Project name: 17.P2E12.pdb

Chain sequence(s)	H: QVQLVESGGGLVQAGGSLRLSCAVSGIDFSISTVVWYRQAPGKQRDWVATIARVGSTSYANSVKGRFTVSRDNVKNTAYLQMNSLKAEDTALYYCNTPPLIARDYWGQGTQVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -3.1043
• Maximal score value: 2.0545
• Average score: -0.6314
• Total score value: -73.2433

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	-1.3367
2	V	H	-0.7773
3	Q	H	-0.7492
4	L	H	0.0000
5	V	H	0.3315
6	E	H	0.0000
7	S	H	-0.5562
8	G	H	-0.9072
9	G	H	-0.5138
11	G	H	0.2628
12	L	H	1.1746
13	V	H	0.0503
14	Q	H	-1.2523
15	A	H	-1.6820
16	G	H	-1.3890
17	G	H	-1.1182
18	S	H	-1.1030
19	L	H	-0.7276
20	R	H	-1.5303
21	L	H	0.0000
22	S	H	-0.2909
23	C	H	0.0000
24	A	H	-0.2349
25	V	H	0.0000
26	S	H	-0.9782
27	G	H	-1.0767
28	I	H	-0.5364
29	D	H	-0.9406
30	F	H	0.0000
35	S	H	-0.1450
36	I	H	1.3371
37	S	H	0.0000
38	T	H	0.0857
39	V	H	0.0000
40	V	H	0.2218
41	W	H	0.0000
42	Y	H	-0.2103
43	R	H	-1.1966
44	Q	H	-1.9452
45	A	H	-1.9050
46	P	H	-1.2431
47	G	H	-1.7767
48	K	H	-3.1043
49	Q	H	-3.0488
50	R	H	-2.5687
51	D	H	-2.4286
52	W	H	-0.6085
53	V	H	0.0000
54	A	H	0.0000
55	T	H	-0.1356
56	I	H	0.0000
57	A	H	-0.2379
58	R	H	-0.7479
59	V	H	0.9197
63	G	H	-0.4769
64	S	H	-0.2552
65	T	H	-0.2437
66	S	H	-0.5248
67	Y	H	-0.7711
68	A	H	-1.1952
69	N	H	-1.9940
70	S	H	-1.5609
71	V	H	0.0000
72	K	H	-2.4798
74	G	H	-1.7084
75	R	H	-1.6742
76	F	H	0.0000
77	T	H	-0.7701
78	V	H	0.0000
79	S	H	-0.5803
80	R	H	-1.3367
81	D	H	-1.7277
82	N	H	-1.9249
83	V	H	-0.0958
84	K	H	-1.7994
85	N	H	-1.6747
86	T	H	-0.9850
87	A	H	0.0000
88	Y	H	-0.3105
89	L	H	0.0000
90	Q	H	-0.8913
91	M	H	0.0000
92	N	H	-1.2900
93	S	H	-1.2635
94	L	H	0.0000
95	K	H	-2.6486
96	A	H	-1.8710
97	E	H	-2.3631
98	D	H	0.0000
99	T	H	-0.8453
100	A	H	0.0000
101	L	H	-0.2684
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	N	H	0.0000
106	T	H	0.0000
107	P	H	-0.2057
108	P	H	0.6137
109	L	H	1.7943
113	I	H	2.0545
114	A	H	0.2898
115	R	H	-1.4432
116	D	H	-1.3747
117	Y	H	-0.6584
118	W	H	-0.0822
119	G	H	-0.1732
120	Q	H	-0.9591
121	G	H	0.0000
122	T	H	-0.5913
123	Q	H	-0.5488
124	V	H	0.0000
125	T	H	-0.1731
126	V	H	0.0000
127	S	H	-0.7569
128	S	H	-0.8793