Project name: 54c3b7f948e7547

Chain sequence(s)	J: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEKPTSAPSS
Selected Chain(s)	J
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 J 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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.8579
• Maximal score value: 1.822
• Average score: -0.7528
• Total score value: -130.2401

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	J	-0.7622
2	D	J	-1.4868
3	V	J	-0.4757
4	T	J	0.0066
5	I	J	1.2094
6	Q	J	-0.4177
7	H	J	-0.8830
8	P	J	0.0000
9	W	J	0.5456
10	F	J	1.7824
11	K	J	0.0000
12	R	J	0.0000
13	T	J	0.0000
14	L	J	0.9891
15	G	J	0.7183
16	P	J	1.0395
17	F	J	1.8220
18	Y	J	0.8021
19	P	J	0.0000
20	S	J	-0.3476
21	R	J	-1.0127
22	L	J	-0.2210
23	F	J	0.0444
24	D	J	-0.7029
25	Q	J	-1.3546
26	F	J	-0.4068
27	F	J	-0.2334
28	G	J	-1.2336
29	E	J	-1.9514
30	G	J	-0.6574
31	L	J	0.7631
32	F	J	0.5632
33	E	J	-1.0887
34	Y	J	0.1375
35	D	J	0.0628
36	L	J	1.7298
37	L	J	1.3109
38	P	J	0.4831
39	F	J	0.6377
40	L	J	1.6918
41	S	J	1.1291
42	S	J	0.7151
43	T	J	0.6562
44	I	J	1.0667
45	S	J	0.8049
46	P	J	0.5980
47	Y	J	0.8008
48	Y	J	0.5025
49	R	J	-1.1952
50	Q	J	-0.6516
51	S	J	-0.4131
52	L	J	0.6623
53	F	J	0.0000
54	R	J	-1.7998
55	T	J	-0.6359
56	V	J	-0.1029
57	L	J	0.0000
58	D	J	-2.4952
59	S	J	-1.4606
60	G	J	-1.2094
61	I	J	-0.2088
62	S	J	0.0000
63	E	J	-1.2384
64	V	J	0.0000
65	R	J	-1.0099
66	S	J	0.0000
67	D	J	-2.7607
68	R	J	-3.4524
69	D	J	-2.9621
70	K	J	-2.9417
71	F	J	0.0000
72	V	J	0.0000
73	I	J	0.0000
74	F	J	-0.1636
75	L	J	0.0000
76	D	J	-2.3047
77	V	J	-1.8470
78	K	J	-2.8972
79	H	J	-2.6391
80	F	J	0.0000
81	S	J	-1.8019
82	P	J	-1.7376
83	E	J	-2.1871
84	D	J	-2.2206
85	L	J	0.0000
86	T	J	-0.7879
87	V	J	0.0000
88	K	J	-1.9656
89	V	J	0.0000
90	Q	J	-1.8682
91	D	J	-1.0510
92	D	J	0.0000
93	F	J	-1.0161
94	V	J	0.0000
95	E	J	0.0000
96	I	J	0.0000
97	H	J	-1.6695
98	G	J	-2.2285
99	K	J	-3.3376
100	H	J	-2.7121
101	N	J	-2.4054
102	E	J	-2.1788
103	R	J	-3.2357
104	Q	J	-3.5791
105	D	J	-3.8579
106	D	J	-3.5954
107	H	J	-2.8437
108	G	J	-1.9850
109	Y	J	-0.3314
110	I	J	-0.7457
111	S	J	-1.9558
112	R	J	-3.6496
113	E	J	-3.5897
114	F	J	-1.8707
115	H	J	-1.9358
116	R	J	-1.3144
117	R	J	-2.1336
118	Y	J	-0.7093
119	R	J	0.0000
120	L	J	0.0000
121	P	J	0.0000
122	S	J	0.0412
123	N	J	-0.5505
124	V	J	0.0000
125	D	J	-0.9613
126	Q	J	0.0000
127	S	J	-1.5285
128	A	J	-0.7128
129	L	J	0.0000
130	S	J	-0.3936
131	C	J	0.0000
132	S	J	0.0000
133	L	J	0.0000
134	S	J	0.0000
135	A	J	-1.3700
136	D	J	-2.2492
137	G	J	0.0000
138	M	J	-1.2457
139	L	J	0.0000
140	T	J	0.0000
141	F	J	0.0000
142	C	J	-0.6758
143	G	J	-0.4719
144	P	J	-0.4840
145	K	J	-0.3677
146	I	J	0.9867
147	Q	J	-1.1895
148	T	J	-1.7021
149	G	J	-0.7088
150	L	J	0.2321
151	D	J	-0.8905
152	A	J	-0.1855
153	T	J	-0.1315
154	H	J	0.0000
155	A	J	-1.3525
156	E	J	-3.0662
157	R	J	-3.0053
158	A	J	-1.6340
159	I	J	0.0000
160	P	J	-0.3555
161	V	J	0.0660
162	S	J	-1.0344
163	R	J	-2.2394
164	E	J	-2.0517
165	E	J	-2.6279
166	K	J	-1.5625
167	P	J	-0.9651
168	T	J	-1.0165
169	S	J	-0.9147
170	A	J	-0.7990
171	P	J	-0.5631
172	S	J	-0.9585
173	S	J	-0.7503