Project name: phc

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAVSGDSISSYSWNWIRQAPGKCLEWVASIRYSSSYTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARDRLVSSITIGSGPAWFDYWGQGTLVTVSS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -2.6154
• Maximal score value: 2.698
• Average score: -0.3513
• Total score value: -44.6197

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	E	A	-2.3289
2	V	A	-1.5421
3	Q	A	-1.6321
4	L	A	0.0000
5	V	A	0.0214
6	E	A	0.0000
7	S	A	-0.5417
8	G	A	-1.0389
9	G	A	-0.0328
10	G	A	0.6279
11	L	A	1.3951
12	V	A	-0.0438
13	Q	A	-1.2544
14	P	A	-1.4684
15	G	A	-1.3525
16	G	A	-1.0928
17	S	A	-1.3969
18	L	A	-1.2742
19	R	A	-2.3938
20	L	A	0.0000
21	S	A	-0.6240
22	C	A	0.0000
23	A	A	-0.4022
24	V	A	0.0000
25	S	A	-1.1627
26	G	A	-1.7744
27	D	A	-1.5131
28	S	A	-1.0364
29	I	A	0.0000
30	S	A	-0.4747
31	S	A	0.5227
32	Y	A	0.4270
33	S	A	0.0000
34	W	A	0.0000
35	N	A	0.0000
36	W	A	0.0000
37	I	A	0.0000
38	R	A	0.1504
39	Q	A	-0.0976
40	A	A	-0.7403
41	P	A	-0.8825
42	G	A	-1.1999
43	K	A	-1.5412
44	C	A	0.1400
45	L	A	0.8756
46	E	A	0.0752
47	W	A	0.1560
48	V	A	0.0000
49	A	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	R	A	0.0000
53	Y	A	0.6986
54	S	A	0.9644
55	S	A	0.2717
56	S	A	0.0376
57	Y	A	0.5474
58	T	A	0.0404
59	N	A	-0.4953
60	Y	A	-0.7287
61	N	A	-0.8728
62	P	A	-1.1920
63	S	A	-0.9637
64	V	A	0.0000
65	K	A	-2.2322
66	G	A	-1.6410
67	R	A	-1.5497
68	I	A	0.0000
69	T	A	-1.0149
70	I	A	0.0000
71	S	A	-0.5846
72	R	A	-1.2320
73	D	A	-2.0478
74	D	A	-2.5356
75	S	A	-2.0445
76	K	A	-2.6154
77	N	A	-2.0897
78	T	A	0.0000
79	F	A	0.0000
80	Y	A	-0.6971
81	L	A	0.0000
82	Q	A	-1.7754
83	M	A	0.0000
84	N	A	-1.6022
85	S	A	-1.2687
86	L	A	0.0000
87	R	A	-2.1802
88	A	A	-1.6754
89	E	A	-2.2192
90	D	A	0.0000
91	T	A	-0.3908
92	A	A	0.0000
93	V	A	0.8026
94	Y	A	0.0000
95	Y	A	0.3899
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	D	A	0.0000
100	R	A	-1.0562
101	L	A	0.7788
102	V	A	1.3324
103	S	A	0.0000
104	S	A	1.5289
105	I	A	2.6980
106	T	A	2.2344
107	I	A	2.5031
108	G	A	0.7742
109	S	A	0.0284
110	G	A	-0.2418
111	P	A	-0.0254
112	A	A	0.1556
113	W	A	0.8031
114	F	A	0.2154
115	D	A	-0.4187
116	Y	A	0.0771
117	W	A	0.2925
118	G	A	-0.2849
119	Q	A	-1.0072
120	G	A	-0.0647
121	T	A	0.4632
122	L	A	1.6556
123	V	A	0.0000
124	T	A	0.4053
125	V	A	0.0000
126	S	A	-0.6779
127	S	A	-0.4416