Project name: ddbc2b6a54fdb95

Chain sequence(s)	A: MAESDGAEYRCFVGSLSWNTDDRGLEAAFSSFGEILDAKIINDRETGRSRGFGFVSFSNEQAMQDAIEGMNGKELDGRSIVVNEAQSRGYGGGGGGRYGGGGGGGGGRYGGGGAYGQRRDDGYGDDGYGGGRGYGGGRYGGGRGYGGRRDGGYGRGGNSDGY
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: -4.4215
• Maximal score value: 0.6621
• Average score: -1.5383
• Total score value: -249.2117

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	0.5573
2	A	A	-0.6399
3	E	A	-2.1041
4	S	A	-1.9702
5	D	A	-2.6903
6	G	A	-2.1581
7	A	A	-1.9585
8	E	A	-2.5322
9	Y	A	-1.9276
10	R	A	-1.6628
11	C	A	0.0000
12	F	A	-0.2323
13	V	A	0.0000
14	G	A	0.0000
15	S	A	-0.2784
16	L	A	0.0000
17	S	A	0.0000
18	W	A	-0.8550
19	N	A	-1.6585
20	T	A	-1.8665
21	D	A	-3.5382
22	D	A	-3.7434
23	R	A	-3.7668
24	G	A	-2.7499
25	L	A	0.0000
26	E	A	-3.1871
27	A	A	-1.3684
28	A	A	-0.8356
29	F	A	0.0000
30	S	A	-1.0035
31	S	A	-0.4248
32	F	A	-0.5905
33	G	A	-1.5068
34	E	A	-1.9367
35	I	A	-0.8564
36	L	A	-0.1267
37	D	A	-1.8286
38	A	A	-2.2329
39	K	A	-2.5172
40	I	A	-1.3435
41	I	A	-1.0766
42	N	A	-3.1926
43	D	A	-3.6569
44	R	A	-3.9594
45	E	A	-3.4826
46	T	A	-2.8232
47	G	A	-3.2182
48	R	A	-3.5970
49	S	A	-2.6919
50	R	A	-2.7221
51	G	A	0.0000
52	F	A	-0.1736
53	G	A	0.0000
54	F	A	-0.1652
55	V	A	0.0000
56	S	A	-1.2161
57	F	A	0.0000
58	S	A	-1.5919
59	N	A	-2.6560
60	E	A	-3.4608
61	Q	A	-2.9544
62	A	A	0.0000
63	M	A	0.0000
64	Q	A	-3.5031
65	D	A	-3.3417
66	A	A	0.0000
67	I	A	-2.4256
68	E	A	-3.3751
69	G	A	-2.1954
70	M	A	-2.0503
71	N	A	-2.4959
72	G	A	-2.2696
73	K	A	-3.3065
74	E	A	-3.3553
75	L	A	-2.0569
76	D	A	-2.6583
77	G	A	-2.2339
78	R	A	-2.2030
79	S	A	-2.1524
80	I	A	0.0000
81	V	A	-0.2018
82	V	A	0.0000
83	N	A	-2.1513
84	E	A	-2.3104
85	A	A	0.0000
86	Q	A	-2.3782
87	S	A	-2.0635
88	R	A	-2.3428
89	G	A	-1.6108
90	Y	A	-0.1271
91	G	A	-0.8471
92	G	A	-0.7706
93	G	A	-1.2198
94	G	A	-1.2251
95	G	A	-1.2641
96	G	A	-1.5341
97	R	A	-1.6881
98	Y	A	-0.1116
99	G	A	-0.5848
100	G	A	-0.9689
101	G	A	-1.1620
102	G	A	-1.1623
103	G	A	-1.1633
104	G	A	-1.2199
105	G	A	-1.1645
106	G	A	-1.4637
107	G	A	-1.4875
108	R	A	-1.5616
109	Y	A	-0.1351
110	G	A	-0.5922
111	G	A	-0.7939
112	G	A	-0.9370
113	G	A	-0.5972
114	A	A	0.0997
115	Y	A	0.4372
116	G	A	-0.8498
117	Q	A	-2.6907
118	R	A	-3.6948
119	R	A	-4.4215
120	D	A	-4.2885
121	D	A	-3.0392
122	G	A	-1.3866
123	Y	A	0.0895
124	G	A	-1.1608
125	D	A	-2.7793
126	D	A	-2.7986
127	G	A	-1.1926
128	Y	A	0.2554
129	G	A	-0.3976
130	G	A	-1.0087
131	G	A	-1.6560
132	R	A	-2.1379
133	G	A	-0.9278
134	Y	A	0.3972
135	G	A	-0.2190
136	G	A	-1.0514
137	G	A	-1.4336
138	R	A	-1.6224
139	Y	A	-0.0012
140	G	A	-0.5550
141	G	A	-1.0308
142	G	A	-1.8194
143	R	A	-2.1205
144	G	A	-0.9364
145	Y	A	0.1831
146	G	A	-0.7679
147	G	A	-2.1120
148	R	A	-3.4506
149	R	A	-4.1381
150	D	A	-3.6520
151	G	A	-1.7258
152	G	A	-1.0379
153	Y	A	0.2278
154	G	A	-1.0447
155	R	A	-2.2694
156	G	A	-1.9551
157	G	A	-2.0018
158	N	A	-2.3575
159	S	A	-1.9683
160	D	A	-2.1893
161	G	A	-1.0373
162	Y	A	0.6621