Project name: 3b68c3d0aeaf069

Chain sequence(s)	A: RLEELIARAEEIAARVEEVLAEAEKEIKKGDAESQKYLPEFLKQAAELRALQAQLLAALRAEDWAAAAATLKQLLAAGEKMIEIMKKAKVPEEIIERAREILREGEKLLAELEAMVAATS
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                                          (00:03:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:39)

• Minimal score value: -4.0018
• Maximal score value: 0.0
• Average score: -1.7126
• Total score value: -205.5127

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	R	A	-2.8835
2	L	A	-2.8023
3	E	A	-3.4121
4	E	A	-3.4857
5	L	A	0.0000
6	I	A	-2.3408
7	A	A	-2.4643
8	R	A	-2.3222
9	A	A	0.0000
10	E	A	-2.9620
11	E	A	-3.0084
12	I	A	0.0000
13	A	A	-2.0432
14	A	A	-2.1237
15	R	A	-2.0971
16	V	A	-1.6618
17	E	A	-2.3632
18	E	A	-2.6156
19	V	A	0.0000
20	L	A	0.0000
21	A	A	-1.9412
22	E	A	-2.2076
23	A	A	0.0000
24	E	A	-2.3515
25	K	A	-3.3591
26	E	A	-3.6513
27	I	A	0.0000
28	K	A	-3.4790
29	K	A	-3.6335
30	G	A	-3.7711
31	D	A	-3.7220
32	A	A	-2.7585
33	E	A	-3.4727
34	S	A	0.0000
35	Q	A	-3.4841
36	K	A	-3.1692
37	Y	A	-1.9603
38	L	A	-1.5908
39	P	A	-1.3487
40	E	A	-1.8417
41	F	A	0.0000
42	L	A	-0.6870
43	K	A	-2.1268
44	Q	A	0.0000
45	A	A	0.0000
46	A	A	-1.4757
47	E	A	-1.9408
48	L	A	0.0000
49	R	A	-1.6892
50	A	A	-1.1013
51	L	A	-1.0742
52	Q	A	-1.1431
53	A	A	-0.9125
54	Q	A	-1.0985
55	L	A	0.0000
56	L	A	-0.9494
57	A	A	-1.1556
58	A	A	0.0000
59	L	A	0.0000
60	R	A	-2.7444
61	A	A	-1.9581
62	E	A	-2.6565
63	D	A	-2.1305
64	W	A	0.0000
65	A	A	-0.6698
66	A	A	-0.7214
67	A	A	0.0000
68	A	A	0.0000
69	A	A	-0.7286
70	T	A	0.0000
71	L	A	0.0000
72	K	A	-1.8339
73	Q	A	-1.4532
74	L	A	-1.3745
75	L	A	-1.6301
76	A	A	-1.4782
77	A	A	0.0000
78	G	A	-2.0406
79	E	A	-3.1508
80	K	A	-3.1405
81	M	A	0.0000
82	I	A	0.0000
83	E	A	-3.3290
84	I	A	-2.4719
85	M	A	0.0000
86	K	A	-3.6215
87	K	A	-3.2046
88	A	A	0.0000
89	K	A	-3.7801
90	V	A	0.0000
91	P	A	-2.7140
92	E	A	-3.7738
93	E	A	-3.5561
94	I	A	0.0000
95	I	A	-3.2842
96	E	A	-4.0018
97	R	A	-3.2516
98	A	A	-3.0247
99	R	A	-3.8016
100	E	A	-3.8264
101	I	A	-2.4896
102	L	A	-2.9474
103	R	A	-3.9020
104	E	A	-2.8712
105	G	A	0.0000
106	E	A	-3.7232
107	K	A	-3.2189
108	L	A	0.0000
109	L	A	-2.1560
110	A	A	-1.7603
111	E	A	-1.7826
112	L	A	0.0000
113	E	A	-1.4967
114	A	A	-0.7052
115	M	A	-0.5749
116	V	A	-0.4747
117	A	A	-0.1059
118	A	A	-0.0144
119	T	A	-0.1944
120	S	A	-0.0606