Project name: f1e00ccc32c775d

Chain sequence(s)	A: MAQAMASMAGLRGASQAVLEGSLQISGSNRLSGPTTSRVAVPKMGLNIRAQQVSAEAETSRRAMLGFVAAGLASGSFVKAVLAEARPIVVGPPPPLSGGLPGTENSDQARDGTLPYTKDRFYLQPLPPTEAAQRAKVSASEILNVKQFIDRKAWPSLQNDLRLRASYLRYDLKTVISAKPKDEKKSLQELTSKLFSSIDNLDHAAKIKSPTEAEKYYGQTVSNINEVLAKLG
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: -4.3638
• Maximal score value: 3.3018
• Average score: -0.6322
• Total score value: -146.6729

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	0.7891
2	A	A	0.1282
3	Q	A	-0.6016
4	A	A	0.1059
5	M	A	0.8740
6	A	A	0.6261
7	S	A	0.5748
8	M	A	1.1801
9	A	A	0.4256
10	G	A	-0.0257
11	L	A	0.4658
12	R	A	-1.4441
13	G	A	-1.2521
14	A	A	-0.7754
15	S	A	-0.6554
16	Q	A	-0.6533
17	A	A	0.5231
18	V	A	1.6695
19	L	A	1.2218
20	E	A	-0.8496
21	G	A	-0.6118
22	S	A	0.0095
23	L	A	1.2673
24	Q	A	0.3050
25	I	A	1.5947
26	S	A	0.2134
27	G	A	-0.9885
28	S	A	-1.1795
29	N	A	-2.0527
30	R	A	-1.9280
31	L	A	0.0443
32	S	A	-0.3656
33	G	A	-0.5138
34	P	A	-0.4447
35	T	A	-0.6330
36	T	A	-0.6119
37	S	A	-0.7550
38	R	A	-0.8852
39	V	A	1.2605
40	A	A	0.9105
41	V	A	1.6089
42	P	A	0.2237
43	K	A	-0.8119
44	M	A	0.3795
45	G	A	0.1408
46	L	A	1.1051
47	N	A	-0.0485
48	I	A	0.7367
49	R	A	-1.4747
50	A	A	-1.1795
51	Q	A	-1.6238
52	Q	A	-1.1443
53	V	A	0.8115
54	S	A	-0.0888
55	A	A	-0.8958
56	E	A	-2.2194
57	A	A	-1.7608
58	E	A	-2.2705
59	T	A	-1.6173
60	S	A	-1.9327
61	R	A	-2.3191
62	R	A	-2.1597
63	A	A	-0.4694
64	M	A	1.2870
65	L	A	1.9656
66	G	A	1.7132
67	F	A	3.3018
68	V	A	3.0063
69	A	A	1.4838
70	A	A	0.9051
71	G	A	0.5665
72	L	A	1.2433
73	A	A	0.4582
74	S	A	0.1230
75	G	A	0.3007
76	S	A	0.7667
77	F	A	2.0079
78	V	A	2.0587
79	K	A	0.5649
80	A	A	1.4007
81	V	A	2.0715
82	L	A	1.7300
83	A	A	0.2522
84	E	A	-1.6091
85	A	A	-1.2742
86	R	A	-1.6581
87	P	A	0.3876
88	I	A	2.7474
89	V	A	3.1466
90	V	A	2.9119
91	G	A	1.0438
92	P	A	-0.0246
93	P	A	-0.1599
94	P	A	-0.2797
95	P	A	0.1511
96	L	A	0.8133
97	S	A	0.0976
98	G	A	-0.8187
99	G	A	-0.0849
100	L	A	0.8184
101	P	A	-0.2431
102	G	A	-1.0648
103	T	A	-1.2437
104	E	A	-2.4901
105	N	A	-2.5997
106	S	A	-1.7097
107	D	A	-1.9146
108	Q	A	-1.8744
109	A	A	-1.2589
110	R	A	-2.4195
111	D	A	-2.0781
112	G	A	-1.1105
113	T	A	-0.3992
114	L	A	0.1945
115	P	A	0.0920
116	Y	A	0.8654
117	T	A	-0.3572
118	K	A	-1.6898
119	D	A	-1.7281
120	R	A	0.0000
121	F	A	1.8962
122	Y	A	1.4037
123	L	A	0.8406
124	Q	A	-0.3203
125	P	A	-0.6499
126	L	A	-0.6070
127	P	A	-0.7184
128	P	A	-1.1784
129	T	A	-1.2517
130	E	A	-2.2178
131	A	A	0.0000
132	A	A	0.0000
133	Q	A	-1.7877
134	R	A	-0.9023
135	A	A	0.0000
136	K	A	-0.6557
137	V	A	0.9251
138	S	A	0.0000
139	A	A	0.0000
140	S	A	-0.0796
141	E	A	-0.5276
142	I	A	0.0000
143	L	A	-0.4793
144	N	A	-1.7779
145	V	A	0.0000
146	K	A	-2.9060
147	Q	A	-2.7529
148	F	A	-2.4133
149	I	A	0.0000
150	D	A	-3.8855
151	R	A	-3.7514
152	K	A	-3.6427
153	A	A	-2.0531
154	W	A	0.0000
155	P	A	-1.4054
156	S	A	-1.3145
157	L	A	0.0000
158	Q	A	-1.8397
159	N	A	-1.7936
160	D	A	-1.3280
161	L	A	0.0000
162	R	A	-1.6703
163	L	A	-0.1256
164	R	A	-0.4550
165	A	A	0.0000
166	S	A	-0.2593
167	Y	A	0.4766
168	L	A	0.0000
169	R	A	-1.1855
170	Y	A	-0.3909
171	D	A	0.0000
172	L	A	0.0000
173	K	A	-2.1265
174	T	A	-1.0539
175	V	A	0.0000
176	I	A	0.0000
177	S	A	-1.3732
178	A	A	-1.0953
179	K	A	-2.1137
180	P	A	-2.6764
181	K	A	-3.8737
182	D	A	-4.1108
183	E	A	-4.1035
184	K	A	-4.3638
185	K	A	-4.3503
186	S	A	-3.3028
187	L	A	0.0000
188	Q	A	-3.5213
189	E	A	-3.2701
190	L	A	-2.1288
191	T	A	-2.1074
192	S	A	-1.9128
193	K	A	-2.3017
194	L	A	0.0000
195	F	A	0.0000
196	S	A	-1.5049
197	S	A	0.0000
198	I	A	0.0000
199	D	A	-2.6372
200	N	A	-2.3801
201	L	A	0.0000
202	D	A	-2.3403
203	H	A	-2.2972
204	A	A	0.0000
205	A	A	0.0000
206	K	A	-2.0079
207	I	A	-0.3478
208	K	A	-2.1025
209	S	A	-1.5112
210	P	A	-1.9109
211	T	A	-1.6545
212	E	A	-2.1482
213	A	A	0.0000
214	E	A	-3.3616
215	K	A	-3.0454
216	Y	A	-2.1297
217	Y	A	-1.5675
218	G	A	-1.5985
219	Q	A	-1.5318
220	T	A	0.0000
221	V	A	-0.2495
222	S	A	-0.8038
223	N	A	0.0000
224	I	A	0.0000
225	N	A	-1.6165
226	E	A	-1.3807
227	V	A	0.0000
228	L	A	-0.9675
229	A	A	-1.1720
230	K	A	-1.9740
231	L	A	-1.2197
232	G	A	-0.9803