Project name: e9257a480cb002c

Chain sequence(s)	A: MASTACFLHHHAAISSPAAGRGSAAQRYQAVSIKPNQIVCKAQKQDDNEANVLNSGVSRRLALTVLIGAAAVGSKVSPADAAYGEAANVFGKPKKNTEFMPYNGDGFKLLVPSKWNPSKEKEFPGQVLRYEDNFDATSNLSVLVQPTDKKSITDFGSPEDFLSQVDYLLGKQAYFGKTDSEGGFDSGVVASANVLESSTPVVDGKQYYSITVLTRTADGDEGGKHQVIAATVKDGKLYICKAQAGDKRWFKGAKKFVESATSSFSVA
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: -4.3372
• Maximal score value: 3.4491
• Average score: -0.6502
• Total score value: -173.6129

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	1.0191
2	A	A	0.4548
3	S	A	0.4150
4	T	A	0.4978
5	A	A	0.8210
6	C	A	1.7669
7	F	A	2.5156
8	L	A	1.6503
9	H	A	-0.4379
10	H	A	-1.1981
11	H	A	-1.3763
12	A	A	0.0255
13	A	A	1.0689
14	I	A	1.9004
15	S	A	0.6714
16	S	A	-0.0076
17	P	A	-0.3709
18	A	A	-0.3828
19	A	A	-0.6126
20	G	A	-1.4046
21	R	A	-2.3238
22	G	A	-1.5492
23	S	A	-0.9411
24	A	A	-0.6399
25	A	A	-0.8636
26	Q	A	-1.8610
27	R	A	-2.0569
28	Y	A	-0.2508
29	Q	A	-0.6933
30	A	A	0.6097
31	V	A	1.8827
32	S	A	1.0189
33	I	A	1.3299
34	K	A	-1.1860
35	P	A	-1.3040
36	N	A	-1.4228
37	Q	A	-0.5628
38	I	A	1.9246
39	V	A	2.2037
40	C	A	1.0357
41	K	A	-1.1391
42	A	A	-1.5234
43	Q	A	-2.8510
44	K	A	-3.6877
45	Q	A	-3.8243
46	D	A	-4.3372
47	D	A	-4.2765
48	N	A	-3.7446
49	E	A	-3.1724
50	A	A	-1.4556
51	N	A	-0.6715
52	V	A	1.3491
53	L	A	1.4165
54	N	A	-0.2117
55	S	A	-0.1321
56	G	A	-0.2366
57	V	A	0.5648
58	S	A	-0.6464
59	R	A	-2.0457
60	R	A	-1.6435
61	L	A	0.5889
62	A	A	0.9615
63	L	A	2.3752
64	T	A	2.4606
65	V	A	3.4412
66	L	A	3.4491
67	I	A	3.0870
68	G	A	1.2287
69	A	A	0.8283
70	A	A	0.7062
71	A	A	0.7384
72	V	A	1.3127
73	G	A	0.0762
74	S	A	-0.1851
75	K	A	-0.9346
76	V	A	0.2891
77	S	A	-0.5021
78	P	A	-1.0518
79	A	A	-1.1920
80	D	A	-1.5263
81	A	A	-0.8007
82	A	A	-0.1493
83	Y	A	0.7332
84	G	A	-0.1397
85	E	A	-0.7436
86	A	A	-0.2564
87	A	A	0.0298
88	N	A	-0.3126
89	V	A	1.8645
90	F	A	1.9775
91	G	A	-0.2258
92	K	A	-2.0834
93	P	A	-2.3657
94	K	A	-3.3925
95	K	A	-3.6271
96	N	A	-2.7632
97	T	A	-2.1696
98	E	A	-1.7449
99	F	A	-0.3004
100	M	A	0.0995
101	P	A	-0.0247
102	Y	A	-0.3962
103	N	A	-1.9548
104	G	A	-1.7245
105	D	A	-2.1561
106	G	A	-1.7628
107	F	A	0.0000
108	K	A	-1.8455
109	L	A	0.0000
110	L	A	0.4487
111	V	A	0.0000
112	P	A	0.0000
113	S	A	-1.1133
114	K	A	-2.1226
115	W	A	0.0000
116	N	A	-1.7870
117	P	A	-1.4470
118	S	A	-2.1433
119	K	A	-3.1579
120	E	A	-3.8255
