Project name: 5a7b919487daf22

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]                                                (00:00:00)
[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 E 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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -4.0792
• Maximal score value: 2.2224
• Average score: -0.7132
• Total score value: -123.3847

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	0.5637
2	D	E	0.2222
3	V	E	1.0704
4	T	E	0.9198
5	I	E	1.1471
6	Q	E	0.0000
7	H	E	-0.4341
8	P	E	-0.6176
9	W	E	-0.5092
10	F	E	0.0000
11	K	E	-2.2521
12	R	E	-2.4926
13	T	E	-0.8306
14	L	E	0.0000
15	G	E	-0.6968
16	P	E	-0.1150
17	F	E	0.0000
18	Y	E	1.3256
19	P	E	0.9573
20	S	E	0.4161
21	R	E	-1.5574
22	L	E	-0.0826
23	F	E	0.0000
24	D	E	-0.7602
25	Q	E	-1.3294
26	F	E	-0.0303
27	F	E	0.1844
28	G	E	-0.7223
29	E	E	-0.9115
30	G	E	-0.1541
31	L	E	1.7592
32	F	E	2.0704
33	E	E	0.0222
34	Y	E	0.8631
35	D	E	-0.2724
36	L	E	1.7979
37	L	E	2.2224
38	P	E	1.3282
39	F	E	1.8850
40	L	E	1.4336
41	S	E	0.5285
42	S	E	0.7111
43	T	E	1.0670
44	I	E	1.9223
45	S	E	0.0000
46	P	E	0.0000
47	Y	E	0.7377
48	Y	E	0.0000
49	R	E	-0.8365
50	Q	E	0.0000
51	S	E	0.0784
52	L	E	1.6632
53	F	E	0.0000
54	R	E	0.0000
55	T	E	0.6398
56	V	E	1.4485
57	L	E	0.1609
58	D	E	-1.0550
59	S	E	-0.4390
60	G	E	-0.2297
61	I	E	1.2826
62	S	E	0.0000
63	E	E	-0.3839
64	V	E	0.0000
65	R	E	-0.3236
66	S	E	0.0000
67	D	E	-2.0379
68	R	E	-3.0601
69	D	E	-2.9134
70	K	E	-1.9974
71	F	E	0.0000
72	V	E	0.0000
73	I	E	0.0000
74	F	E	0.0000
75	L	E	0.0000
76	D	E	-1.0499
77	V	E	0.0000
78	K	E	-2.1916
79	H	E	-2.4540
80	F	E	-2.1935
81	S	E	-1.1831
82	P	E	0.0000
83	E	E	-2.2478
84	D	E	-2.2129
85	L	E	0.0000
86	T	E	-1.0278
87	V	E	0.0000
88	K	E	-2.2377
89	V	E	0.0000
90	Q	E	-2.4654
91	D	E	-2.3429
92	D	E	-1.3127
93	F	E	-1.3922
94	V	E	0.0000
95	E	E	-1.9722
96	I	E	0.0000
97	H	E	-2.0304
98	G	E	0.0000
99	K	E	-4.0792
100	H	E	-3.6465
101	N	E	-3.7016
102	E	E	-3.7224
103	R	E	-3.8829
104	Q	E	-3.3550
105	D	E	-3.3517
106	D	E	-3.2516
107	H	E	-2.3082
108	G	E	-1.6794
109	Y	E	-1.0591
110	I	E	-1.2015
111	S	E	-2.9538
112	R	E	-3.7876
113	E	E	-3.8616
114	F	E	-1.9072
115	H	E	-2.1562
116	R	E	0.0000
117	R	E	-2.3385
118	Y	E	-0.8505
119	R	E	-0.6529
120	L	E	0.0000
121	P	E	0.0000
122	S	E	-0.1230
123	N	E	0.0000
124	V	E	0.0000
125	D	E	-0.9733
126	Q	E	0.0000
127	S	E	-1.1319
128	A	E	-0.5353
129	L	E	0.0000
130	S	E	-0.6808
131	C	E	0.0000
132	S	E	0.0000
133	L	E	-1.2484
134	S	E	-1.3104
135	A	E	-1.1381
136	D	E	-2.0661
137	G	E	-1.5145
138	M	E	-1.1224
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	-0.7642
145	K	E	0.0000
146	I	E	0.4466
147	Q	E	-0.9390
148	T	E	-1.0634
149	G	E	-0.5309
150	L	E	0.0938
151	D	E	-0.5109
152	A	E	-0.6446
153	T	E	-0.6124
154	H	E	0.0000
155	A	E	-1.7679
156	E	E	-3.1209
157	R	E	-2.6200
158	A	E	-1.5361
159	I	E	0.0000
160	P	E	-0.7154
161	V	E	-0.6508
162	S	E	-1.2160
163	R	E	-2.3562
164	E	E	-2.5034
165	E	E	-3.0682
166	K	E	-2.9703
167	P	E	-1.6073
168	T	E	-0.9390
169	S	E	-1.2053
170	A	E	-0.5877
171	P	E	-0.6472
172	S	E	-0.4505
173	S	E	-0.3757