.804688 0.94382
19 FCX 0.804688 0.965909
20 3CP 0.804511 0.977012
21 CAJ 0.801527 0.977012
22 OXK 0.8 0.977012
23 MLC 0.795455 0.977012
24 CO6 0.793893 0.954545
25 GRA 0.792593 0.977012
26 FYN 0.792308 0.976744
27 3KK 0.792308 0.954545
28 FAM 0.790698 0.954545
29 SOP 0.78626 0.954545
30 COK 0.78626 0.954545
31 A1S 0.781955 0.954545
32 1VU 0.780303 0.94382
33 2KQ 0.777778 0.955056
34 CA8 0.777778 0.865979
35 HGG 0.777778 0.977012
36 MCA 0.776119 0.965909
37 2MC 0.774436 0.913043
38 MC4 0.77037 0.903226
39 2CP 0.77037 0.965909
40 BCO 0.768657 0.954545
41 1HE 0.768657 0.933333
42 3HC 0.768657 0.965517
43 IVC 0.768657 0.965517
44 1CZ 0.768116 0.965909
45 COF 0.764706 0.933333
46 COO 0.762963 0.954545
47 CAA 0.762963 0.965517
48 TGC 0.76087 0.965909
49 BCA 0.759124 0.94382
50 CIC 0.755396 0.977012
51 HXC 0.753623 0.933333
52 COW 0.751825 0.94382
53 IRC 0.751825 0.965517
54 1GZ 0.751825 0.94382
55 BYC 0.751825 0.954545
56 1CV 0.751773 0.977012
57 YE1 0.75 0.965517
58 UOQ 0.746479 0.933333
59 NHW 0.746479 0.933333
60 NHM 0.746479 0.933333
61 4CA 0.746377 0.94382
62 FAQ 0.746377 0.954545
63 CO8 0.742857 0.933333
64 DCC 0.737589 0.933333
65 ST9 0.737589 0.933333
66 UCC 0.737589 0.933333
67 MYA 0.737589 0.933333
68 MFK 0.737589 0.933333
69 5F9 0.737589 0.933333
70 0ET 0.732394 0.933333
71 2NE 0.730496 0.933333
72 S0N 0.730496 0.977012
73 CS8 0.727273 0.923077
74 4CO 0.725352 0.94382
75 0FQ 0.725352 0.954545
76 HDC 0.722222 0.933333
77 01A 0.72028 0.913043
78 MRR 0.717241 0.933333
79 MRS 0.717241 0.933333
80 WCA 0.715278 0.933333
81 YNC 0.712329 0.94382
82 4KX 0.710345 0.923077
83 NHQ 0.709459 0.965517
84 8Z2 0.707483 0.923077
85 HFQ 0.705479 0.933333
86 DAK 0.70068 0.923077
87 01K 0.695364 0.954545
88 1HA 0.677632 0.933333
89 CA3 0.670968 0.954545
90 COT 0.668831 0.954545
91 COD 0.666667 0.965116
92 CCQ 0.659864 0.913043
93 93P 0.65625 0.965909
94 93M 0.646341 0.965909
95 UCA 0.645963 0.933333
96 CA5 0.639752 0.913043
97 CO7 0.630137 0.954545
98 OXT 0.597701 0.893617
99 JBT 0.583333 0.894737
100 4BN 0.581921 0.893617
101 5TW 0.581921 0.893617
102 BSJ 0.577143 0.944444
103 HMG 0.564103 0.943182
104 COA MYR 0.556962 0.901099
105 COA PLM 0.556962 0.901099
106 PLM COA 0.556962 0.901099
107 PAP 0.553719 0.811765
108 A3P 0.504132 0.8
109 PPS 0.503937 0.734043
110 ACE SER ASP ALY THR NH2 COA 0.492063 0.932584
111 0WD 0.486486 0.788889
112 191 0.478261 0.846939
113 SFC 0.470588 0.933333
114 RFC 0.470588 0.933333
115 PTJ 0.446043 0.894118
116 3AM 0.442623 0.788235
117 A22 0.433824 0.813953
118 PUA 0.433121 0.820225
119 WAQ 0.428571 0.882353
120 A2D 0.428571 0.802326
121 PAJ 0.427536 0.905882
122 YLB 0.426667 0.930233
123 48N 0.425676 0.829545
124 3OD 0.425532 0.847059
125 AGS 0.424242 0.786517
126 SAP 0.424242 0.786517
127 ATR 0.424242 0.8
128 NJP 0.422078 0.806818
129 ADP 0.418605 0.823529
