Project name: WH25

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGSISSHNDMSWYRQAPGKGLELVAFIASGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCNSRTYDGEKTYWGQGTTVTVSS
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -3.1555
• Maximal score value: 1.194
• Average score: -0.6877
• Total score value: -80.4592

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	-1.6158
2	V	H	-1.1433
3	Q	H	-1.0579
4	L	H	0.0000
5	V	H	1.1221
6	E	H	0.0000
7	S	H	-0.2954
8	G	H	-0.9070
9	G	H	-0.3110
11	G	H	0.3258
12	L	H	1.1940
13	V	H	-0.0160
14	Q	H	-1.3671
15	P	H	-1.4406
16	G	H	-1.4493
17	G	H	-0.9716
18	S	H	-0.9349
19	L	H	-0.6367
20	R	H	-1.5558
21	L	H	0.0000
22	S	H	-0.1786
23	C	H	0.0000
24	A	H	-0.0369
25	A	H	-0.3851
26	S	H	-0.7813
27	G	H	-0.7958
28	S	H	-0.8575
29	I	H	0.0000
30	S	H	-1.4912
35	S	H	-1.2221
36	H	H	-1.4439
37	N	H	-1.1695
38	D	H	-1.0611
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	Y	H	0.6659
43	R	H	0.0000
44	Q	H	-0.4854
45	A	H	-0.9555
46	P	H	-0.8413
47	G	H	-1.0505
48	K	H	-1.2940
49	G	H	-0.7436
50	L	H	0.3059
51	E	H	-0.0072
52	L	H	0.8717
53	V	H	0.0000
54	A	H	0.0000
55	F	H	0.6709
56	I	H	0.0000
57	A	H	-0.6858
58	S	H	-1.2527
59	G	H	-1.0090
63	G	H	-0.5950
64	S	H	-0.1861
65	T	H	0.4534
66	Y	H	1.0965
67	Y	H	0.0266
68	A	H	-0.7741
69	D	H	-2.2599
70	S	H	-1.6928
71	V	H	0.0000
72	K	H	-2.3547
74	G	H	-1.6874
75	R	H	-1.4812
76	F	H	0.0000
77	T	H	-0.6011
78	I	H	0.0000
79	S	H	-0.4935
80	R	H	-1.2444
81	D	H	-1.9298
82	N	H	-2.4701
83	S	H	-1.9348
84	K	H	-2.5959
85	N	H	-2.0161
86	T	H	-1.0912
87	L	H	0.0000
88	Y	H	-0.3358
89	L	H	0.0000
90	Q	H	-1.0565
91	M	H	0.0000
92	N	H	-1.2956
93	S	H	-1.2425
94	L	H	0.0000
95	R	H	-2.2383
96	A	H	-1.6730
97	E	H	-2.1873
98	D	H	0.0000
99	T	H	-0.6540
100	A	H	0.0000
101	V	H	0.2360
102	Y	H	0.0000
103	Y	H	0.5246
104	C	H	0.0000
105	N	H	0.0000
106	S	H	0.0000
107	R	H	-1.7585
108	T	H	-1.7304
109	Y	H	-1.8533
110	D	H	-2.4406
113	G	H	-2.3918
114	E	H	-3.1555
115	K	H	-3.0179
116	T	H	-1.3182
117	Y	H	-0.7247
118	W	H	0.2072
119	G	H	-0.0286
120	Q	H	-0.7858
121	G	H	-0.1402
122	T	H	-0.1164
123	T	H	0.0061
124	V	H	0.0000
125	T	H	0.0112
126	V	H	0.0000
127	S	H	-0.5938
128	S	H	-0.5799