Project name: goli

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG; C: QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; L: EIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: EIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
Selected Chain(s)	H,C,L,D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[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                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:18:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:33)

• Minimal score value: -4.1483
• Maximal score value: 1.8302
• Average score: -0.7751
• Total score value: -1037.0424

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	Q	H	-1.0096
2	V	H	0.0792
3	Q	H	-0.5834
4	L	H	0.0000
5	V	H	0.5829
6	E	H	0.0000
7	S	H	-0.5679
8	G	H	-0.9519
9	G	H	-0.5737
10	G	H	0.0284
11	V	H	0.5436
12	V	H	0.0000
13	Q	H	-1.1257
14	P	H	-1.7486
15	G	H	-1.9628
16	R	H	-2.5372
17	S	H	-2.0216
18	L	H	-1.4642
19	R	H	-2.2203
20	L	H	0.0000
21	S	H	-0.5244
22	C	H	0.0000
23	A	H	-0.2963
24	A	H	0.0000
25	S	H	-0.2318
26	G	H	-0.0926
27	F	H	0.8996
28	I	H	1.8206
29	F	H	0.0000
30	S	H	-0.2006
31	S	H	0.3947
32	Y	H	0.2472
33	A	H	0.0000
34	M	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.7202
40	A	H	-1.1035
41	P	H	-0.8753
42	G	H	-1.2436
43	N	H	-1.7799
44	G	H	-1.0709
45	L	H	0.0000
46	E	H	-0.9530
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	F	H	0.0000
51	M	H	0.0000
52	S	H	0.0000
52A	Y	H	-0.6409
53	D	H	-2.0569
54	G	H	0.0000
55	S	H	-1.4800
56	N	H	-1.9724
57	K	H	-1.9437
58	K	H	-1.5008
59	Y	H	-1.4058
60	A	H	0.0000
61	D	H	-2.5971
62	S	H	-1.7872
63	V	H	0.0000
64	K	H	-2.6795
65	G	H	-1.7720
66	R	H	-1.6774
67	F	H	0.0000
68	T	H	-1.1474
69	I	H	0.0000
70	S	H	-0.5719
71	R	H	-1.2154
72	D	H	-1.8739
73	N	H	-1.7542
74	S	H	-1.6908
75	K	H	-2.4506
76	N	H	-1.5350
77	T	H	0.0000
78	L	H	0.0000
79	Y	H	-0.7332
80	L	H	0.0000
81	Q	H	-1.5954
82	M	H	0.0000
82A	N	H	-1.8313
82B	S	H	-1.6185
82C	L	H	0.0000
83	R	H	-2.4323
84	A	H	-1.6044
85	E	H	-2.2368
86	D	H	0.0000
87	T	H	-0.7538
88	A	H	0.0000
89	V	H	0.0256
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	-0.6096
95	D	H	0.0000
96	R	H	-0.9035
97	G	H	0.1579
98	I	H	1.5894
99	A	H	0.8342
100	A	H	0.2696
100A	G	H	-0.2253
100B	G	H	0.1421
100C	N	H	0.0076
100D	Y	H	0.4386
100E	Y	H	0.3236
100F	Y	H	0.4858
100G	Y	H	-0.0922
100H	G	H	0.0000
100I	M	H	0.0000
101	D	H	-1.1782
102	V	H	-0.3099
103	W	H	0.0000
104	G	H	0.0000
105	Q	H	-1.3279
106	G	H	-0.6135
107	T	H	-0.3032
108	T	H	-0.0640
109	V	H	0.0000
110	T	H	-0.2249
111	V	H	0.0000
112	S	H	-0.2676
113	S	H	-0.2788
114	A	H	-0.2302
115	S	H	-0.4114
116	T	H	-0.7444
117	K	H	-1.4635
118	G	H	-1.4139
119	P	H	-0.7085
120	S	H	-0.1898
121	V	H	0.0000
122	F	H	-0.5358
123	P	H	-1.2209
124	L	H	0.0000
125	A	H	-1.1890
126	P	H	0.0000
127	S	H	-1.3050
128	S	H	-1.1981
129	K	H	-1.9457
130	S	H	-1.3600
131	T	H	-1.0815
132	S	H	-0.8886
133	G	H	-0.8652
