Project name: 5cb3eeef96d390e

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:21:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:21:30)

• Minimal score value: -3.7287
• Maximal score value: 1.4465
• Average score: -0.7549
• Total score value: -1143.6347

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
24	G	A	-1.5418
25	S	A	-1.0900
26	I	A	0.0000
27	G	A	0.0000
28	A	A	-0.7095
29	A	A	0.0000
30	S	A	0.0000
31	M	A	0.0000
32	E	A	-1.0678
33	F	A	0.0000
34	C	A	0.0000
35	F	A	0.0000
36	D	A	-1.0032
37	V	A	0.0000
38	F	A	0.0000
39	K	A	-1.5366
40	E	A	-0.9245
41	L	A	0.0000
42	K	A	-0.9361
43	V	A	0.5932
44	H	A	-0.9275
45	H	A	-1.2639
46	A	A	-1.4401
47	N	A	-2.3318
48	E	A	-2.7181
49	N	A	-1.7474
50	I	A	0.0000
51	F	A	0.0000
52	Y	A	0.0000
53	C	A	0.0000
54	P	A	0.0000
55	I	A	0.0000
56	A	A	0.0000
57	I	A	0.0000
58	M	A	0.0000
59	S	A	0.0000
60	A	A	0.0000
61	L	A	0.0000
62	A	A	0.0000
63	M	A	0.0000
64	V	A	0.0000
65	Y	A	0.0000
66	L	A	-0.3153
67	G	A	0.0000
68	A	A	0.0000
69	K	A	-2.6851
70	D	A	-2.8351
71	S	A	-1.7075
72	T	A	0.0000
73	R	A	-1.8445
74	T	A	-1.7675
75	Q	A	-1.3851
76	I	A	0.0000
77	N	A	-1.9994
78	K	A	-2.3522
79	V	A	-1.2384
80	V	A	0.0000
81	R	A	-2.1232
82	F	A	0.0000
83	D	A	-3.3916
83A	K	A	-3.0063
84	L	A	0.0000
85	P	A	-1.2867
86	G	A	-1.0652
87	F	A	0.0000
87A	G	A	-1.8143
87B	D	A	-1.9756
87C	S	A	-1.1155
87D	I	A	-0.6937
87E	E	A	0.0000
87F	A	A	-0.8911
87G	Q	A	-1.0722
87H	C	A	0.0000
87I	G	A	-1.5931
88	T	A	-0.6351
89	S	A	-0.1008
90	V	A	0.7399
91	N	A	-0.7398
92	V	A	0.0000
93	H	A	0.0000
94	S	A	-0.8810
95	S	A	-0.9630
96	L	A	0.0000
97	R	A	-1.2489
98	D	A	-2.2828
99	I	A	0.0000
100	L	A	0.0000
101	N	A	-1.6039
102	Q	A	-1.6087
103	I	A	0.0000
104	T	A	0.0000
105	K	A	-2.0463
106	P	A	-1.8357
107	N	A	-1.3449
108	D	A	-1.0247
109A	V	A	0.0000
110	Y	A	0.0000
111	S	A	-0.4436
112	F	A	0.0000
113	S	A	-0.2150
114	L	A	0.0026
115	A	A	0.0000
116	S	A	0.0000
117	R	A	0.0000
118	L	A	0.0000
119	Y	A	0.0000
120	A	A	0.0000
121	E	A	0.0000
122	E	A	-3.0197
123	R	A	-2.8966
124	Y	A	-1.6545
125	P	A	-0.8655
126	I	A	-0.3849
127	L	A	-0.1891
128	P	A	-0.9098
129	E	A	-2.1426
130	Y	A	0.0000
131	L	A	-1.2488
132	Q	A	-2.3780
133	C	A	0.0000
134	V	A	0.0000
135	K	A	-3.0740
136	E	A	-2.6198
137	L	A	0.0000
138	Y	A	0.0000
139	R	A	-1.4547
140	G	A	-0.8181
141	G	A	0.0000
142	L	A	0.0000
143	E	A	-0.5921
144	P	A	-1.2965
145	I	A	0.0000
