Project name: RS926-236

Chain sequence(s)	B: QIQLVESGGGVVQPGGSLRLSCAHSGIRYSYYAIAWYRQAPGKQREFVALITNLDNTYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTAVYYCNVHGVWGQGTLVTVSS
Selected Chain(s)	B
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 B 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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -2.9806
• Maximal score value: 1.8297
• Average score: -0.6136
• Total score value: -68.1071

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	B	-1.7621
2	I	B	0.0000
3	Q	B	-1.0784
4	L	B	0.0000
5	V	B	0.8892
6	E	B	0.0000
7	S	B	-0.2339
8	G	B	-0.7233
9	G	B	0.2412
10	G	B	0.8047
11	V	B	1.6801
12	V	B	0.0555
13	Q	B	-1.3251
14	P	B	-1.7123
15	G	B	-1.5718
16	G	B	-1.0643
17	S	B	-1.5433
18	L	B	-1.0840
19	R	B	-2.3514
20	L	B	0.0000
21	S	B	-0.4627
22	C	B	0.0000
23	A	B	-0.3326
24	H	B	0.0000
25	S	B	-1.2840
26	G	B	-1.5596
27	I	B	-1.0904
28	R	B	-1.4961
29	Y	B	0.1402
30	S	B	0.3788
31	Y	B	1.4964
32	Y	B	0.7158
33	A	B	0.0990
34	I	B	0.0000
35	A	B	0.0000
36	W	B	0.0000
37	Y	B	0.2114
38	R	B	0.0000
39	Q	B	-1.2765
40	A	B	-1.4683
41	P	B	-1.2667
42	G	B	-1.7926
43	K	B	-2.9806
44	Q	B	-2.7746
45	R	B	-2.0724
46	E	B	-1.5099
47	F	B	-0.1082
48	V	B	0.0000
49	A	B	0.0000
50	L	B	0.5604
51	I	B	0.0000
52	T	B	0.0000
53	N	B	-0.0206
54	L	B	0.5040
55	D	B	-1.4288
56	N	B	-0.9647
57	T	B	0.0281
58	Y	B	0.7380
59	Y	B	0.0141
60	A	B	-0.8374
61	D	B	-2.2199
62	S	B	-1.6718
63	V	B	0.0000
64	K	B	-2.3975
65	G	B	-1.8016
66	R	B	-1.5372
67	F	B	0.0000
68	T	B	-0.8663
69	I	B	0.0000
70	S	B	-0.9737
71	R	B	-1.5135
72	D	B	-2.0950
73	N	B	-2.5809
74	S	B	-2.0814
75	K	B	-2.8112
76	N	B	-2.3756
77	T	B	0.0000
78	V	B	0.0000
79	Y	B	-0.7428
80	L	B	0.0000
81	Q	B	-1.7342
82	M	B	0.0000
83	N	B	-2.1536
84	S	B	-1.5721
85	L	B	0.0000
86	R	B	-2.6442
87	A	B	-1.8466
88	E	B	-2.3435
89	D	B	0.0000
90	T	B	-0.3685
91	A	B	0.0000
92	V	B	0.8296
93	Y	B	0.0000
94	Y	B	0.3848
95	C	B	0.0000
96	N	B	-0.0150
97	V	B	0.0000
98	H	B	-0.8497
99	G	B	-0.5529
100	V	B	-0.0422
101	W	B	0.3017
102	G	B	0.0108
103	Q	B	-0.8092
104	G	B	0.0000
105	T	B	0.6595
106	L	B	1.8297
107	V	B	0.0000
108	T	B	0.4560
109	V	B	0.0000
110	S	B	-0.6641
111	S	B	-0.6953