134	G	H	-0.8955
135	T	H	-0.5751
136	A	H	-0.4830
137	A	H	0.0000
138	L	H	0.0000
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	0.0000
144	D	H	-0.4190
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	-0.8638
148	E	H	-1.4077
149	P	H	-1.1613
150	V	H	-0.8039
151	T	H	-0.5648
152	V	H	-0.0563
153	S	H	-0.2786
154	W	H	0.0000
155	N	H	-0.6992
156	S	H	-0.5765
157	G	H	-0.5809
158	A	H	-0.2598
159	L	H	-0.0278
160	T	H	-0.2107
161	S	H	-0.2363
162	G	H	-0.3053
163	V	H	0.0699
164	H	H	-0.1276
165	T	H	0.0433
166	F	H	0.0000
167	P	H	-0.3166
168	A	H	0.0509
169	V	H	0.3516
170	L	H	1.0304
171	Q	H	0.2597
172	S	H	-0.0773
173	S	H	-0.2204
174	G	H	-0.0230
175	L	H	0.0332
176	Y	H	0.3868
177	S	H	0.1522
178	L	H	0.0000
179	S	H	0.0000
180	S	H	0.0000
181	V	H	0.0000
182	V	H	0.0000
183	T	H	-0.1468
184	V	H	0.0000
185	P	H	-0.4484
186	S	H	-0.5900
187	S	H	-0.4852
188	S	H	-0.5971
189	L	H	-0.7198
190	G	H	-0.9812
191	T	H	-0.7882
192	Q	H	-1.4033
193	T	H	-1.2536
194	Y	H	0.0000
195	I	H	-1.1723
196	C	H	0.0000
197	N	H	-1.0994
198	V	H	0.0000
199	N	H	-1.5763
200	H	H	0.0000
201	K	H	-2.8528
202	P	H	-1.8640
203	S	H	-2.0213
204	N	H	-2.6124
205	T	H	-2.0797
206	K	H	-2.3773
207	V	H	-0.9539
208	D	H	-1.5723
209	K	H	-1.6551
210	R	H	-2.6125
211	V	H	0.0000
212	E	H	-3.0578
213	P	H	-2.0849
214	K	H	-2.5813
215	S	H	-1.8479
216	C	H	-1.4389
217	D	H	-3.0443
218	K	H	-3.3327
219	T	H	-2.2888
220	H	H	-2.5066
221	T	H	-1.5985
222	C	H	-0.2581
223	P	H	-0.4394
224	P	H	-0.0834
225	C	H	0.2465
226	P	H	-0.2865
227	A	H	-0.9829
228	P	H	-1.8026
229	E	H	-2.5318
230	A	H	-1.4668
231	A	H	-1.1780
232	G	H	-0.9208
233	G	H	-1.1439
234	P	H	0.0000
235	S	H	-0.3058
236	V	H	0.0000
237	F	H	1.2614
238	L	H	1.0221
239	F	H	1.3400
240	P	H	-0.0392
241	P	H	0.0000
242	K	H	-2.2257
243	P	H	-1.3614
244	K	H	-1.0481
245	D	H	0.0000
246	T	H	0.0000
247	L	H	-0.3013
248	M	H	0.4161
249	I	H	1.3307
250	S	H	-0.0996
251	R	H	-1.6012
252	T	H	-0.7920
253	P	H	0.0000
254	E	H	-1.1981
255	V	H	0.0000
256	T	H	0.5254
257	C	H	0.0000
258	V	H	0.0000
259	V	H	0.0000
260	V	H	-0.9158
261	D	H	-2.0287
262	V	H	0.0000
263	S	H	-1.9406
264	H	H	-2.0379
265	E	H	-2.7910
266	D	H	-2.2630
267	P	H	-2.2607
268	E	H	-2.8693
269	V	H	-1.8280
270	K	H	-2.1344
271	F	H	-1.2552
272	N	H	-1.2740
273	W	H	0.0000
274	Y	H	-0.7747
275	V	H	-0.6181
276	D	H	-1.6065
277	G	H	-0.5064
278	V	H	0.7838
279	E	H	-0.8166
280	V	H	-0.6285
281	H	H	-1.9307
282	N	H	-2.1504
283	A	H	-1.6779
284	K	H	-2.5156
285	T	H	-2.0740
286	K	H	-2.8629
287	P	H	-2.5156
288	R	H	-3.7426
289	E	H	-4.1483
290	E	H	-3.4332
291	Q	H	-2.1210
292	Y	H	0.2076
293	N	H	-0.8025
294	S	H	-1.0201
295	T	H	0.0000
296	Y	H	-2.7311
297	R	H	-3.1387
298	V	H	0.0000
299	V	H	0.0000
300	S	H	0.0000
301	V	H	-0.8780
302	L	H	0.0000
303	T	H	-0.6668
304	V	H	0.0000
305	L	H	0.2768
306	H	H	-0.4442
307	Q	H	-1.5306
308	D	H	-1.6111
309	W	H	0.0000
310	L	H	-1.1999
311	N	H	-2.1694
312	G	H	-2.0524
313	K	H	-2.0684
314	E	H	-2.1296