146	N	A	-2.0532
147	F	A	0.0000
148	Q	A	-2.0460
149	T	A	-1.1412
149A	A	A	-1.2938
150	A	A	-2.0867
151	D	A	-2.5473
152	Q	A	0.0000
153	A	A	0.0000
154	R	A	-1.6624
155	E	A	-1.7307
156	L	A	-1.0662
157	I	A	0.0000
158	N	A	0.0000
159	S	A	-0.9652
160	W	A	0.0000
161	V	A	0.0000
162	E	A	-1.0757
163	S	A	0.0000
164	Q	A	0.0000
165	T	A	0.0000
166	N	A	-0.4940
167	G	A	-0.6653
168	I	A	-0.6585
169	I	A	0.0000
170	R	A	-2.2147
171	N	A	-1.5465
172	V	A	0.0000
173	L	A	0.0000
174	Q	A	-1.4330
175	P	A	-1.3538
176	S	A	-1.2185
177	S	A	-1.0363
178	V	A	0.0000
179	D	A	-2.6671
179A	S	A	-2.0656
179B	Q	A	-1.9551
180	T	A	0.0000
181	A	A	0.0000
182	M	A	0.0000
183	V	A	0.0000
184	L	A	0.0000
185	V	A	0.0000
186	N	A	0.0000
187	A	A	0.0000
188	I	A	0.0000
189	V	A	0.0000
190	F	A	0.0000
191	K	A	0.0000
192	G	A	0.0000
193	L	A	0.0000
194	W	A	0.0000
195	E	A	-1.7551
196	K	A	-1.6631
197	A	A	0.0000
198	F	A	0.0000
199	K	A	-2.1486
200	D	A	-3.0586
201	E	A	-3.1670
202	D	A	-2.5475
203	T	A	-2.1199
204	Q	A	-1.5904
205	A	A	-0.7060
206	M	A	-0.6023
207	P	A	-1.0245
208	F	A	0.0000
209	R	A	-1.8571
210	V	A	-1.3476
211	T	A	-2.2383
212	E	A	-3.0708
213	Q	A	-2.7356
214	E	A	-2.6649
215	S	A	-1.9879
216	K	A	-1.4250
217	P	A	-0.8841
218	V	A	-0.9165
219	Q	A	-1.3063
220	M	A	0.0000
221	M	A	0.0000
222	Y	A	-0.9153
223	Q	A	-0.2049
224	I	A	0.0000
225	G	A	-0.2397
226	L	A	-0.3449
227	F	A	0.0000
228	R	A	-2.6701
229	V	A	0.0000
230	A	A	0.0000
231	S	A	-0.7332
232	M	A	-0.8567
233	A	A	-1.1430
234	S	A	-1.0240
235	E	A	-1.9816
236	K	A	-3.0151
237	M	A	0.0000
238	K	A	-1.1836
239	I	A	0.0000
240	L	A	0.0000
241	E	A	0.0000
242	L	A	0.0000
243	P	A	-0.4989
244	F	A	0.0000
245	A	A	0.0000
245A	S	A	-0.6413
246	G	A	-0.2278
247	T	A	0.1951
248	M	A	0.0000
249	S	A	0.0000
250	M	A	0.0000
251	L	A	0.0000
252	V	A	0.0000
253	L	A	0.0000
254	L	A	0.0000
255	P	A	0.0000
256	D	A	-3.3319
256A	E	A	-3.0584
257	V	A	-1.8437
258	S	A	-1.9817
259	G	A	-2.4492
260	L	A	0.0000
261	E	A	-2.4538
262	Q	A	-2.3347
263	L	A	0.0000
264	E	A	0.0000
265	S	A	-1.0457
266	I	A	-0.2377
267	I	A	0.0000
268	N	A	-1.2720
269	F	A	-1.2852
270	E	A	-2.5761
271	K	A	-1.9583
272	L	A	0.0000
273	T	A	-1.7965
274	E	A	-2.6155
275	W	A	0.0000
276	T	A	-1.1159
277	S	A	-1.2201
278	S	A	-1.3252
279	N	A	-1.5813
280	V	A	-0.8930
281	M	A	0.0000
281A	E	A	-3.0728
281B	E	A	-3.2180
282	R	A	-2.1778
283	K	A	-1.7752
284	I	A	0.0000
