Project name: Z003

Chain sequence(s)	A: AAQLTQSPSSLSASVGDRVTITCRASQDISSALVWYQQKPGKAPKLLIYDASSLESGVPSRFSGSESGTDTTLTISSLQPEDFATYYCQQFNSYPLTFGGGTKVEIKGGGGSGGGGSGGGGSQVTLQEKDGGVCQPGRSLRLSCAQSGFTFSTYGMEWVPQAPGKGLEWVAVIWDDGSYKYKGDSVKGRFTISRDNSKNTLYLQMNSLRATDTAYYYCARDGITMVRGVMKDYFDYWGQGTLVTVSS
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                                          (00:03:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:25)

• Minimal score value: -2.0076
• Maximal score value: 1.7578
• Average score: -0.2664
• Total score value: -65.7926

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	0.0585
2	A	A	0.0000
3	Q	A	-1.1983
4	L	A	0.0000
5	T	A	-0.0709
6	Q	A	0.0000
7	S	A	-0.2395
8	P	A	-0.1921
9	S	A	-0.2636
10	S	A	-0.3293
11	L	A	0.1947
12	S	A	-0.5291
13	A	A	0.0000
14	S	A	0.1612
15	V	A	1.1755
16	G	A	-0.3518
17	D	A	-1.2131
18	R	A	-2.0001
19	V	A	0.0000
20	T	A	-0.0643
21	I	A	0.0000
22	T	A	-0.0196
23	C	A	0.0000
24	R	A	-1.8908
25	A	A	0.0000
26	S	A	-0.4126
27	Q	A	-1.3464
28	D	A	-1.6716
29	I	A	0.0000
30	S	A	-0.0363
31	S	A	-0.1065
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	0.0000
38	Q	A	0.0000
39	K	A	-0.4918
40	P	A	-0.4269
41	G	A	-0.8356
42	K	A	-1.7862
43	A	A	-0.3032
44	P	A	0.0000
45	K	A	-1.1991
46	L	A	0.0000
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	0.2294
50	D	A	-0.2551
51	A	A	0.0000
52	S	A	-0.2119
53	S	A	0.0023
54	L	A	0.4687
55	E	A	-0.4321
56	S	A	-0.3925
57	G	A	-0.4674
58	V	A	0.0934
59	P	A	-0.1379
60	S	A	-0.2980
61	R	A	-0.3647
62	F	A	0.0000
63	S	A	-0.1414
64	G	A	-0.1518
65	S	A	-0.3684
66	E	A	-0.8547
67	S	A	-0.4452
68	G	A	-0.5094
69	T	A	-0.1791
70	D	A	-0.6030
71	T	A	0.0000
72	T	A	-0.0167
73	L	A	0.0000
74	T	A	-0.0241
75	I	A	0.0000
76	S	A	-0.3066
77	S	A	-0.1355
78	L	A	0.0000
79	Q	A	-0.4254
80	P	A	-0.6586
81	E	A	-1.8668
82	D	A	0.0000
83	F	A	0.2780
84	A	A	0.0000
85	T	A	-0.1697
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	F	A	0.0000
92	N	A	-0.3130
93	S	A	-0.2040
94	Y	A	0.2199
95	P	A	0.0114
96	L	A	0.0000
97	T	A	0.0303
98	F	A	0.2020
99	G	A	0.0000
100	G	A	-0.4663
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-1.1821
104	V	A	0.0000
105	E	A	-1.3959
106	I	A	0.5083
107	K	A	-1.6115
108	G	A	-0.8547
109	G	A	-0.6297
110	G	A	-0.6406
111	G	A	-0.5940
112	S	A	-0.3784
113	G	A	-0.5869
114	G	A	-0.6358
115	G	A	-0.6406
116	G	A	-0.5926
117	S	A	-0.3808
118	G	A	-0.6027
119	G	A	-0.6512
120	G	A	-0.6400
121	G	A	-0.5921
122	S	A	-0.5210
123	Q	A	-1.1893
124	V	A	-0.0171
125	T	A	0.0101
126	L	A	0.0000
127	Q	A	-0.7382
128	E	A	0.0000
129	K	A	-1.3178
130	D	A	-2.0033
131	G	A	-0.5314
132	G	A	0.1479
133	V	A	1.7578
134	C	A	0.3001
135	Q	A	-0.5767
136	P	A	-0.2640
137	G	A	-0.8450
138	R	A	-1.9590
139	S	A	-0.5331
140	L	A	-0.0843
141	R	A	-1.6415
142	L	A	0.0000
143	S	A	0.0000
144	C	A	0.0000
145	A	A	0.0168
146	Q	A	0.0000
147	S	A	-0.2957
148	G	A	-0.4140
149	F	A	0.1722
150	T	A	-0.0221
151	F	A	0.0000
152	S	A	-0.1282
153	T	A	-0.0291
154	Y	A	0.2441
155	G	A	0.0000
156	M	A	0.0000
157	E	A	0.0000
158	W	A	0.0000
159	V	A	0.0000
160	P	A	-0.0470
161	Q	A	-0.0561
162	A	A	-0.0526
163	P	A	-0.3068
164	G	A	-0.8413
165	K	A	-1.8156
166	G	A	-0.4442
167	L	A	0.0000
168	E	A	-1.6313
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	0.5503
175	D	A	-0.7564
176	D	A	-1.9249
177	G	A	-0.5230
178	S	A	-0.1244
179	Y	A	0.3714
180	K	A	-0.7767
181	Y	A	0.3371
182	K	A	-0.2957
183	G	A	-0.4525
184	D	A	-2.0076
185	S	A	-0.5459
186	V	A	0.0000
187	K	A	-1.9667
188	G	A	-0.8406
189	R	A	-0.4525
190	F	A	0.0000
191	T	A	-0.0690
192	I	A	0.0000
193	S	A	-0.1308
194	R	A	-0.3675
195	D	A	-0.9713
196	N	A	-0.9417
197	S	A	-0.6585
198	K	A	-1.8296
199	N	A	-0.8769
200	T	A	0.0000
201	L	A	0.0000
202	Y	A	0.1490
203	L	A	0.0000
204	Q	A	-0.5544
205	M	A	0.0000
206	N	A	-0.6401
207	S	A	-0.3338
208	L	A	0.0000
209	R	A	-1.2693
210	A	A	-0.2005
211	T	A	-0.0603
212	D	A	0.0000
213	T	A	-0.0167
214	A	A	0.0000
215	Y	A	0.7338
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	D	A	-0.2169
222	G	A	0.0000
223	I	A	1.5575
224	T	A	0.4735
225	M	A	1.1256
226	V	A	0.0000
227	R	A	-1.9304
228	G	A	-0.5005
229	V	A	1.7342
230	M	A	1.4093
231	K	A	-0.1774
232	D	A	-0.2573
233	Y	A	0.0000
234	F	A	0.0000
235	D	A	-0.1415
236	Y	A	0.5389
237	W	A	0.2259
238	G	A	0.0000
239	Q	A	-1.1983
240	G	A	0.0000
241	T	A	0.1717
242	L	A	1.0376
243	V	A	0.0000
244	T	A	0.2067
245	V	A	0.0000
246	S	A	-0.1604
247	S	A	-0.2344