Project name: 400f06052236791

Chain sequence(s)	H: DVQLQASGGGSVQAGGSLRLSCAASGYTIGPYCMGWFRQAPGKEREGVAAINMGGGITYYADSVKGRFTISQDNAKNTVYLLMNSLEPEDTAIYYCAADSTIYASYYECGHGLSTGGYGYDSWGQGTQVTVSS
Selected Chain(s)	H
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 H 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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.1629
• Maximal score value: 2.1467
• Average score: -0.6093
• Total score value: -81.0354

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	D	H	-1.9693
2	V	H	-1.4761
3	Q	H	-1.8935
4	L	H	0.0000
5	Q	H	-1.6919
6	A	H	-1.0095
7	S	H	-0.9851
8	G	H	-0.9585
9	G	H	-0.9169
11	G	H	-0.6808
12	S	H	-0.5909
13	V	H	-0.7084
14	Q	H	-1.5962
15	A	H	-1.6566
16	G	H	-1.3291
17	G	H	-1.0469
18	S	H	-0.9538
19	L	H	-0.6658
20	R	H	-1.4117
21	L	H	0.0000
22	S	H	-0.6486
23	C	H	0.0000
24	A	H	-1.1859
25	A	H	0.0000
26	S	H	-1.2837
27	G	H	-0.8777
28	Y	H	0.0973
29	T	H	0.8772
30	I	H	2.1467
35	G	H	0.9579
36	P	H	0.0000
37	Y	H	0.7090
38	C	H	0.0000
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	0.0000
43	R	H	0.0000
44	Q	H	-1.6111
45	A	H	-1.5824
46	P	H	-1.1213
47	G	H	-1.7386
48	K	H	-2.7654
49	E	H	-3.1629
50	R	H	-2.2144
51	E	H	-1.5463
52	G	H	-0.7975
53	V	H	0.0000
54	A	H	0.0000
55	A	H	0.0000
56	I	H	0.0000
57	N	H	0.0000
58	M	H	0.0000
59	G	H	-0.8309
62	G	H	-0.5972
63	G	H	-0.4443
64	I	H	0.4431
65	T	H	0.2693
66	Y	H	-0.3110
67	Y	H	-0.8364
68	A	H	-1.2881
69	D	H	-2.4417
70	S	H	-1.7084
71	V	H	0.0000
72	K	H	-2.5857
74	G	H	-1.7533
75	R	H	-1.5191
76	F	H	0.0000
77	T	H	-0.4906
78	I	H	0.0000
79	S	H	-0.3666
80	Q	H	-1.3961
81	D	H	-2.1047
82	N	H	-2.5577
83	A	H	-1.7179
84	K	H	-2.4996
85	N	H	-1.5837
86	T	H	-1.4773
87	V	H	0.0000
88	Y	H	-0.3256
89	L	H	0.0000
90	L	H	-0.2356
91	M	H	0.0000
92	N	H	-1.0892
93	S	H	-1.2072
94	L	H	0.0000
95	E	H	-2.2860
96	P	H	-1.8234
97	E	H	-2.2694
98	D	H	0.0000
99	T	H	-0.9948
100	A	H	0.0000
101	I	H	-0.0368
102	Y	H	0.0000
103	Y	H	-0.0217
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	D	H	0.0000
108	S	H	0.2752
109	T	H	0.7072
110	I	H	2.1297
111	Y	H	1.3476
111A	A	H	0.8061
111B	S	H	0.7558
111C	Y	H	1.3754
111D	Y	H	0.5858
111E	E	H	-0.4139
111F	C	H	0.0000
112G	G	H	-0.6014
112F	H	H	-1.1344
112E	G	H	0.0000
112D	L	H	0.0000
112C	S	H	-0.5237
112B	T	H	-0.3663
112A	G	H	-0.7881
112	G	H	-0.3168
113	Y	H	0.5115
114	G	H	-0.3932
115	Y	H	0.0000
116	D	H	-1.5695
117	S	H	-1.1015
118	W	H	-0.5718
119	G	H	0.0000
120	Q	H	-1.3236
121	G	H	-0.6712
122	T	H	-0.5653
123	Q	H	-0.7529
124	V	H	0.0000
125	T	H	-0.8366
126	V	H	0.0000
127	S	H	-1.1806
128	S	H	-1.0426