Project name: ap2_3ddesign11

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGSASGIRSWGWFRQAPGQGLEAVAVISDTRPPEVSPRYDPSRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASVPGLEAEANEPFRESWGQGTLVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.9477
• Maximal score value: 1.7218
• Average score: -0.7136
• Total score value: -88.4824

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	-1.6730
2	V	A	-0.8792
3	Q	A	-0.9744
4	L	A	0.0000
5	V	A	0.9096
6	E	A	0.3221
7	S	A	-0.2531
8	G	A	-0.7213
9	G	A	0.0661
10	G	A	0.8592
11	L	A	1.3432
12	V	A	0.0000
13	Q	A	-1.4337
14	P	A	-1.6596
15	G	A	-1.4062
16	G	A	-0.9759
17	S	A	-1.2680
18	L	A	-0.9889
19	R	A	-2.2176
20	L	A	0.0000
21	S	A	-0.5401
22	C	A	0.0000
23	A	A	-0.3645
24	A	A	0.0000
25	S	A	-0.5378
26	G	A	-0.6929
27	S	A	-0.9144
28	A	A	0.0000
29	S	A	-1.3173
30	G	A	-1.0702
31	I	A	0.0000
32	R	A	-1.8759
33	S	A	-1.2890
34	W	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.5962
38	R	A	0.2087
39	Q	A	-0.2141
40	A	A	-0.6349
41	P	A	-0.9323
42	G	A	-0.8576
43	Q	A	-0.8902
44	G	A	-0.4717
45	L	A	0.6278
46	E	A	-0.1735
47	A	A	0.0248
48	V	A	0.0000
49	A	A	0.0000
50	V	A	-0.4646
51	I	A	0.0000
52	S	A	-2.2328
53	D	A	-2.9216
54	T	A	-2.1317
55	R	A	-2.9477
56	P	A	-1.9915
57	P	A	-1.8123
58	E	A	-2.1227
59	V	A	-1.2159
60	S	A	-1.1801
61	P	A	-1.5391
62	R	A	-2.1998
63	Y	A	0.0000
64	D	A	-1.6134
65	P	A	-1.3123
66	S	A	-0.7175
67	R	A	0.0000
68	F	A	0.0000
69	T	A	-0.9446
70	I	A	0.0000
71	S	A	-0.6026
72	R	A	-1.4650
73	D	A	-2.0703
74	N	A	-2.4048
75	S	A	-1.9686
76	K	A	-2.6093
77	N	A	-2.0820
78	T	A	0.0000
79	L	A	0.0000
80	Y	A	-0.7890
81	L	A	0.0000
82	Q	A	-1.4122
83	M	A	0.0000
84	N	A	-1.3239
85	S	A	-1.1171
86	L	A	0.0000
87	R	A	-2.4140
88	A	A	-1.8107
89	E	A	-2.2956
90	D	A	0.0000
91	T	A	-0.4278
92	A	A	0.0000
93	V	A	0.9540
94	Y	A	0.0000
95	Y	A	0.5346
96	C	A	0.0000
97	A	A	0.0000
98	S	A	0.0000
99	V	A	-0.2645
100	P	A	-0.6379
101	G	A	-0.9922
102	L	A	0.0466
103	E	A	-1.6041
104	A	A	-1.6545
105	E	A	-2.6233
106	A	A	-1.4614
107	N	A	-2.0564
108	E	A	-1.9346
109	P	A	-0.8386
110	F	A	0.4685
111	R	A	-1.3329
112	E	A	-0.9930
113	S	A	0.0000
114	W	A	-0.0232
115	G	A	-0.1131
116	Q	A	-0.8708
117	G	A	0.0922
118	T	A	0.5772
119	L	A	1.7218
120	V	A	0.0000
121	T	A	0.3550
122	V	A	0.0000
123	S	A	-0.6591
124	S	A	-0.7626