Project name: 440c6b5164d82ed

Chain sequence(s)	A: MEVTSQSTLPPGFRFHPTDEELIVYYLRNQTMSKPCPVSIIPEVDIYKFDPWQLPEKTEFGENEWYFFSPRERKYPNGVRPNRAAVSGYWKATGTDKAIHSGSSNVGVKKALVFYKGRPPKGIKTDWIMHEYRLHDSRKASTKRNGSMRLDEWVLCRIYKKRGASKLLNEQEGFMDEVLMEDETKVVVNEAERRTEEEIMMMTSMKLPRTCSLAHLLEMDYMGPVSHIDNFSQFDHLHQPDSESSWFGDLQFNQDEILNHHRQAMFKF
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: -3.9887
• Maximal score value: 2.8886
• Average score: -0.8602
• Total score value: -230.5238

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	0.6421
2	E	A	-0.4961
3	V	A	0.8926
4	T	A	-0.2980
5	S	A	-0.6046
6	Q	A	-1.1068
7	S	A	-0.8476
8	T	A	-0.3709
9	L	A	-0.0048
10	P	A	-0.4026
11	P	A	-0.3694
12	G	A	0.0184
13	F	A	0.0439
14	R	A	-0.5617
15	F	A	-0.1878
16	H	A	-0.4721
17	P	A	0.0000
18	T	A	-0.6397
19	D	A	-0.9988
20	E	A	-1.0191
21	E	A	0.0000
22	L	A	0.0000
23	I	A	0.0000
24	V	A	-0.0826
25	Y	A	-0.0657
26	Y	A	0.0000
27	L	A	0.0000
28	R	A	-0.8130
29	N	A	-0.9668
30	Q	A	-1.0627
31	T	A	-0.7499
32	M	A	-0.4239
33	S	A	-0.8867
34	K	A	-1.6912
35	P	A	-0.8854
36	C	A	-0.4051
37	P	A	0.3393
38	V	A	0.5749
39	S	A	0.1079
40	I	A	0.0698
41	I	A	0.0000
42	P	A	-1.1513
43	E	A	-1.9166
44	V	A	-1.2339
45	D	A	-1.2469
46	I	A	0.0000
47	Y	A	0.0000
48	K	A	-1.1702
49	F	A	-0.0544
50	D	A	0.0000
51	P	A	0.0000
52	W	A	-0.1429
53	Q	A	-1.0422
54	L	A	0.0000
55	P	A	-1.8430
56	E	A	-2.5523
57	K	A	-2.1741
58	T	A	-1.6955
59	E	A	-2.0450
60	F	A	-0.7822
61	G	A	-1.7860
62	E	A	-2.7566
63	N	A	-2.9409
64	E	A	-1.8029
65	W	A	-1.2443
66	Y	A	0.0000
67	F	A	0.0000
68	F	A	0.0000
69	S	A	0.0000
70	P	A	-1.4071
71	R	A	-2.0522
72	E	A	-2.3027
73	R	A	-1.8042
74	K	A	-1.5432
75	Y	A	0.0396
76	P	A	-0.7799
77	N	A	-1.0553
78	G	A	-0.3887
79	V	A	0.2459
80	R	A	-1.5940
81	P	A	-1.5987
82	N	A	-1.4419
83	R	A	-1.5106
84	A	A	-0.5547
85	A	A	0.0106
86	V	A	1.2373
87	S	A	-0.0842
88	G	A	-0.7214
89	Y	A	-0.7903
90	W	A	0.0000
91	K	A	-1.7378
92	A	A	-0.9797
93	T	A	-0.7682
94	G	A	-0.9147
95	T	A	-1.1019
96	D	A	-1.6779
97	K	A	-2.2587
98	A	A	-1.4207
99	I	A	0.0000
100	H	A	-1.6606
101	S	A	-1.0449
102	G	A	-1.0220
103	S	A	-0.8273
104	S	A	-0.9640
105	N	A	-1.2905
106	V	A	-0.9890
107	G	A	0.0000
108	V	A	-1.0584
109	K	A	-1.1114
110	K	A	-1.0978
111	A	A	-0.9168
112	L	A	0.0000
113	V	A	0.0000
114	F	A	0.0000
115	Y	A	-1.5880
116	K	A	-1.6057
117	G	A	-1.7450
118	R	A	-2.6243
119	P	A	-2.0043
120	P	A	-1.4540
121	K	A	-2.4090
