Project name: Ag_metK

Chain sequence(s)	A: MNEYLFTSESVSEGHPDKIADQISDALLDAIIKQDIKARVACETYVKTGMVLIGGEITTTAWVDVEEITRNTINNIGYINSETGFDANSCAILSAIGKQSPDINQGVDRSDPLKQGAGDQGIIFGYATNETEVLMPAPITYAHLLVKKQSELRKKNILSWLRPDAKSQVTFKYKNGNVIGIDTVVFSTQHKESISQNILKEAVMEEIIKPVLPKKWLTKDTKFFINPTGRFVIGGPMGDCGLTGRKIIVDTYGGMSRHGGGAFSGKDPSKVDRSAAYAARYVAKNIVAAGLADRCEIQLSYAIGIAEPTSIMIETFRTGKLSNKVLINLVRDIFDLRPYGLIEMLNLLQPIYLKTSVYGHFGREEFPWEKLDKVDALSQ; B: MNEYLFTSESVSEGHPDKIADQISDALLDAIIKQDIKARVACETYVKTGMVLIGGEITTTAWVDVEEITRNTINNIGYINSETGFDANSCAILSAIGKQSPDINQGVDRSDPLKQGAGDQGIIFGYATNETEVLMPAPITYAHLLVKKQSELRKKNILSWLRPDAKSQVTFKYKNGNVIGIDTVVFSTQHKESISQNILKEAVMEEIIKPVLPKKWLTKDTKFFINPTGRFVIGGPMGDCGLTGRKIIVDTYGGMSRHGGGAFSGKDPSKVDRSAAYAARYVAKNIVAAGLADRCEIQLSYAIGIAEPTSIMIETFRTGKLSNKVLINLVRDIFDLRPYGLIEMLNLLQPIYLKTSVYGHFGREEFPWEKLDKVDALSQ
Selected Chain(s)	A,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:05)

• Minimal score value: -3.2758
• Maximal score value: 0.9176
• Average score: -0.6152
• Total score value: -466.2962

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	-0.2564
2	N	A	-2.1218
3	E	A	-2.0824
4	Y	A	-1.0802
5	L	A	-0.1236
6	F	A	0.0000
7	T	A	0.0000
8	S	A	0.0000
9	E	A	-0.2738
10	S	A	0.0000
11	V	A	0.0000
12	S	A	0.0000
13	E	A	0.0000
14	G	A	0.0000
15	H	A	0.0000
16	P	A	0.0000
17	D	A	0.0000
18	K	A	0.0000
19	I	A	0.0000
20	A	A	0.0000
21	D	A	0.0000
22	Q	A	0.0000
23	I	A	0.0000
24	S	A	0.0000
25	D	A	0.0000
26	A	A	0.0000
27	L	A	0.0000
28	L	A	0.0000
29	D	A	-0.6853
30	A	A	-0.6560
31	I	A	0.0000
32	I	A	0.0000
33	K	A	-2.0029
34	Q	A	-1.6530
35	D	A	0.0000
36	I	A	0.1006
37	K	A	-1.0745
38	A	A	0.0000
39	R	A	-0.7458
40	V	A	0.0000
41	A	A	-0.3386
42	C	A	0.0000
43	E	A	0.0000
44	T	A	0.0000
45	Y	A	0.0000
46	V	A	0.0000
47	K	A	0.0000
48	T	A	-0.1441
49	G	A	-0.2791
50	M	A	0.1941
51	V	A	0.0000
52	L	A	0.0000
53	I	A	0.0000
54	G	A	0.0000
55	G	A	0.0000
56	E	A	0.0000
57	I	A	-0.4243
58	T	A	-0.8108
59	T	A	-0.4211
60	T	A	-0.0192
61	A	A	-0.1120
62	W	A	0.9176
63	V	A	-0.1336
64	D	A	-1.4672
65	V	A	-1.0960
66	E	A	-2.4419
67	E	A	-3.0204
68	I	A	-1.5894
69	T	A	0.0000
70	R	A	-2.0131
71	N	A	-2.0944
72	T	A	0.0000
73	I	A	0.0000
74	N	A	-1.0620
75	N	A	-1.6267
76	I	A	0.0000
77	G	A	-0.4395
78	Y	A	0.0000
79	I	A	0.4498
80	N	A	-0.6414
81	S	A	-1.2355
82	E	A	-2.1355
83	T	A	-0.8214
84	G	A	-0.5118
85	F	A	0.0000
86	D	A	-0.7770
87	A	A	0.0000
88	N	A	-1.6149
89	S	A	-0.8063
90	C	A	0.0000
91	A	A	-0.0988
92	I	A	0.1039
93	L	A	0.7706
94	S	A	0.2727
95	A	A	0.3542
96	I	A	0.3093
97	G	A	-0.7048
98	K	A	-1.7631
99	Q	A	-1.1287
100	S	A	0.0000
101	P	A	-0.7951