285	K	A	-0.8134
286	V	A	0.0000
287	Y	A	-0.4607
288	L	A	0.0000
289	P	A	0.0000
290	R	A	-1.4863
291	M	A	0.0000
292	K	A	-2.5294
293	M	A	0.0000
294	E	A	-2.7319
295	E	A	-1.8361
296	K	A	-1.8135
297	Y	A	0.0000
298	N	A	-1.5853
299	L	A	0.0000
300	T	A	-0.4795
301	S	A	-0.4737
302	V	A	0.0000
303	L	A	0.0000
304	M	A	0.3284
305	A	A	0.1425
306	M	A	-0.2245
307	G	A	-0.2069
308	I	A	0.0000
309	T	A	-0.1278
310	D	A	-0.7454
311	V	A	0.0000
312	F	A	0.0000
313	S	A	-0.5176
314	S	A	-0.8467
315	S	A	-0.8176
316	A	A	-1.3697
317	N	A	-1.8790
318	L	A	0.0000
319	S	A	-1.1584
320	G	A	-0.6281
321	I	A	0.0000
322	S	A	0.0000
323	S	A	-0.7500
324	A	A	-1.3446
325	E	A	-2.1494
326	S	A	-1.3348
327	L	A	0.0000
328	K	A	-0.9327
329	I	A	0.0000
330	S	A	-0.4731
331	Q	A	-0.6179
332	A	A	0.0000
333	V	A	0.0000
334	H	A	0.0000
335	A	A	0.0000
336	A	A	0.0000
337	H	A	-1.4289
338	A	A	0.0000
339	E	A	-1.6604
340	I	A	0.0000
341	N	A	-1.3345
342	E	A	-1.1525
343	A	A	0.0000
344	G	A	0.0000
345	R	A	-2.0004
346	E	A	-2.1195
347	V	A	-0.6853
348	V	A	-0.2783
349	G	A	-0.8178
350	S	A	-0.5891
351	A	A	-0.6635
352	E	A	-1.3934
353	A	A	-0.5147
354	G	A	-0.2930
355	V	A	0.8566
356	D	A	-0.1898
357	A	A	0.0398
358	A	A	0.4052
359	S	A	0.0025
360	V	A	-0.3875
361	S	A	-0.7655
363	E	A	-1.2419
363A	E	A	-1.2529
364	F	A	0.0000
365	R	A	-1.0405
366	A	A	0.0000
367	D	A	0.0000
368	H	A	0.0000
369	P	A	0.0000
370	F	A	0.0000
371	L	A	0.0000
372	F	A	0.0000
373	C	A	0.0000
374	I	A	0.0000
375	K	A	0.0244
376	H	A	0.0000
377	I	A	1.1550
378	A	A	0.5064
379	T	A	0.0313
380	N	A	-0.2888
381	A	A	0.0000
382	V	A	0.0000
383	L	A	0.0000
384	F	A	0.0000
385	F	A	0.0000
386	G	A	0.0000
387	R	A	0.0000
388	C	A	0.0000
389	V	A	0.0000
390	S	A	-0.9446
391	P	A	-0.8776
24	G	B	-1.5164
25	S	B	-0.8631
26	I	B	0.0000
27	G	B	0.0000
28	A	B	-1.0462
29	A	B	0.0000
30	S	B	0.0000
31	M	B	0.0000
32	E	B	-2.3111
33	F	B	0.0000
34	C	B	0.0000
35	F	B	0.0000
36	D	B	-2.3203
37	V	B	0.0000
38	F	B	0.0000
39	K	B	-1.2367
40	E	B	-0.8295
41	L	B	0.0000
42	K	B	-0.2889
43	V	B	0.8380
44	H	B	-0.7248
45	H	B	0.0000
46	A	B	-0.6119
47	N	B	-1.1208
48	E	B	0.0000
49	N	B	-0.5250
50	I	B	0.0000
51	F	B	0.0000
52	Y	B	0.0000
53	C	B	0.0000
54	P	B	0.0000
55	I	B	0.0000
56	A	B	0.0000
57	I	B	0.0000
58	M	B	0.0000
59	S	B	0.0000
60	A	B	0.0000
61	L	B	0.0000
62	A	B	0.0000
63	M	B	0.0000
64	V	B	0.0000
65	Y	B	0.0000
66	L	B	0.1294
67	G	B	0.0000
