Project name: 3.P1H11.pdb

Chain sequence(s)	H: EVQVVESGGGLVQPGGSLRLSCVASGSGFSIWHMGWYRQAPGQQRELVAFITDGGSTNYADSVKGRFTISRDNPKNTMYLQMNSLKPEDTAVYYCNARLRSIVWGQGTQVTVSS
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.1371
• Maximal score value: 1.9678
• Average score: -0.694
• Total score value: -79.1138

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	E	H	-2.5444
2	V	H	0.0000
3	Q	H	-1.2489
4	V	H	0.1909
5	V	H	1.1495
6	E	H	0.0000
7	S	H	-0.4472
8	G	H	-1.0579
9	G	H	-0.5852
11	G	H	0.1613
12	L	H	1.1135
13	V	H	0.0174
14	Q	H	-1.3318
15	P	H	-1.5721
16	G	H	-1.3773
17	G	H	-0.9183
18	S	H	-1.1024
19	L	H	-0.6711
20	R	H	-1.7338
21	L	H	0.0000
22	S	H	-0.2705
23	C	H	0.0000
24	V	H	0.1979
25	A	H	0.0000
26	S	H	-0.9384
27	G	H	-1.3518
28	S	H	-0.6818
29	G	H	0.0000
30	F	H	1.9678
35	S	H	0.9216
36	I	H	0.3920
37	W	H	0.0725
38	H	H	-0.5665
39	M	H	-0.4108
40	G	H	0.0000
41	W	H	0.0000
42	Y	H	0.2240
43	R	H	0.0000
44	Q	H	-1.3195
45	A	H	-1.4142
46	P	H	-1.0977
47	G	H	-1.5347
48	Q	H	-2.4147
49	Q	H	-2.4140
50	R	H	-1.7255
51	E	H	-1.1642
52	L	H	0.0870
53	V	H	0.0000
54	A	H	0.0000
55	F	H	0.0000
56	I	H	0.0000
57	T	H	-1.4267
58	D	H	-2.0708
59	G	H	-1.3883
63	G	H	-1.1892
64	S	H	-1.0413
65	T	H	-1.0139
66	N	H	-1.5960
67	Y	H	-1.3703
68	A	H	-1.5009
69	D	H	-2.6322
70	S	H	-1.8330
71	V	H	0.0000
72	K	H	-2.8173
74	G	H	-1.7506
75	R	H	-1.5254
76	F	H	0.0000
77	T	H	-0.9632
78	I	H	0.0000
79	S	H	-0.9167
80	R	H	-2.2604
81	D	H	-2.6641
82	N	H	-3.1371
83	P	H	-2.3110
84	K	H	-2.9240
85	N	H	-2.4874
86	T	H	0.0000
87	M	H	0.0000
88	Y	H	-0.6879
89	L	H	0.0000
90	Q	H	-1.0951
91	M	H	0.0000
92	N	H	-1.3019
93	S	H	-1.2263
94	L	H	0.0000
95	K	H	-2.2443
96	P	H	-1.9085
97	E	H	-2.3358
98	D	H	0.0000
99	T	H	-0.7791
100	A	H	0.0000
101	V	H	-0.1800
102	Y	H	0.0000
103	Y	H	0.1568
104	C	H	0.0000
105	N	H	0.0000
106	A	H	0.0525
107	R	H	-0.2645
108	L	H	0.5908
114	R	H	-1.1169
115	S	H	-0.0484
116	I	H	1.7533
117	V	H	0.5339
118	W	H	0.5850
119	G	H	0.2387
120	Q	H	-0.7370
121	G	H	-0.3795
122	T	H	-0.5175
123	Q	H	-0.5144
124	V	H	0.0000
125	T	H	-0.1685
126	V	H	0.0000
127	S	H	-0.7749
128	S	H	-0.5252