102	D	A	0.0000
103	I	A	-0.6904
104	N	A	-1.7296
105	Q	A	-2.2134
106	G	A	0.0000
107	V	A	0.0000
108	D	A	-3.2758
109	R	A	-3.1326
110	S	A	-1.8149
111	D	A	-1.8445
112	P	A	-1.4436
113	L	A	-1.0790
114	K	A	-2.6048
115	Q	A	-2.0911
116	G	A	0.0000
117	A	A	0.0000
118	G	A	-0.7480
119	D	A	-0.5776
120	Q	A	0.0000
121	G	A	0.0000
122	I	A	0.0000
123	I	A	0.0000
124	F	A	0.0000
125	G	A	0.0000
126	Y	A	0.0000
127	A	A	0.0000
128	T	A	0.0000
129	N	A	-2.1703
130	E	A	-1.8058
131	T	A	-1.3045
132	E	A	-1.9553
133	V	A	-1.0973
134	L	A	-1.0153
135	M	A	0.0000
136	P	A	0.0000
137	A	A	0.0000
138	P	A	0.0000
139	I	A	0.0000
140	T	A	0.2142
141	Y	A	0.1893
142	A	A	0.0000
143	H	A	0.0000
144	L	A	0.0981
145	L	A	0.0000
146	V	A	0.0000
147	K	A	-1.3104
148	K	A	-1.3845
149	Q	A	0.0000
150	S	A	0.0000
151	E	A	-2.4204
152	L	A	0.0000
153	R	A	0.0000
154	K	A	-2.8679
155	K	A	-2.7303
156	N	A	-1.8740
157	I	A	0.1505
158	L	A	-0.1720
159	S	A	-0.6279
160	W	A	-0.4471
161	L	A	0.0000
162	R	A	0.0000
163	P	A	0.0000
164	D	A	0.0000
165	A	A	0.0000
166	K	A	-0.3330
167	S	A	0.0000
168	Q	A	0.0000
169	V	A	0.0000
170	T	A	0.0000
171	F	A	0.0000
172	K	A	-0.7433
173	Y	A	0.0000
174	K	A	-2.0377
175	N	A	-2.2464
176	G	A	-1.8974
177	N	A	-1.9310
178	V	A	0.0000
179	I	A	0.0212
180	G	A	0.0000
181	I	A	0.0000
182	D	A	-1.2008
183	T	A	0.0000
184	V	A	0.0000
185	V	A	0.0000
186	F	A	0.0000
187	S	A	-0.2144
188	T	A	0.0000
189	Q	A	0.0000
190	H	A	0.0000
191	K	A	-2.0984
192	E	A	-2.5884
193	S	A	-1.3757
194	I	A	-0.7911
195	S	A	-1.0766
196	Q	A	-1.9518
197	N	A	-1.7041
198	I	A	0.0822
199	L	A	0.0000
200	K	A	-2.1795
201	E	A	-2.6876
202	A	A	-1.7420
203	V	A	0.0000
204	M	A	-1.7849
205	E	A	-3.0011
206	E	A	-1.9005
207	I	A	0.0000
208	I	A	0.0000
209	K	A	-1.7772
210	P	A	-1.3079
211	V	A	0.0000
212	L	A	0.0000
213	P	A	-1.4448
214	K	A	-2.5836
215	K	A	-2.2319
216	W	A	-0.9842
217	L	A	-1.7175
218	T	A	-2.2185
219	K	A	-2.8533
220	D	A	-3.0495
221	T	A	0.0000
222	K	A	-2.1700
223	F	A	-0.4946
224	F	A	0.0686
225	I	A	-0.5573
226	N	A	0.0000
227	P	A	-0.2554
228	T	A	-0.5702
229	G	A	-1.2913
230	R	A	-1.7624
231	F	A	-0.7411
232	V	A	0.0000
233	I	A	-0.4048
234	G	A	0.0000
235	G	A	0.0000
236	P	A	0.0000
237	M	A	-0.1413
238	G	A	0.0000
239	D	A	-1.1345
240	C	A	0.0000
241	G	A	0.0000
242	L	A	0.0000
243	T	A	0.0000
244	G	A	0.0000
245	R	A	0.0000
246	K	A	-0.2694
247	I	A	0.0000
248	I	A	0.0000
249	V	A	0.0000
250	D	A	0.0000
251	T	A	0.0000
252	Y	A	0.0000
253	G	A	0.0000
254	G	A	0.0000
255	M	A	-0.0029
256	S	A	0.0000
257	R	A	-0.3103
258	H	A	0.0000
259	G	A	0.0000
260	G	A	-0.2825
261	G	A	-0.3150
262	A	A	0.0000