68	A	B	0.0000
69	K	B	-2.7197
70	D	B	-2.9480
71	S	B	-1.8450
72	T	B	0.0000
73	R	B	-2.1663
74	T	B	-2.0594
75	Q	B	-1.6015
76	I	B	0.0000
77	N	B	-2.3887
78	K	B	-2.7542
79	V	B	-1.5767
80	V	B	0.0000
81	R	B	-3.3431
82	F	B	0.0000
83	D	B	-3.3702
83A	K	B	-3.3794
84	L	B	0.0000
85	P	B	-0.7974
86	G	B	-0.1147
87	F	B	-0.1972
92	V	B	1.4465
93	H	B	0.0000
94	S	B	-0.4466
95	S	B	-0.5723
96	L	B	0.0000
97	R	B	-1.4485
98	D	B	-2.5618
99	I	B	0.0000
100	L	B	0.0000
101	N	B	-2.8367
102	Q	B	-2.1727
103	I	B	0.0000
104	T	B	-1.5351
105	K	B	-2.3939
106	P	B	-1.5792
107	N	B	-0.9943
108	D	B	-0.9028
109A	V	B	0.0000
110	Y	B	0.0000
111	S	B	-0.3822
112	F	B	0.0000
113	S	B	-0.1751
114	L	B	-0.1027
115	A	B	0.0000
116	S	B	0.0000
117	R	B	0.0000
118	L	B	0.0000
119	Y	B	0.0000
120	A	B	0.0000
121	E	B	0.0000
122	E	B	-2.9248
123	R	B	-2.7572
124	Y	B	-1.5881
125	P	B	-0.8590
126	I	B	-0.4089
127	L	B	-0.4482
128	P	B	-1.1142
129	E	B	-2.0247
130	Y	B	0.0000
131	L	B	-1.2750
132	Q	B	-2.5071
133	C	B	-1.7593
134	V	B	0.0000
135	K	B	-3.2416
136	E	B	-2.9619
137	L	B	0.0000
138	Y	B	0.0000
139	R	B	-2.8565
140	G	B	-1.3873
141	G	B	0.0000
142	L	B	-0.3017
143	E	B	0.0000
144	P	B	-1.2480
145	I	B	0.0000
146	N	B	-2.1252
147	F	B	0.0000
148	Q	B	-1.9962
149	T	B	-1.1666
149A	A	B	-1.3060
150	A	B	-2.1119
151	D	B	-2.4735
152	Q	B	-1.7020
153	A	B	0.0000
154	R	B	-1.5594
155	E	B	-1.4329
156	L	B	-1.1592
157	I	B	0.0000
158	N	B	-1.1489
159	S	B	-1.2324
160	W	B	0.0000
161	V	B	0.0000
162	E	B	-1.5810
163	S	B	0.0000
164	Q	B	0.0000
165	T	B	0.0000
166	N	B	-0.7098
167	G	B	-0.9563
168	I	B	-0.7234
169	I	B	0.0000
170	R	B	-2.3502
171	N	B	-1.6409
172	V	B	0.0000
173	L	B	0.0000
174	Q	B	-0.7220
175	P	B	-1.0710
176	S	B	-1.0956
177	S	B	-0.9350
178	V	B	0.0000
179	D	B	-2.7208
179A	S	B	-2.0964
179B	Q	B	-2.0076
180	T	B	0.0000
181	A	B	0.0000
182	M	B	0.0000
183	V	B	0.0000
184	L	B	0.0000
185	V	B	0.0000
186	N	B	0.0000
187	A	B	0.0000
188	I	B	0.0000
189	V	B	0.0000
190	F	B	0.0000
191	K	B	0.0000
192	G	B	0.0000
193	L	B	0.0000
194	W	B	0.0000
195	E	B	-1.4800
196	K	B	-1.0818
197	A	B	0.0000
198	F	B	0.0000
199	K	B	-2.4956
200	D	B	-3.7287
201	E	B	-3.6653
202	D	B	-3.2246
203	T	B	-2.7653
204	Q	B	-2.3573
205	A	B	-1.1067
206	M	B	-0.9089
207	P	B	-0.9991
208	F	B	0.0000
209	R	B	-2.2085
210	V	B	-1.2492
211	T	B	-1.7150
212	E	B	-2.8998
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