Project name: 15.P2E8.pdb

Chain sequence(s)	H: QVQLVESGGGLAQAGGSLRLSCAASGRAFLTYAMGWFRQAPGKEREFVAGIRWSGSTTYYADSAKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAGKIGLQIGTRGDEYDYWGQGTQVTVSS
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -3.1958
• Maximal score value: 1.2323
• Average score: -0.6569
• Total score value: -81.4563

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	-1.9222
2	V	H	0.0000
3	Q	H	-1.3647
4	L	H	0.0000
5	V	H	1.1207
6	E	H	0.1825
7	S	H	-0.4597
8	G	H	-0.8028
9	G	H	-0.6384
11	G	H	0.1361
12	L	H	0.9413
13	A	H	-0.2349
14	Q	H	-1.4232
15	A	H	-1.6473
16	G	H	-1.4586
17	G	H	-1.0421
18	S	H	-0.9784
19	L	H	-0.5237
20	R	H	-1.2329
21	L	H	0.0000
22	S	H	-0.1476
23	C	H	0.0000
24	A	H	-0.1054
25	A	H	0.0000
26	S	H	-1.4659
27	G	H	-2.1462
28	R	H	-2.3370
29	A	H	-0.5602
30	F	H	0.0000
35	L	H	1.0403
36	T	H	0.9656
37	Y	H	0.0000
38	A	H	0.0000
39	M	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	-1.7710
45	A	H	-1.6955
46	P	H	-1.2855
47	G	H	-1.7987
48	K	H	-2.9555
49	E	H	-3.1958
50	R	H	-2.2889
51	E	H	-1.7400
52	F	H	-0.9321
53	V	H	0.0000
54	A	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	R	H	-0.0193
58	W	H	0.7025
59	S	H	-0.0478
62	G	H	-0.5570
63	S	H	-0.5460
64	T	H	-0.1747
65	T	H	-0.0437
66	Y	H	0.0752
67	Y	H	-0.6502
68	A	H	-1.1794
69	D	H	-2.4287
70	S	H	-1.7535
71	A	H	0.0000
72	K	H	-2.5784
74	G	H	-1.8114
75	R	H	-1.6064
76	F	H	0.0000
77	T	H	-0.7022
78	I	H	0.0000
79	S	H	-0.3842
80	R	H	-0.7184
81	D	H	-1.1929
82	N	H	-0.8784
83	A	H	-1.0014
84	K	H	-2.1192
85	N	H	-1.4508
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.2518
89	L	H	0.0000
90	Q	H	-0.7964
91	M	H	0.0000
92	N	H	-1.3164
93	S	H	-1.3143
94	L	H	0.0000
95	K	H	-2.6493
96	P	H	-1.9967
97	E	H	-2.3701
98	D	H	0.0000
99	T	H	-0.9532
100	A	H	0.0000
101	V	H	-0.5206
102	Y	H	0.0000
103	Y	H	-0.1713
104	C	H	0.0000
105	A	H	0.0000
106	G	H	0.0000
107	K	H	0.1370
108	I	H	1.2257
109	G	H	0.8148
110	L	H	1.2323
111	Q	H	0.0027
111A	I	H	0.1272
111B	G	H	0.0000
112B	T	H	-1.0512
112A	R	H	-2.5807
112	G	H	-2.3101
113	D	H	-2.8985
114	E	H	-2.0766
115	Y	H	0.0000
116	D	H	-1.3611
117	Y	H	-0.4248
118	W	H	-0.0957
119	G	H	0.0000
120	Q	H	-0.7585
121	G	H	-0.5439
122	T	H	-0.6644
123	Q	H	-0.8504
124	V	H	0.0000
125	T	H	-0.3539
126	V	H	0.0000
127	S	H	-0.9287
128	S	H	-0.9234