121	K	A	-3.6489
122	E	A	-3.2671
123	F	A	-1.4044
124	P	A	-0.7689
125	G	A	-0.4760
126	Q	A	0.0000
127	V	A	0.5276
128	L	A	0.0000
129	R	A	0.0000
130	Y	A	-1.2386
131	E	A	-1.3770
132	D	A	-1.0894
133	N	A	-1.2188
134	F	A	0.8180
135	D	A	0.1567
136	A	A	-0.1565
137	T	A	-0.2078
138	S	A	0.0000
139	N	A	0.0000
140	L	A	0.0000
141	S	A	0.0000
142	V	A	0.0000
143	L	A	0.0000
144	V	A	-0.1506
145	Q	A	-0.4556
146	P	A	-1.4480
147	T	A	-2.1591
148	D	A	-3.1246
149	K	A	-3.1948
150	K	A	-3.3040
151	S	A	-2.1598
152	I	A	0.0000
153	T	A	-1.1091
154	D	A	-2.0171
155	F	A	-1.4411
156	G	A	-1.2800
157	S	A	-1.1517
158	P	A	-1.2031
159	E	A	-1.5040
160	D	A	-2.0909
161	F	A	0.0000
162	L	A	0.0000
163	S	A	-0.8865
164	Q	A	-1.6817
165	V	A	0.0000
166	D	A	-0.9724
167	Y	A	-0.8357
168	L	A	0.0000
169	L	A	-0.4734
170	G	A	-1.4401
171	K	A	-1.7398
172	Q	A	-0.4287
173	A	A	0.3123
174	Y	A	1.4121
175	F	A	1.7119
176	G	A	0.0903
177	K	A	-1.6583
178	T	A	-1.7790
179	D	A	-2.8999
180	S	A	-1.8525
181	E	A	-1.8854
182	G	A	-1.4398
183	G	A	-1.3398
184	F	A	-1.4425
185	D	A	-2.0710
186	S	A	-2.1630
187	G	A	-1.2035
188	V	A	-0.3520
189	V	A	-0.6666
190	A	A	-0.8691
191	S	A	-0.0346
192	A	A	0.4366
193	N	A	0.1250
194	V	A	0.5442
195	L	A	0.7161
196	E	A	-1.0627
197	S	A	-0.7968
198	S	A	-0.4656
199	T	A	0.2133
200	P	A	0.5046
201	V	A	1.3231
202	V	A	0.4233
203	D	A	-1.3527
204	G	A	-0.7774
205	K	A	-0.4770
206	Q	A	-0.0044
207	Y	A	0.0000
208	Y	A	0.0000
209	S	A	-0.5255
210	I	A	0.0000
211	T	A	-0.2261
212	V	A	0.0000
213	L	A	0.0000
214	T	A	-0.8655
215	R	A	-1.8807
216	T	A	-1.5431
217	A	A	-1.5156
218	D	A	-2.5193
219	G	A	-2.2030
220	D	A	-2.3943
221	E	A	-2.1742
222	G	A	-2.0860
223	G	A	0.0000
224	K	A	-1.3364
225	H	A	0.0000
226	Q	A	0.0000
227	V	A	0.0000
228	I	A	0.0000
229	A	A	0.0000
230	A	A	0.0000
231	T	A	0.0000
232	V	A	0.0000
233	K	A	-2.0945
234	D	A	-2.9482
235	G	A	-2.7526
236	K	A	-2.3388
237	L	A	0.0000
238	Y	A	0.0000
239	I	A	0.0000
240	C	A	0.0000
241	K	A	0.0000
242	A	A	0.0000
243	Q	A	-0.4958
244	A	A	0.0000
245	G	A	0.0000
246	D	A	-1.7963
247	K	A	-2.0529
248	R	A	-1.7179
249	W	A	-1.0878
250	F	A	0.0849
251	K	A	-1.7468
252	G	A	-1.3060
253	A	A	-1.4000
254	K	A	-1.7594
255	K	A	-1.8150
256	F	A	-1.0140
257	V	A	0.0000
258	E	A	-1.4591
259	S	A	-0.7058
260	A	A	0.0000
261	T	A	0.0000
262	S	A	-0.2652
263	S	A	-0.2267
264	F	A	0.0000
265	S	A	0.0000
266	V	A	0.0000
267	A	A	-0.9269