Project name: query_structure

Chain sequence(s)	A: MNIFRLTGDLSHLAAIIILLLKIWKSRSCAGISGKSQLLFALVFTTRYLDLFTSFISLYNTSMKLIYIACSYATVYLIYMKFKATYDGNHDTFRVEFLIVPVGGLSFLVNHDFSPLEILWTFSIYLESVAILPQLFMISKTGEAETITTHYLFFLGLYRALYLVNWIWRYYFEGFFDLIAVVAGVVQTVLYCDFFYLYVTKVLK; C: QVQLVESGGGLVQAGGSLRLSCAASGFPVKRWSMTWYRQAPGKEREWVAAIRSAGHWTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDEGDFSYWYDYWGQGTQVTVSA
Selected Chain(s)	A,C
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 all 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                                          (00:06:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:33)

• Minimal score value: -3.9532
• Maximal score value: 3.3136
• Average score: 0.0701
• Total score value: 22.7729

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	M	A	1.4632
2	N	A	0.8182
3	I	A	1.3008
4	F	A	1.2840
5	R	A	0.7108
6	L	A	0.7568
7	T	A	0.7706
8	G	A	0.0000
9	D	A	0.0000
10	L	A	1.0848
11	S	A	0.0000
12	H	A	0.0000
13	L	A	0.9598
14	A	A	0.8336
15	A	A	0.0000
16	I	A	1.0018
17	I	A	1.2054
18	I	A	0.7382
19	L	A	0.0000
20	L	A	0.7435
21	L	A	0.2570
22	K	A	-0.9339
23	I	A	0.0000
24	W	A	-0.8112
25	K	A	-2.0616
26	S	A	-1.8258
27	R	A	-2.5662
28	S	A	-1.7872
29	C	A	0.0000
30	A	A	-1.2565
31	G	A	0.0000
32	I	A	0.0000
33	S	A	0.0000
34	G	A	0.0000
35	K	A	-0.2116
36	S	A	0.0000
37	Q	A	0.4582
38	L	A	1.0629
39	L	A	0.0000
40	F	A	0.7096
41	A	A	0.0000
42	L	A	0.9206
43	V	A	0.0000
44	F	A	0.0000
45	T	A	0.7280
46	T	A	0.7353
47	R	A	0.4250
48	Y	A	0.0000
49	L	A	1.6950
50	D	A	0.9433
51	L	A	1.7757
52	F	A	2.5982
53	T	A	1.5233
54	S	A	1.3468
55	F	A	2.7986
56	I	A	1.5519
57	S	A	1.5105
58	L	A	2.1105
59	Y	A	1.3301
60	N	A	0.0000
61	T	A	1.6337
62	S	A	0.9773
63	M	A	0.9836
64	K	A	0.8134
65	L	A	1.3612
66	I	A	1.4226
67	Y	A	0.0000
68	I	A	1.0611
69	A	A	0.9966
70	C	A	1.2393
71	S	A	0.0000
72	Y	A	1.5546
73	A	A	1.0017
74	T	A	0.0000
75	V	A	0.9986
76	Y	A	1.1227
77	L	A	0.0000
78	I	A	0.0000
79	Y	A	0.2948
80	M	A	0.4545
81	K	A	-0.8286
82	F	A	-0.9687
83	K	A	-1.5244
84	A	A	-0.9118
85	T	A	-0.9001
86	Y	A	-0.7123
87	D	A	-1.3120
88	G	A	-1.3662
89	N	A	-1.7085
90	H	A	-1.2811
91	D	A	0.0000
92	T	A	-0.8525
93	F	A	-0.1143
94	R	A	-1.3411
95	V	A	0.1566
96	E	A	0.3350
97	F	A	1.7551
98	L	A	0.0000
99	I	A	1.4924
100	V	A	2.1869
101	P	A	1.3347
102	V	A	0.0000
103	G	A	1.4017
104	G	A	1.5144
105	L	A	2.1601
106	S	A	0.0000
107	F	A	3.3136
108	L	A	3.2617
109	V	A	2.4178
110	N	A	1.5149
111	H	A	0.1885
112	D	A	0.3614
113	F	A	2.3085
114	S	A	1.0329
115	P	A	0.6830
116	L	A	0.5804
117	E	A	0.0000
118	I	A	0.0000
119	L	A	1.3796
120	W	A	0.6287
121	T	A	0.0000
122	F	A	0.9580
123	S	A	0.0000
124	I	A	0.4872
125	Y	A	0.0000
126	L	A	0.0000
127	E	A	0.0000
128	S	A	0.0000
129	V	A	0.6293
130	A	A	0.0000
131	I	A	0.0000
132	L	A	0.8803
133	P	A	0.0000
134	Q	A	0.0000
135	L	A	0.0000
136	F	A	1.4846
137	M	A	0.0000
138	I	A	0.0000