315	Y	H	0.0000
316	K	H	-1.5243
317	C	H	0.0000
318	K	H	-1.7715
319	V	H	0.0000
320	S	H	-1.4049
321	N	H	0.0000
322	K	H	-2.4859
323	A	H	-1.7649
324	L	H	0.0000
325	P	H	-0.6607
326	A	H	-0.5654
327	P	H	-0.7746
328	I	H	-0.7452
329	E	H	-2.1720
330	K	H	-1.3190
331	T	H	-0.9637
332	I	H	-0.1999
333	S	H	-1.0815
334	K	H	-1.3416
335	A	H	-1.0380
336	K	H	-2.2433
337	G	H	-1.7894
338	Q	H	-1.8221
339	P	H	-1.7256
340	R	H	-1.8816
341	E	H	-2.4402
342	P	H	0.0000
343	Q	H	-1.1572
344	V	H	0.0000
345	Y	H	0.0000
346	T	H	0.0000
347	L	H	0.0000
348	P	H	-0.4267
349	P	H	-0.8317
350	S	H	-1.3336
351	R	H	-2.3862
352	E	H	-2.2095
353	E	H	0.0000
354	M	H	-1.7329
355	T	H	-1.5289
356	K	H	-2.2531
357	N	H	-2.6761
358	Q	H	-2.5686
359	V	H	0.0000
360	S	H	0.0000
361	L	H	0.0000
362	T	H	0.0000
363	C	H	0.0000
364	L	H	0.0000
365	V	H	0.0000
366	K	H	-0.5042
367	G	H	-0.9725
368	F	H	0.0000
369	Y	H	-0.9091
370	P	H	0.0000
371	S	H	-0.3442
372	D	H	-1.2360
373	I	H	0.0000
374	A	H	0.0000
375	V	H	-0.2683
376	E	H	-0.9542
377	W	H	0.0000
378	E	H	-1.5277
379	S	H	0.0000
380	N	H	-1.7916
381	G	H	-1.8546
382	Q	H	-2.2890
383	P	H	-1.9779
384	E	H	-1.9680
385	N	H	-2.3338
386	N	H	-2.0474
387	Y	H	-1.2765
388	K	H	-1.1249
389	T	H	-0.3731
390	T	H	0.0000
391	P	H	-0.1842
392	P	H	0.0096
393	V	H	0.0000
394	L	H	0.6875
395	D	H	-0.5670
396	S	H	-1.1605
397	D	H	-1.8197
398	G	H	-0.7904
399	S	H	0.0000
400	F	H	0.1592
401	F	H	0.0000
402	L	H	0.0000
403	Y	H	0.0000
404	S	H	0.0000
405	K	H	0.0000
406	L	H	0.0000
407	T	H	-1.1742
408	V	H	0.0000
409	D	H	-2.7887
410	K	H	-2.7718
411	S	H	-2.3392
412	R	H	-2.0592
413	W	H	0.0000
414	Q	H	-2.4249
415	Q	H	-2.1247
416	G	H	-1.1937
417	N	H	-0.5655
418	V	H	0.6998
419	F	H	0.0000
420	S	H	-0.5984
421	C	H	0.0000
422	S	H	0.0000
423	V	H	0.0000
424	M	H	0.0000
425	H	H	0.0000
426	E	H	-1.2984
427	A	H	-1.5982
428	L	H	-1.5834
429	H	H	-1.9053
430	N	H	-1.8345
431	H	H	-1.4484
432	Y	H	-0.5849
433	T	H	-0.7628
434	Q	H	-1.0166
435	K	H	-0.9306
436	S	H	-0.3254
437	L	H	0.0000
438	S	H	-0.0151
439	L	H	-0.3366
440	S	H	-0.4885
441	P	H	-0.5257
442	G	H	-0.8719
1	E	L	-1.5190
2	I	L	-0.1383
3	V	L	1.0268
4	L	L	0.0000
5	T	L	-0.4127
6	Q	L	0.0000
7	S	L	-0.6474
8	P	L	-0.3077
9	A	L	-0.2273
10	T	L	-0.2393
11	L	L	-0.1843
12	S	L	-0.8184
13	L	L	-1.2976
14	S	L	0.0000
15	P	L	-1.9021
16	G	L	-1.6884
17	E	L	-2.2912
18	R	L	-2.5487
19	A	L	0.0000
20	T	L	-0.6861
21	L	L	0.0000
22	S	L	-1.0104
23	C	L	0.0000
24	R	L	-2.4469
25	A	L	0.0000
26	S	L	-0.7354
27	Q	L	-0.8255
28	S	L	-0.5485
29	V	L	0.0000
30	Y	L	0.9035
31	S	L	0.2278
32	Y	L	0.7225
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	K	L	-1.6044
40	P	L	-1.3875
41	G	L	-1.6739
42	Q	L	-2.0789
43	A	L	-1.3005
44	P	L	0.0000
45	R	L	-1.2392
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.4139
50	D	L	-0.1680
51	A	L	0.0000
52	S	L	-1.0492
53	N	L	-1.4574
54	R	L	-1.6688
55	A	L	-1.0962
56	T	L	-0.7637
57	G	L	-0.6686
58	I	L	0.0000
59	P	L	-0.4430
60	A	L	-0.4086
