Project name: HHB17

Chain sequence(s)	A: QRVEQSPSSLSASVGDRVTITCVLKGSSCASFSTYWYFTKPGATKKASLSTGGRYSDTKNKASKSFTLTISSLQPEDFATYYCEAYSFRIYSWEAGDCSGSYEGGGTKVEIK
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.0604
• Maximal score value: 1.6259
• Average score: -0.7216
• Total score value: -80.8145

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	-2.1429
2	R	A	-3.0604
3	V	A	0.0000
4	E	A	-1.9479
5	Q	A	-1.2067
6	S	A	-0.8133
7	P	A	-0.7911
8	S	A	-1.0107
9	S	A	-1.3026
10	L	A	-0.8776
11	S	A	-1.1520
12	A	A	0.0000
13	S	A	-0.1562
14	V	A	0.6186
15	G	A	-0.4484
16	D	A	-1.3716
17	R	A	-2.1663
18	V	A	0.0000
19	T	A	-0.6486
20	I	A	0.0000
21	T	A	-0.3962
22	C	A	0.0000
23	V	A	-1.0108
24	L	A	0.0000
25	K	A	-2.2309
26	G	A	-1.6623
27	S	A	-1.4391
28	S	A	-1.1423
29	C	A	0.0000
30	A	A	-0.3434
31	S	A	-0.1291
32	F	A	0.0000
33	S	A	0.1461
34	T	A	-0.1071
35	Y	A	0.2573
36	W	A	0.0000
37	Y	A	0.0224
38	F	A	-0.3978
39	T	A	-1.2261
40	K	A	-1.6557
41	P	A	-0.9217
42	G	A	-0.9702
43	A	A	-1.2096
44	T	A	-1.4113
45	K	A	-2.3790
46	K	A	-1.9031
47	A	A	-0.9201
48	S	A	-0.3298
49	L	A	0.0611
50	S	A	-0.3238
51	T	A	-0.5958
52	G	A	-0.9314
53	G	A	-0.9441
54	R	A	-1.0804
55	Y	A	-0.5855
56	S	A	-0.7338
57	D	A	-0.8875
58	T	A	-1.2863
59	K	A	-2.1905
60	N	A	-2.5774
61	K	A	-2.6856
62	A	A	-1.4349
63	S	A	-1.3976
64	K	A	-1.7007
65	S	A	-1.4181
66	F	A	0.0000
67	T	A	-0.6569
68	L	A	0.0000
69	T	A	-0.6966
70	I	A	0.0000
71	S	A	-1.3152
72	S	A	-0.9814
73	L	A	0.0000
74	Q	A	-0.9189
75	P	A	-0.9148
76	E	A	-2.0164
77	D	A	0.0000
78	F	A	0.0000
79	A	A	0.0000
80	T	A	0.0000
81	Y	A	0.0000
82	Y	A	-0.4214
83	C	A	0.0000
84	E	A	-0.8200
85	A	A	0.0000
86	Y	A	0.2192
87	S	A	0.0000
88	F	A	-0.1345
89	R	A	-0.6961
90	I	A	1.6259
91	Y	A	1.4164
92	S	A	0.7057
93	W	A	1.2113
94	E	A	0.1392
95	A	A	-0.5168
96	G	A	-1.5142
97	D	A	-2.3374
98	C	A	0.0000
99	S	A	-0.8033
100	G	A	-0.8051
101	S	A	-0.5042
102	Y	A	-1.4663
103	E	A	-2.0878
104	G	A	0.0000
105	G	A	-1.4559
106	G	A	0.0000
107	T	A	0.0000
108	K	A	-2.1382
109	V	A	0.0000
110	E	A	-1.6696
111	I	A	0.3383
112	K	A	-1.0497