Project name: Pembro_VH_llama_V2

Chain sequence(s)	A: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGKGLEWVSSINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLKPEDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS
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                                          (00:02:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -3.4744
• Maximal score value: 1.7568
• Average score: -0.5963
• Total score value: -71.556

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	-1.5353
2	V	A	-1.0050
3	Q	A	-1.2431
4	L	A	0.0000
5	V	A	0.2997
6	Q	A	0.0000
7	S	A	-0.1945
8	G	A	0.2595
9	V	A	1.7568
10	E	A	0.8580
11	V	A	1.3240
12	K	A	-0.9120
13	K	A	-2.1300
14	P	A	-2.1860
15	G	A	-1.6421
16	A	A	-1.2049
17	S	A	-1.5437
18	V	A	0.0000
19	K	A	-1.8703
20	V	A	0.0000
21	S	A	-0.4081
22	C	A	0.0000
23	K	A	-0.9276
24	A	A	0.0000
25	S	A	-0.8717
26	G	A	-1.0490
27	Y	A	-0.5786
28	T	A	-0.4469
29	F	A	0.0000
30	T	A	-0.8952
31	N	A	-1.0933
32	Y	A	-0.3752
33	Y	A	0.2600
34	M	A	0.0000
35	Y	A	0.3106
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.7511
40	A	A	-1.2639
41	P	A	-1.3599
42	G	A	-1.4838
43	K	A	-2.1791
44	G	A	-1.0919
45	L	A	0.2625
46	E	A	-0.1711
47	W	A	0.0677
48	V	A	0.0000
49	S	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	N	A	-0.9410
53	P	A	0.0000
54	S	A	-1.2632
55	N	A	-1.7254
56	G	A	-1.2779
57	G	A	-1.1989
58	T	A	-0.8033
59	N	A	-1.3603
60	F	A	-1.1467
61	N	A	-1.8662
62	E	A	-3.4280
63	K	A	-3.1611
64	F	A	0.0000
65	K	A	-3.4744
66	N	A	-2.7237
67	R	A	-2.1806
68	V	A	0.0000
69	T	A	-0.7145
70	L	A	-0.1430
71	T	A	-0.1604
72	T	A	-0.6769
73	D	A	-0.9579
74	S	A	-0.7129
75	S	A	-0.5561
76	T	A	-0.6589
77	T	A	-0.7145
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.2177
81	M	A	0.0000
82	E	A	-1.0989
83	L	A	0.0000
84	K	A	-1.8935
85	S	A	-1.5845
86	L	A	0.0000
87	K	A	-2.6661
88	P	A	-2.2011
89	E	A	-2.4185
90	D	A	0.0000
91	T	A	-0.8720
92	A	A	0.0000
93	V	A	0.4414
94	Y	A	0.0000
95	Y	A	0.3857
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	R	A	-0.2026
100	D	A	0.0000
101	Y	A	0.2753
102	R	A	-1.0682
103	F	A	-0.0631
104	D	A	-1.0170
105	M	A	0.3420
106	G	A	0.0068
107	F	A	0.5929
108	D	A	0.3129
109	Y	A	0.2005
110	W	A	0.5073
111	G	A	0.0000
112	Q	A	-0.8177
113	G	A	-0.0467
114	T	A	0.0000
115	T	A	0.6893
116	V	A	0.0000
117	T	A	0.0086
118	V	A	0.0000
119	S	A	-1.1201
120	S	A	-1.1707