Project name: a3b75a805a1aa7d

Chain sequence(s)	E: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEKPTSAPSS
Selected Chain(s)	E
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with E chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:04)

• Minimal score value: -3.9035
• Maximal score value: 2.0249
• Average score: -0.7376
• Total score value: -127.6039

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	M	E	0.9589
2	D	E	0.4963
3	V	E	1.5072
4	T	E	1.2132
5	I	E	1.2894
6	Q	E	0.0000
7	H	E	-0.5603
8	P	E	-0.8508
9	W	E	-0.7944
10	F	E	0.0000
11	K	E	-2.3703
12	R	E	-2.4620
13	T	E	0.0000
14	L	E	-0.5740
15	G	E	-0.6731
16	P	E	-0.0655
17	F	E	0.0000
18	Y	E	1.2174
19	P	E	0.5802
20	S	E	0.1098
21	R	E	-1.9484
22	L	E	-0.4139
23	F	E	0.0000
24	D	E	-1.6348
25	Q	E	-1.5980
26	F	E	-0.0118
27	F	E	0.2930
28	G	E	-1.0991
29	E	E	-1.6032
30	G	E	-0.8957
31	L	E	1.2582
32	F	E	1.7764
33	E	E	-0.1213
34	Y	E	0.7732
35	D	E	-0.2822
36	L	E	1.5881
37	L	E	2.0249
38	P	E	0.9892
39	F	E	0.7396
40	L	E	1.0577
41	S	E	0.5595
42	S	E	0.7719
43	T	E	1.1579
44	I	E	1.9432
45	S	E	0.8688
46	P	E	0.0000
47	Y	E	0.5478
48	Y	E	0.0000
49	R	E	-1.3799
50	Q	E	0.0000
51	S	E	-0.1920
52	L	E	1.5299
53	F	E	0.0000
54	R	E	0.0000
55	T	E	0.6961
56	V	E	1.6117
57	L	E	0.5132
58	D	E	-0.2326
59	S	E	0.1287
60	G	E	0.1748
61	I	E	1.2331
62	S	E	0.0000
63	E	E	-0.6326
64	V	E	0.0000
65	R	E	-1.2298
66	S	E	0.0000
67	D	E	-2.4157
68	R	E	-3.1472
69	D	E	-2.8459
70	K	E	-2.1215
71	F	E	0.0000
72	V	E	0.0000
73	I	E	0.0000
74	F	E	-0.7978
75	L	E	0.0000
76	D	E	-1.7295
77	V	E	0.0000
78	K	E	-2.4188
79	H	E	-2.2349
80	F	E	0.0000
81	S	E	-1.2540
82	P	E	0.0000
83	E	E	-2.3830
84	D	E	-2.1979
85	L	E	0.0000
86	T	E	-0.9337
87	V	E	0.0000
88	K	E	-2.0009
89	V	E	0.0000
90	Q	E	-2.7399
91	D	E	-2.2761
92	D	E	-1.4324
93	F	E	-1.3806
94	V	E	0.0000
95	E	E	0.0000
96	I	E	0.0000
97	H	E	-1.7534
98	G	E	0.0000
99	K	E	-3.9035
100	H	E	-3.4580
101	N	E	-3.3861
102	E	E	-3.2782
103	R	E	-3.4357
104	Q	E	-3.2643
105	D	E	-3.4800
106	D	E	-3.3787
107	H	E	-2.3185
108	G	E	-1.6448
109	Y	E	-0.9176
110	I	E	-0.8333
111	S	E	-2.6294
112	R	E	-3.7005
113	E	E	-3.8820
114	F	E	-2.0920
115	H	E	-2.1030
116	R	E	-1.8008
117	R	E	-2.2619
118	Y	E	0.0000
119	R	E	0.0000
120	L	E	0.0000
121	P	E	0.0000
122	S	E	0.0000
123	N	E	0.0000
124	V	E	0.0000
125	D	E	-0.6477
126	Q	E	0.0000
127	S	E	-1.0761
128	A	E	-0.4635
129	L	E	0.0000
130	S	E	-0.8048
131	C	E	0.0000
132	S	E	0.0000
133	L	E	-1.5986
134	S	E	-1.5391
135	A	E	-1.2259
136	D	E	-2.1482
137	G	E	-1.6794
138	M	E	0.0000
139	L	E	0.0000
140	T	E	0.0000
141	F	E	0.0000
142	C	E	0.0000
143	G	E	0.0000
144	P	E	-0.6196
145	K	E	0.0000
146	I	E	0.3450
147	Q	E	-1.0331
148	T	E	-1.4808
149	G	E	-0.7317
150	L	E	-0.5815
151	D	E	-0.7560
152	A	E	-0.8126
153	T	E	-0.4621
154	H	E	0.0000
155	A	E	-1.8272
156	E	E	-3.4340
157	R	E	-3.0829
158	A	E	-1.6845
159	I	E	0.0000
160	P	E	-0.6531
161	V	E	-0.8892
162	S	E	-1.6740
163	R	E	-3.1101
164	E	E	-2.8503
165	E	E	-3.3490
166	K	E	-2.6848
167	P	E	-1.4795
168	T	E	-0.8542
169	S	E	-1.1121
170	A	E	-0.4876
171	P	E	-0.4407
172	S	E	-0.4519
173	S	E	-0.3752