Project name: G12D4

Chain sequence(s)	E: NAGVEQSPKHVTLPEGASMTLQCTQDMNHNYMYWYRQDPGKGLKLIYYSVGAGITDKGEVPNGYNVSRSTTEDFPLRLESVAPSQTSVYFCASSGQGETGELFFGEGSRLTVT; D: AQSVEQSPSHVSVPEGASVTLRCNYSSSVPPYLFWYVQDPGQGLQLLLKYTTGATLVKGINGFEAEFDKSEKSFHLTKPSVHPSDAAEYFCAVKGTALIFGQGTTLTVT
Selected Chain(s)	E,D
Distance of aggregation	10 Å
FoldX usage	No
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -3.2349
• Maximal score value: 1.5181
• Average score: -0.8603
• Total score value: -190.9807

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	A	D	0.0292
2	Q	D	-0.0574
3	S	D	-0.6995
4	V	D	0.0000
5	E	D	-2.7373
6	Q	D	-2.1933
7	S	D	-1.7791
8	P	D	-1.2959
9	S	D	-1.4290
10	H	D	-1.1061
11	V	D	-0.3175
12	S	D	-0.4098
13	V	D	-0.6032
14	P	D	-1.3816
15	E	D	-2.5408
16	G	D	-1.7634
17	A	D	-1.1196
18	S	D	-0.8353
19	V	D	0.0000
20	T	D	-0.6966
21	L	D	0.0000
22	R	D	-2.5102
23	C	D	0.0000
24	N	D	-2.5094
25	Y	D	0.0000
26	S	D	-0.6914
27	S	D	0.0804
28	S	D	0.5242
29	V	D	1.5181
30	P	D	0.3349
31	P	D	0.0000
32	Y	D	-0.0455
33	L	D	0.0000
34	F	D	0.0000
35	W	D	0.0000
36	Y	D	0.0000
37	V	D	0.0000
38	Q	D	0.0000
39	D	D	-1.6959
40	P	D	-1.2789
41	G	D	-1.7946
42	Q	D	-2.5131
43	G	D	-1.7443
44	L	D	0.0000
45	Q	D	-1.0033
46	L	D	-0.0905
47	L	D	0.0000
48	L	D	0.0000
49	K	D	-0.5841
50	Y	D	-0.3161
51	T	D	-0.3442
52	T	D	-0.3072
53	G	D	-0.2918
54	A	D	-0.1777
55	T	D	-0.5848
56	L	D	-0.0687
57	V	D	-0.7541
58	K	D	-1.8970
59	G	D	-0.9343
60	I	D	-0.4485
61	N	D	-1.4932
62	G	D	-1.3366
63	F	D	0.0000
64	E	D	-1.5130
65	A	D	0.0000
66	E	D	-1.9830
67	F	D	0.0000
68	D	D	-2.8146
69	K	D	-3.2349
70	S	D	-2.4090
71	E	D	-3.1917
72	K	D	-2.9674
73	S	D	0.0000
74	F	D	0.0000
75	H	D	-1.8893
76	L	D	0.0000
77	T	D	-1.1277
78	K	D	0.0000
79	P	D	-0.6296
80	S	D	-1.1936
81	V	D	0.0000
82	H	D	-2.0302
83	P	D	-1.2847
84	S	D	-1.0497
85	D	D	0.0000
86	A	D	-0.4582
87	A	D	0.0000
88	E	D	-0.8859
89	Y	D	0.0000
90	F	D	0.0000
91	C	D	0.0000
92	A	D	0.0000
93	V	D	0.0000
94	K	D	-0.4489
95	G	D	-0.1964
96	T	D	-0.2964
97	A	D	0.0000
98	L	D	0.0000
99	I	D	-0.1445
100	F	D	0.0000
101	G	D	0.0000
102	Q	D	-2.3802
103	G	D	0.0000
104	T	D	0.0000
105	T	D	-0.7490
106	L	D	0.0000
107	T	D	-0.5105
108	V	D	-0.7394
109	T	D	-0.7700
1	N	E	-1.4938
2	A	E	-1.3563
3	G	E	-1.3536
4	V	E	0.0000
5	E	E	-2.9308
6	Q	E	-2.1540
7	S	E	-1.9939
8	P	E	-1.8466
9	K	E	-3.1767
10	H	E	-2.2483
11	V	E	-0.9695
12	T	E	-0.5503
13	L	E	-0.4664
14	P	E	-1.2791
15	E	E	-2.2887
16	G	E	-1.8385
17	A	E	-1.3074
18	S	E	-1.6028
19	M	E	-0.9992
20	T	E	-1.3625
21	L	E	0.0000
22	Q	E	-1.8078
23	C	E	0.0000
24	T	E	-1.8741
25	Q	E	0.0000
26	D	E	-2.8306
27	M	E	-1.8466
28	N	E	-2.3327
29	H	E	-1.7832
30	N	E	-1.4966
31	Y	E	-0.3649
32	M	E	0.0000
33	Y	E	0.0000
34	W	E	0.0000
35	Y	E	0.0000
36	R	E	-0.9336
37	Q	E	0.0000
38	D	E	-1.4057
39	P	E	-1.1860
40	G	E	-1.7576
41	K	E	-2.7270
42	G	E	-1.9058
43	L	E	0.0000
44	K	E	-1.9921
45	L	E	0.0000
46	I	E	0.0000
47	Y	E	0.0000
48	Y	E	-0.3039
49	S	E	0.0000
50	V	E	0.4837
51	G	E	0.0159
52	A	E	-0.0720
53	G	E	0.4383
54	I	E	1.4134
55	T	E	-0.1710
56	D	E	-1.6934
57	K	E	-2.9887
58	G	E	-2.3430
59	E	E	-2.4413
60	V	E	-1.4973
61	P	E	-2.0050
62	N	E	-1.9935
63	G	E	-1.8998
64	Y	E	0.0000
65	N	E	-2.3638
66	V	E	-1.0231
67	S	E	-0.5869
68	R	E	0.0000
69	S	E	-0.3901
70	T	E	-1.0290
71	T	E	-1.5792
72	E	E	-2.2620
73	D	E	-1.8532
74	F	E	0.0000
75	P	E	-1.1885
76	L	E	0.0000
77	R	E	-2.7763
78	L	E	0.0000
79	E	E	-2.7726
80	S	E	-2.0319
81	V	E	0.0000
82	A	E	-1.2427
83	P	E	-0.8666
84	S	E	-0.6154
85	Q	E	0.0000
86	T	E	-0.4831
87	S	E	0.0000
88	V	E	-1.0789
89	Y	E	0.0000
90	F	E	0.0000
91	C	E	0.0000
92	A	E	0.0000
93	S	E	0.0000
94	S	E	0.0000
95	G	E	-1.4751
96	Q	E	-1.7975
97	G	E	-1.6476
98	E	E	-2.2474
99	T	E	-1.3249
100	G	E	0.0000
101	E	E	-0.5572
102	L	E	0.0000
103	F	E	0.8389
104	F	E	-0.3966
105	G	E	0.0000
106	E	E	-3.1174
107	G	E	0.0000
108	S	E	0.0000
109	R	E	-2.3455
110	L	E	0.0000
111	T	E	-0.7180
112	V	E	0.0000
113	T	E	-0.7370