Project name: Pembro_VH_llama_V1

Chain sequence(s)	A: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGKGLEWVSSINPSNGGTNFNEKFKNRFTISTDNAKNTLYLQMNSLKPEDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS
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                                          (00:03:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:51)

• Minimal score value: -3.6996
• Maximal score value: 1.7453
• Average score: -0.6428
• Total score value: -77.134

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	-1.4752
2	V	A	-0.8676
3	Q	A	-1.3218
4	L	A	0.0000
5	V	A	-0.0672
6	Q	A	0.0000
7	S	A	-0.2854
8	G	A	0.3353
9	V	A	1.7453
10	E	A	0.8067
11	V	A	1.3079
12	K	A	-0.8725
13	K	A	-2.0600
14	P	A	-2.0083
15	G	A	-1.4792
16	A	A	-1.1028
17	S	A	-1.3953
18	V	A	0.0000
19	K	A	-1.9463
20	V	A	0.0000
21	S	A	-0.5827
22	C	A	0.0000
23	K	A	-1.4420
24	A	A	0.0000
25	S	A	-1.1439
26	G	A	-0.9090
27	Y	A	-0.5481
28	T	A	-0.5287
29	F	A	0.0000
30	T	A	-1.0421
31	N	A	-1.3060
32	Y	A	-0.4180
33	Y	A	0.3358
34	M	A	0.0000
35	Y	A	0.3128
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.6241
40	A	A	-1.1900
41	P	A	-1.3348
42	G	A	-1.5870
43	K	A	-2.1296
44	G	A	-1.0062
45	L	A	0.4760
46	E	A	-0.1087
47	W	A	0.2034
48	V	A	0.0000
49	S	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	N	A	-0.9463
53	P	A	0.0000
54	S	A	-1.3199
55	N	A	-1.7174
56	G	A	-1.4259
57	G	A	-1.2372
58	T	A	-1.0380
59	N	A	-1.7802
60	F	A	-1.9305
61	N	A	-2.3893
62	E	A	-3.6996
63	K	A	-3.3111
64	F	A	0.0000
65	K	A	-3.6285
66	N	A	-2.9383
67	R	A	-2.1622
68	F	A	0.0000
69	T	A	-1.1401
70	I	A	0.0000
71	S	A	-0.4245
72	T	A	-0.9781
73	D	A	-1.5468
74	N	A	-1.7084
75	A	A	-1.3652
76	K	A	-2.4733
77	N	A	-1.9859
78	T	A	0.0000
79	L	A	0.0000
80	Y	A	-0.5091
81	L	A	0.0000
82	Q	A	-1.1893
83	M	A	0.0000
84	N	A	-1.5506
85	S	A	-1.3573
86	L	A	0.0000
87	K	A	-2.2997
88	P	A	-1.9854
89	E	A	-2.2851
90	D	A	0.0000
91	T	A	-0.7827
92	A	A	0.0000
93	V	A	0.5108
94	Y	A	0.0000
95	Y	A	0.3564
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	R	A	0.1578
100	D	A	0.0000
101	Y	A	0.0931
102	R	A	-1.0161
103	F	A	0.7421
104	D	A	-0.6233
105	M	A	0.6546
106	G	A	0.2905
107	F	A	0.7726
108	D	A	0.3231
109	Y	A	0.5245
110	W	A	0.5877
111	G	A	0.0000
112	Q	A	-0.8655
113	G	A	-0.1062
114	T	A	0.0000
115	T	A	0.6829
116	V	A	0.0000
117	T	A	0.0516
118	V	A	0.0000
119	S	A	-1.0258
120	S	A	-0.8796