61	R	L	-0.7010
62	F	L	0.0000
63	S	L	-0.7608
64	G	L	-0.7498
65	S	L	-0.8937
66	G	L	-1.0694
67	S	L	-0.7327
68	G	L	-0.5165
69	T	L	-1.4875
70	D	L	-2.5520
71	F	L	0.0000
72	T	L	-0.9528
73	L	L	0.0000
74	T	L	-0.6425
75	I	L	0.0000
76	S	L	-1.3961
77	S	L	-1.5771
78	L	L	0.0000
79	E	L	-1.8808
80	P	L	-1.5849
81	E	L	-2.3032
82	D	L	0.0000
83	F	L	-0.8315
84	A	L	0.0000
85	V	L	-0.1500
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	R	L	0.0000
92	S	L	-0.0002
93	N	L	-1.0109
94	W	L	-0.5572
95	P	L	-1.0292
95A	P	L	-0.9930
96	F	L	0.0000
97	T	L	-0.0416
98	F	L	0.0000
99	G	L	0.0000
100	P	L	-0.6245
101	G	L	-0.4581
102	T	L	0.0000
103	K	L	-0.5400
104	V	L	0.0000
105	D	L	-0.6959
106	I	L	-1.3418
107	K	L	-2.3395
108	R	L	-2.1901
109	T	L	-0.5481
110	V	L	0.7944
111	A	L	0.2256
112	A	L	0.0474
113	P	L	0.0000
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108	R	D	-1.1427
109	T	D	-0.5157
110	V	D	0.1172
111	A	D	-0.1244
112	A	D	-0.1742
113	P	D	0.0000
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117	I	D	0.0000
118	F	D	0.0000
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120	P	D	0.0000
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122	D	D	-2.7808
123	E	D	-2.5247
124	Q	D	0.0000
125	L	D	-2.1510
126	K	D	-2.6698
127	S	D	-1.7038
128	G	D	-1.1262
129	T	D	-1.0253
130	A	D	0.0000
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132	V	D	0.0000
133	V	D	0.0000
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135	L	D	0.0000
136	L	D	0.0000
137	N	D	0.0000
138	N	D	-1.0150
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140	Y	D	0.0000
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142	R	D	-2.7614
143	E	D	-2.9297
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147	Q	D	-1.4425
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150	V	D	0.0000
151	D	D	-1.8173
152	N	D	-1.5182
153	A	D	-0.2887
154	L	D	0.6539
155	Q	D	-0.5322
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157	G	D	-1.2763
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160	Q	D	-1.2520
161	E	D	-1.9161
162	S	D	-0.6114
163	V	D	-0.6161
164	T	D	-1.0048
165	E	D	-2.2546
166	Q	D	-2.0468
167	D	D	-2.1063
168	S	D	-1.7722
169	K	D	-2.4645
170	D	D	-2.0056
171	S	D	-1.6838
172	T	D	0.0000
173	Y	D	0.0000
174	S	D	0.0000
175	L	D	0.0000
176	S	D	0.0000
177	S	D	0.0000
178	T	D	0.0000
179	L	D	0.0000
180	T	D	-0.5060
181	L	D	-0.9158
182	S	D	-1.4052
183	K	D	-2.6045
184	A	D	-2.1235
185	D	D	-3.2290
186	Y	D	0.0000
187	E	D	-3.9284
188	K	D	-3.8732
189	H	D	-3.2896
190	K	D	-3.0574
191	V	D	-1.7238
192	Y	D	0.0000
193	A	D	-0.9022
194	C	D	0.0000
195	E	D	-1.2211
196	V	D	0.0000
197	T	D	-1.4074
198	H	D	0.0000
199	Q	D	-1.7448
200	G	D	-0.5760
201	L	D	-0.4477
202	S	D	-0.6559
203	S	D	-0.6715
204	P	D	-0.6195
205	V	D	-0.1252
206	T	D	-0.6277
207	K	D	-0.7063
208	S	D	-0.8009
209	F	D	0.0000
210	N	D	-2.0537
211	R	D	-2.2027
212	G	D	-2.0927
213	E	D	-2.1118
214	C	D	-0.8573