Project name: c7381fd7122e708

Chain sequence(s)	A: MADQYEQNKPSVEETVGANVEATDRGLFDFIGKKEEEKPSHAHEEEAISSEFCEKVKVSEEEEHKEKEKKEEKKLHRSSSSSSSSSDEEEEIGEDGQIIKKKKKKGLKEKIKEKISGDHKEEVKTEDTSVPVEKYEETEEKKGFLEKIKEKLPGGGHKKTEEVAAPPPPPPAAVDHEAEGKEKKGFLDKIKEKLPGYHSKTEEEKEKEKD
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: -5.9561
• Maximal score value: 2.3231
• Average score: -2.1053
• Total score value: -442.1147

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	0.5528
2	A	A	-0.3746
3	D	A	-1.9807
4	Q	A	-2.0330
5	Y	A	-1.1594
6	E	A	-2.9463
7	Q	A	-3.0855
8	N	A	-3.1157
9	K	A	-2.8521
10	P	A	-1.4140
11	S	A	-0.9963
12	V	A	-0.0965
13	E	A	-1.6892
14	E	A	-1.7625
15	T	A	-0.4624
16	V	A	0.4938
17	G	A	0.0594
18	A	A	-0.1297
19	N	A	-0.9063
20	V	A	0.2129
21	E	A	-1.6353
22	A	A	-1.3550
23	T	A	-2.0996
24	D	A	-2.8698
25	R	A	-2.3569
26	G	A	-0.6659
27	L	A	1.7028
28	F	A	2.1794
29	D	A	-0.0729
30	F	A	2.3231
31	I	A	2.2064
32	G	A	-0.6921
33	K	A	-3.0371
34	K	A	-3.9093
35	E	A	-4.4782
36	E	A	-4.5843
37	E	A	-4.2380
38	K	A	-3.3254
39	P	A	-2.2463
40	S	A	-1.6203
41	H	A	-2.0276
42	A	A	-2.2487
43	H	A	-2.8578
44	E	A	-3.3839
45	E	A	-3.3438
46	E	A	-3.2196
47	A	A	-1.5620
48	I	A	0.1711
49	S	A	-0.6112
50	S	A	-1.1219
51	E	A	-1.1847
52	F	A	0.8795
53	C	A	0.0674
54	E	A	-2.0627
55	K	A	-1.5219
56	V	A	0.5184
57	K	A	-0.8086
58	V	A	0.0940
59	S	A	-1.0250
60	E	A	-3.0910
61	E	A	-3.8195
62	E	A	-4.2301
63	E	A	-4.1299
64	H	A	-3.6884
65	K	A	-3.8918
66	E	A	-4.3370
67	K	A	-4.5744
68	E	A	-4.5722
69	K	A	-4.8223
70	K	A	-4.8710
71	E	A	-5.1170
72	E	A	-4.6454
73	K	A	-3.9134
74	K	A	-3.2728
75	L	A	-1.2940
76	H	A	-1.9821
77	R	A	-2.2611
78	S	A	-1.4000
79	S	A	-1.0064
80	S	A	-0.8433
81	S	A	-0.6118
82	S	A	-0.5995
83	S	A	-0.5936
84	S	A	-0.7576
85	S	A	-1.1611
86	S	A	-1.9082
87	D	A	-3.6094
88	E	A	-4.3606
89	E	A	-4.3933
90	E	A	-3.2146
91	E	A	-2.4988
92	I	A	0.0482
93	G	A	-0.8882
94	E	A	-2.5698
95	D	A	-2.6373
96	G	A	-1.3113
97	Q	A	-0.7220
98	I	A	0.9562
99	I	A	0.7733
100	K	A	-2.3489
101	K	A	-3.3952
102	K	A	-4.2944
103	K	A	-4.6274
104	K	A	-3.8458
105	K	A	-3.5873
106	G	A	-2.1745
107	L	A	-0.8281
108	K	A	-2.8842
109	E	A	-3.7952
110	K	A	-3.0522
111	I	A	-1.1282
112	K	A	-3.0158
113	E	A	-3.9609
114	K	A	-2.7177
115	I	A	-0.3352
116	S	A	-1.5717
117	G	A	-2.6423
118	D	A	-3.5648
119	H	A	-3.5628
120	K	A	-3.9272
121	E	A	-3.8349
122	E	A	-2.8511
123	V	A	-0.8167
124	K	A	-2.2956
125	T	A	-1.9493
126	E	A	-2.9148
127	D	A	-2.9778
128	T	A	-1.0040
129	S	A	0.3956
130	V	A	1.8143
131	P	A	0.6312
132	V	A	0.9711
133	E	A	-1.4573
134	K	A	-2.2746
135	Y	A	-1.7625
136	E	A	-4.0538
137	E	A	-4.2283
138	T	A	-3.6409
139	E	A	-4.4620
140	E	A	-4.3791
141	K	A	-3.9175
142	K	A	-3.7032
143	G	A	-2.5280
144	F	A	-0.8071
145	L	A	-1.1923
146	E	A	-3.2963
147	K	A	-2.6424
148	I	A	-1.0164
149	K	A	-2.9331
150	E	A	-3.7360
151	K	A	-2.7505
152	L	A	-0.6961
153	P	A	-0.7293
154	G	A	-1.5762
155	G	A	-2.6874
156	G	A	-2.7003
157	H	A	-3.2542
158	K	A	-3.4888
159	K	A	-3.6985
160	T	A	-2.6319
161	E	A	-2.7523
162	E	A	-2.1349
163	V	A	0.2469
164	A	A	0.1298
165	A	A	-0.0676
166	P	A	-0.2250
167	P	A	-0.5647
168	P	A	-0.6464
169	P	A	-0.6380
170	P	A	-0.5678
171	P	A	-0.1695
172	A	A	0.1206
173	A	A	0.2543
174	V	A	0.3718
175	D	A	-1.9293
176	H	A	-2.5045
177	E	A	-3.1451
178	A	A	-2.5360
179	E	A	-3.3694
180	G	A	-3.3351
181	K	A	-4.0543
182	E	A	-4.4620
183	K	A	-3.8756
184	K	A	-3.3367
185	G	A	-0.9715
186	F	A	1.1217
187	L	A	0.9225
188	D	A	-1.5655
189	K	A	-1.9124
190	I	A	-0.0647
191	K	A	-1.2072
192	E	A	-2.6570
193	K	A	-2.1997
194	L	A	-0.3402
195	P	A	-0.5041
196	G	A	-0.8419
197	Y	A	-0.7036
198	H	A	-2.0408
199	S	A	-2.5009
200	K	A	-3.6634
201	T	A	-3.2273
202	E	A	-4.4544
203	E	A	-5.3769
204	E	A	-5.8193
205	K	A	-5.9215
206	E	A	-5.9561
207	K	A	-5.6359
208	E	A	-5.1817
209	K	A	-4.6280
210	D	A	-3.7268