263	F	A	0.0000
264	S	A	0.0000
265	G	A	0.0000
266	K	A	0.0000
267	D	A	0.0000
268	P	A	0.0000
269	S	A	-0.4267
270	K	A	-0.5899
271	V	A	0.0000
272	D	A	-0.5516
273	R	A	0.0000
274	S	A	0.0000
275	A	A	0.0000
276	A	A	0.0000
277	Y	A	0.0000
278	A	A	0.0000
279	A	A	0.0000
280	R	A	0.0000
281	Y	A	0.0000
282	V	A	0.0000
283	A	A	0.0000
284	K	A	0.0000
285	N	A	0.0000
286	I	A	0.0000
287	V	A	0.0000
288	A	A	-0.7519
289	A	A	-0.5474
290	G	A	-0.9376
291	L	A	0.0000
292	A	A	0.0000
293	D	A	-2.2246
294	R	A	-1.3883
295	C	A	0.0000
296	E	A	0.0000
297	I	A	0.0000
298	Q	A	0.0000
299	L	A	0.0000
300	S	A	0.0000
301	Y	A	0.0000
302	A	A	0.0000
303	I	A	0.0000
304	G	A	0.0000
305	I	A	-0.6752
306	A	A	0.0000
307	E	A	-2.2745
308	P	A	-1.0168
309	T	A	-0.6121
310	S	A	0.0000
311	I	A	-0.1455
312	M	A	0.0000
313	I	A	0.0000
314	E	A	-1.0678
315	T	A	0.0000
316	F	A	-0.3863
317	R	A	-1.9900
318	T	A	-1.6112
319	G	A	-1.7577
320	K	A	-2.0920
321	L	A	-0.6826
322	S	A	-0.9810
323	N	A	-1.6590
324	K	A	-1.7971
325	V	A	0.1087
326	L	A	0.0000
327	I	A	-1.1828
328	N	A	-1.8105
329	L	A	-1.3124
330	V	A	0.0000
331	R	A	-2.7902
332	D	A	-2.7780
333	I	A	-1.3579
334	F	A	0.0000
335	D	A	-1.7611
336	L	A	0.0000
337	R	A	-1.4473
338	P	A	0.0000
339	Y	A	-0.5860
340	G	A	0.0000
341	L	A	0.0000
342	I	A	-0.9514
343	E	A	-1.9630
344	M	A	-1.0339
345	L	A	0.0000
346	N	A	-1.7907
347	L	A	0.0000
348	L	A	-0.3635
349	Q	A	-0.6538
350	P	A	-0.7192
351	I	A	-0.5516
352	Y	A	0.0000
353	L	A	-0.1587
354	K	A	-1.3836
355	T	A	0.0000
356	S	A	0.0000
357	V	A	-0.2011
358	Y	A	-0.1950
359	G	A	0.0000
360	H	A	0.0000
361	F	A	0.0000
362	G	A	-0.9447
363	R	A	-1.8518
364	E	A	-3.0687
365	E	A	-3.1821
366	F	A	0.0000
367	P	A	-1.5274
368	W	A	0.0000
369	E	A	0.0000
370	K	A	-2.4262
371	L	A	-1.2164
372	D	A	-2.2523
373	K	A	-1.5241
374	V	A	-1.3535
375	D	A	-2.3148
376	A	A	-1.6396
377	L	A	0.0000
378	S	A	-1.3589
379	Q	A	-1.6444
1	M	B	-0.4878
2	N	B	-2.6156
3	E	B	-2.9789
4	Y	B	-1.4904
5	L	B	-0.2327
6	F	B	0.0000
7	T	B	0.0000
8	S	B	0.0000
9	E	B	-0.2751
10	S	B	0.0000
11	V	B	0.0000
12	S	B	0.0000
13	E	B	0.0000
14	G	B	0.0000
15	H	B	0.0000
16	P	B	0.0000
17	D	B	0.0000
18	K	B	0.0000
19	I	B	0.0000
20	A	B	0.0000
21	D	B	0.0000
22	Q	B	0.0000
23	I	B	0.0000
24	S	B	0.0000
25	D	B	0.0000
26	A	B	0.0000
27	L	B	0.0000
28	L	B	0.0000
29	D	B	0.0000
30	A	B	-0.5844
31	I	B	0.0000
32	I	B	0.0000
33	K	B	-2.0187
34	Q	B	-1.7361
35	D	B	-0.9637
36	I	B	-0.0437
37	K	B	-1.1619
38	A	B	0.0000
39	R	B	-0.7645
40	V	B	0.0000
41	A	B	-0.4111
42	C	B	0.0000
43	E	B	0.0000
44	T	B	0.0000
45	Y	B	0.0000
46	V	B	0.0000
47	K	B	0.0000
48	T	B	-0.1334
