Project name: 78df879aecdda88

Chain sequence(s)	A: QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSGGGGSGGGGSGGGGSALETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIK
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)

• Minimal score value: -3.483
• Maximal score value: 1.7578
• Average score: -0.5525
• Total score value: -135.3722

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
2	Q	A	-1.5053
3	V	A	-0.9161
4	Q	A	-1.3087
5	L	A	0.0000
6	V	A	0.1339
7	Q	A	0.0000
8	S	A	-0.3420
9	G	A	-0.9250
10	A	A	-0.3178
11	E	A	-0.5561
12	V	A	0.6365
13	K	A	-1.2475
14	K	A	-2.1803
15	P	A	-1.8296
16	G	A	-1.4327
17	S	A	-1.2601
18	S	A	-1.3789
19	V	A	0.0000
20	K	A	-2.0838
21	V	A	0.0000
22	S	A	-0.5959
23	C	A	0.0000
24	K	A	-1.0078
25	A	A	0.0000
26	S	A	-0.9874
27	G	A	-1.0329
28	Y	A	-0.4120
29	T	A	-0.4108
30	F	A	0.0000
31	S	A	-0.2201
32	S	A	-0.1253
33	N	A	0.2525
34	V	A	0.7177
35	I	A	0.0000
36	S	A	0.0000
37	W	A	0.0000
38	V	A	0.0000
39	R	A	0.0000
40	Q	A	-0.4369
41	A	A	-0.5811
42	P	A	-0.8475
43	G	A	-1.2236
44	Q	A	-1.8849
45	G	A	-1.3254
46	L	A	0.0000
47	E	A	-0.7952
48	W	A	0.0000
49	M	A	0.0000
50	G	A	0.0000
51	G	A	0.0000
52	V	A	0.0000
53	I	A	1.1685
54	P	A	0.8100
55	I	A	1.7578
56	V	A	1.0755
57	D	A	0.1572
58	I	A	1.6354
59	A	A	0.4942
60	N	A	-0.5900
61	Y	A	-1.1781
62	A	A	0.0000
63	Q	A	-2.2791
64	R	A	-1.9080
65	F	A	0.0000
66	K	A	-2.6354
67	G	A	-1.6653
68	R	A	-1.4549
69	V	A	0.0000
70	T	A	-0.9745
71	I	A	0.0000
72	T	A	-0.2226
73	A	A	-0.4359
74	D	A	-1.3780
75	E	A	-1.9345
76	S	A	-1.3506
77	T	A	-1.1635
78	S	A	-1.3497
79	T	A	0.0000
80	T	A	0.0000
81	Y	A	-0.6083
82	M	A	0.0000
83	E	A	-1.5579
84	L	A	0.0000
85	S	A	-1.0919
86	S	A	-1.0381
87	L	A	0.0000
88	R	A	-1.9927
89	S	A	-1.5604
90	E	A	-1.1121
91	D	A	0.0000
92	T	A	-0.0772
93	A	A	0.0000
94	V	A	0.8268
95	Y	A	0.0000
96	Y	A	0.0000
97	C	A	0.0000
98	A	A	0.0000
99	S	A	0.0000
100	T	A	0.0000
101	L	A	0.6440
102	G	A	0.5292
103	L	A	1.6049
104	V	A	1.2079
105	L	A	1.0331
106	D	A	0.4880
107	A	A	0.0000
108	M	A	0.0000
109	D	A	-0.1021
110	Y	A	0.2335
111	W	A	-0.2290
112	G	A	0.0000
113	Q	A	-1.2257
114	G	A	0.0000
115	T	A	0.4655
116	L	A	1.5578
117	V	A	0.0000
118	T	A	0.0852
119	V	A	0.0000
120	S	A	-1.1578
121	S	A	-1.4083
122	G	A	-1.3159
123	G	A	-1.0938
124	G	A	-1.1522
125	G	A	-1.1626
126	S	A	-1.0134
127	G	A	-1.1611
128	G	A	-1.4245
129	G	A	-1.4090
130	G	A	-1.3222
131	S	A	-1.0477
132	G	A	-1.2479
133	G	A	-1.2169
134	G	A	-1.0967
135	G	A	-1.1325
136	S	A	-0.6204
137	A	A	0.2425
138	L	A	1.1243
139	E	A	-0.4849
140	T	A	0.0000
141	V	A	0.8716
142	L	A	0.0000
143	T	A	-0.7846
144	Q	A	0.0000
145	S	A	-0.8817
146	P	A	-0.5032
147	G	A	-0.8531
148	T	A	-0.5757
149	L	A	-0.2197
150	S	A	-0.3460
151	L	A	-0.6118
152	S	A	-1.1209
153	P	A	-1.7139
154	G	A	-2.3471
155	E	A	-2.7007
156	R	A	-3.0314
157	A	A	0.0000
158	T	A	-0.6077
159	L	A	0.0000
160	S	A	-0.9238
161	C	A	0.0000
162	R	A	-2.3419
163	A	A	0.0000
164	S	A	-0.9723
165	Q	A	-1.6532
166	S	A	-1.3549
167	L	A	0.0000
168	G	A	-0.6359
169	S	A	-0.3636
170	S	A	0.1655
171	Y	A	0.4325
172	L	A	0.0000
173	A	A	0.0000
174	W	A	0.0000
175	Y	A	0.0000
176	Q	A	0.0000
177	Q	A	0.0000
178	K	A	-1.3352
179	P	A	-0.9378
180	G	A	-1.4014
181	Q	A	-2.0584
182	A	A	-1.3396
183	P	A	0.0000
184	R	A	-1.5079
185	L	A	0.0000
186	L	A	0.0000
187	I	A	0.0000
188	Y	A	-0.0765
189	G	A	-0.1581
190	A	A	0.0000
191	S	A	-0.7628
192	S	A	-0.8473
193	R	A	-1.7924
194	A	A	0.0000
195	P	A	-0.8447
196	G	A	-1.0215
197	I	A	0.0000
198	P	A	-1.3912
199	D	A	-2.4318
200	R	A	-2.0142
201	F	A	0.0000
202	S	A	-0.9627
203	G	A	0.0000
204	S	A	-0.6855
205	G	A	-1.1276
206	S	A	-1.1109
207	G	A	-1.2342
208	T	A	-1.7355
209	D	A	-2.1477
210	F	A	0.0000
211	T	A	-0.7800
212	L	A	0.0000
213	T	A	-0.7810
214	I	A	0.0000
215	S	A	-2.3949
216	R	A	-3.4830
217	L	A	0.0000
218	E	A	-2.4830
219	P	A	-1.5276
220	E	A	-2.3377
221	D	A	0.0000
222	F	A	0.0000
223	A	A	0.0000
224	V	A	-0.2291
225	Y	A	0.0000
226	Y	A	0.0000
227	C	A	0.0000
228	Q	A	0.0000
229	Q	A	0.0000
230	Y	A	-0.0819
231	A	A	-0.6617
232	D	A	-1.9182
233	S	A	-1.1605
234	P	A	-0.9247
235	I	A	0.0000
236	T	A	0.0000
237	F	A	0.0899
238	G	A	0.0000
239	Q	A	-1.3874
240	G	A	0.0000
241	T	A	0.0000
242	R	A	-0.8341
243	L	A	0.0000
244	E	A	-0.3751
245	I	A	0.7090
246	K	A	-0.9407