Project name: query_structure

Chain sequence(s)	A: KGEELFTGVVPILVELDDGDVNGHKFSVSGEGEEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITL; C: QVQLVESGGGLVQAGGSLRLSCAASGRTFSTSAMGWFRQAPGREREFVAAITWTVGNTIYGDSMKGRFTISRDRTKNTVDLQQMDSLKPEDTAVYYCTARSRGFVLSDLRSVDSFDYKGQGTQVTVS
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]                                                (00:00:00)
[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 all 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                                          (00:06:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:57)

• Minimal score value: -3.9226
• Maximal score value: 1.3676
• Average score: -0.8191
• Total score value: -288.3279

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
3	K	A	-2.4298
4	G	A	0.0000
5	E	A	-2.2673
6	E	A	-2.5823
7	L	A	-1.1504
8	F	A	0.0000
9	T	A	-0.5137
10	G	A	0.3586
11	V	A	1.1195
12	V	A	0.0000
13	P	A	-1.2343
14	I	A	0.0000
15	L	A	-0.8178
16	V	A	0.0000
17	E	A	-1.1251
18	L	A	0.0000
19	D	A	-2.9158
20	G	A	0.0000
21	D	A	-2.7619
22	V	A	0.0000
23	N	A	-2.1118
24	G	A	-1.8035
25	H	A	-2.4554
26	K	A	-3.0908
27	F	A	0.0000
28	S	A	-1.6079
29	V	A	0.0000
30	S	A	-0.8406
31	G	A	0.0000
32	E	A	-2.4538
33	G	A	-2.0255
34	E	A	-2.0215
35	G	A	0.0000
36	D	A	0.0975
37	A	A	0.0000
38	T	A	0.3204
39	Y	A	1.2250
40	G	A	0.0000
41	K	A	0.0494
42	L	A	0.0000
43	T	A	-0.8899
44	L	A	0.0000
45	K	A	-1.4982
46	F	A	0.0000
47	I	A	-1.0139
48	C	A	0.0000
49	T	A	-0.7164
50	T	A	-1.1162
51	G	A	-1.6248
52	K	A	-2.2397
53	L	A	0.0000
54	P	A	-1.1810
55	V	A	0.0000
56	P	A	0.0000
57	W	A	0.0000
58	P	A	0.0000
59	T	A	0.0000
60	L	A	0.0000
61	V	A	0.0000
62	T	A	-0.0018
63	T	A	0.0000
64	L	A	0.0000
68	V	A	0.1451
69	Q	A	-0.1398
70	C	A	0.0000
71	F	A	0.0000
72	S	A	0.0000
73	R	A	-0.8182
74	Y	A	0.0000
75	P	A	-1.6120
76	D	A	-2.6028
77	H	A	-1.4889
78	M	A	0.0000
79	K	A	-3.0412
80	Q	A	-2.3968
81	H	A	-1.5731
82	D	A	0.0000
83	F	A	0.0000
84	F	A	0.0000
85	K	A	0.0000
86	S	A	-1.0095
87	A	A	0.0000
88	M	A	0.0000
89	P	A	0.0000
90	E	A	-0.8057
91	G	A	0.0000
92	Y	A	0.0000
93	V	A	-0.4392
94	Q	A	0.0000
95	E	A	-2.0988
96	R	A	0.0000
97	T	A	-0.4084
98	I	A	0.0000
99	F	A	0.3694
100	F	A	0.0000
101	K	A	-1.9510
102	D	A	-2.6490
103	D	A	-2.3796
104	G	A	0.0000
105	N	A	-0.6650
106	Y	A	0.0000
107	K	A	-1.5998
108	T	A	0.0000
109	R	A	-3.0460
110	A	A	0.0000
111	E	A	0.0000
112	V	A	0.0000
113	K	A	0.0000
114	F	A	0.0000
115	E	A	0.0000
116	G	A	0.0000
117	D	A	-1.5687
118	T	A	-0.7983
119	L	A	0.0000
120	V	A	0.0000
121	N	A	0.0000
122	R	A	-0.9608
123	I	A	0.0000
124	E	A	-3.0421
125	L	A	0.0000
126	K	A	-2.7031
127	G	A	0.0000
128	I	A	-1.0067
129	D	A	-2.2208
130	F	A	0.0000
131	K	A	-3.9226
132	E	A	-3.9154
133	D	A	-3.4762
134	G	A	-2.7519
135	N	A	-1.9144
136	I	A	0.0000
137	L	A	-1.7164
138	G	A	-2.0080
139	H	A	-1.6242
140	K	A	-2.1513
141	L	A	-1.3674
142	E	A	-1.5809
143	Y	A	-0.5531
144	N	A	-0.4122
145	Y	A	-0.5840
146	N	A	-0.8614
147	S	A	-0.8757
148	H	A	0.0000
149	N	A	-1.4074
150	V	A	0.0000
151	Y	A	-0.0151
152	I	A	0.0000
153	M	A	-0.9579
154	A	A	-1.6847
155	D	A	0.0000
156	K	A	-3.1485
157	Q	A	-3.1068