49	G	B	-0.2749
50	M	B	0.1817
51	V	B	0.0000
52	L	B	0.0000
53	I	B	0.0000
54	G	B	0.0000
55	G	B	0.0000
56	E	B	0.0000
57	I	B	-0.4441
58	T	B	-0.8263
59	T	B	-0.4720
60	T	B	-0.0786
61	A	B	-0.0781
62	W	B	0.9046
63	V	B	-0.1200
64	D	B	-1.4432
65	V	B	-1.1041
66	E	B	-2.4881
67	E	B	-3.0673
68	I	B	-1.6167
69	T	B	0.0000
70	R	B	-2.1368
71	N	B	-2.2192
72	T	B	0.0000
73	I	B	0.0000
74	N	B	-1.3032
75	N	B	-1.7394
76	I	B	0.0000
77	G	B	-0.6492
78	Y	B	0.0000
79	I	B	-0.2272
80	N	B	-0.9945
81	S	B	-1.3829
82	E	B	-2.2341
83	T	B	0.0000
84	G	B	-0.6027
85	F	B	0.0000
86	D	B	-1.0315
87	A	B	0.0000
88	N	B	-1.7763
89	S	B	-0.8926
90	C	B	0.0000
91	A	B	-0.1234
92	I	B	0.0539
93	L	B	0.6848
94	S	B	0.2306
95	A	B	0.3358
96	I	B	0.2947
97	G	B	-0.7189
98	K	B	-1.7791
99	Q	B	-1.1279
100	S	B	0.0000
101	P	B	-0.7390
102	D	B	0.0000
103	I	B	-0.6736
104	N	B	-1.5379
105	Q	B	-2.1686
106	G	B	0.0000
107	V	B	0.0000
108	D	B	-3.1280
109	R	B	-2.9094
110	S	B	-1.7099
111	D	B	-1.7754
112	P	B	-1.3897
113	L	B	-1.0547
114	K	B	-2.5728
115	Q	B	-2.0525
116	G	B	0.0000
117	A	B	0.0000
118	G	B	-0.7773
119	D	B	-0.6682
120	Q	B	0.0000
121	G	B	0.0000
122	I	B	0.0000
123	I	B	0.0000
124	F	B	0.0000
125	G	B	0.0000
126	Y	B	0.0000
127	A	B	0.0000
128	T	B	0.0000
129	N	B	-2.2451
130	E	B	-1.8875
131	T	B	0.0000
132	E	B	-1.9553
133	V	B	-1.0788
134	L	B	-1.0460
135	M	B	0.0000
136	P	B	0.0000
137	A	B	0.0000
138	P	B	0.0000
139	I	B	0.0000
140	T	B	0.2657
141	Y	B	0.2370
142	A	B	0.0000
143	H	B	0.0000
144	L	B	0.2340
145	L	B	0.0000
146	V	B	0.0000
147	K	B	-1.1096
148	K	B	-1.3083
149	Q	B	0.0000
150	S	B	0.0000
151	E	B	-2.4987
152	L	B	0.0000
153	R	B	0.0000
154	K	B	-2.9316
155	K	B	-2.7693
156	N	B	-1.8874
157	I	B	0.1600
158	L	B	-0.1788
159	S	B	-0.6144
160	W	B	-0.4159
161	L	B	0.0000
162	R	B	0.0000
163	P	B	0.0000
164	D	B	0.0000
165	A	B	0.0000
166	K	B	-0.3233
167	S	B	0.0000
168	Q	B	0.0000
169	V	B	0.0000
170	T	B	0.0000
171	F	B	0.0000
172	K	B	-0.7745
173	Y	B	0.0000
174	K	B	-2.3218
175	N	B	-2.4853
176	G	B	-2.1697
177	N	B	-1.9674
178	V	B	-0.4981
179	I	B	0.1873
180	G	B	0.0000
181	I	B	0.0000
182	D	B	-1.1765
183	T	B	0.0000
184	V	B	0.0000
185	V	B	0.0000
186	F	B	0.0000
187	S	B	-0.2073
188	T	B	0.0000
189	Q	B	0.0000
190	H	B	0.0000
191	K	B	-1.9676
192	E	B	-2.4737
193	S	B	-1.2880
194	I	B	-0.6048
195	S	B	-0.7650
196	Q	B	-1.4002
197	N	B	-1.4951
198	I	B	0.1655
199	L	B	0.0000
200	K	B	-1.9508
201	E	B	-2.5887
202	A	B	-1.6639
203	V	B	0.0000
204	M	B	-1.7230
205	E	B	-2.9568
206	E	B	-1.9005
207	I	B	0.0000
208	I	B	0.0000
209	K	B	-1.7570
210	P	B	-1.3217
211	V	B	0.0000
212	L	B	0.0000
213	P	B	-1.4700
