Project name: afbedf1cb21b4b9

Chain sequence(s)	A: DVVMTQTPLSLSVTPGEPASISCRSTQSLLDGVNPSFDWYVQKPGQSPQLLIHRGFYRASGVPDRFSGSGSGTDFTLRISRVEAEDVGVYYCMQRIEFPLTFGGGTKVEIK
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.                                          (00:00:55)

• Minimal score value: -3.0844
• Maximal score value: 2.1641
• Average score: -0.3488
• Total score value: -38.7127

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	D	A	-1.1150
2	V	A	0.6368
3	V	A	1.4526
4	M	A	0.6321
5	T	A	-0.1222
6	Q	A	-0.0508
7	T	A	0.0145
8	P	A	0.6530
9	L	A	1.7933
10	S	A	1.1372
11	L	A	1.4365
12	S	A	0.5944
13	V	A	0.0258
14	T	A	-0.8032
15	P	A	-1.7397
16	G	A	-1.9990
17	E	A	-2.3506
18	P	A	-2.1160
19	A	A	-1.0696
20	S	A	-0.6679
21	I	A	0.0000
22	S	A	-0.7916
23	C	A	0.0000
24	R	A	-1.9874
25	S	A	0.0000
26	T	A	0.1884
27	Q	A	0.4329
28	S	A	0.7069
29	L	A	1.5909
30	L	A	1.2799
31	D	A	-0.5726
34	G	A	0.2500
35	V	A	0.1323
36	N	A	-1.2276
37	P	A	-1.1604
38	S	A	-1.4987
39	F	A	0.0000
40	D	A	0.0000
41	W	A	0.0000
42	Y	A	0.4472
43	V	A	0.0000
44	Q	A	-0.3556
45	K	A	-0.9516
46	P	A	-0.8963
47	G	A	-1.4188
48	Q	A	-2.0074
49	S	A	-1.3863
50	P	A	-0.9271
51	Q	A	-0.9746
52	L	A	-0.2294
53	L	A	0.0000
54	I	A	0.0000
55	H	A	-0.2877
56	R	A	-1.0141
57	G	A	0.0000
65	F	A	1.6076
66	Y	A	1.1151
67	R	A	-0.7885
68	A	A	-0.5756
69	S	A	-0.7248
70	G	A	-1.0091
71	V	A	0.0000
72	P	A	-1.4070
74	D	A	-2.3364
75	R	A	-2.2730
76	F	A	0.0000
77	S	A	-0.7471
78	G	A	-0.0408
79	S	A	0.0185
80	G	A	-0.5117
83	S	A	-0.9413
84	G	A	-1.0654
85	T	A	-1.2248
86	D	A	-1.7069
87	F	A	0.0000
88	T	A	-0.7004
89	L	A	0.0000
90	R	A	-1.7101
91	I	A	0.0000
92	S	A	-2.3352
93	R	A	-3.0844
94	V	A	-2.2070
95	E	A	-2.4017
96	A	A	-1.0861
97	E	A	-1.7926
98	D	A	0.0000
99	V	A	1.2735
100	G	A	1.0030
101	V	A	2.1444
102	Y	A	1.4447
103	Y	A	1.3226
104	C	A	0.4022
105	M	A	0.0251
106	Q	A	-0.9670
107	R	A	-2.0822
108	I	A	-0.8041
109	E	A	-1.1380
114	F	A	0.8771
115	P	A	0.9404
116	L	A	2.1641
117	T	A	1.6871
118	F	A	1.8546
119	G	A	0.0915
120	G	A	-0.6467
121	G	A	-0.7672
122	T	A	-1.0225
123	K	A	-1.4928
124	V	A	0.4260
125	E	A	-0.7740
126	I	A	0.6798
127	K	A	-1.1091