Project name: 4c3393d13a64ba1

Chain sequence(s)	A: MVADKSKKSKIEEKGEEENLEQIDAELVLSIEKLQEIQDDLEKINEKASDEVLEVEQKYNVIRKPVYDKRNEVIQSIPGFWMTAFLSHPALGDLLTEEDQKIFKYLNSLEVEDAKDVKSGYSITFHFTSNPFFEDAKLTKTFTFLEEGTTKITATPIKWKEGKGLPNGVNHDDKKGNKRALPEESFFTWFTDAQHKEDAGDEIHDEVADIIKEDLWSNPLTYFNNDADEEDFDGDDDGDEEGEEDDDDEEEEDGEE
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: -5.2661
• Maximal score value: 1.8712
• Average score: -1.7609
• Total score value: -450.7849

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	1.7267
2	V	A	1.5359
3	A	A	-0.4603
4	D	A	-2.8727
5	K	A	-3.5439
6	S	A	-2.8822
7	K	A	-3.9409
8	K	A	-4.1152
9	S	A	-3.7259
10	K	A	-4.0644
11	I	A	-2.3745
12	E	A	-4.2968
13	E	A	-5.2661
14	K	A	-4.6185
15	G	A	-4.1241
16	E	A	-5.1501
17	E	A	-4.8345
18	E	A	-4.5141
19	N	A	-3.5513
20	L	A	-2.0798
21	E	A	-3.3968
22	Q	A	-2.5567
23	I	A	-0.0391
24	D	A	-1.2501
25	A	A	-0.3869
26	E	A	-0.3740
27	L	A	1.2992
28	V	A	1.8712
29	L	A	1.5014
30	S	A	0.6994
31	I	A	1.7675
32	E	A	-1.0707
33	K	A	-1.2800
34	L	A	0.1967
35	Q	A	-1.8598
36	E	A	-2.7112
37	I	A	-0.5150
38	Q	A	-2.0276
39	D	A	-2.7983
40	D	A	-2.2593
41	L	A	-1.4125
42	E	A	-3.5017
43	K	A	-3.3251
44	I	A	-1.2955
45	N	A	-3.2350
46	E	A	-4.0903
47	K	A	-3.5204
48	A	A	-2.4574
49	S	A	-2.3984
50	D	A	-3.0413
51	E	A	-2.6031
52	V	A	-0.2424
53	L	A	-1.3472
54	E	A	-2.1178
55	V	A	-0.1251
56	E	A	-0.7312
57	Q	A	-1.4100
58	K	A	-0.6019
59	Y	A	0.7193
60	N	A	-0.3003
61	V	A	1.5778
62	I	A	1.8022
63	R	A	0.2466
64	K	A	-0.4418
65	P	A	-0.2333
66	V	A	0.4455
67	Y	A	-0.6891
68	D	A	-2.0779
69	K	A	-2.1052
70	R	A	-1.2480
71	N	A	-1.7337
72	E	A	-2.1619
73	V	A	-0.1024
74	I	A	0.0000
75	Q	A	-1.4323
76	S	A	-0.4524
77	I	A	0.1463
78	P	A	-0.5803
79	G	A	-0.6947
80	F	A	0.0000
81	W	A	0.0000
82	M	A	-0.3876
83	T	A	-0.1922
84	A	A	0.0000
85	F	A	0.0000
86	L	A	0.1092
87	S	A	-0.7063
88	H	A	0.0000
89	P	A	-0.4992
90	A	A	-0.5942
91	L	A	0.0000
92	G	A	-0.6318
93	D	A	-1.5178
94	L	A	-1.0007
95	L	A	0.0000
96	T	A	-2.3974
97	E	A	-2.8778
98	E	A	-2.5569
99	D	A	0.0000
100	Q	A	-2.1031
101	K	A	-2.5293
102	I	A	0.0000
103	F	A	0.0000
104	K	A	-2.0755
105	Y	A	-0.9314
106	L	A	0.0000
107	N	A	-1.1623
108	S	A	0.0000
109	L	A	0.0000
110	E	A	-0.8048
111	V	A	-1.1223
112	E	A	-2.1180
113	D	A	-2.2165
114	A	A	-1.8210
115	K	A	-2.5846
116	D	A	-2.2662
