Project name: Z002

Chain sequence(s)	A: AIQLTQSPSSLSASVGDRVTITCRESQDISSALVWYQQKPHKAPKLLIYDASSLESGVPSRFSGSESGTDFTLTISSLQPEDFATTYCQQFNSYPLTFGGGTKVEIKGGGGSGGGGSGGGGSQVILRESGGGVCQPGRSLRLSCPASGFTFSTYGMHWVRQAPGKGLEWVAVIWDDGSYKYYGDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDGITMVRGVMKDYFDYWGQGTLVTVSS
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                                          (00:03:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:32)

• Minimal score value: -2.0153
• Maximal score value: 1.7552
• Average score: -0.2601
• Total score value: -64.2392

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	A	A	0.0999
2	I	A	0.0139
3	Q	A	-1.1245
4	L	A	-0.0722
5	T	A	-0.2550
6	Q	A	-0.1575
7	S	A	-0.1754
8	P	A	-0.1830
9	S	A	-0.2712
10	S	A	-0.2884
11	L	A	0.1438
12	S	A	-0.3085
13	A	A	-0.0467
14	S	A	-0.0019
15	V	A	1.2952
16	G	A	-0.3463
17	D	A	-1.2868
18	R	A	-2.0153
19	V	A	0.0000
20	T	A	-0.0671
21	I	A	0.0000
22	T	A	-0.0301
23	C	A	0.0000
24	R	A	-1.9120
25	E	A	0.0000
26	S	A	-0.4113
27	Q	A	-1.5591
28	D	A	-2.0075
29	I	A	0.0000
30	S	A	-0.0400
31	S	A	-0.1040
32	A	A	0.0000
33	L	A	0.0000
34	V	A	0.0000
35	W	A	0.0000
36	Y	A	0.0000
37	Q	A	-0.1243
38	Q	A	0.0000
39	K	A	-0.9173
40	P	A	-0.4927
41	H	A	-1.3369
42	K	A	-1.8845
43	A	A	-0.3105
44	P	A	0.0000
45	K	A	-1.6736
46	L	A	0.0000
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	0.1943
50	D	A	-0.2891
51	A	A	0.0000
52	S	A	-0.2341
53	S	A	-0.0065
54	L	A	0.4523
55	E	A	-0.3924
56	S	A	-0.3830
57	G	A	-0.5050
58	V	A	0.0000
59	P	A	-0.1661
60	S	A	-0.2859
61	R	A	-0.3113
62	F	A	0.0000
63	S	A	-0.1687
64	G	A	-0.1571
65	S	A	-0.3795
66	E	A	-0.9168
67	S	A	-0.4543
68	G	A	-0.5089
69	T	A	-0.1992
70	D	A	-0.7235
71	F	A	0.0000
72	T	A	-0.0192
73	L	A	0.0000
74	T	A	-0.0236
75	I	A	0.0000
76	S	A	-0.3147
77	S	A	-0.1763
78	L	A	0.0000
79	Q	A	-0.5693
80	P	A	-0.5552
81	E	A	-1.6357
82	D	A	0.0000
83	F	A	0.8303
84	A	A	0.0000
85	T	A	-0.0909
86	T	A	0.0000
87	Y	A	0.0000
88	C	A	0.0000
89	Q	A	0.0000
90	Q	A	0.0000
91	F	A	0.0000
92	N	A	-0.3443
93	S	A	-0.1383
94	Y	A	0.3356
95	P	A	0.0527
96	L	A	0.0000
97	T	A	0.0289
98	F	A	0.2080
99	G	A	0.0000
100	G	A	-0.4663
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-0.6231
104	V	A	0.0000
105	E	A	-1.0544
