Project name: f88101302d66e71

Chain sequence(s)	A: MATIATGLNIATQRVFVTSENRPVCLAGPVHLNNSWNLGSRTTNRMMKLQPIKAAPEGGISDVVEKSIKEAQETCAGDPVSGECVAAWDEVEELSAAASHARDKKKADGSDPLEEYCKDNPETNECRTYDN
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter 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 A 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.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -5.3192
• Maximal score value: 2.6785
• Average score: -1.3211
• Total score value: -173.0641

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	1.0885
2	A	A	0.3827
3	T	A	0.6145
4	I	A	1.9974
5	A	A	1.1503
6	T	A	1.4249
7	G	A	1.1329
8	L	A	1.4544
9	N	A	0.3870
10	I	A	1.5303
11	A	A	0.4739
12	T	A	-0.3820
13	Q	A	-0.6575
14	R	A	-0.6036
15	V	A	1.2661
16	F	A	2.0790
17	V	A	2.6785
18	T	A	0.9083
19	S	A	-0.5512
20	E	A	-2.3399
21	N	A	-2.9127
22	R	A	-2.3939
23	P	A	-0.3153
24	V	A	2.0261
25	C	A	2.4183
26	L	A	2.4102
27	A	A	1.4070
28	G	A	0.0223
29	P	A	-0.0507
30	V	A	0.8784
31	H	A	-0.2090
32	L	A	0.3632
33	N	A	-1.0996
34	N	A	-1.3234
35	S	A	-0.6019
36	W	A	0.2859
37	N	A	-0.3954
38	L	A	0.5707
39	G	A	-0.5341
40	S	A	-1.1177
41	R	A	-2.0488
42	T	A	-1.6318
43	T	A	-1.5995
44	N	A	-2.0009
45	R	A	-1.8950
46	M	A	0.0240
47	M	A	0.3514
48	K	A	-0.7491
49	L	A	0.8054
50	Q	A	-0.6443
51	P	A	-0.1486
52	I	A	0.9777
53	K	A	-0.9677
54	A	A	-0.5693
55	A	A	-0.5178
56	P	A	-1.7023
57	E	A	-2.1778
58	G	A	-1.6149
59	G	A	-0.9384
60	I	A	-0.2802
61	S	A	-1.1495
62	D	A	-2.8433
63	V	A	-1.7128
64	V	A	-2.3417
65	E	A	-3.4190
66	K	A	-3.9541
67	S	A	-3.2129
68	I	A	-2.9209
69	K	A	-4.1904
70	E	A	-4.0441
71	A	A	0.0000
72	Q	A	-3.2234
73	E	A	-3.4491
74	T	A	-2.3577
75	C	A	-1.6824
76	A	A	-1.6807
77	G	A	-1.3540
78	D	A	-1.4042
79	P	A	-0.2661
80	V	A	1.1437
81	S	A	-0.1629
82	G	A	-0.4934
83	E	A	-1.5017
84	C	A	0.0000
85	V	A	0.9100
86	A	A	-0.9677
87	A	A	-1.8785
88	W	A	-1.3461
89	D	A	-3.0866
90	E	A	-3.1767
91	V	A	0.0000
92	E	A	-3.4924
93	E	A	-3.4166
94	L	A	-1.6233
95	S	A	-1.5833
96	A	A	-1.6005
97	A	A	-1.1065
98	A	A	0.0000
99	S	A	-1.8859
100	H	A	-2.9404
101	A	A	-2.8934
102	R	A	-4.3139
103	D	A	-4.9327
104	K	A	-5.1720
105	K	A	-5.3192
106	K	A	-4.9885
107	A	A	-3.7429
108	D	A	-4.4668
109	G	A	-3.4546
110	S	A	-2.7196
111	D	A	-2.1555
112	P	A	-1.3945
113	L	A	-1.2139
114	E	A	-3.4562
115	E	A	-3.5610
116	Y	A	-1.6645
117	C	A	-3.1077
118	K	A	-3.5122
119	D	A	-3.2672
120	N	A	-3.0079
121	P	A	-3.1816
122	E	A	-3.5619
123	T	A	-2.8270
124	N	A	-3.2331
125	E	A	-3.1501
126	C	A	-2.9357
127	R	A	-3.0660
128	T	A	-1.5658
129	Y	A	-0.3524
130	D	A	-1.7814
131	N	A	-1.7848