Project name: 3fd582ed30758ed

Chain sequence(s)	A: DIQMTQSPSSLSASVGDRVTITCRASQGPTSYLAWYQQKPGKAPKLLIYATKTLQSGVPSRFSGSGSGTDFTLTISRLQPEDFATYYCQQLNSYPLTFGGGTKVEIKGGGGSGGGGSGGGGSGGGGSQVQLVESGGGVVQPGRSLRLSCAASGFTFSNYGMHWVRQAPGKGLEWVAVISYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGVLDVWGQGTTVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)

• Minimal score value: -2.8124
• Maximal score value: 1.6388
• Average score: -0.7088
• Total score value: -170.8137

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	-2.0077
2	I	A	-1.7731
3	Q	A	-2.1873
4	M	A	0.0000
5	T	A	-1.2884
6	Q	A	-0.9758
7	S	A	-0.8068
8	P	A	-0.6021
9	S	A	-0.8485
10	S	A	-1.1094
11	L	A	-0.7742
12	S	A	-1.1969
13	A	A	0.0000
14	S	A	-0.5942
15	V	A	0.3246
16	G	A	-1.0681
17	D	A	-2.0791
18	R	A	-2.8124
19	V	A	0.0000
20	T	A	-0.6192
21	I	A	0.0000
22	T	A	-0.8021
23	C	A	0.0000
24	R	A	-2.6278
25	A	A	0.0000
26	S	A	-1.9986
27	Q	A	-2.3234
28	G	A	-1.7108
29	P	A	-1.0445
30	T	A	0.0000
31	S	A	0.0781
32	Y	A	1.1379
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	K	A	-1.6593
40	P	A	-1.3011
41	G	A	-1.6748
42	K	A	-2.5621
43	A	A	-1.5933
44	P	A	0.0000
45	K	A	-1.4072
46	L	A	0.0000
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	0.6386
50	A	A	0.4366
51	T	A	0.0000
52	K	A	-1.4935
53	T	A	-0.5518
54	L	A	-0.1018
55	Q	A	-0.4642
56	S	A	-0.3915
57	G	A	-0.5234
58	V	A	-0.3512
59	P	A	-0.3292
60	S	A	-0.5724
61	R	A	-1.1548
62	F	A	0.0000
63	S	A	-0.6811
64	G	A	-0.8631
65	S	A	-1.1555
66	G	A	-1.3488
67	S	A	-0.9378
68	G	A	-1.3089
69	T	A	-1.7938
70	D	A	-2.0534
71	F	A	0.0000
72	T	A	-0.9239
73	L	A	0.0000
74	T	A	-0.8200
75	I	A	0.0000
76	S	A	-2.0841
77	R	A	-2.7662
78	L	A	0.0000
79	Q	A	-1.1403
80	P	A	-0.5713
81	E	A	-1.2921
82	D	A	0.0000
83	F	A	-0.5951
84	A	A	0.0000
85	T	A	-1.0180
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	L	A	0.9036
92	N	A	-0.0301
93	S	A	0.0782
94	Y	A	0.8624
95	P	A	-0.0951
96	L	A	0.0000
97	T	A	-0.5774
98	F	A	0.0000
99	G	A	0.0000
100	G	A	-1.2578
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-1.9666
104	V	A	0.0000
105	E	A	-1.7323
106	I	A	-0.1786
107	K	A	-1.6589
108	G	A	-1.5589
109	G	A	-1.4369
110	G	A	-1.2910
111	G	A	-1.2823
112	S	A	-1.0284
113	G	A	-1.1035
114	G	A	-1.1837
115	G	A	-1.2006
116	G	A	-1.1279
117	S	A	-0.9265
118	G	A	-1.0189
119	G	A	-1.1787
120	G	A	-1.1200
121	G	A	-1.0100
122	S	A	-0.9689
123	G	A	-1.0551
124	G	A	-1.2942
125	G	A	-1.2873
126	G	A	-1.2509
127	S	A	-1.1839
128	Q	A	-1.4761
129	V	A	-0.2971
130	Q	A	-0.6779
131	L	A	0.0000
132	V	A	0.6788
133	E	A	0.0000
134	S	A	-0.4693
135	G	A	-0.9639
136	G	A	-0.3632
137	G	A	0.3238
138	V	A	1.3362
139	V	A	0.0000
140	Q	A	-1.8393
141	P	A	-2.1146
142	G	A	-2.0944
143	R	A	-2.7623
144	S	A	-2.0533
145	L	A	-1.2955
146	R	A	-1.9648
147	L	A	0.0000
148	S	A	-0.4243
149	C	A	0.0000
150	A	A	-0.2146
151	A	A	0.0000
152	S	A	-0.6510
153	G	A	-0.6239
154	F	A	-0.2522
155	T	A	-0.3930
156	F	A	0.0000
157	S	A	-0.9483
158	N	A	-1.0718
159	Y	A	0.1851
160	G	A	-0.0096
161	M	A	0.0000
162	H	A	0.0000
163	W	A	0.0000
164	V	A	0.0000
165	R	A	0.0000
166	Q	A	-0.7719
167	A	A	-1.2024
168	P	A	-1.1668
169	G	A	-1.4531
170	K	A	-2.2594
171	G	A	-1.4140
172	L	A	0.0000
173	E	A	-0.9232
174	W	A	0.0000
175	V	A	0.0000
176	A	A	0.0000
177	V	A	0.0000
178	I	A	0.0000
179	S	A	-0.7578
180	Y	A	-0.2580
181	D	A	-1.8465
182	G	A	-1.4273
183	S	A	-1.3832
184	N	A	-1.7583
185	K	A	-1.2110
186	Y	A	-0.1773
187	Y	A	-0.5994
188	A	A	0.0000
189	D	A	-2.4163
190	S	A	-1.7292
191	V	A	0.0000
192	K	A	-2.5329
193	G	A	-1.7703
194	R	A	-1.5287
195	F	A	0.0000
196	T	A	-0.8641
197	I	A	0.0000
198	S	A	-0.5065
199	R	A	-1.0533
200	D	A	-1.7717
201	N	A	-1.9455
202	S	A	-1.6171
203	K	A	-2.4000
204	N	A	-1.7679
205	T	A	-1.0612
206	L	A	0.0000
207	Y	A	-0.5274
208	L	A	0.0000
209	Q	A	-1.1304
210	M	A	0.0000
211	N	A	-1.8918
212	S	A	-1.7655
213	L	A	0.0000
214	R	A	-2.7485
215	A	A	-1.8121
216	E	A	-2.3312
217	D	A	0.0000
218	T	A	-0.6560
219	A	A	0.0000
220	V	A	0.1376
221	Y	A	0.0000
222	Y	A	0.0000
223	C	A	0.0000
224	A	A	0.0000
225	R	A	0.1652
226	G	A	0.6386
227	V	A	1.6388
228	L	A	0.0000
229	D	A	-0.0832
230	V	A	0.0449
231	W	A	-0.4661
232	G	A	0.0000
233	Q	A	-1.4036
234	G	A	0.0000
235	T	A	-0.1749
236	T	A	0.1949
237	V	A	0.0000
238	T	A	0.0130
239	V	A	0.0000
240	S	A	-0.6857
241	S	A	-0.6797