122	G	A	-1.6081
123	I	A	-0.0255
124	K	A	-1.6554
125	T	A	-1.5905
126	D	A	-2.9619
127	W	A	0.0000
128	I	A	-1.0917
129	M	A	0.0000
130	H	A	-0.3186
131	E	A	0.0000
132	Y	A	0.0000
133	R	A	-0.8325
134	L	A	-0.8959
135	H	A	-2.1203
136	D	A	-3.2454
137	S	A	-2.4877
138	R	A	-3.3758
139	K	A	-3.4724
140	A	A	-1.9278
141	S	A	-1.7581
142	T	A	-2.3185
143	K	A	-3.5231
144	R	A	-3.6568
145	N	A	-2.8787
146	G	A	-2.1972
147	S	A	-2.2064
148	M	A	-1.6283
149	R	A	-2.9142
150	L	A	-1.6876
151	D	A	-2.1769
152	E	A	-1.8571
153	W	A	-1.2360
154	V	A	0.0000
155	L	A	0.0000
156	C	A	0.0000
157	R	A	-0.2950
158	I	A	0.0000
159	Y	A	-2.0093
160	K	A	-3.4297
161	K	A	-3.9636
162	R	A	-3.7409
163	G	A	-2.3625
164	A	A	-0.7637
165	S	A	-0.7203
166	K	A	-1.7152
167	L	A	0.2122
168	L	A	0.0632
169	N	A	-2.3883
170	E	A	-2.9477
171	Q	A	-2.4897
172	E	A	-2.4731
173	G	A	-1.3310
174	F	A	0.8757
175	M	A	0.5159
176	D	A	-1.4103
177	E	A	-1.2644
178	V	A	1.5473
179	L	A	2.0828
180	M	A	0.9569
181	E	A	-2.2561
182	D	A	-3.3785
183	E	A	-3.4364
184	T	A	-1.8786
185	K	A	-0.8090
186	V	A	2.1458
187	V	A	2.8886
188	V	A	1.9760
189	N	A	-0.8914
190	E	A	-2.4008
191	A	A	-2.4134
192	E	A	-3.5113
193	R	A	-3.9032
194	R	A	-3.9887
195	T	A	-2.9281
196	E	A	-3.1147
197	E	A	-2.7509
198	E	A	-1.6080
199	I	A	1.2316
200	M	A	1.4103
201	M	A	1.7843
202	M	A	2.1838
203	T	A	1.2513
204	S	A	0.6138
205	M	A	0.7043
206	K	A	-0.8108
207	L	A	0.3997
208	P	A	-0.6518
209	R	A	-1.6731
210	T	A	-0.3523
211	C	A	0.4985
212	S	A	0.6400
213	L	A	2.0703
214	A	A	0.9642
215	H	A	0.5033
216	L	A	1.8171
217	L	A	1.4072
218	E	A	-0.7202
219	M	A	0.4830
220	D	A	-0.3616
221	Y	A	0.9542
222	M	A	1.1975
223	G	A	0.4534
224	P	A	0.6681
225	V	A	1.4356
226	S	A	0.4743
227	H	A	-0.0472
228	I	A	0.4907
229	D	A	-1.2565
230	N	A	-0.8804
231	F	A	0.4976
232	S	A	0.1593
233	Q	A	-0.4690
234	F	A	0.1540
235	D	A	-1.1478
236	H	A	-0.7918
237	L	A	-0.0771
238	H	A	-1.0896
239	Q	A	-1.9100
240	P	A	-2.0731
241	D	A	-2.6358
242	S	A	-2.0918
243	E	A	-2.3159
244	S	A	-1.0334
245	S	A	0.2838
246	W	A	1.4681
247	F	A	2.0020
248	G	A	0.1446
249	D	A	-0.7799
250	L	A	0.6056
251	Q	A	-0.5970
252	F	A	0.2734
253	N	A	-1.7141
254	Q	A	-2.2638
255	D	A	-2.8838
256	E	A	-2.6377
257	I	A	-0.7213
258	L	A	-0.9641
259	N	A	-2.5298
260	H	A	-1.9098
261	H	A	-1.3846
262	R	A	-2.3334
263	Q	A	-2.0452
264	A	A	-1.1507
265	M	A	-0.5023
266	F	A	0.5373
267	K	A	-0.2876
268	F	A	1.4397