Project name: 66a3744e0ef9317

Chain sequence(s)	A: MEGEKNSSGDLMSSSKLVAEAAKTAYEKKSVEGIDKEKVAAASADILDSAAKYGKLEDKPVGQYLEKAEGYLKQYSSGGTEKEKTDAPAAADAPKPDAPKEAAPAPAPAAEEEKSSDGFGLDDVMKGAASLSGKKSGEEEKESGGGGGFMKMAQGFMK
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: -4.3668
• Maximal score value: 1.7097
• Average score: -1.3567
• Total score value: -214.357

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	-0.1485
2	E	A	-2.3204
3	G	A	-2.4100
4	E	A	-3.3898
5	K	A	-3.5365
6	N	A	-2.3799
7	S	A	-1.8250
8	S	A	-0.9453
9	G	A	-1.0264
10	D	A	-2.0025
11	L	A	-0.7340
12	M	A	-0.0220
13	S	A	-0.7379
14	S	A	-0.7711
15	S	A	-0.5902
16	K	A	-1.6290
17	L	A	-0.9551
18	V	A	-0.9641
19	A	A	-1.4029
20	E	A	-2.1062
21	A	A	-1.4601
22	A	A	-1.1530
23	K	A	-2.5732
24	T	A	-2.0940
25	A	A	-1.4873
26	Y	A	-1.2152
27	E	A	-2.8136
28	K	A	-3.2548
29	K	A	-2.6753
30	S	A	-1.2658
31	V	A	-0.2662
32	E	A	-1.9717
33	G	A	-1.4541
34	I	A	-1.5737
35	D	A	-2.8174
36	K	A	-3.3855
37	E	A	-3.6338
38	K	A	-3.0662
39	V	A	-2.0082
40	A	A	-1.5145
41	A	A	-0.9707
42	A	A	0.0000
43	S	A	0.2086
44	A	A	0.2690
45	D	A	-0.2493
46	I	A	0.9369
47	L	A	1.1904
48	D	A	-0.4164
49	S	A	0.0000
50	A	A	0.0707
51	A	A	-1.0032
52	K	A	-2.0877
53	Y	A	-0.0874
54	G	A	-1.4605
55	K	A	-3.2368
56	L	A	-1.8182
57	E	A	-3.5037
58	D	A	-4.1110
59	K	A	-3.3222
60	P	A	-1.1575
61	V	A	-0.0996
62	G	A	-1.4607
63	Q	A	-1.7594
64	Y	A	0.3878
65	L	A	0.0043
66	E	A	-2.0553
67	K	A	-2.0066
68	A	A	-0.9623
69	E	A	-1.8334
70	G	A	-1.2718
71	Y	A	0.3384
72	L	A	0.2822
73	K	A	-1.5655
74	Q	A	-1.0313
75	Y	A	0.4440
76	S	A	-0.3131
77	S	A	-0.9354
78	G	A	-1.2051
79	G	A	-1.2566
80	T	A	-1.7454
81	E	A	-3.4089
82	K	A	-4.0796
83	E	A	-4.0154
84	K	A	-3.6178
85	T	A	-2.3564
86	D	A	-2.2427
87	A	A	-1.1701
88	P	A	-0.6649
89	A	A	-0.4937
90	A	A	-0.2962
91	A	A	-0.8215
92	D	A	-1.9980
93	A	A	-1.4805
94	P	A	-1.5769
95	K	A	-2.5848
96	P	A	-2.0375
97	D	A	-2.3394
98	A	A	-1.7789
99	P	A	-1.8551
100	K	A	-2.6746
101	E	A	-2.6348
102	A	A	-1.2526
103	A	A	-0.4658
104	P	A	-0.2360
105	A	A	-0.2097
106	P	A	-0.2955
107	A	A	-0.1539
108	P	A	-0.4361
109	A	A	-0.6705
110	A	A	-1.2660
111	E	A	-3.2348
112	E	A	-3.9592
113	E	A	-4.0726
114	K	A	-3.6048
115	S	A	-2.4710
116	S	A	-1.7831
117	D	A	-1.9954
118	G	A	-0.6035
119	F	A	1.0720
120	G	A	0.3571
121	L	A	0.9942
122	D	A	-1.2369
123	D	A	-1.2700
124	V	A	1.0410
125	M	A	0.1847
126	K	A	-1.5134
127	G	A	-0.4069
128	A	A	0.1485
129	A	A	-0.2458
130	S	A	-0.1223
131	L	A	0.3332
132	S	A	-0.7534
133	G	A	-1.3765
134	K	A	-2.5723
135	K	A	-2.9079
136	S	A	-2.1384
137	G	A	-2.4537
138	E	A	-3.5829
139	E	A	-4.0693
140	E	A	-4.3668
141	K	A	-3.9945
142	E	A	-3.2688
143	S	A	-1.7957
144	G	A	-1.5003
145	G	A	-1.1737
146	G	A	-0.6446
147	G	A	-0.4752
148	G	A	0.1296
149	F	A	1.7097
150	M	A	0.8766
151	K	A	-0.7462
152	M	A	0.9261
153	A	A	0.7980
154	Q	A	-0.5085
155	G	A	-0.0224
156	F	A	1.6471
157	M	A	0.7388
158	K	A	-0.9548