Project name: 6cea2e3bd3b0e43

Chain sequence(s)	A: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEKPTSAPSS
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                                          (00:02:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:07)

• Minimal score value: -4.106
• Maximal score value: 2.1411
• Average score: -0.7309
• Total score value: -126.4482

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	A	0.9764
2	D	A	-0.2639
3	V	A	1.4674
4	T	A	0.9354
5	I	A	1.5344
6	Q	A	-0.3277
7	H	A	-0.1271
8	P	A	-0.0789
9	W	A	0.0530
10	F	A	-0.5807
11	K	A	-1.2317
12	R	A	-1.6992
13	T	A	-0.2525
14	L	A	0.2960
15	G	A	-0.0224
16	P	A	0.4700
17	F	A	1.9553
18	Y	A	1.0039
19	P	A	0.0192
20	S	A	-0.6002
21	R	A	-1.9669
22	L	A	-0.0991
23	F	A	0.4351
24	D	A	-0.6698
25	Q	A	0.0000
26	F	A	0.0000
27	F	A	0.6680
28	G	A	-0.2645
29	E	A	-1.4166
30	G	A	-0.6233
31	L	A	1.3418
32	F	A	1.4825
33	E	A	-0.5265
34	Y	A	0.7136
35	D	A	-0.1169
36	L	A	1.3263
37	L	A	1.3004
38	P	A	1.1400
39	F	A	2.1411
40	L	A	0.7727
41	S	A	0.6109
42	S	A	0.8996
43	T	A	1.1055
44	I	A	1.8787
45	S	A	1.1818
46	P	A	0.8194
47	Y	A	0.4290
48	Y	A	0.3305
49	R	A	-0.2251
50	Q	A	0.0000
51	S	A	0.0000
52	L	A	0.7587
53	F	A	1.1183
54	R	A	0.2138
55	T	A	0.3333
56	V	A	1.4115
57	L	A	0.3010
58	D	A	-1.1184
59	S	A	-0.7432
60	G	A	-0.3116
61	I	A	1.1678
62	S	A	-0.3798
63	E	A	-1.6286
64	V	A	0.0000
65	R	A	-1.8177
66	S	A	-2.1269
67	D	A	-3.0481
68	R	A	-3.1964
69	D	A	-1.9011
70	K	A	-1.6879
71	F	A	0.0000
72	V	A	0.0000
73	I	A	0.0000
74	F	A	-0.4126
75	L	A	0.0000
76	D	A	-2.2577
77	V	A	0.0000
78	K	A	-2.5203
79	H	A	-2.8026
80	F	A	0.0000
81	S	A	0.0000
82	P	A	0.0000
83	E	A	-2.0372
84	D	A	0.0000
85	L	A	0.0000
86	T	A	-0.8595
87	V	A	0.0000
88	K	A	-1.8778
89	V	A	0.0000
90	Q	A	-3.0781
91	D	A	-3.5457
92	D	A	-3.5438
93	F	A	-2.3911
94	V	A	0.0000
95	E	A	-2.6787
96	I	A	0.0000
97	H	A	-2.2035
98	G	A	0.0000
99	K	A	-3.4965
100	H	A	0.0000
101	N	A	-2.8815
102	E	A	-2.9669
103	R	A	-3.2032
104	Q	A	-3.5707
105	D	A	-3.9403
106	D	A	-3.5030
107	H	A	-2.1964
108	G	A	-0.6545
109	Y	A	0.5094
110	I	A	1.3808
111	S	A	-1.0989
112	R	A	-2.7325
113	E	A	-3.2717
114	F	A	-2.2694
115	H	A	-2.6155
116	R	A	-2.5004
117	R	A	-3.4542
118	Y	A	-1.9624
119	R	A	-2.3215
120	L	A	-0.9613
121	P	A	-0.5717
122	S	A	-0.7382
123	N	A	0.0000
124	V	A	0.0000
125	D	A	-0.8538
126	Q	A	0.0000
127	S	A	-0.5993
128	A	A	-0.3287
129	L	A	-0.3228
130	S	A	-0.3369
131	C	A	0.0000
132	S	A	-0.8235
133	L	A	-0.2949
134	S	A	0.0911
135	A	A	-0.2339
136	D	A	-1.5637
137	G	A	-1.2645
138	M	A	0.0000
139	L	A	0.0000
140	T	A	0.0183
141	F	A	0.0000
142	C	A	0.0000
143	G	A	0.0000
144	P	A	-0.8140
145	K	A	-1.2050
146	I	A	0.4120
147	Q	A	-0.7780
148	T	A	-0.4816
149	G	A	-0.2863
150	L	A	0.2657
151	D	A	-1.4239
152	A	A	-0.6174
153	T	A	-0.6713
154	H	A	-2.0836
155	A	A	-2.0738
156	E	A	-3.1161
157	R	A	-2.3434
158	A	A	-1.1895
159	I	A	-0.4576
160	P	A	-0.5837
161	V	A	-0.6405
162	S	A	-1.6435
163	R	A	-3.2131
164	E	A	-3.8535
165	E	A	-4.1060
166	K	A	-3.4517
167	P	A	-1.7682
168	T	A	-1.1062
169	S	A	-1.6440
170	A	A	-0.8608
171	P	A	-1.1124
172	S	A	-1.7198
173	S	A	-1.6789