Project name: Hb17

Chain sequence(s)	A: QRVEQTPTTTTKEAGESLTINCVLKGSSCASFSTYWYFTKKGATKKASLSTGGRYSDTKNKASKSFSLRISDLRVEDSGTYHCEAYSFRIYSWEAGDCSGSYEGGGTILTVK
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -3.3272
• Maximal score value: 1.669
• Average score: -0.9084
• Total score value: -101.7414

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	Q	A	-2.2960
2	R	A	-3.0942
3	V	A	0.0000
4	E	A	-2.0204
5	Q	A	0.0000
6	T	A	-0.4890
7	P	A	-0.3014
8	T	A	-0.1182
9	T	A	0.1990
10	T	A	0.0080
11	T	A	-0.8888
12	K	A	-2.1315
13	E	A	-3.3272
14	A	A	-2.6661
15	G	A	-2.6917
16	E	A	-2.8845
17	S	A	-2.0754
18	L	A	0.0000
19	T	A	-0.8203
20	I	A	0.0000
21	N	A	-1.1066
22	C	A	0.0000
23	V	A	-1.2385
24	L	A	0.0000
25	K	A	-2.2736
26	G	A	-1.6944
27	S	A	0.0000
28	S	A	-0.9430
29	C	A	0.0000
30	A	A	-0.0080
31	S	A	0.0000
32	F	A	0.0000
33	S	A	-0.1784
34	T	A	-0.2028
35	Y	A	0.2559
36	W	A	0.0000
37	Y	A	-0.2875
38	F	A	0.0000
39	T	A	-2.0233
40	K	A	-2.9404
41	K	A	-2.8386
42	G	A	-1.8355
43	A	A	-1.9625
44	T	A	-1.8367
45	K	A	-2.8681
46	K	A	-2.4713
47	A	A	-1.2887
48	S	A	-0.2996
49	L	A	-0.0531
50	S	A	-0.2840
51	T	A	-0.6878
52	G	A	-0.9039
53	G	A	-0.8824
54	R	A	-1.3673
55	Y	A	-1.1475
56	S	A	-1.1535
57	D	A	-1.3913
58	T	A	-1.8522
59	K	A	-2.9551
60	N	A	-2.9526
61	K	A	-2.8853
62	A	A	-1.5425
63	S	A	-1.5179
64	K	A	-1.9003
65	S	A	-1.7672
66	F	A	0.0000
67	S	A	-1.2859
68	L	A	0.0000
69	R	A	-1.5984
70	I	A	0.0000
71	S	A	-2.0099
72	D	A	-3.0174
73	L	A	0.0000
74	R	A	-2.4264
75	V	A	-0.5228
76	E	A	-1.8718
77	D	A	0.0000
78	S	A	-1.3303
79	G	A	0.0000
80	T	A	-0.6294
81	Y	A	0.0000
82	H	A	-0.5267
83	C	A	0.0000
84	E	A	-0.8118
85	A	A	0.0000
86	Y	A	0.3863
87	S	A	0.0000
88	F	A	0.1757
89	R	A	-0.0180
90	I	A	1.5990
91	Y	A	1.6690
92	S	A	0.9520
93	W	A	1.3256
94	E	A	0.3002
95	A	A	-0.3730
96	G	A	-1.3624
97	D	A	-2.1942
98	C	A	0.0000
99	S	A	-0.6833
100	G	A	-0.5698
101	S	A	-0.4949
102	Y	A	-1.4108
103	E	A	-1.9068
104	G	A	0.0000
105	G	A	-1.1732
106	G	A	0.0000
107	T	A	0.0000
108	I	A	0.3708
109	L	A	0.0000
110	T	A	-0.9339
111	V	A	0.0000
112	K	A	-2.4857