117	V	A	-1.7713
118	K	A	-1.8184
119	S	A	-0.9772
120	G	A	0.0000
121	Y	A	0.0000
122	S	A	-0.7195
123	I	A	0.0000
124	T	A	-0.7814
125	F	A	0.0000
126	H	A	-1.1532
127	F	A	0.0000
128	T	A	-0.8726
129	S	A	-0.7461
130	N	A	0.0000
131	P	A	-1.0429
132	F	A	0.0000
133	F	A	0.0000
134	E	A	-2.7712
135	D	A	-2.1310
136	A	A	-1.3824
137	K	A	-2.0730
138	L	A	0.0000
139	T	A	-0.5163
140	K	A	0.0000
141	T	A	-0.3077
142	F	A	0.0000
143	T	A	-0.1881
144	F	A	-0.1461
145	L	A	-0.7116
146	E	A	-2.3953
147	E	A	-2.5577
148	G	A	-2.2355
149	T	A	-2.4805
150	T	A	-1.8388
151	K	A	-1.6811
152	I	A	-1.4236
153	T	A	-0.8767
154	A	A	-0.4892
155	T	A	-0.6010
156	P	A	-0.5747
157	I	A	-1.3006
158	K	A	-2.6479
159	W	A	-2.0289
160	K	A	-2.7360
161	E	A	-2.8390
162	G	A	-1.9555
163	K	A	-2.2326
164	G	A	-1.3947
165	L	A	-0.9267
166	P	A	-1.4048
167	N	A	-2.1705
168	G	A	-0.5903
169	V	A	0.2065
170	N	A	-2.1985
171	H	A	-2.9657
172	D	A	-3.9959
173	D	A	-4.7192
174	K	A	-4.2690
175	K	A	-3.8185
176	G	A	-3.2450
177	N	A	-3.4464
178	K	A	-3.0677
179	R	A	-2.7409
180	A	A	-1.0103
181	L	A	-0.0466
182	P	A	-1.4794
183	E	A	-2.6801
184	E	A	-2.6361
185	S	A	-1.9630
186	F	A	0.0000
187	F	A	0.0000
188	T	A	-1.0481
189	W	A	0.0000
190	F	A	0.0000
191	T	A	-1.3573
192	D	A	-2.5593
193	A	A	0.0000
194	Q	A	-2.9880
195	H	A	-3.7486
196	K	A	-4.7439
197	E	A	-4.4400
198	D	A	-3.7413
199	A	A	-2.9748
200	G	A	-2.9851
201	D	A	-3.7232
202	E	A	-3.1498
203	I	A	-2.5716
204	H	A	-2.2991
205	D	A	-1.7350
206	E	A	-2.1877
207	V	A	-0.8699
208	A	A	0.0000
209	D	A	-2.0263
210	I	A	-1.3687
211	I	A	0.0000
212	K	A	-2.1530
213	E	A	-2.6913
214	D	A	-2.2141
215	L	A	0.0000
216	W	A	0.0000
217	S	A	-1.4138
218	N	A	-1.2521
219	P	A	0.0000
220	L	A	0.6618
221	T	A	-0.3381
222	Y	A	-0.3736
223	F	A	-0.3194
224	N	A	-1.8283
225	N	A	-2.7523
226	D	A	-3.0189
227	A	A	-3.1203
228	D	A	-4.0057
229	E	A	-4.3500
230	E	A	-4.1538
231	D	A	-3.4090
232	F	A	-1.5194
233	D	A	-3.1271
234	G	A	-2.9927
235	D	A	-3.7945
236	D	A	-4.3153
237	D	A	-4.2488
238	G	A	-3.7728
239	D	A	-4.2755
240	E	A	-4.3172
241	E	A	-4.2625
242	G	A	-3.7835
243	E	A	-4.3864
244	E	A	-4.6357
245	D	A	-4.7760
246	D	A	-4.6775
247	D	A	-4.7776
248	D	A	-4.7850
249	E	A	-4.6286
250	E	A	-4.7755
251	E	A	-4.6736
252	E	A	-4.3337
253	D	A	-3.8032
254	G	A	-3.0624
255	E	A	-3.3524
256	E	A	-2.7886