Project name: WH39.pdb

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGRTFPTYGMGWFRQAPGKEREFVSAINWSGAMTRYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTAVYYCAAAVTAVIASNYDYWGQGTTVTVSS
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -3.2278
• Maximal score value: 2.573
• Average score: -0.5775
• Total score value: -69.8753

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	-2.7009
2	V	H	0.0000
3	Q	H	-1.7574
4	L	H	0.0000
5	V	H	1.0853
6	E	H	0.2447
7	S	H	-0.3734
8	G	H	-0.8645
9	G	H	-0.2820
11	G	H	0.4049
12	L	H	1.2656
13	V	H	0.0323
14	Q	H	-1.3020
15	P	H	-1.5112
16	G	H	-1.3754
17	G	H	-0.9405
18	S	H	-0.9943
19	L	H	-0.4550
20	R	H	-1.2043
21	L	H	0.0000
22	S	H	-0.1958
23	C	H	0.0000
24	A	H	-0.1565
25	A	H	0.0000
26	S	H	-1.4014
27	G	H	-1.9230
28	R	H	-1.9795
29	T	H	-0.8405
30	F	H	0.0000
35	P	H	-0.7268
36	T	H	0.0899
37	Y	H	0.5721
38	G	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	-1.5275
45	A	H	-1.5915
46	P	H	-1.3324
47	G	H	-1.8952
48	K	H	-3.1586
49	E	H	-3.2278
50	R	H	-2.1591
51	E	H	-1.2679
52	F	H	-0.0605
53	V	H	0.0000
54	S	H	0.0000
55	A	H	-0.2115
56	I	H	0.0000
57	N	H	0.1144
58	W	H	0.2230
59	S	H	-0.1868
62	G	H	-0.2678
63	A	H	-0.1166
64	M	H	-0.1489
65	T	H	-0.7411
66	R	H	-1.7730
67	Y	H	-1.4878
68	A	H	-1.4140
69	D	H	-2.5961
70	S	H	-1.7207
71	V	H	0.0000
72	K	H	-2.5756
74	G	H	-1.5950
75	R	H	-1.3588
76	F	H	0.0000
77	T	H	-0.8398
78	I	H	0.0000
79	S	H	-0.2813
80	R	H	-0.8764
81	D	H	-1.5075
82	N	H	-1.6509
83	S	H	-1.6017
84	K	H	-2.4044
85	N	H	-1.9183
86	T	H	-0.9569
87	V	H	0.0000
88	Y	H	-0.2898
89	L	H	0.0000
90	Q	H	-0.7806
91	M	H	0.0000
92	N	H	-1.1936
93	S	H	-1.2177
94	L	H	0.0000
95	R	H	-2.1624
96	A	H	-1.6324
97	E	H	-2.1834
98	D	H	0.0000
99	T	H	-0.5918
100	A	H	0.0000
101	V	H	0.0634
102	Y	H	0.0000
103	Y	H	0.0844
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	A	H	0.0000
108	V	H	0.8798
109	T	H	1.1168
110	A	H	1.6641
111	V	H	2.5730
112A	I	H	2.4333
112	A	H	0.9132
113	S	H	-0.6156
114	N	H	-1.2983
115	Y	H	0.0000
116	D	H	-1.9569
117	Y	H	-1.0846
118	W	H	-0.3592
119	G	H	-0.1253
120	Q	H	-0.8581
121	G	H	-0.2549
122	T	H	-0.1743
123	T	H	0.0109
124	V	H	0.0000
125	T	H	0.0269
126	V	H	0.0000
127	S	H	-0.6415
128	S	H	-0.8171