Project name: Pembro_VH_llama_V3

Chain sequence(s)	A: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGKGLEWVSSINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -3.5917
• Maximal score value: 1.7481
• Average score: -0.5284
• Total score value: -63.4029

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	-1.5435
2	V	A	-1.0333
3	Q	A	-1.2894
4	L	A	0.0000
5	V	A	0.2869
6	Q	A	0.0000
7	S	A	-0.1851
8	G	A	0.2476
9	V	A	1.7481
10	E	A	0.8012
11	V	A	1.3336
12	K	A	-0.5878
13	K	A	-1.7362
14	P	A	-1.5437
15	G	A	-1.2984
16	A	A	-1.1428
17	S	A	-1.5536
18	V	A	0.0000
19	K	A	-2.0431
20	V	A	0.0000
21	S	A	-0.4467
22	C	A	0.0000
23	K	A	-0.7374
24	A	A	0.0000
25	S	A	-0.8594
26	G	A	-1.0665
27	Y	A	-0.5794
28	T	A	-0.4359
29	F	A	0.0000
30	T	A	-0.8935
31	N	A	-1.2405
32	Y	A	-0.3155
33	Y	A	-0.1917
34	M	A	0.0000
35	Y	A	0.2457
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.8695
40	A	A	0.0000
41	P	A	-1.3318
42	G	A	-1.5938
43	K	A	-2.2693
44	G	A	-1.2879
45	L	A	-0.0782
46	E	A	-0.3418
47	W	A	0.1921
48	V	A	0.0000
49	S	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	N	A	-1.0037
53	P	A	0.0000
54	S	A	-1.2445
55	N	A	-1.6821
56	G	A	-1.2866
57	G	A	-1.1176
58	T	A	-0.7578
59	N	A	-1.3124
60	F	A	-1.4754
61	N	A	-2.1618
62	E	A	-3.5893
63	K	A	-3.2471
64	F	A	0.0000
65	K	A	-3.5917
66	N	A	-2.8941
67	R	A	-2.2366
68	V	A	0.0000
69	T	A	-0.9475
70	L	A	0.0000
71	T	A	-0.3482
72	T	A	-0.7575
73	D	A	-1.0393
74	S	A	-0.7524
75	S	A	-0.5744
76	T	A	-0.6212
77	T	A	-0.6703
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.4422
81	M	A	0.0000
82	E	A	-1.4574
83	L	A	0.0000
84	K	A	-1.8004
85	S	A	-1.4842
86	L	A	0.0000
87	Q	A	-1.4022
88	F	A	0.1136
89	D	A	-1.2685
90	D	A	0.0000
91	T	A	-0.1617
92	A	A	0.0000
93	V	A	0.4494
94	Y	A	0.0000
95	Y	A	0.3088
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	R	A	-0.1157
100	D	A	0.0000
101	Y	A	0.5660
102	R	A	-0.8286
103	F	A	0.4428
104	D	A	-0.6920
105	M	A	0.5209
106	G	A	0.3439
107	F	A	0.4305
108	D	A	0.1650
109	Y	A	0.1130
110	W	A	0.2706
111	G	A	0.0000
112	Q	A	-0.8871
113	G	A	-0.0850
114	T	A	0.0000
115	T	A	0.6856
116	V	A	0.0000
117	T	A	0.4433
118	V	A	0.0000
119	S	A	-0.2519
120	S	A	-0.4274