Project name: a1cbcdfb6d97991

Chain sequence(s)	A: MDKDCEMKRTTLDSPLGKLELSGCEQGLHRIIFLGKGTSAADAVEVPAPAAVLGGPEPLIQATAWLNAYFHQPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGEVISESHLAALVGNPAATAAVNTALDGNPVPILIPCHRVVQGDSDVGPYLGGLAVKEWLLAHEGHRLGKPGLG
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -3.3085
• Maximal score value: 1.5192
• Average score: -0.7387
• Total score value: -134.4482

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	-0.6776
2	D	A	-2.5285
3	K	A	-3.3085
4	D	A	-3.1673
5	C	A	-2.7084
6	E	A	-2.8707
7	M	A	-1.9561
8	K	A	-2.3832
9	R	A	-2.4697
10	T	A	-1.0363
11	T	A	-1.0681
12	L	A	0.0000
13	D	A	-2.4210
14	S	A	0.0000
15	P	A	-0.8384
16	L	A	0.0000
17	G	A	-1.3955
18	K	A	-1.7593
19	L	A	0.0000
20	E	A	-0.9998
21	L	A	0.0000
22	S	A	-1.2906
23	G	A	0.0000
24	C	A	0.0000
25	E	A	-3.1976
26	Q	A	-2.6510
27	G	A	0.0000
28	L	A	0.0000
29	H	A	-0.8775
30	R	A	-0.8517
31	I	A	0.0000
32	I	A	0.5808
33	F	A	0.1156
34	L	A	-0.4416
35	G	A	-1.1626
36	K	A	-1.9312
37	G	A	-1.0540
38	T	A	-1.2265
39	S	A	-0.9033
40	A	A	-0.4376
41	A	A	-0.6159
42	D	A	-1.4758
43	A	A	-0.3723
44	V	A	0.4905
45	E	A	-1.1939
46	V	A	-0.4442
47	P	A	-0.5706
48	A	A	-0.6132
49	P	A	-0.4680
50	A	A	0.0660
51	A	A	0.7177
52	V	A	0.7073
53	L	A	1.5192
54	G	A	-0.1581
55	G	A	-1.1540
56	P	A	0.0000
57	E	A	-2.3743
58	P	A	0.0000
59	L	A	0.0000
60	I	A	0.0578
61	Q	A	-0.1621
62	A	A	0.0000
63	T	A	0.0000
64	A	A	0.2650
65	W	A	0.0000
66	L	A	0.0000
67	N	A	-0.7996
68	A	A	0.0000
69	Y	A	0.0000
70	F	A	0.0000
71	H	A	-1.4211
72	Q	A	-1.8918
73	P	A	-2.0241
74	E	A	-2.7310
75	A	A	-2.2652
76	I	A	0.0000
77	E	A	-2.7895
78	E	A	-2.5280
79	F	A	-0.6176
80	P	A	-0.1394
81	V	A	0.8289
82	P	A	0.0000
83	A	A	-0.4576
84	L	A	-0.2452
85	H	A	-1.0449
86	H	A	-0.8694
87	P	A	-0.8295
88	V	A	-0.9492
89	F	A	0.0000
90	Q	A	-2.0321
91	Q	A	-2.5601
92	E	A	-2.6573
93	S	A	-1.2755
94	F	A	-0.1755
95	T	A	-0.7338
96	R	A	-1.1882
97	Q	A	-0.7272
98	V	A	0.0000
99	L	A	0.0000
100	W	A	-0.2453
101	K	A	-0.4220
102	L	A	0.0000
103	L	A	-0.4235
104	K	A	-1.3052
105	V	A	-0.0946
106	V	A	0.0000
107	K	A	-1.4918
108	F	A	-0.9257
109	G	A	-0.8798
110	E	A	-1.1682
111	V	A	0.1037
112	I	A	0.0000
113	S	A	-1.0302
114	E	A	-0.8855
115	S	A	-1.0563
116	H	A	-1.0359
117	L	A	0.0000
118	A	A	0.0000
119	A	A	-0.6128
120	L	A	-0.0066
121	V	A	-0.2208
122	G	A	-0.7544
123	N	A	-1.0887
124	P	A	-0.8739
125	A	A	-0.5045
126	A	A	-0.4448
127	T	A	-0.7165
128	A	A	-0.2822
129	A	A	-0.4317
130	V	A	0.0000
131	N	A	-1.5796
132	T	A	-1.1920
133	A	A	0.0000
134	L	A	0.0000
135	D	A	-2.0678
136	G	A	-1.3297
137	N	A	0.0000
138	P	A	0.0000
139	V	A	0.0000
140	P	A	0.0000
141	I	A	0.0000
142	L	A	0.0000
143	I	A	0.0000
144	P	A	0.0000
145	C	A	0.0000
146	H	A	0.0000
147	R	A	0.0000
148	V	A	0.0000
149	V	A	-0.9849
150	Q	A	-2.1167
151	G	A	-2.1771
152	D	A	-2.5287
153	S	A	-1.9314
154	D	A	-2.0503
155	V	A	-0.9511
156	G	A	-0.8358
157	P	A	-0.4296
158	Y	A	0.0000
159	L	A	0.4952
160	G	A	0.2860
161	G	A	0.0227
162	L	A	0.6543
163	A	A	-0.1534
164	V	A	0.0000
165	K	A	0.0000
166	E	A	-0.6686
167	W	A	-0.3781
168	L	A	0.0000
169	L	A	0.0000
170	A	A	-0.9190
171	H	A	-0.6480
172	E	A	0.0000
173	G	A	-1.1674
174	H	A	-1.5029
175	R	A	-2.3231
176	L	A	-1.5843
177	G	A	-1.8517
178	K	A	-2.0322
179	P	A	-1.0982
180	G	A	-0.6086
181	L	A	0.7097
182	G	A	0.1113