Project name: Pembro_VH_llama_V4

Chain sequence(s)	A: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGKGREGVSSINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS
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                                          (00:02:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:08)

• Minimal score value: -3.5632
• Maximal score value: 1.6898
• Average score: -0.6081
• Total score value: -72.9779

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	-1.5439
2	V	A	-1.0662
3	Q	A	-1.2747
4	L	A	0.0000
5	V	A	0.2811
6	Q	A	0.0000
7	S	A	-0.2259
8	G	A	0.2208
9	V	A	1.6898
10	E	A	0.7270
11	V	A	1.2677
12	K	A	-0.6350
13	K	A	-1.7480
14	P	A	-1.5771
15	G	A	-1.3361
16	A	A	-1.1810
17	S	A	-1.5420
18	V	A	0.0000
19	K	A	-1.9199
20	V	A	0.0000
21	S	A	-0.4317
22	C	A	0.0000
23	K	A	-0.9027
24	A	A	0.0000
25	S	A	-0.8700
26	G	A	-1.0625
27	Y	A	-0.5868
28	T	A	-0.4533
29	F	A	0.0000
30	T	A	-0.9164
31	N	A	-1.1087
32	Y	A	-0.4103
33	Y	A	0.2387
34	M	A	0.0000
35	Y	A	0.2543
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-1.9139
40	A	A	0.0000
41	P	A	-1.5170
42	G	A	-1.7675
43	K	A	-2.8249
44	G	A	-2.5995
45	R	A	-2.9216
46	E	A	-2.0018
47	G	A	-1.2639
48	V	A	0.0000
49	S	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	N	A	-0.9474
53	P	A	-1.0483
54	S	A	-1.2750
55	N	A	-1.7175
56	G	A	-1.3026
57	G	A	-1.2041
58	T	A	-0.8884
59	N	A	-1.5466
60	F	A	-1.7011
61	N	A	-2.4236
62	E	A	-3.5632
63	K	A	-3.2738
64	F	A	0.0000
65	K	A	-3.2512
66	N	A	-2.5907
67	R	A	-2.1268
68	V	A	0.0000
69	T	A	-0.7590
70	L	A	-0.2224
71	T	A	-0.2335
72	T	A	-0.7568
73	D	A	-1.0870
74	S	A	-0.7752
75	S	A	-0.5849
76	T	A	-0.6641
77	T	A	-0.7339
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.3026
81	M	A	0.0000
82	E	A	-1.1555
83	L	A	0.0000
84	K	A	-1.8934
85	S	A	-1.5495
86	L	A	0.0000
87	Q	A	-1.4472
88	F	A	0.0921
89	D	A	-1.2741
90	D	A	0.0000
91	T	A	-0.1784
92	A	A	0.0000
93	V	A	0.1025
94	Y	A	0.0000
95	Y	A	-0.0690
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	R	A	0.1536
100	D	A	0.0000
101	Y	A	0.4689
102	R	A	-0.7342
103	F	A	0.7098
104	D	A	-0.4694
105	M	A	0.6121
106	G	A	0.4699
107	F	A	0.8725
108	D	A	0.1988
109	Y	A	0.1461
110	W	A	0.4027
111	G	A	0.0000
112	Q	A	-0.8619
113	G	A	-0.0582
114	T	A	0.0000
115	T	A	0.6764
116	V	A	0.0000
117	T	A	0.4072
118	V	A	0.0000
119	S	A	-0.2583
120	S	A	-0.4388