130 YLP 0.416107 0.908046
131 A2R 0.416058 0.835294
132 OAD 0.411348 0.847059
133 NA7 0.411348 0.858824
134 BA3 0.410853 0.802326
135 ATP 0.409091 0.823529
136 SRP 0.408759 0.858824
137 AP5 0.407692 0.802326
138 B4P 0.407692 0.802326
139 APR 0.406015 0.823529
140 5FA 0.406015 0.823529
141 AQP 0.406015 0.823529
142 AR6 0.406015 0.823529
143 2A5 0.406015 0.847059
144 1ZZ 0.405594 0.863636
145 AN2 0.40458 0.813953
146 DLL 0.404255 0.813953
147 M33 0.401515 0.813953
148 LAQ 0.4 0.822222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1REQ; Ligand: DCA; Similar sites found: 110
This union binding pocket(no: 1) in the query (biounit: 1req.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SR9 KIV 0.03703 0.41767 1.72684
2 3O2K DST 0.03529 0.41864 2.1097
3 3B6R ADP 0.03195 0.4034 2.3622
4 1DJX I3P 0.01347 0.43316 2.40385
5 4AMW 5DI 0.03568 0.4178 2.51177
6 4KCT PYR 0.01732 0.43146 2.80561
7 1U6R ADP 0.01632 0.41459 2.89474
8 1G51 AMP 0.01892 0.43314 2.93103
9 2JBM SRT 0.02914 0.40757 3.01003
10 3GD9 GLC BGC BGC BGC 0.006733 0.44468 3.26975
11 2ICK DMA 0.04848 0.40038 3.43348
12 2VEG PMM 0.03284 0.41641 3.45369
13 5MRH Q9Z 0.047 0.4079 3.45369
14 4FXQ G9L 0.01952 0.4333 3.47826
15 4RW3 IPD 0.008608 0.44783 3.64238
16 3H22 B53 0.0165 0.42105 3.7037
17 2CIR BG6 0.04052 0.41531 3.7037
18 3A16 PXO 0.008536 0.43311 3.75335
19 3P7N FMN 0.0253 0.40245 3.87597
20 3U6W KIV 0.04676 0.41234 3.98126
21 2J5B TYE 0.01526 0.43315 4.02299
22 2XG5 EC2 0.01847 0.41849 4.04624
23 2XG5 EC5 0.01847 0.41849 4.04624
24 5F7J ADE 0.01797 0.43658 4.0625
25 4D4U FUC GAL 0.006684 0.45332 4.12698
26 1VJ7 GPX 0.02018 0.42679 4.3257
27 4NZF ARB 0.04657 0.41188 4.46429
28 2R5V HHH 0.02206 0.41816 4.48179
29 1EYE PMM 0.04825 0.40048 4.64286
30 4HWT 1B2 0.01606 0.41183 4.84262
31 4H6B 10Y 0.04857 0.40362 5.12821
32 4H6B 10X 0.04878 0.40023 5.12821
33 1H8S AIC 0.04661 0.4081 5.15873
34 3MI3 LYS 0.04557 0.41241 5.20095
35 5M77 7K2 7K3 0.042 0.40364 5.26316
36 1ULE GLA GAL NAG 0.03703 0.40385 5.33333
37 3PGU OLA 0.03878 0.40885 5.38642
38 2IUW AKG 0.03832 0.41275 5.46218
39 1VRP ADP 0.01355 0.42536 5.51181
40 5MX4 HPA 0.003481 0.47484 5.5794
41 2GVJ DGB 0.002616 0.44537 5.70265
42 2Y5S 78H 0.02047 0.41984 5.78231
43 4JH6 FCN 0.04625 0.40829 5.7971
44 2G30 ALA ALA PHE 0.0002545 0.47434 5.81395
45 1NKI PPF 0.02064 0.4316 5.92593
46 4J0M BLD 0.04546 0.40184 5.96546
47 1OPB RET 0.02407 0.40348 5.97015
48 3KYF 5GP 5GP 0.03853 0.409 6.06061
49 4XDA RIB 0.02224 0.42166 6.14887
50 1F52 ADP 0.03721 0.40638 6.19658
51 1MH5 HAL 0.01438 0.40031 6.84932
52 3T7V MD0 0.03923 0.41606 6.85714
53 4WOE ADP 0.002542 0.48483 6.90738
54 3CBC DBS 0.04737 0.40265 7.07071
55 3BJE URA 0.01073 0.44767 7.16332
56 1Y9Q MED 0.03979 0.41452 7.29167
57 2A5F NAD 0.04102 0.40099 7.42857
58 1AJ0 PH2 0.03421 0.40192 7.44681
59 3LGS ADE 0.02034 0.43212 7.49064
