Project name: P002

Chain sequence(s)	A: DIQMTQSPSSVSASVGDRVEITCRASQGINTWLAWYQQDPGKAPKLLIYAASSLKSGVPERFSGSGSGTDFTLTISSLQPEDFATYYCQQANSFPLTFGGGTKVEIKGGGGSGGGGSGGGGSQVYLVQSIAEFKKPGASVKVSCIFSGYTFTSYGFSWVRQAPGQGLEWGGWISASNGNTYYAQKLQGRVTMTTDTSTSTAYMELRHLRSDDTAVYYCARVYADYADYWGQGTLVTVSS
Selected Chain(s)	A
Distance of aggregation	5 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 A 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                                          (00:04:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:33)

• Minimal score value: -1.9993
• Maximal score value: 2.0152
• Average score: -0.2578
• Total score value: -61.6248

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	D	A	-1.7405
2	I	A	-0.2859
3	Q	A	-1.1484
4	M	A	0.0000
5	T	A	-0.2351
6	Q	A	0.0000
7	S	A	-0.1491
8	P	A	-0.1797
9	S	A	-0.2706
10	S	A	-0.3904
11	V	A	0.2662
12	S	A	-0.4959
13	A	A	0.0000
14	S	A	0.1640
15	V	A	1.2552
16	G	A	-0.3706
17	D	A	-1.2138
18	R	A	-1.9993
19	V	A	0.0000
20	E	A	-1.8216
21	I	A	0.0000
22	T	A	-0.0257
23	C	A	0.0000
24	R	A	-1.8026
25	A	A	0.0000
26	S	A	-0.4213
27	Q	A	-1.3198
28	G	A	-0.7047
29	I	A	0.0000
30	N	A	-1.2963
31	T	A	-0.1545
32	W	A	0.5819
33	L	A	0.0000
34	A	A	0.0000
35	W	A	0.0000
36	Y	A	0.0000
37	Q	A	0.0000
38	Q	A	0.0000
39	D	A	-0.8340
40	P	A	-0.4919
41	G	A	-0.8347
42	K	A	-1.7858
43	A	A	-0.2993
44	P	A	0.0000
45	K	A	-1.2898
46	L	A	0.0000
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	0.3297
50	A	A	0.0792
51	A	A	0.0000
52	S	A	-0.2286
53	S	A	-0.0332
54	L	A	0.4398
55	K	A	-0.4061
56	S	A	-0.3852
57	G	A	-0.4669
58	V	A	0.0957
59	P	A	-0.4212
60	E	A	-1.8936
61	R	A	-0.6147
62	F	A	0.0000
63	S	A	-0.1453
64	G	A	-0.1464
65	S	A	-0.2612
66	G	A	-0.2782
67	S	A	-0.2573
68	G	A	-0.4150
69	T	A	-0.2748
70	D	A	-1.1604
71	F	A	0.0000
72	T	A	-0.0215
73	L	A	0.0000
74	T	A	-0.2257
75	I	A	0.0000
76	S	A	-0.3026
77	S	A	-0.1556
78	L	A	0.0000
79	Q	A	-0.4337
80	P	A	-0.6615
81	E	A	-1.8669
82	D	A	0.0000
83	F	A	0.2709
84	A	A	0.0000
85	T	A	0.0000
86	Y	A	0.0000
87	Y	A	0.0000
88	C	A	0.0000
89	Q	A	0.0000
90	Q	A	0.0000
91	A	A	-0.1056
92	N	A	-0.6225
93	S	A	-0.1072
94	F	A	0.8980
95	P	A	0.2425
96	L	A	0.0000
97	T	A	0.0225
98	F	A	0.1838
99	G	A	0.0000
100	G	A	-0.4663
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-1.5681
104	V	A	0.0000
105	E	A	-1.2384
106	I	A	0.6550
107	K	A	-1.5930
108	G	A	-0.8506
109	G	A	-0.6297
110	G	A	-0.6426
111	G	A	-0.5955
112	S	A	-0.3814
113	G	A	-0.5893
114	G	A	-0.6376
115	G	A	-0.6389
116	G	A	-0.5903
117	S	A	-0.3811
118	G	A	-0.6026
119	G	A	-0.6540
120	G	A	-0.6444
121	G	A	-0.5923
122	S	A	-0.5197
123	Q	A	-1.1880
124	V	A	0.1186
125	Y	A	0.8502
126	L	A	0.0000
127	V	A	0.9195
128	Q	A	0.0000
129	S	A	0.3348
130	I	A	2.0152
131	A	A	0.4662
132	E	A	-0.1229
133	F	A	1.7481
134	K	A	-0.4869
135	K	A	-1.8095
136	P	A	-0.4532
137	G	A	-0.6066
138	A	A	-0.0884
139	S	A	-0.2822
140	V	A	0.0000
141	K	A	-1.6602
142	V	A	0.0000
143	S	A	-0.0039
144	C	A	0.0000
145	I	A	0.7838
146	F	A	0.0000
147	S	A	-0.1329
148	G	A	-0.3927
149	Y	A	0.1604
150	T	A	-0.0235
151	F	A	0.0000
152	T	A	-0.0964
153	S	A	-0.1710
154	Y	A	0.2165
155	G	A	0.0000
156	F	A	0.0000
157	S	A	0.0000
158	W	A	0.0000
159	V	A	0.0000
160	R	A	0.0000
161	Q	A	-0.1483
162	A	A	0.0000
163	P	A	-0.3432
164	G	A	-0.7442
165	Q	A	-1.3105
166	G	A	-0.3421
167	L	A	0.0000
168	E	A	-0.5052
169	W	A	0.0000
170	G	A	0.0000
171	G	A	0.0000
172	W	A	0.1540
173	I	A	0.0000
174	S	A	0.0000
175	A	A	0.0000
176	S	A	-0.4605
177	N	A	-1.3745
178	G	A	-0.7548
179	N	A	-1.0888
180	T	A	-0.1063
181	Y	A	0.6822
182	Y	A	0.3817
183	A	A	0.0000
184	Q	A	-1.6495
185	K	A	-1.9251
186	L	A	0.0000
187	Q	A	-1.4161
188	G	A	-0.7527
189	R	A	-0.5958
190	V	A	0.0000
191	T	A	-0.1426
192	M	A	0.0000
193	T	A	-0.0455
194	T	A	-0.1456
195	D	A	-0.6981
196	T	A	-0.2405
197	S	A	-0.2370
198	T	A	-0.1106
199	S	A	-0.0667
200	T	A	0.0000
201	A	A	0.0000
202	Y	A	0.2312
203	M	A	0.0000
204	E	A	-1.0321
205	L	A	0.0000
206	R	A	-1.6729
207	H	A	-1.3249
208	L	A	0.0000
209	R	A	-1.6676
210	S	A	-0.8511
211	D	A	-1.8287
212	D	A	0.0000
213	T	A	-0.0166
214	A	A	0.0000
215	V	A	0.5662
216	Y	A	0.0000
217	Y	A	0.0000
218	C	A	0.0000
219	A	A	0.0000
220	R	A	0.0000
221	V	A	0.3896
222	Y	A	1.2216
223	A	A	0.2416
224	D	A	-0.1654
225	Y	A	0.0918
226	A	A	0.0000
227	D	A	-0.1292
228	Y	A	0.4316
229	W	A	0.2081
230	G	A	0.0000
231	Q	A	-1.2108
232	G	A	-0.2878
233	T	A	0.0000
234	L	A	1.0158
235	V	A	0.0000
236	T	A	0.2012
237	V	A	0.0000
238	S	A	-0.1322
239	S	A	-0.2293