139	S	A	-0.6623
140	K	A	-1.5758
141	T	A	-1.3177
142	G	A	-1.5935
143	E	A	-2.3298
144	A	A	0.0000
145	E	A	-2.1983
146	T	A	0.0000
147	I	A	0.0000
148	T	A	-0.5842
149	T	A	0.1209
150	H	A	-0.3682
151	Y	A	0.0000
152	L	A	0.0000
153	F	A	1.3677
154	F	A	1.1576
155	L	A	0.0000
156	G	A	0.9004
157	L	A	1.2693
158	Y	A	0.0000
159	R	A	0.0000
160	A	A	0.8171
161	L	A	1.2717
162	Y	A	1.3432
163	L	A	1.8217
164	V	A	1.9810
165	N	A	0.0000
166	W	A	2.0568
167	I	A	3.0520
168	W	A	2.7552
169	R	A	0.0000
170	Y	A	2.6972
171	Y	A	2.9731
172	F	A	2.6599
173	E	A	1.5226
174	G	A	0.0000
175	F	A	1.5200
176	F	A	1.5930
177	D	A	0.0000
178	L	A	2.3676
179	I	A	1.7988
180	A	A	1.6901
181	V	A	2.5035
182	V	A	3.0463
183	A	A	0.0000
184	G	A	0.0000
185	V	A	2.8123
186	V	A	2.7013
187	Q	A	0.0000
188	T	A	1.8551
189	V	A	2.3862
190	L	A	1.4757
191	Y	A	0.0000
192	C	A	1.2362
193	D	A	0.1749
194	F	A	0.0000
195	F	A	1.4546
196	Y	A	1.4503
197	L	A	0.7885
198	Y	A	0.0000
199	V	A	1.2146
200	T	A	0.2922
201	K	A	-0.8539
202	V	A	-0.5243
203	L	A	0.1420
204	K	A	-1.2022
2	Q	C	-1.2556
3	V	C	-0.9138
4	Q	C	-1.1262
5	L	C	0.0000
6	V	C	0.7782
7	E	C	0.0000
8	S	C	-0.6136
9	G	C	-1.1668
10	G	C	-0.6418
11	G	C	0.2722
12	L	C	1.1502
13	V	C	0.1218
14	Q	C	-1.1391
15	A	C	-1.2581
16	G	C	-1.2471
17	G	C	-0.8225
18	S	C	-1.2204
19	L	C	-0.9517
20	R	C	-2.2298
21	L	C	0.0000
22	S	C	-0.4746
23	C	C	0.0000
24	A	C	-0.4569
25	A	C	-0.7536
26	S	C	-0.9410
27	G	C	-0.7077
28	F	C	0.4363
29	P	C	-0.4332
30	V	C	-0.2984
31	K	C	-1.5967
32	R	C	-0.9046
33	W	C	-0.4880
34	S	C	0.0000
35	M	C	0.0000
36	T	C	0.0000
37	W	C	0.0000
38	Y	C	0.0000
39	R	C	0.0000
40	Q	C	-2.3198
41	A	C	-2.0679
42	P	C	-1.4567
43	G	C	-2.0358
44	K	C	-3.5245
45	E	C	-3.9532
46	R	C	-3.3473
47	E	C	-2.2488
48	W	C	-0.2816
49	V	C	0.0000
50	A	C	0.0000
51	A	C	0.0000
52	I	C	0.0000
53	R	C	0.0000
54	S	C	-0.8166
55	A	C	-0.6016
56	G	C	-0.6222
57	H	C	-1.1687
58	W	C	-0.2282
59	T	C	-0.1875
60	H	C	-0.2995
61	Y	C	-0.9435
62	A	C	-1.4020
63	D	C	-2.4725
64	S	C	-1.8352
65	V	C	0.0000
66	K	C	-2.6326
67	G	C	-1.7739
68	R	C	-1.4120
69	F	C	0.0000
70	T	C	-0.9602
71	I	C	0.0000
72	S	C	-0.6647
73	R	C	-1.6469
74	D	C	-2.1935
75	N	C	-2.6527
76	A	C	-1.9470
77	K	C	-2.9053
78	N	C	-2.7387
79	T	C	0.0000
80	V	C	0.0000
81	Y	C	-0.7842
82	L	C	0.0000
83	Q	C	-1.5657
84	M	C	0.0000
85	N	C	-1.4412
86	S	C	-1.1384
87	L	C	0.0000
88	K	C	-1.9513
89	P	C	-1.6875
90	E	C	-2.2087
91	D	C	0.0000
92	T	C	-0.7896
93	A	C	0.0000
94	V	C	-0.4030
95	Y	C	0.0000
96	Y	C	-0.2366
97	C	C	0.0000
98	N	C	0.0000
99	V	C	0.0000
100	K	C	-0.1186
101	D	C	0.0000
102	E	C	-0.6026
103	G	C	-0.6215
104	D	C	-0.3907
105	F	C	0.0000
106	S	C	0.1700
107	Y	C	0.0000
108	W	C	0.9393
109	Y	C	0.0000
110	D	C	-0.1379
111	Y	C	-0.1741
112	W	C	0.1549
113	G	C	-0.1419
114	Q	C	-0.8818
115	G	C	-0.4716
116	T	C	-0.5625
117	Q	C	-0.6491
118	V	C	0.0000
119	T	C	-0.1842
120	V	C	0.0000
121	S	C	-0.6794
122	A	C	-0.7459