Project name: 1B6

Chain sequence(s)	H: QLQLVESGGGLVQAGGSLRLSCAASGLTVGYLAIGWFRQAPGKEREGVSCISRSDGSTYYADSVKGRFTISSDNAKNTVYLQMNSLKPEDTAVYYCATDCTIVSPEFIDYWGKGTLVTVSS
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]                                                (00:00:00)
[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 H 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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -3.1736
• Maximal score value: 2.7806
• Average score: -0.5147
• Total score value: -62.273

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	H	-1.3563
2	L	H	-0.6597
3	Q	H	-0.8725
4	L	H	0.0000
5	V	H	0.4425
6	E	H	0.0000
7	S	H	-0.1622
8	G	H	-0.6509
9	G	H	0.2482
11	G	H	0.8170
12	L	H	1.5229
13	V	H	0.1170
14	Q	H	-1.1972
15	A	H	-1.3754
16	G	H	-1.2728
17	G	H	-0.8383
18	S	H	-0.9597
19	L	H	-0.4696
20	R	H	-1.3051
21	L	H	0.0000
22	S	H	-0.2710
23	C	H	0.0000
24	A	H	-0.2629
25	A	H	-0.3625
26	S	H	-0.5350
27	G	H	-0.8507
28	L	H	-0.1348
29	T	H	-0.1896
30	V	H	0.0000
35	G	H	-0.2793
36	Y	H	0.9103
37	L	H	0.4781
38	A	H	0.0301
39	I	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	-1.3385
45	A	H	-1.3842
46	P	H	-1.1651
47	G	H	-1.7801
48	K	H	-2.9313
49	E	H	-3.1736
50	R	H	-2.1923
51	E	H	-1.4603
52	G	H	-0.0542
53	V	H	0.0000
54	S	H	0.0000
55	C	H	0.0000
56	I	H	0.0000
57	S	H	-0.3142
58	R	H	-0.6934
59	S	H	-0.9110
62	D	H	-2.0476
63	G	H	-1.3669
64	S	H	-0.7308
65	T	H	0.0155
66	Y	H	0.6091
67	Y	H	-0.4240
68	A	H	-1.1461
69	D	H	-2.4604
70	S	H	-1.7992
71	V	H	0.0000
72	K	H	-2.5016
74	G	H	-1.7271
75	R	H	-1.5859
76	F	H	0.0000
77	T	H	-0.6820
78	I	H	0.0000
79	S	H	-0.5726
80	S	H	-1.3818
81	D	H	-2.3877
82	N	H	-2.4066
83	A	H	-1.8368
84	K	H	-2.6241
85	N	H	-1.9673
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.4730
89	L	H	0.0000
90	Q	H	-0.8241
91	M	H	0.0000
92	N	H	-1.1871
93	S	H	-1.1690
94	L	H	0.0000
95	K	H	-2.1356
96	P	H	-1.7481
97	E	H	-2.2444
98	D	H	0.0000
99	T	H	-0.3497
100	A	H	0.0000
101	V	H	0.7847
102	Y	H	0.0000
103	Y	H	0.1417
104	C	H	0.0000
105	A	H	0.0000
106	T	H	0.0000
107	D	H	-0.4707
108	C	H	0.0000
109	T	H	1.3608
110	I	H	2.7806
111	V	H	2.2370
112A	S	H	0.9648
112	P	H	-0.2307
113	E	H	-1.0588
114	F	H	0.9091
115	I	H	-0.4072
116	D	H	-1.4206
117	Y	H	-0.6501
118	W	H	-0.3863
119	G	H	-0.6575
120	K	H	-1.3997
121	G	H	0.0000
122	T	H	0.5092
123	L	H	1.8133
124	V	H	0.0000
125	T	H	0.4503
126	V	H	0.0000
127	S	H	-0.7423
128	S	H	-0.8081