Project name: fdf4d0d23eaee1e

Chain sequence(s)	A: MSHHHHHHSGSLEEKLEELLPYAIESINLTANGIKDHEKQEELDKKMGELMDLLIKDPSYVKKVYEEVKKNIDMSSPIARGQLFWMLADILEMDWEEAHKIFDEMWDNPDVEKVNKILDELVKEIEERSKNS
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]                                                (00:00:01)
[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 A 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                                          (00:06:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:00)

• Minimal score value: -4.6203
• Maximal score value: 0.5877
• Average score: -1.6802
• Total score value: -221.7921

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	0.5372
2	S	A	-0.6244
3	H	A	-1.7423
4	H	A	-2.3557
5	H	A	-2.7641
6	H	A	-2.8003
7	H	A	-2.5288
8	H	A	-2.1795
9	S	A	-1.6392
10	G	A	-2.0716
11	S	A	-1.7667
12	L	A	-1.8741
13	E	A	-3.0126
14	E	A	-3.8977
15	K	A	-3.3315
16	L	A	0.0000
17	E	A	-4.0305
18	E	A	-3.6077
19	L	A	0.0000
20	L	A	0.0000
21	P	A	-1.2283
22	Y	A	-1.2754
23	A	A	0.0000
24	I	A	-0.8875
25	E	A	-1.2649
26	S	A	0.0000
27	I	A	0.0000
28	N	A	-0.9084
29	L	A	-0.6699
30	T	A	-0.2807
31	A	A	-0.4837
32	N	A	-1.3084
33	G	A	-0.6262
34	I	A	-0.4288
35	K	A	-2.1713
36	D	A	-2.7818
37	H	A	-3.2559
38	E	A	-3.9397
39	K	A	-3.5597
40	Q	A	0.0000
41	E	A	-4.6203
42	E	A	-4.3880
43	L	A	0.0000
44	D	A	-3.8437
45	K	A	-3.9595
46	K	A	-3.3493
47	M	A	0.0000
48	G	A	-2.4278
49	E	A	-2.6734
50	L	A	0.0000
51	M	A	-1.4150
52	D	A	-2.0287
53	L	A	-1.2741
54	L	A	0.0000
55	I	A	0.0013
56	K	A	-1.3875
57	D	A	-1.0446
58	P	A	-1.2178
59	S	A	-1.4192
60	Y	A	-0.8193
61	V	A	0.0000
62	K	A	-2.2457
63	K	A	-2.3268
64	V	A	0.0000
65	Y	A	0.0000
66	E	A	-2.7600
67	E	A	-2.9068
68	V	A	0.0000
69	K	A	-2.3132
70	K	A	-3.0669
71	N	A	-2.6316
72	I	A	0.0000
73	D	A	-2.3242
74	M	A	0.0000
75	S	A	-1.1985
76	S	A	-0.6395
77	P	A	-0.1180
78	I	A	0.5877
79	A	A	0.0000
80	R	A	0.0000
81	G	A	0.0000
82	Q	A	0.1652
83	L	A	0.0000
84	F	A	0.0000
85	W	A	-0.0661
86	M	A	0.0000
87	L	A	0.0000
88	A	A	0.0000
89	D	A	-2.0656
90	I	A	-0.9808
91	L	A	0.0000
92	E	A	-2.4019
93	M	A	-2.3639
94	D	A	-2.8818
95	W	A	-1.5722
96	E	A	-3.0554
97	E	A	-3.1737
98	A	A	0.0000
99	H	A	-2.7042
100	K	A	-3.5362
101	I	A	-2.0656
102	F	A	-1.9695
103	D	A	-3.1863
104	E	A	-3.2470
105	M	A	0.0000
106	W	A	-0.9297
107	D	A	-2.2890
108	N	A	-2.4857
109	P	A	-1.7704
110	D	A	-2.6945
111	V	A	-2.2702
112	E	A	-3.1328
113	K	A	-3.2363
114	V	A	0.0000
115	N	A	-2.4695
116	K	A	-3.1856
117	I	A	-2.0954
118	L	A	0.0000
119	D	A	-3.0638
120	E	A	-3.4551
121	L	A	0.0000
122	V	A	0.0000
123	K	A	-3.9488
124	E	A	-3.6136
125	I	A	0.0000
126	E	A	-3.6458
127	E	A	-4.3441
128	R	A	-3.7582
129	S	A	-3.0892
130	K	A	-3.6333
131	N	A	-3.1153
132	S	A	-1.8903