158	K	A	-3.3843
159	N	A	-2.7622
160	G	A	0.0000
161	I	A	0.0000
162	K	A	-1.2139
163	V	A	0.0000
164	N	A	-0.7360
165	F	A	0.0000
166	K	A	-1.5894
167	I	A	0.0000
168	R	A	-1.0144
169	H	A	0.0000
170	N	A	-1.1161
171	I	A	0.0000
172	E	A	-3.1690
173	D	A	-2.9906
174	G	A	-1.8714
175	S	A	-0.8338
176	V	A	0.1461
177	Q	A	0.0000
178	L	A	-0.6466
179	A	A	0.0000
180	D	A	-0.7395
181	H	A	0.0000
182	Y	A	0.3125
183	Q	A	0.0000
184	Q	A	-1.3868
185	N	A	0.0000
186	T	A	-0.8136
187	P	A	-0.7734
188	I	A	-0.4050
189	G	A	-1.1921
190	D	A	-2.1687
191	G	A	-1.3777
192	P	A	-0.9023
193	V	A	-0.4152
194	L	A	-0.1276
195	L	A	-0.5899
196	P	A	0.0000
197	D	A	-2.2643
198	N	A	-1.6602
199	H	A	0.0000
200	Y	A	-0.0268
201	L	A	0.0000
202	S	A	-0.4970
203	T	A	-0.5691
204	Q	A	-0.8889
205	S	A	-0.2439
206	A	A	0.1318
207	L	A	-0.0576
208	S	A	-0.7036
209	K	A	-1.7676
210	D	A	-2.0073
211	P	A	-1.7566
212	N	A	-2.3715
213	E	A	-2.5548
214	K	A	-2.9373
215	R	A	-2.9240
216	D	A	-2.1157
217	H	A	0.0000
218	M	A	0.0000
219	V	A	-0.3923
220	L	A	0.0000
221	L	A	0.2404
222	E	A	0.2634
223	F	A	0.9843
224	V	A	0.0000
225	T	A	-0.1045
226	A	A	0.0000
227	A	A	-0.0883
228	G	A	-0.1898
229	I	A	0.2692
230	T	A	0.7359
231	L	A	1.2422
3	Q	C	-2.1115
4	V	C	-1.9807
5	Q	C	-1.7362
6	L	C	0.0000
7	V	C	0.9888
8	E	C	0.0000
9	S	C	-0.6698
10	G	C	-1.3095
11	G	C	-0.8691
12	G	C	-0.0783
13	L	C	1.0568
14	V	C	0.0609
15	Q	C	-1.1799
16	A	C	-1.4018
17	G	C	-1.3565
18	G	C	-0.9509
19	S	C	-1.3942
20	L	C	-1.0282
21	R	C	-2.3680
22	L	C	0.0000
23	S	C	-0.6678
24	C	C	0.0000
25	A	C	-0.0577
26	A	C	-0.6125
27	S	C	-1.2444
28	G	C	-1.9439
29	R	C	-2.4014
30	T	C	-1.2771
31	F	C	-0.4949
32	S	C	0.0000
33	T	C	0.0000
34	S	C	0.0000
35	A	C	0.0000
36	M	C	0.0000
37	G	C	0.0000
38	W	C	0.0000
39	F	C	0.0000
40	R	C	-1.4625
41	Q	C	-2.3127
42	A	C	-2.0732
43	P	C	-1.4973
44	G	C	-2.0507
45	R	C	-3.5487
46	E	C	-3.7256
47	R	C	-3.0911
48	E	C	-2.9599
49	F	C	0.0000
50	V	C	0.0000
51	A	C	0.0000
52	A	C	0.0000
53	I	C	0.0000
54	T	C	0.0000
55	W	C	0.0000
56	T	C	0.0000
57	V	C	1.3676
58	G	C	-0.0746
59	N	C	-0.7801
60	T	C	-0.3416
61	I	C	-0.7667
62	Y	C	-1.1969
63	G	C	0.0000
64	D	C	-2.3536
65	S	C	-1.6287
66	M	C	0.0000
67	K	C	-2.5160
68	G	C	-1.8901
69	R	C	-1.6613
70	F	C	0.0000
71	T	C	-1.0900
72	I	C	0.0000
73	S	C	-0.7793
74	R	C	-1.2142
75	D	C	-1.6287
76	R	C	-1.6094
77	T	C	-1.4671
78	K	C	-2.2526
79	N	C	-1.5008
80	T	C	-0.9692
81	V	C	0.0000
82	D	C	-1.1284
83	L	C	0.0000
84	Q	C	-1.5689
85	M	C	0.0000
86	D	C	-2.0393
87	S	C	-1.4285
88	L	C	0.0000
89	K	C	-2.1846
90	P	C	-1.8043
91	E	C	-2.2578
92	D	C	0.0000
93	T	C	-0.9345
94	A	C	0.0000
95	V	C	-0.3913
96	Y	C	0.0000
97	Y	C	-0.4843
98	C	C	0.0000
99	T	C	0.0000
100	A	C	0.0000
101	R	C	-0.4622
102	S	C	-0.5160
103	R	C	-0.8157
104	G	C	0.0000
105	F	C	0.0000
106	V	C	0.0900
107	L	C	-0.4323
108	S	C	-0.6658
109	D	C	-1.0941
110	L	C	0.0000
111	R	C	-2.1359
112	S	C	-1.7189
113	V	C	-1.6024
114	D	C	-2.2962
115	S	C	-1.2284
116	F	C	-0.7068
117	D	C	-1.0398
118	Y	C	-1.1700
119	K	C	-1.6422
120	G	C	0.0000
121	Q	C	-1.1533
122	G	C	-0.7606
123	T	C	-0.6894
124	Q	C	-1.0142
125	V	C	0.0000
126	T	C	-0.2826
127	V	C	0.0000
128	S	C	-0.7846