Project name: irma01-scfv

Chain sequence(s)	A: QVQLQESGPGLVKPSETLSLTCTVSGFSLTIYGVHWVRQPPGCGLEWIGVIWSDASTDYNSALISRVTISKDTSKNQVFLKLSSVTAADTAVYYCAKEDYFGFDSWGQGTLVTVSSGGGGSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCKASQSVSNDVVWYQQKPGKAPKLLIYYASNRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCQQDYSSPWTFGCGTKLEIK
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]                                                (00:00:01)
[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                                          (00:02:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)

• Minimal score value: -2.6527
• Maximal score value: 1.9298
• Average score: -0.4937
• Total score value: -119.9769

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	A	-1.4777
2	V	A	-1.0105
3	Q	A	-1.7310
4	L	A	0.0000
5	Q	A	-1.2598
6	E	A	0.0000
7	S	A	-0.5177
8	G	A	-0.3324
9	P	A	-0.0547
10	G	A	0.3039
11	L	A	0.5836
12	V	A	0.0000
13	K	A	-1.4869
14	P	A	-1.1894
15	S	A	-1.3082
16	E	A	-1.9140
17	T	A	-1.3386
18	L	A	0.0000
19	S	A	-0.7306
20	L	A	0.0000
21	T	A	-0.3745
22	C	A	0.0000
23	T	A	-1.0603
24	V	A	0.0000
25	S	A	-1.2958
26	G	A	-1.0740
27	F	A	-0.0185
28	S	A	0.5514
29	L	A	0.0000
30	T	A	0.5536
31	I	A	1.9298
32	Y	A	0.9577
33	G	A	0.0000
34	V	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	0.0150
40	P	A	0.0375
41	P	A	-0.2639
42	G	A	-0.2386
43	C	A	0.4565
44	G	A	0.0000
45	L	A	0.0000
46	E	A	-0.3041
47	W	A	0.0000
48	I	A	0.0000
49	G	A	0.0000
50	V	A	0.0000
51	I	A	0.0000
52	W	A	-0.1335
53	S	A	-0.0211
54	D	A	-1.3838
55	A	A	-0.9057
56	S	A	-0.7653
57	T	A	-0.6201
58	D	A	-0.5406
59	Y	A	0.1940
60	N	A	0.1122
61	S	A	0.1053
62	A	A	0.0863
63	L	A	0.0000
64	I	A	1.5431
65	S	A	0.4793
66	R	A	-0.1640
67	V	A	0.0000
68	T	A	-0.2273
69	I	A	0.0000
70	S	A	-0.3489
71	K	A	-0.8094
72	D	A	-1.3087
73	T	A	-1.2581
74	S	A	-1.4139
75	K	A	-2.3484
76	N	A	-1.8218
77	Q	A	-1.3758
78	V	A	0.0000
79	F	A	-0.1295
80	L	A	0.0000
81	K	A	-1.0779
82	L	A	0.0000
83	S	A	-1.0813
84	S	A	-1.0795
85	V	A	0.0000
86	T	A	-0.5550
87	A	A	-0.1731
88	A	A	0.0071
89	D	A	0.0000
90	T	A	0.3159
91	A	A	0.0000
92	V	A	0.6424
93	Y	A	0.0000
94	Y	A	0.0000
95	C	A	0.0000
96	A	A	0.0000
97	K	A	0.0000
98	E	A	-0.3396
99	D	A	-0.2526
100	Y	A	1.0913
101	F	A	0.6216
102	G	A	0.0000
103	F	A	0.0000
104	D	A	-0.5024
105	S	A	-0.8245
106	W	A	-0.9462
107	G	A	0.0000
108	Q	A	-1.7571
109	G	A	0.0000
110	T	A	0.2653
111	L	A	1.4465
112	V	A	0.0000
113	T	A	0.4183
114	V	A	0.0000
115	S	A	-0.5709
116	S	A	-0.9238
117	G	A	-1.0645
118	G	A	-1.1235
119	G	A	-1.0997
120	G	A	-1.1336
121	S	A	-0.9893
122	G	A	-1.0852
123	G	A	-1.1915
124	G	A	-1.1793
125	G	A	-1.2087
126	S	A	-1.0300
127	G	A	-1.2717
128	G	A	-1.2035
129	G	A	-1.1004
130	G	A	-1.2099
131	S	A	-1.0724
132	G	A	-1.1686
133	G	A	-1.2272
134	G	A	-1.1779
135	G	A	-1.1100
136	S	A	-1.0600
137	D	A	-1.2797
138	I	A	-1.0064
139	Q	A	-1.6852
140	M	A	0.0000
141	T	A	-0.8306
142	Q	A	0.0000
143	S	A	-0.5171
144	P	A	-0.5205
145	S	A	-0.6263
146	S	A	-1.2121
147	L	A	-0.8891
148	S	A	-1.2052
149	A	A	0.0000
150	S	A	-0.6874
151	V	A	0.4098
152	G	A	-0.6888
153	D	A	-1.5277
154	R	A	-2.2432
155	V	A	0.0000
156	T	A	-0.5777
157	I	A	0.0000
158	T	A	-0.7233
159	C	A	0.0000
160	K	A	-2.2952
161	A	A	0.0000
162	S	A	-1.6889
163	Q	A	-1.9821
164	S	A	-1.2315
165	V	A	0.0000
166	S	A	-0.7269
167	N	A	-0.7949
168	D	A	-0.3049
169	V	A	0.0000
170	V	A	0.0000
171	W	A	0.0000
172	Y	A	0.0000
173	Q	A	0.0000
174	Q	A	0.0000
175	K	A	-1.7986
176	P	A	-1.2194
177	G	A	-1.7129
178	K	A	-2.6527
179	A	A	-1.6864
180	P	A	0.0000
181	K	A	-1.4631
182	L	A	0.0000
183	L	A	0.0000
184	I	A	0.0000
185	Y	A	0.0000
186	Y	A	-0.2644
187	A	A	0.0000
188	S	A	-1.0447
189	N	A	-1.4255
190	R	A	-1.2933
191	Y	A	-0.5565
192	T	A	-0.4678
193	G	A	-0.5119
194	V	A	-0.4546
195	P	A	-0.4236
196	S	A	-0.5830
197	R	A	-0.7386
198	F	A	0.0000
199	S	A	-0.7288
200	G	A	0.0000
201	S	A	-0.7816
202	G	A	-1.0499
203	S	A	-1.1740
204	G	A	-1.3494
205	T	A	-1.7638
206	D	A	-2.2866
207	F	A	0.0000
208	T	A	-0.6946
209	L	A	0.0000
210	T	A	-0.5633
211	I	A	0.0000
212	S	A	-1.3223
213	S	A	-1.1417
214	L	A	0.0000
215	Q	A	-0.6649
216	P	A	-0.8571
217	E	A	-1.2124
218	D	A	0.0000
219	F	A	-0.6391
220	A	A	0.0000
221	T	A	0.0000
222	Y	A	0.0000
223	F	A	0.0000
224	C	A	0.0000
225	Q	A	0.0000
226	Q	A	0.0000
227	D	A	-0.0430
228	Y	A	0.6669
229	S	A	0.1521
230	S	A	-0.3269
231	P	A	0.0000
232	W	A	0.0000
233	T	A	-0.2736
234	F	A	-0.0124
235	G	A	0.0000
236	C	A	0.6170
237	G	A	0.0000
238	T	A	0.0000
239	K	A	-2.0786
240	L	A	0.0000
241	E	A	-2.1202
242	I	A	-0.9393
243	K	A	-1.6272