Project name: 50be21b1e61f408

Chain sequence(s)	A: ITILGTGGTIASRIDYETGAVYPAFTAEELAKAVPEIFEIANVKPKLLFNIFSEDMKPSHWVKIAHEVAKELNSGAYGVVVAHGTDTMGYTSAALSFMLRDLNKPVILVGAQRSSDRPSSDAAMNLICSVRMATSEVAEVMVVMHGETGDTYCLAHRGTKVRKMHTSRRDAFRSINDIPIAKIWSDGRIEFLRD
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:29)

• Minimal score value: -3.2604
• Maximal score value: 0.8772
• Average score: -0.8266
• Total score value: -160.352

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	I	A	-0.2008
2	T	A	0.0000
3	I	A	0.0000
4	L	A	0.0000
5	G	A	0.0000
6	T	A	0.0000
7	G	A	0.4417
8	G	A	0.0000
9	T	A	-0.3713
10	I	A	0.0000
11	A	A	0.0000
12	S	A	-1.3852
13	R	A	-2.1412
14	I	A	-1.2409
15	D	A	-1.6279
16	Y	A	-0.5843
17	E	A	-1.7469
18	T	A	-1.0114
19	G	A	-0.6019
20	A	A	-0.2411
21	V	A	0.0356
22	Y	A	0.2746
23	P	A	-0.1456
24	A	A	-0.2970
25	F	A	-0.2686
26	T	A	-1.3091
27	A	A	-1.9473
28	E	A	-2.5126
29	E	A	-1.9319
30	L	A	0.0000
31	A	A	-1.7284
32	K	A	-2.4948
33	A	A	-1.6597
34	V	A	0.0000
35	P	A	-1.5857
36	E	A	-2.2489
37	I	A	0.0000
38	F	A	-0.0472
39	E	A	-1.6097
40	I	A	-0.9306
41	A	A	-0.6396
42	N	A	-1.0572
43	V	A	-1.0041
44	K	A	-2.1030
45	P	A	0.0000
46	K	A	-1.3695
47	L	A	0.2306
48	L	A	0.2164
49	F	A	0.6001
50	N	A	-0.0246
51	I	A	-0.0533
52	F	A	0.6170
53	S	A	0.0000
54	E	A	-2.2949
55	D	A	-2.3628
56	M	A	-1.5326
57	K	A	-2.1131
58	P	A	-0.8888
59	S	A	-0.9238
60	H	A	-1.2205
61	W	A	0.0000
62	V	A	-0.3709
63	K	A	-1.4435
64	I	A	0.0000
65	A	A	0.0000
66	H	A	-1.8199
67	E	A	-1.6962
68	V	A	0.0000
69	A	A	-1.6964
70	K	A	-2.8222
71	E	A	-2.0176
72	L	A	0.0000
73	N	A	-2.2909
74	S	A	-1.5401
75	G	A	-1.1029
76	A	A	0.0000
77	Y	A	0.2044
78	G	A	0.0000
79	V	A	0.0000
80	V	A	0.0000
81	V	A	0.0000
82	A	A	0.0000
83	H	A	0.0000
84	G	A	-0.4094
85	T	A	-1.0237
86	D	A	-1.4682
87	T	A	-1.0006
88	M	A	0.0000
89	G	A	-0.8834
90	Y	A	0.4728
91	T	A	0.0000
92	S	A	0.0000
93	A	A	0.4325
94	A	A	0.8772
95	L	A	0.0000
96	S	A	0.0000
97	F	A	0.1968
98	M	A	0.0664
99	L	A	0.0000
100	R	A	-2.5367
101	D	A	-2.4805
102	L	A	-1.6728
103	N	A	-2.2242
104	K	A	-1.4680
105	P	A	0.0000
106	V	A	0.0000
107	I	A	0.0000
108	L	A	0.0000
109	V	A	0.0000
110	G	A	0.0000
111	A	A	-0.9671
112	Q	A	-2.1719
113	R	A	-2.8876
114	S	A	-1.8285
115	S	A	-1.8542
116	D	A	-1.9322
117	R	A	-2.8156
118	P	A	-1.6026
119	S	A	-1.5853
120	S	A	-1.7841
121	D	A	0.0000
122	A	A	0.0000
123	A	A	-0.3721
124	M	A	-0.3547
125	N	A	0.0000
126	L	A	0.0000
127	I	A	0.0000
128	C	A	0.0000
129	S	A	0.0000
130	V	A	0.0000
131	R	A	-0.8421
132	M	A	0.0000
133	A	A	0.0000
134	T	A	-0.4090
135	S	A	0.0000
136	E	A	-1.8837
137	V	A	-0.6951
138	A	A	-1.1790
139	E	A	-1.6154
140	V	A	0.0000
141	M	A	0.0000
142	V	A	0.0000
143	V	A	0.0000
144	M	A	0.0000
145	H	A	0.0000
146	G	A	0.0000
147	E	A	-2.6446
148	T	A	-2.1579
149	G	A	-1.7522
150	D	A	-2.1878
151	T	A	-1.2606
152	Y	A	-0.5230
153	C	A	0.0000
154	L	A	-0.1972
155	A	A	0.0000
156	H	A	0.0000
157	R	A	-1.2503
158	G	A	0.0000
159	T	A	-0.7224
160	K	A	-1.8688
161	V	A	0.0000
162	R	A	-2.9345
163	K	A	-2.9186
164	M	A	-1.4376
165	H	A	-2.0101
166	T	A	-1.2559
167	S	A	-2.0695
168	R	A	-3.2604
169	R	A	-3.2017
170	D	A	-2.7291
171	A	A	0.0000
172	F	A	0.0000
173	R	A	-2.5561
174	S	A	0.0000
175	I	A	-1.6327
176	N	A	-1.5590
177	D	A	-1.3009
178	I	A	-0.2798
179	P	A	-0.2608
180	I	A	-0.1889
181	A	A	0.0000
182	K	A	-0.3881
183	I	A	0.0000
184	W	A	-0.9266
185	S	A	0.0000
186	D	A	-2.1469
187	G	A	-1.6986
188	R	A	-1.9839
189	I	A	-0.8925
190	E	A	-1.2325
191	F	A	0.2254
192	L	A	0.2708
193	R	A	-1.7727
194	D	A	-2.1060