Project name: cf26fb470c8cb21

Chain sequence(s)	A: MAEEIKNVPEQEVPKVATEESSAEVTDRGLFDFLGKKKDETKPEETPIASEFEQKVHISEPEPEVKHESLLEKLHRSDSSSSSSSEEEGSDGEKRKKKKEKKKPTTEVEVKEEEKKGFMEKLKEKLPGHKKPEDGSAVAAAPVVVPPPVEEAHPVEKKGILEKIKEKLPGYHPKTTVEEEKKDKE
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.                                          (00:00:02)

• Minimal score value: -5.3623
• Maximal score value: 3.3478
• Average score: -1.7583
• Total score value: -325.2788

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	0.3581
2	A	A	-0.5513
3	E	A	-2.0708
4	E	A	-2.2836
5	I	A	-0.3550
6	K	A	-1.6734
7	N	A	-1.1791
8	V	A	0.1074
9	P	A	-1.4625
10	E	A	-2.5117
11	Q	A	-2.3049
12	E	A	-2.4668
13	V	A	-0.0985
14	P	A	-0.3164
15	K	A	-0.6601
16	V	A	0.8724
17	A	A	-0.4972
18	T	A	-1.2333
19	E	A	-2.5659
20	E	A	-2.8964
21	S	A	-2.1277
22	S	A	-1.4695
23	A	A	-1.0606
24	E	A	-1.3132
25	V	A	-0.0079
26	T	A	-1.4247
27	D	A	-2.2488
28	R	A	-1.9247
29	G	A	-0.4015
30	L	A	1.7426
31	F	A	2.3899
32	D	A	0.3875
33	F	A	2.2040
34	L	A	1.6310
35	G	A	-0.8293
36	K	A	-3.0687
37	K	A	-3.7521
38	K	A	-4.5037
39	D	A	-4.4511
40	E	A	-3.8303
41	T	A	-2.8516
42	K	A	-3.3607
43	P	A	-2.8024
44	E	A	-3.4271
45	E	A	-2.8590
46	T	A	-1.0907
47	P	A	-0.2897
48	I	A	1.4829
49	A	A	0.4882
50	S	A	-0.6674
51	E	A	-1.5642
52	F	A	0.0011
53	E	A	-2.2262
54	Q	A	-2.3714
55	K	A	-1.7114
56	V	A	0.4284
57	H	A	-0.5930
58	I	A	0.9395
59	S	A	-0.6163
60	E	A	-2.0702
61	P	A	-2.0662
62	E	A	-2.7887
63	P	A	-2.1121
64	E	A	-2.0819
65	V	A	-0.7744
66	K	A	-2.3708
67	H	A	-2.2536
68	E	A	-2.6766
69	S	A	-1.0373
70	L	A	0.7155
71	L	A	0.7863
72	E	A	-1.9408
73	K	A	-1.7460
74	L	A	-0.1538
75	H	A	-2.2594
76	R	A	-2.9236
77	S	A	-2.4203
78	D	A	-2.8071
79	S	A	-1.7988
80	S	A	-1.1257
81	S	A	-0.9136
82	S	A	-0.6225
83	S	A	-0.8146
84	S	A	-1.2670
85	S	A	-2.0506
86	E	A	-3.4716
87	E	A	-3.8490
88	E	A	-3.7864
89	G	A	-2.7993
90	S	A	-2.4499
91	D	A	-3.1602
92	G	A	-2.9896
93	E	A	-4.0857
94	K	A	-4.5170
95	R	A	-4.6542
96	K	A	-4.5513
97	K	A	-4.4248
98	K	A	-4.3874
99	K	A	-4.2096
100	E	A	-4.4226
101	K	A	-4.2629
102	K	A	-3.8521
103	K	A	-3.2846
104	P	A	-1.8473
105	T	A	-1.3143
106	T	A	-0.9733
107	E	A	-1.6614
108	V	A	-0.6699
109	E	A	-2.4415
110	V	A	-1.5770
111	K	A	-3.8367
112	E	A	-4.7936
113	E	A	-4.5697
114	E	A	-4.3740
115	K	A	-4.3521
116	K	A	-4.1754
117	G	A	-2.7286
118	F	A	-1.0296
119	M	A	-1.4680
120	E	A	-3.2134
121	K	A	-2.9026
122	L	A	-1.2814
123	K	A	-3.5254
124	E	A	-3.8891
125	K	A	-2.9488
126	L	A	-1.4549
127	P	A	-1.3861
128	G	A	-2.1939
129	H	A	-3.1534
130	K	A	-3.8578
131	K	A	-3.9758
132	P	A	-3.0973
133	E	A	-3.7195
134	D	A	-3.2248
135	G	A	-1.7582
136	S	A	-0.8023
137	A	A	0.5172
138	V	A	1.7418
139	A	A	0.9651
140	A	A	0.6792
141	A	A	0.7992
142	P	A	1.3524
143	V	A	3.0515
144	V	A	3.3478
145	V	A	2.9212
146	P	A	1.3512
147	P	A	0.4489
148	P	A	-0.2163
149	V	A	0.1546
150	E	A	-2.0945
151	E	A	-2.5626
152	A	A	-1.3853
153	H	A	-1.7245
154	P	A	-0.9643
155	V	A	-0.3890
156	E	A	-2.6261
157	K	A	-2.9098
158	K	A	-3.1093
159	G	A	-1.0773
160	I	A	1.1709
161	L	A	0.7752
162	E	A	-2.3151
163	K	A	-2.0319
164	I	A	0.4446
165	K	A	-1.3478
166	E	A	-2.8929
167	K	A	-2.0824
168	L	A	-0.3407
169	P	A	-0.6543
170	G	A	-0.9028
171	Y	A	-0.4200
172	H	A	-1.5990
173	P	A	-1.0975
174	K	A	-2.2117
175	T	A	-1.3014
176	T	A	-0.4750
177	V	A	-0.2853
178	E	A	-3.3211
179	E	A	-4.3819
180	E	A	-5.1358
181	K	A	-5.3623
182	K	A	-5.1011
183	D	A	-4.7753
184	K	A	-4.5665
185	E	A	-3.4709