Project name: P5D1H21

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCVASGSIFGMSFMNWYRQAPGKEREWVGTISKSGVTSYADSVKGRFTISRDNAKNSMYLQMNSLRAEDTAVYYCNLPRPVMDYWGKGTTVTVSS
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -2.7706
• Maximal score value: 1.3656
• Average score: -0.4954
• Total score value: -56.974

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	-1.7442
2	V	H	0.0000
3	Q	H	-1.3203
4	L	H	0.0000
5	V	H	1.1043
6	E	H	0.0000
7	S	H	-0.2624
8	G	H	-0.9619
9	G	H	-0.3425
11	G	H	0.3059
12	L	H	1.2452
13	V	H	0.0500
14	Q	H	-1.2607
15	P	H	-1.3786
16	G	H	-1.3221
17	G	H	-0.8762
18	S	H	-0.8859
19	L	H	-0.6276
20	R	H	-1.5847
21	L	H	0.0000
22	S	H	0.0072
23	C	H	0.0000
24	V	H	0.9756
25	A	H	0.0000
26	S	H	-0.5807
27	G	H	-0.8114
28	S	H	-0.2910
29	I	H	0.0000
30	F	H	0.7950
35	G	H	0.2208
36	M	H	0.0000
37	S	H	-0.5805
38	F	H	0.2341
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	Y	H	0.1753
43	R	H	0.0000
44	Q	H	-1.1641
45	A	H	-1.2914
46	P	H	-1.0391
47	G	H	-1.4739
48	K	H	-2.2452
49	E	H	-2.7706
50	R	H	-1.7982
51	E	H	-1.1979
52	W	H	-0.0717
53	V	H	0.0000
54	G	H	0.0000
55	T	H	0.5486
56	I	H	0.0000
57	S	H	0.0063
58	K	H	-1.2511
59	S	H	-0.5250
63	G	H	-0.1481
64	V	H	1.3531
65	T	H	0.6205
66	S	H	-0.1780
67	Y	H	-0.8705
68	A	H	-1.2614
69	D	H	-2.4576
70	S	H	-1.8894
71	V	H	0.0000
72	K	H	-2.5241
74	G	H	-1.6884
75	R	H	-1.6282
76	F	H	0.0000
77	T	H	-0.7958
78	I	H	0.0000
79	S	H	-0.2992
80	R	H	-1.2408
81	D	H	-1.5856
82	N	H	-1.9917
83	A	H	-1.3916
84	K	H	-2.0332
85	N	H	-1.1484
86	S	H	0.0000
87	M	H	0.0000
88	Y	H	-0.2452
89	L	H	0.0000
90	Q	H	-1.0715
91	M	H	0.0000
92	N	H	-1.2532
93	S	H	-1.1465
94	L	H	0.0000
95	R	H	-1.9877
96	A	H	-1.5249
97	E	H	-2.1165
98	D	H	0.0000
99	T	H	-0.5087
100	A	H	0.0000
101	V	H	0.1313
102	Y	H	0.0000
103	Y	H	0.1902
104	C	H	0.0000
105	N	H	0.0000
106	L	H	0.0000
107	P	H	-0.1821
108	R	H	-1.1904
109	P	H	-0.0930
114	V	H	1.3656
115	M	H	1.0188
116	D	H	-0.5442
117	Y	H	-0.2403
118	W	H	0.3072
119	G	H	-0.1230
120	K	H	-1.2741
121	G	H	0.0000
122	T	H	-0.2417
123	T	H	0.1750
124	V	H	0.0000
125	T	H	0.0513
126	V	H	0.0000
127	S	H	-0.5209
128	S	H	-0.8005