Project name: 1104

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

• Minimal score value: -3.1474
• Maximal score value: 0.5718
• Average score: -0.9004
• Total score value: -112.5534

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	-2.4488
2	V	H	0.0000
3	Q	H	-1.9807
4	L	H	0.0000
5	Q	H	-1.7298
6	E	H	0.0000
7	S	H	-1.0968
8	G	H	-0.9976
9	G	H	-0.8999
11	G	H	-0.7117
12	S	H	-0.5599
13	V	H	-0.7265
14	Q	H	-1.6205
15	A	H	-1.7212
16	G	H	-1.3927
17	G	H	-1.0803
18	S	H	-1.0524
19	L	H	-0.7398
20	R	H	-1.4202
21	L	H	0.0000
22	S	H	-0.7055
23	C	H	0.0000
24	A	H	-0.9800
25	L	H	-1.1401
26	S	H	-1.5667
27	G	H	-1.7550
28	N	H	-2.1375
29	T	H	0.0000
30	N	H	-2.1844
35	S	H	-1.9353
36	N	H	-1.8746
37	Y	H	0.0000
38	R	H	0.0000
39	M	H	0.0000
40	A	H	0.0000
41	W	H	0.0000
42	F	H	0.0000
43	R	H	0.0000
44	Q	H	-1.6365
45	A	H	-1.5680
46	P	H	-1.0143
47	A	H	-1.3601
48	K	H	-2.9111
49	E	H	-3.1474
50	R	H	-2.1602
51	E	H	-1.5377
52	G	H	-0.6049
53	V	H	0.0000
54	A	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	W	H	0.0000
58	G	H	-1.5811
59	N	H	-1.3156
63	G	H	-0.6969
64	Y	H	0.5718
65	T	H	0.1168
66	E	H	-0.4831
67	Y	H	-0.9690
68	A	H	-1.3542
69	D	H	-2.4988
70	S	H	-1.8119
71	V	H	0.0000
72	K	H	-2.6849
74	G	H	-1.7929
75	R	H	-1.4569
76	F	H	0.0000
77	T	H	-0.8448
78	I	H	0.0000
79	S	H	-0.3648
80	Q	H	-1.1992
81	D	H	-1.6657
82	N	H	-2.4529
83	A	H	-1.5706
84	K	H	-2.3444
85	H	H	-1.9149
86	T	H	-1.2686
87	L	H	0.0000
88	Y	H	-0.3864
89	L	H	0.0000
90	Q	H	-1.0263
91	M	H	0.0000
92	N	H	-1.3490
93	S	H	-1.3046
94	L	H	0.0000
95	K	H	-2.5937
96	P	H	-1.9806
97	E	H	-2.4088
98	D	H	0.0000
99	T	H	-1.0588
100	A	H	0.0000
101	M	H	-0.3117
102	Y	H	0.0000
103	Y	H	-0.4312
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	D	H	0.0000
108	S	H	-1.5792
109	S	H	-1.3567
110	D	H	-1.9795
111	A	H	-0.5186
111A	W	H	0.3079
111B	A	H	-0.0166
111C	G	H	-0.2438
112C	P	H	-0.3278
112B	F	H	-0.2309
112A	S	H	-0.6203
112	P	H	-0.7803
113	G	H	-0.9804
114	R	H	-1.1325
115	Y	H	0.0000
116	N	H	-1.2149
117	Y	H	-0.5880
118	W	H	-0.3695
119	G	H	-1.0025
120	Q	H	-1.5292
121	G	H	-0.8790
122	T	H	-0.8767
123	Q	H	-0.8359
124	V	H	0.0000
125	T	H	-0.8616
126	V	H	0.0000
127	S	H	-1.2029
128	S	H	-0.9027