60 1EX7 5GP 0.03272 0.42047 7.52688
61 4BG4 ADP 0.01161 0.42175 7.58427
62 4LIT AKG 0.01338 0.44346 7.61671
63 4DSU BZI 0.00572 0.46377 7.93651
64 5NBW 8SK 0.03816 0.40581 8.10811
65 4IF4 BEF 0.02331 0.40545 8.17308
66 5BTX CMP 0.01321 0.44182 8.21918
67 1DZK PRZ 0.03563 0.40104 8.28025
68 4RYV ZEA 0.03323 0.41242 8.3871
69 3H0L ADP 0.001742 0.48507 8.51064
70 3THR C2F 0.0244 0.40921 8.53242
71 2Y7P SAL 0.03183 0.42114 8.7156
72 5LUN OGA 0.0355 0.41849 8.80682
73 4JN6 OXL 0.04068 0.40757 8.82353
74 2C49 ADN 0.02927 0.40229 8.9404
75 2P7Q GG6 0.03796 0.41298 9.02256
76 1KTC NGA 0.04686 0.41173 9.1358
77 2ZSC BTN 0.04211 0.40041 9.21986
78 2E27 AB0 0.03862 0.40554 10.084
79 1ZOT EMA 0.04372 0.40607 10.1449
80 3ZGJ RMN 0.01318 0.44238 10.2426
81 3SAO DBH 0.003573 0.47607 10.625
82 3SAO NKN 0.01031 0.43928 10.625
83 2VDF OCT 0.02729 0.44929 10.6719
84 1SN0 T44 0.04515 0.40199 10.7692
85 4FK7 P34 0.001397 0.48442 10.917
86 4OCT AKG 0.02671 0.41745 11.2613
87 3ZW0 FUC 0.0239 0.42758 11.4943
88 3ZW2 GAL FUC 0.02891 0.41208 11.4943
89 3ZW2 NAG GAL FUC 0.02891 0.40873 11.4943
90 1ZNY GDP 0.03085 0.42189 11.5942
91 2WZ5 MET 0.008593 0.42046 11.7647
92 3WG3 A2G GAL NAG FUC 0.02397 0.42823 11.7978
93 1Y7P RIP 0.04882 0.40792 12.5561
94 3JQ3 ADP 0.02765 0.41666 12.8415
95 2BO9 VAL 0.03465 0.41908 13.0631
96 3ESS 18N 0.03622 0.4149 13.4783
97 1P0Z FLC 0.04491 0.41302 13.7405
98 1AD4 HH2 0.01126 0.4294 14.2857
99 2YKL NLD 0.01375 0.42876 14.3519
100 5EWK P34 0.02492 0.42687 14.5
101 4B1M FRU FRU 0.01103 0.44684 15.1351
102 1IIU RTL 0.0173 0.40456 16.092
103 4COQ SAN 0.04524 0.41233 16.1943
104 4B1L FRU 0.01793 0.43023 16.9697
105 4CSD MFU 0.04248 0.41303 17.2794
106 2FKA BEF 0.00589 0.45798 18.6047
107 2TPI ILE VAL 0.03161 0.40066 18.7773
108 1UGY GLA BGC 0.0169 0.42654 20
109 2BOS GLA GAL 0.01159 0.41178 29.4118
110 4M1U A2G MBG 0.01921 0.42148 30
Pocket No.: 2; Query (leader) PDB : 1REQ; Ligand: DCA; Similar sites found: 19
This union binding pocket(no: 2) in the query (biounit: 1req.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OFL NGK GCD 0.04801 0.40862 1.8711
2 2VQ5 HBA 0.03195 0.41309 2.98507
3 3JU6 ANP 0.001998 0.48748 3.24324
4 1S5O 152 0.01888 0.43593 3.57143
5 2BMB PMM 0.04802 0.40059 4.40367
6 3GM5 CIT 0.009758 0.44625 5.03145
7 1GPM CIT 0.03822 0.41693 5.33333
8 2CI5 HCS 0.04273 0.40607 5.6338
9 1EPB REA 0.012 0.42444 6.70732
10 1VKF CIT 0.04372 0.41131 6.91489
11 3LGS SAH 0.04835 0.40044 7.49064
12 2ZMF CMP 0.0219 0.40543 9.52381
13 4EE7 PIS 0.009099 0.44111 9.53947
14 5KY9 GDP 0.03746 0.40301 11.5493
15 2VFT SOR 0.02031 0.42375 12.0853
16 2OMN IPH 0.03019 0.40039 14.7465
17 2YIP YIO 0.01138 0.44694 15.942
18 5KEW 6SB 0.04952 0.40666 15.9574
19 1RZX ACE VAL LYS GLU SER LEU VAL 0.03666 0.41943 20.4082
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