214	K	B	-2.5999
215	K	B	-2.2284
216	W	B	-0.9357
217	L	B	-1.7128
218	T	B	-2.2237
219	K	B	-2.8515
220	D	B	-3.0446
221	T	B	0.0000
222	K	B	-2.1889
223	F	B	-0.5162
224	F	B	-0.0232
225	I	B	0.0000
226	N	B	0.0000
227	P	B	-0.1612
228	T	B	-0.4806
229	G	B	-0.9563
230	R	B	-1.2116
231	F	B	-0.4655
232	V	B	0.0000
233	I	B	-0.3324
234	G	B	0.0000
235	G	B	0.0000
236	P	B	0.0000
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246	K	B	-0.2753
247	I	B	0.0000
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261	G	B	-0.3071
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270	K	B	-0.6794
271	V	B	0.0000
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273	R	B	0.0000
274	S	B	0.0000
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276	A	B	0.0000
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278	A	B	0.0000
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283	A	B	0.0000
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285	N	B	0.0000
286	I	B	0.0000
287	V	B	0.0000
288	A	B	-0.7649
289	A	B	-0.5394
290	G	B	-0.9627
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292	A	B	0.0000
293	D	B	-2.4249
294	R	B	-1.7388
295	C	B	0.0000
296	E	B	0.0000
297	I	B	0.0000
298	Q	B	0.0000
299	L	B	0.0000
300	S	B	0.0000
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302	A	B	0.0000
303	I	B	0.0000
304	G	B	-1.0066
305	I	B	-0.7740
306	A	B	-1.4077
307	E	B	-2.2998
308	P	B	-1.0351
309	T	B	-0.6277
310	S	B	0.0000
311	I	B	-0.1973
312	M	B	0.0000
313	I	B	0.0000
314	E	B	-1.1514
315	T	B	0.0000
316	F	B	-0.8246
317	R	B	-2.2006
318	T	B	-1.7929
319	G	B	-1.8634
320	K	B	-2.0837
321	L	B	-0.6430
322	S	B	-0.9045
323	N	B	-1.4934
324	K	B	-1.5182
325	V	B	0.0854
326	L	B	0.0000
327	I	B	-1.2767
328	N	B	-2.0443
329	L	B	-1.4259
330	V	B	0.0000
331	R	B	-2.8956
332	D	B	-2.8479
333	I	B	-1.3950
334	F	B	0.0000
335	D	B	-1.7593
336	L	B	0.0000
337	R	B	-1.4578
338	P	B	0.0000
339	Y	B	-0.5875
340	G	B	0.0000
341	L	B	0.0000
342	I	B	-0.9570
343	E	B	-1.9702
344	M	B	-1.0416
345	L	B	0.0000
346	N	B	-1.8028
347	L	B	0.0000
348	L	B	-0.4052
349	Q	B	-0.6586
350	P	B	-0.6195
351	I	B	-0.4677
352	Y	B	0.0000
353	L	B	-0.1382
354	K	B	-1.3108
355	T	B	0.0000
356	S	B	0.0000
357	V	B	-0.1705
358	Y	B	-0.1275
359	G	B	0.0000
360	H	B	0.0000
361	F	B	0.0000
362	G	B	-0.9167
363	R	B	-1.8000
364	E	B	-3.0328
365	E	B	-3.1512
366	F	B	0.0000
367	P	B	-1.5092
368	W	B	0.0000
369	E	B	0.0000
370	K	B	-2.3713
371	L	B	-1.1658
372	D	B	-2.2248
373	K	B	-1.5097
374	V	B	-1.3295
375	D	B	-2.3059
376	A	B	-1.6374
377	L	B	0.0000
378	S	B	-1.3561
379	Q	B	-1.6426