106	I	A	-0.1660
107	K	A	-1.7338
108	G	A	-0.8556
109	G	A	-0.6301
110	G	A	-0.6413
111	G	A	-0.5936
112	S	A	-0.3761
113	G	A	-0.5868
114	G	A	-0.6324
115	G	A	-0.6378
116	G	A	-0.5927
117	S	A	-0.3824
118	G	A	-0.5980
119	G	A	-0.6422
120	G	A	-0.6345
121	G	A	-0.5909
122	S	A	-0.5195
123	Q	A	-1.2010
124	V	A	0.2119
125	I	A	1.5729
126	L	A	0.0000
127	R	A	-0.7182
128	E	A	0.0000
129	S	A	-0.2176
130	G	A	-0.2954
131	G	A	-0.2806
132	G	A	0.1368
133	V	A	1.7552
134	C	A	0.2277
135	Q	A	-0.9910
136	P	A	-0.3872
137	G	A	-0.8140
138	R	A	-1.7494
139	S	A	-0.5122
140	L	A	-0.1230
141	R	A	-1.8782
142	L	A	0.0000
143	S	A	-0.0172
144	C	A	0.0000
145	P	A	-0.1161
146	A	A	0.0000
147	S	A	-0.2947
148	G	A	-0.4193
149	F	A	0.1989
150	T	A	-0.0167
151	F	A	0.0000
152	S	A	-0.1234
153	T	A	-0.0226
154	Y	A	0.2602
155	G	A	0.0000
156	M	A	0.0000
157	H	A	0.0000
158	W	A	0.0000
159	V	A	0.0000
160	R	A	0.0000
161	Q	A	-0.1546
162	A	A	-0.0630
163	P	A	-0.3401
164	G	A	-0.8393
165	K	A	-1.8202
166	G	A	-0.4816
167	L	A	0.0000
168	E	A	-0.7275
169	W	A	0.0000
170	V	A	0.0000
171	A	A	0.0000
172	V	A	0.0000
173	I	A	0.0000
174	W	A	0.3678
175	D	A	-0.7919
176	D	A	-1.9323
177	G	A	-0.5618
178	S	A	-0.0382
179	Y	A	0.8710
180	K	A	-0.6983
181	Y	A	0.3010
182	Y	A	0.3146
183	G	A	0.0000
184	D	A	-1.8141
185	S	A	-0.4663
186	V	A	0.0000
187	K	A	-1.7873
188	G	A	-0.8452
189	R	A	-0.4145
190	F	A	0.0000
191	T	A	-0.1018
192	I	A	0.0000
193	S	A	-0.1249
194	R	A	-0.3804
195	D	A	-0.9008
196	N	A	-0.8798
197	S	A	-0.6375
198	K	A	-1.8547
199	N	A	-1.0054
200	T	A	0.0000
201	L	A	0.0000
202	Y	A	0.1373
203	L	A	0.0000
204	Q	A	-0.9323
205	M	A	0.0000
206	N	A	-0.5058
207	S	A	-0.3280
208	L	A	0.0000
209	R	A	-1.8331
210	A	A	-0.6186
211	E	A	-1.8092
212	D	A	0.0000
213	T	A	-0.0145
214	A	A	0.0000
215	V	A	0.6067
216	Y	A	0.0000
217	Y	A	0.0000
218	C	A	0.0000
219	A	A	0.0000
220	R	A	-0.1844
221	D	A	0.0000
222	G	A	0.1242
223	I	A	0.8844
224	T	A	0.3578
225	M	A	1.1698
226	V	A	0.0000
227	R	A	-1.9303
228	G	A	-0.5374
229	V	A	1.5665
230	M	A	1.3889
231	K	A	-0.1052
232	D	A	-0.1695
233	Y	A	0.0852
234	F	A	0.0000
235	D	A	-0.1216
236	Y	A	0.5959
237	W	A	0.2383
238	G	A	0.0000
239	Q	A	-1.2084
240	G	A	-0.2819
241	T	A	0.2431
242	L	A	1.4306
243	V	A	0.0000
244	T	A	0.2052
245	V	A	0.0000
246	S	A	-0.1789
247	S	A	-0.2376