Project name: rfantibody_design_3

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGSQATDFSSFSLGWFRQAPGQGLEAVAAIDSETNETYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAANDHGVAYINQQSSYQYWGQGTLVTVSS
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.9166
• Maximal score value: 1.7539
• Average score: -0.6777
• Total score value: -86.7458

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	-1.7299
2	V	A	0.0000
3	Q	A	-0.8806
4	L	A	0.0000
5	V	A	1.2319
6	E	A	0.4864
7	S	A	-0.1382
8	G	A	-0.7214
9	G	A	0.1121
10	G	A	0.6884
11	L	A	1.3940
12	V	A	-0.1296
13	Q	A	-1.4523
14	P	A	-1.8100
15	G	A	-1.5223
16	G	A	-1.0000
17	S	A	-1.2956
18	L	A	-0.9052
19	R	A	-2.1417
20	L	A	0.0000
21	S	A	-0.4101
22	C	A	0.0000
23	A	A	-0.0786
24	A	A	0.0000
25	S	A	-0.9882
26	G	A	-1.3962
27	S	A	-1.3344
28	Q	A	-1.7158
29	A	A	0.0000
30	T	A	-1.1604
31	D	A	-1.6645
32	F	A	0.0000
33	S	A	-1.5475
34	S	A	-1.4263
35	F	A	0.0000
36	S	A	0.0000
37	L	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	0.0000
42	Q	A	-0.7059
43	A	A	-0.9738
44	P	A	-0.9645
45	G	A	-1.2912
46	Q	A	-1.8536
47	G	A	-1.2570
48	L	A	-0.5200
49	E	A	-1.0062
50	A	A	-0.6197
51	V	A	0.0000
52	A	A	0.0000
53	A	A	0.0000
54	I	A	0.0000
55	D	A	0.0000
56	S	A	-1.5374
57	E	A	-2.3043
58	T	A	-1.7786
59	N	A	-2.2997
60	E	A	-2.0611
61	T	A	-0.7696
62	Y	A	-0.1247
63	Y	A	-0.5956
64	A	A	-1.3754
65	D	A	-2.4414
66	S	A	-1.7476
67	V	A	0.0000
68	K	A	-2.5715
69	G	A	-1.7558
70	R	A	-1.5198
71	F	A	0.0000
72	T	A	-0.7914
73	I	A	0.0000
74	S	A	-0.6351
75	R	A	-1.2867
76	D	A	-1.8714
77	N	A	-2.2915
78	S	A	-1.8451
79	K	A	-2.5376
80	N	A	-2.0629
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	-0.6385
84	L	A	0.0000
85	Q	A	-1.2975
86	M	A	0.0000
87	N	A	-1.4902
88	S	A	-1.3728
89	L	A	0.0000
90	R	A	-2.9166
91	A	A	-2.0326
92	E	A	-2.4639
93	D	A	0.0000
94	T	A	-0.4848
95	A	A	0.0000
96	V	A	0.8871
97	Y	A	0.0000
98	Y	A	0.3459
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	N	A	0.0000
103	D	A	-1.5999
104	H	A	-1.5774
105	G	A	-0.2934
106	V	A	0.9052
107	A	A	0.0000
108	Y	A	0.8381
109	I	A	0.1282
110	N	A	-1.4705
111	Q	A	-1.3009
112	Q	A	-1.2838
113	S	A	-1.0768
114	S	A	-0.7542
115	Y	A	0.0000
116	Q	A	-1.2426
117	Y	A	-0.5491
118	W	A	0.1072
119	G	A	0.0288
120	Q	A	-0.7814
121	G	A	0.1134
122	T	A	0.6472
123	L	A	1.7539
124	V	A	0.0000
125	T	A	0.3324
126	V	A	0.0000
127	S	A	-0.7729
128	S	A	-0.5013