Project name: 5ai-ASTKGP-141VHH

Chain sequence(s)	A: ASTKGPEVQLVESGGGLVQPGGSLRLSCAASLEHVAIGWFRQAPGKEREGVSCISSSGGHIHYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTAVYYCAAAVSYWECYDKLDYWGQGTLVTVSSPP
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -2.3146
• Maximal score value: 1.6172
• Average score: -0.3075
• Total score value: -39.0523

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	A	A	0.0199
2	S	A	-0.2152
3	T	A	-0.4177
4	K	A	-1.7976
5	G	A	-0.8211
6	P	A	-0.6705
7	E	A	-1.8663
8	V	A	0.0000
9	Q	A	-1.1983
10	L	A	0.0000
11	V	A	1.3740
12	E	A	0.0337
13	S	A	-0.2467
14	G	A	-0.3472
15	G	A	-0.2648
16	G	A	0.0711
17	L	A	1.5125
18	V	A	0.0000
19	Q	A	-1.2343
20	P	A	-0.4994
21	G	A	-0.5274
22	G	A	-0.1826
23	S	A	-0.1767
24	L	A	-0.1335
25	R	A	-1.8512
26	L	A	0.0000
27	S	A	-0.0118
28	C	A	0.0000
29	A	A	0.0250
30	A	A	0.0000
31	S	A	-0.1446
32	L	A	0.0113
33	E	A	-1.8677
34	H	A	-0.9763
35	V	A	0.0000
36	A	A	0.0000
37	I	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.3326
41	R	A	0.0000
42	Q	A	-0.5301
43	A	A	-0.1110
44	P	A	-0.3373
45	G	A	-0.8144
46	K	A	-2.1215
47	E	A	-2.3146
48	R	A	-1.5599
49	E	A	-1.3459
50	G	A	-0.4238
51	V	A	0.0000
52	S	A	0.0000
53	C	A	0.0000
54	I	A	0.0000
55	S	A	0.0000
56	S	A	0.0000
57	S	A	-0.2405
58	G	A	-0.2747
59	G	A	-0.6724
60	H	A	-0.8149
61	I	A	1.1369
62	H	A	-0.2074
63	Y	A	0.1383
64	A	A	-0.2715
65	D	A	-1.8254
66	S	A	-0.5320
67	V	A	0.0000
68	K	A	-1.7843
69	G	A	-0.8218
70	R	A	-0.3538
71	F	A	0.0000
72	T	A	-0.0827
73	I	A	0.0000
74	S	A	-0.1561
75	R	A	-0.3722
76	D	A	-0.7944
77	N	A	-1.4367
78	S	A	-0.7459
79	K	A	-1.7909
80	N	A	-0.7369
81	T	A	0.0000
82	V	A	0.0000
83	Y	A	0.1453
84	L	A	0.0000
85	Q	A	-0.6211
86	M	A	0.0000
87	N	A	-0.5671
88	S	A	-0.2445
89	L	A	0.0000
90	R	A	-1.2305
91	A	A	-0.4906
92	E	A	-1.8096
93	D	A	0.0000
94	T	A	-0.0167
95	A	A	0.0000
96	V	A	0.7386
97	Y	A	0.0000
98	Y	A	0.1401
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	A	A	0.0000
103	V	A	1.4684
104	S	A	0.2712
105	Y	A	0.6966
106	W	A	1.1373
107	E	A	-0.5414
108	C	A	0.1850
109	Y	A	1.1525
110	D	A	-1.0594
111	K	A	-1.8326
112	L	A	-0.3837
113	D	A	-1.6993
114	Y	A	0.0078
115	W	A	0.5300
116	G	A	-0.1862
117	Q	A	-1.2278
118	G	A	-0.2974
119	T	A	0.2558
120	L	A	1.6172
121	V	A	0.0000
122	T	A	0.1668
123	V	A	0.0000
124	S	A	-0.1658
125	S	A	-0.2823
126	P	A	-0.3394
127	P	A	-0.3009