Project name: e9cb1e20a2bd58f

Chain sequence(s)	A: MNSHQNQTGVQKKGITEKIMEKLPGHHGPTNTGVVHHEKKGMTEKVMEQLPGHHGATGTGGVHHEKKGMTEKVMEQLPGHHGSHQTGTNTTYGTTNTGGVHHEKKSVTEKVMEKLPGHHGSHQTGTNTAYGTNTNVVHHEKKGIAEKIKEQLPGHHGTHKTGTTTSYGNTGVVHHENKSTMDKIKEKLPGGHH
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: -3.8037
• Maximal score value: 1.8915
• Average score: -1.1623
• Total score value: -224.3324

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	0.3916
2	N	A	-1.2567
3	S	A	-1.5180
4	H	A	-2.5494
5	Q	A	-2.9075
6	N	A	-2.8316
7	Q	A	-2.2192
8	T	A	-1.1532
9	G	A	-0.7102
10	V	A	-0.0208
11	Q	A	-1.9158
12	K	A	-2.4758
13	K	A	-2.3597
14	G	A	-1.2457
15	I	A	0.2454
16	T	A	-0.5267
17	E	A	-1.4642
18	K	A	-1.2609
19	I	A	0.3731
20	M	A	0.2053
21	E	A	-1.4516
22	K	A	-1.2972
23	L	A	-0.0080
24	P	A	-0.7147
25	G	A	-1.1824
26	H	A	-1.6087
27	H	A	-1.9552
28	G	A	-1.6028
29	P	A	-1.2607
30	T	A	-1.2267
31	N	A	-1.3888
32	T	A	-0.5527
33	G	A	0.3903
34	V	A	1.8915
35	V	A	1.5919
36	H	A	-0.8787
37	H	A	-2.3816
38	E	A	-3.6184
39	K	A	-3.7870
40	K	A	-3.0881
41	G	A	-1.5962
42	M	A	-0.3484
43	T	A	-1.1475
44	E	A	-2.0355
45	K	A	-1.6379
46	V	A	0.4293
47	M	A	0.3199
48	E	A	-1.2558
49	Q	A	-0.9233
50	L	A	0.4004
51	P	A	-0.5700
52	G	A	-1.0784
53	H	A	-1.8730
54	H	A	-1.8439
55	G	A	-1.2273
56	A	A	-0.6990
57	T	A	-0.4746
58	G	A	-0.7283
59	T	A	-0.6382
60	G	A	-0.5247
61	G	A	-0.2382
62	V	A	0.4442
63	H	A	-1.4644
64	H	A	-2.6395
65	E	A	-3.7559
66	K	A	-3.8037
67	K	A	-3.2407
68	G	A	-1.8035
69	M	A	-0.5375
70	T	A	-0.9614
71	E	A	-1.9546
72	K	A	-1.6766
73	V	A	0.3682
74	M	A	0.2716
75	E	A	-1.3578
76	Q	A	-0.8273
77	L	A	0.4337
78	P	A	-0.5162
79	G	A	-0.9526
80	H	A	-1.8704
81	H	A	-1.8764
82	G	A	-1.4846
83	S	A	-1.4161
84	H	A	-1.9277
85	Q	A	-1.9453
86	T	A	-1.0937
87	G	A	-1.2268
88	T	A	-0.9455
89	N	A	-1.3411
90	T	A	-0.5041
91	T	A	0.1088
92	Y	A	0.8948
93	G	A	-0.0396
94	T	A	-0.3581
95	T	A	-0.8841
96	N	A	-1.5689
97	T	A	-0.8752
98	G	A	-0.6667
99	G	A	-0.3691
100	V	A	0.4334
101	H	A	-1.3986
102	H	A	-2.5302
103	E	A	-3.4859
104	K	A	-3.5407
105	K	A	-2.8552
106	S	A	-1.1217
107	V	A	-0.0031
108	T	A	-0.5606
109	E	A	-1.6253
110	K	A	-1.3888
111	V	A	0.3139
112	M	A	0.0994
113	E	A	-1.5601
114	K	A	-1.4863
115	L	A	0.0391
116	P	A	-0.7180
117	G	A	-1.1828
118	H	A	-1.6782
119	H	A	-2.0165
120	G	A	-1.7433
121	S	A	-1.6562
122	H	A	-1.9738
123	Q	A	-1.9794
124	T	A	-1.2990
125	G	A	-1.3610
126	T	A	-1.0934
127	N	A	-1.4599
128	T	A	-0.4957
129	A	A	0.2636
130	Y	A	0.9392
131	G	A	-0.1663
132	T	A	-0.7721
133	N	A	-1.4399
134	T	A	-0.7822
135	N	A	-0.4471
136	V	A	1.4074
137	V	A	1.3130
138	H	A	-0.9723
139	H	A	-2.2699
140	E	A	-3.7666
141	K	A	-3.6380
142	K	A	-2.9370
143	G	A	-1.3567
144	I	A	0.3688
145	A	A	-0.4388
146	E	A	-1.9029
147	K	A	-1.9677
148	I	A	-0.6809
149	K	A	-2.3986
150	E	A	-2.6018
151	Q	A	-1.5032
152	L	A	-0.0343
153	P	A	-0.5897
154	G	A	-1.1555
155	H	A	-1.7103
156	H	A	-2.0118
157	G	A	-1.7262
158	T	A	-1.5954
159	H	A	-2.1722
160	K	A	-2.4230
161	T	A	-1.4316
162	G	A	-1.1462
163	T	A	-0.5855
164	T	A	-0.3260
165	T	A	-0.0487
166	S	A	0.1001
167	Y	A	0.6767
168	G	A	-0.5874
169	N	A	-1.1608
170	T	A	-0.1173
171	G	A	0.2898
172	V	A	1.8180
173	V	A	1.4765
174	H	A	-0.8283
175	H	A	-2.1816
176	E	A	-3.4323
177	N	A	-3.3875
178	K	A	-2.8320
179	S	A	-1.6433
180	T	A	-1.0515
181	M	A	-0.3792
182	D	A	-1.9391
183	K	A	-2.0480
184	I	A	-0.6008
185	K	A	-2.4884
186	E	A	-2.8405
187	K	A	-2.0536
188	L	A	-0.3079
189	P	A	-0.6692
190	G	A	-0.9592
191	G	A	-1.2718
192	H	A	-1.8612
193	H	A	-1.6343