Project name: Pembro_VH_llama_V5

Chain sequence(s)	A: QVQLVQSGAEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGKGREGVSSINPSNGGTNFNEKFQGRVTMTRDSSISTAYMELSRLRSDDTAVYYCARRDYRFDMGFDYWGQGTLVTVSS
Selected Chain(s)	A
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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:08)

• Minimal score value: -3.4975
• Maximal score value: 1.3045
• Average score: -0.6628
• Total score value: -79.5408

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	A	-1.5477
2	V	A	-1.0440
3	Q	A	-1.3691
4	L	A	0.0000
5	V	A	0.1658
6	Q	A	0.0000
7	S	A	-0.5269
8	G	A	-0.4432
9	A	A	0.3309
10	E	A	0.0546
11	V	A	1.0335
12	K	A	-0.9679
13	K	A	-2.3690
14	P	A	-2.6183
15	G	A	-2.3335
16	A	A	-1.7590
17	S	A	-1.7943
18	V	A	0.0000
19	K	A	-2.1054
20	V	A	0.0000
21	S	A	-0.6860
22	C	A	0.0000
23	K	A	-0.7120
24	A	A	0.0000
25	S	A	-0.6449
26	G	A	-1.0478
27	Y	A	-0.5695
28	T	A	-0.4428
29	F	A	0.0000
30	T	A	-0.8619
31	N	A	-1.1613
32	Y	A	-0.2543
33	Y	A	0.1762
34	M	A	0.0000
35	Y	A	0.5447
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-1.6385
40	A	A	0.0000
41	P	A	-1.4649
42	G	A	-1.7176
43	K	A	-2.7234
44	G	A	-2.3478
45	R	A	-2.4383
46	E	A	-1.6546
47	G	A	-0.5740
48	V	A	0.0000
49	S	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	N	A	-0.9338
53	P	A	0.0000
54	S	A	-1.2439
55	N	A	-1.6396
56	G	A	-1.3117
57	G	A	-1.0479
58	T	A	-0.5251
59	N	A	-0.8848
60	F	A	-0.0469
61	N	A	-1.5233
62	E	A	-3.0109
63	K	A	-2.8636
64	F	A	0.0000
65	Q	A	-2.4634
66	G	A	-1.6350
67	R	A	-1.6511
68	V	A	-1.1653
69	T	A	-0.6356
70	M	A	0.0000
71	T	A	-0.6807
72	R	A	-1.1254
73	D	A	-0.7749
74	S	A	-0.3960
75	S	A	0.3284
76	I	A	1.3045
77	S	A	0.1274
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.8612
81	M	A	0.0000
82	E	A	-1.5403
83	L	A	0.0000
84	S	A	-1.8649
85	R	A	-2.8438
86	L	A	0.0000
87	R	A	-3.4975
88	S	A	-2.4103
89	D	A	-2.5567
90	D	A	0.0000
91	T	A	-0.7741
92	A	A	0.0000
93	V	A	0.4385
94	Y	A	0.0000
95	Y	A	0.1452
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	R	A	-0.0706
100	D	A	0.0000
101	Y	A	0.4153
102	R	A	-1.0697
103	F	A	0.0574
104	D	A	-0.8878
105	M	A	0.2742
106	G	A	-0.0024
107	F	A	0.5256
108	D	A	0.1238
109	Y	A	0.0776
110	W	A	0.2524
111	G	A	0.0000
112	Q	A	-0.8129
113	G	A	-0.0774
114	T	A	0.0000
115	L	A	1.0877
116	V	A	0.0000
117	T	A	-0.0703
118	V	A	0.0000
119	S	A	-1.0902
120	S	A	-1.1976