Project name: b22e157d94e2de1

Chain sequence(s)	A: QVQLQESGPGNVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTKVTVSSGGGGSGGGGSGGGGSGGGGSDIQMTQSASPEGASPGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDNATYFCQHFDHLPLAFGGGTKVEIK
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                                          (00:03:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:08)

• Minimal score value: -3.0274
• Maximal score value: 1.1003
• Average score: -0.8211
• Total score value: -201.9925

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	-1.6327
2	V	A	-1.2886
3	Q	A	-1.9936
4	L	A	0.0000
5	Q	A	-1.8667
6	E	A	0.0000
7	S	A	-1.0169
8	G	A	-1.1424
9	P	A	-1.2636
10	G	A	-1.6584
11	N	A	-2.3287
12	V	A	0.0000
13	K	A	-2.6217
14	P	A	-1.6800
15	S	A	-1.2869
16	E	A	-1.7061
17	T	A	-1.4050
18	L	A	0.0000
19	S	A	-1.1276
20	L	A	0.0000
21	T	A	-0.7114
22	C	A	0.0000
23	T	A	-1.1636
24	V	A	0.0000
25	S	A	-1.4731
26	G	A	-1.3455
27	G	A	-1.0509
28	S	A	-0.6803
29	V	A	0.0000
30	S	A	-0.3639
31	S	A	-0.6526
32	G	A	-0.6672
33	D	A	-1.2556
34	Y	A	-0.0523
35	Y	A	0.2972
36	W	A	0.0000
37	T	A	0.0000
38	W	A	0.0000
39	I	A	0.0000
40	R	A	0.0000
41	Q	A	-0.9566
42	S	A	-1.0737
43	P	A	-0.9839
44	G	A	-1.4531
45	K	A	-2.2892
46	G	A	-1.4110
47	L	A	0.0000
48	E	A	-0.8996
49	W	A	0.0000
50	I	A	0.0000
51	G	A	0.0000
52	H	A	0.0000
53	I	A	0.0000
54	Y	A	-0.0157
55	Y	A	0.0490
56	S	A	-0.3364
57	G	A	-0.7446
58	N	A	-1.3360
59	T	A	-0.7450
60	N	A	-0.7844
61	Y	A	-0.5981
62	N	A	-0.6937
63	P	A	-0.9652
64	S	A	-0.9060
65	L	A	0.0000
66	K	A	-2.0627
67	S	A	-1.2994
68	R	A	-1.4442
69	L	A	0.0000
70	T	A	-1.1303
71	I	A	0.0000
72	S	A	-0.5655
73	I	A	-0.4588
74	D	A	-1.1008
75	T	A	-0.9507
76	S	A	-1.2757
77	K	A	-2.0832
78	T	A	-1.3539
79	Q	A	-1.2313
80	F	A	0.0000
81	S	A	-0.6523
82	L	A	0.0000
83	K	A	-1.8781
84	L	A	0.0000
85	S	A	-1.1473
86	S	A	-1.1882
87	V	A	0.0000
88	T	A	-0.6291
89	A	A	-0.2888
90	A	A	0.0226
91	D	A	0.0000
92	T	A	-0.4808
93	A	A	0.0000
94	I	A	-0.5484
95	Y	A	0.0000
96	Y	A	0.0000
97	C	A	0.0000
98	V	A	0.0000
99	R	A	-0.1765
100	D	A	0.0000
101	R	A	0.0637
102	V	A	1.1003
103	T	A	0.4595
104	G	A	0.3629
105	A	A	0.0000
106	F	A	0.0000
107	D	A	0.0000
108	I	A	-0.4366
109	W	A	-0.9575
110	G	A	0.0000
111	Q	A	-2.1761
112	G	A	-1.5031
113	T	A	-1.3783
114	K	A	-2.0694
115	V	A	0.0000
116	T	A	-1.2798
117	V	A	0.0000
118	S	A	-1.4126
119	S	A	-1.4298
120	G	A	-1.5219
121	G	A	-1.1457
122	G	A	-1.1207
123	G	A	-1.1302
124	S	A	-0.9181
125	G	A	-1.0583
126	G	A	-1.1595
127	G	A	-1.1320
128	G	A	-1.1489
129	S	A	-0.9987
130	G	A	-1.1738
131	G	A	-1.1769
132	G	A	-1.1990
133	G	A	-1.1717
134	S	A	-1.0387
135	G	A	-1.1770
136	G	A	-1.3720
137	G	A	-1.2584
138	G	A	-1.3521
139	S	A	-1.3801
140	D	A	-1.7710
141	I	A	0.0000
142	Q	A	-1.9643
143	M	A	0.0000
144	T	A	-1.1073
145	Q	A	-0.6073
146	S	A	-0.5608
147	A	A	-0.6517
148	S	A	-1.4983
149	P	A	-1.6655
150	E	A	-2.7123
151	G	A	-2.2257
152	A	A	0.0000
153	S	A	-1.9027
154	P	A	-1.6316
155	G	A	-1.6638
156	D	A	-2.1715
157	R	A	-2.4910
158	V	A	0.0000
159	T	A	-0.6646
160	I	A	0.0000
161	T	A	-0.7646
162	C	A	0.0000
163	Q	A	-2.4379
164	A	A	0.0000
165	S	A	-2.1473
166	Q	A	-2.8712
167	D	A	-2.9813
168	I	A	0.0000
169	S	A	-1.3945
170	N	A	-1.0999
171	Y	A	-0.2492
172	L	A	0.0000
173	N	A	0.0000
174	W	A	0.0000
175	Y	A	0.0000
176	Q	A	0.0000
177	Q	A	-1.5611
178	K	A	-1.9984
179	P	A	-1.3432
180	G	A	-1.7151
181	K	A	-2.6722
182	A	A	-1.7381
183	P	A	0.0000
184	K	A	-1.7148
185	L	A	0.0000
186	L	A	0.0000
187	I	A	0.0000
188	Y	A	-0.0425
189	D	A	-0.4405
190	A	A	0.0000
191	S	A	-0.6487
192	N	A	-0.6523
193	L	A	-0.0236
194	E	A	-0.3420
195	T	A	-0.2871
196	G	A	-0.4229
197	V	A	-0.2916
198	P	A	-0.3033
199	S	A	-0.3829
200	R	A	-0.7125
201	F	A	0.0000
202	S	A	-0.4197
203	G	A	-0.4216
204	S	A	-0.9617
205	G	A	-1.2350
206	S	A	-1.5085
207	G	A	-1.9487
208	T	A	-2.4746
209	D	A	-2.8587
210	F	A	0.0000
211	T	A	-0.8149
212	F	A	0.0000
213	T	A	-0.6097
214	I	A	0.0000
215	S	A	-1.3199
216	S	A	-1.5602
217	L	A	0.0000
218	Q	A	-1.6184
219	P	A	-1.7750
220	E	A	-1.8085
221	D	A	0.0000
222	N	A	-2.1147
223	A	A	0.0000
224	T	A	-1.2980
225	Y	A	0.0000
226	F	A	0.0000
227	C	A	0.0000
228	Q	A	0.0000
229	H	A	0.0000
230	F	A	0.0000
231	D	A	-1.0376
232	H	A	-0.6509
233	L	A	0.0062
234	P	A	-0.1986
235	L	A	0.0000
236	A	A	-0.5606
237	F	A	-0.3306
238	G	A	0.0000
239	G	A	-1.2593
240	G	A	-1.0231
241	T	A	0.0000
242	K	A	-2.3076
243	V	A	0.0000
244	E	A	-3.0274
245	I	A	-2.3971
246	K	A	-2.4348