Project name: 73111a53f02161a

Chain sequence(s)	A: MGTPSYDIKNKGDDMQEEPKVKLHHEKGGDEKEKIIEKETPSQDINNKDTISSYVLRDDTQEIPKMEHEEGGYVKEKIVEKETISQYIIKIEGDDDAQEKLKVEYEEEEYEKEKIVEKETPSQDINNKGDDAQEKPKVEHEEGDDKETPSQDIIKMEGEGALEITKVVCEKIIVREDLAVQSKPPSKRDPPKMQTDNNKL
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: -4.4959
• Maximal score value: 2.5186
• Average score: -1.6371
• Total score value: -327.4113

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	0.7802
2	G	A	-0.0817
3	T	A	-0.0636
4	P	A	-0.2406
5	S	A	0.0521
6	Y	A	0.6225
7	D	A	-0.9331
8	I	A	0.0445
9	K	A	-2.2574
10	N	A	-2.9043
11	K	A	-3.4911
12	G	A	-3.0964
13	D	A	-3.3903
14	D	A	-2.9518
15	M	A	-1.3244
16	Q	A	-2.6553
17	E	A	-3.5655
18	E	A	-3.4147
19	P	A	-2.3531
20	K	A	-2.0556
21	V	A	0.0927
22	K	A	-1.0191
23	L	A	0.0618
24	H	A	-1.6203
25	H	A	-2.6301
26	E	A	-3.2848
27	K	A	-3.4569
28	G	A	-2.8817
29	G	A	-2.5279
30	D	A	-3.9590
31	E	A	-4.1155
32	K	A	-4.1975
33	E	A	-3.2060
34	K	A	-1.6845
35	I	A	0.5527
36	I	A	0.5693
37	E	A	-1.8647
38	K	A	-2.6161
39	E	A	-3.0878
40	T	A	-2.0720
41	P	A	-1.6102
42	S	A	-1.4212
43	Q	A	-1.8286
44	D	A	-1.9915
45	I	A	-0.4491
46	N	A	-2.1781
47	N	A	-2.8868
48	K	A	-3.3159
49	D	A	-2.7853
50	T	A	-0.5891
51	I	A	1.6047
52	S	A	1.2696
53	S	A	1.4419
54	Y	A	2.3259
55	V	A	2.3349
56	L	A	0.9349
57	R	A	-1.5956
58	D	A	-3.1892
59	D	A	-3.4530
60	T	A	-2.1155
61	Q	A	-2.2585
62	E	A	-1.9590
63	I	A	0.3891
64	P	A	-0.6952
65	K	A	-1.6887
66	M	A	-0.9600
67	E	A	-3.0333
68	H	A	-3.2526
69	E	A	-3.7496
70	E	A	-3.3512
71	G	A	-1.6401
72	G	A	-0.6060
73	Y	A	1.0616
74	V	A	0.1721
75	K	A	-2.7346
76	E	A	-2.7550
77	K	A	-1.7744
78	I	A	1.1463
79	V	A	0.2943
80	E	A	-2.7390
81	K	A	-3.8920
82	E	A	-3.1882
83	T	A	-0.9539
84	I	A	0.8781
85	S	A	-0.2480
86	Q	A	-0.4922
87	Y	A	1.4771
88	I	A	2.4098
89	I	A	2.5186
90	K	A	0.3202
91	I	A	0.6070
92	E	A	-1.8315
93	G	A	-3.2126
94	D	A	-4.0112
95	D	A	-4.2077
96	D	A	-3.7077
97	A	A	-3.2196
98	Q	A	-3.2238
99	E	A	-3.7833
100	K	A	-2.5854
101	L	A	-1.0470
102	K	A	-1.9485
103	V	A	-0.1810
104	E	A	-1.0783
105	Y	A	-0.3415
106	E	A	-2.5181
107	E	A	-3.3633
108	E	A	-3.6027
109	E	A	-3.2264
110	Y	A	-1.6283
111	E	A	-3.6340
112	K	A	-4.1364
113	E	A	-3.7556
114	K	A	-2.4003
115	I	A	0.6848
116	V	A	0.7601
117	E	A	-2.1733
118	K	A	-3.4713
119	E	A	-3.2646
120	T	A	-2.1551
121	P	A	-1.6446
122	S	A	-1.5011
123	Q	A	-1.8057
124	D	A	-2.1160
125	I	A	-0.3865
126	N	A	-2.0939
127	N	A	-2.9137
128	K	A	-3.1437
129	G	A	-3.0740
130	D	A	-3.5498
131	D	A	-3.4778
132	A	A	-2.5775
133	Q	A	-3.2106
134	E	A	-3.7954
135	K	A	-3.2827
136	P	A	-2.2688
137	K	A	-2.3496
138	V	A	-0.7879
139	E	A	-2.7548
140	H	A	-3.1078
141	E	A	-3.8551
142	E	A	-4.0974
143	G	A	-3.6981
144	D	A	-4.2456
145	D	A	-4.4959
146	K	A	-4.1110
147	E	A	-3.7022
148	T	A	-2.2360
149	P	A	-1.8258
150	S	A	-1.5341
151	Q	A	-1.2691
152	D	A	-1.1309
153	I	A	1.3112
154	I	A	1.5151
155	K	A	-0.4399
156	M	A	-0.1263
157	E	A	-2.2354
158	G	A	-2.0450
159	E	A	-2.3579
160	G	A	-1.2289
161	A	A	0.2899
162	L	A	1.0593
163	E	A	0.2651
164	I	A	1.2933
165	T	A	0.6030
166	K	A	0.1578
167	V	A	2.0041
168	V	A	1.9510
169	C	A	-0.0086
170	E	A	-2.0432
171	K	A	-1.2180
172	I	A	1.8280
173	I	A	2.4390
174	V	A	1.3518
175	R	A	-1.8571
176	E	A	-3.0353
177	D	A	-2.0875
178	L	A	0.4665
179	A	A	0.5142
180	V	A	1.1502
181	Q	A	-0.7084
182	S	A	-1.1616
183	K	A	-2.1136
184	P	A	-1.7241
185	P	A	-1.6690
186	S	A	-2.2055
187	K	A	-3.3079
188	R	A	-3.7313
189	D	A	-3.5973
190	P	A	-2.2460
191	P	A	-1.7719
192	K	A	-1.9781
193	M	A	-0.7155
194	Q	A	-1.9013
195	T	A	-1.9893
196	D	A	-3.2682
197	N	A	-3.2538
198	N	A	-2.8441
199	K	A	-2.1941
200	L	A	0.1815