Project name: c4cfd61d590da29

Chain sequence(s)	A: MSHHHHHHSGEEEMEEDLMKKITILWNRGDTKNFLEAMRRYVELVASNSEKLSKFMIWLAETTNRSHKYYMHPSMHSGKTMERMGEIFESALSKHPAQVIAAIRNVVTESYNVNNFSWIWTISEIFWYSDSPAAAEVIMQVFKEALEKHPDDKKLIKTVKRMVRRFKNTITPDMYQEMESIIESQNS
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                                          (00:05:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:34)

• Minimal score value: -4.4339
• Maximal score value: 0.9609
• Average score: -1.303
• Total score value: -243.6653

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	0.3394
2	S	A	-0.8858
3	H	A	-1.9986
4	H	A	-2.5412
5	H	A	-2.7943
6	H	A	-3.1156
7	H	A	-3.4052
8	H	A	-3.5340
9	S	A	-3.1467
10	G	A	-3.2664
11	E	A	-3.9649
12	E	A	-4.4339
13	E	A	-4.2236
14	M	A	-2.7997
15	E	A	-3.3356
16	E	A	-4.3677
17	D	A	-4.0823
18	L	A	-2.3658
19	M	A	-1.9536
20	K	A	-2.5483
21	K	A	-1.8467
22	I	A	0.0000
23	T	A	-0.5975
24	I	A	0.3084
25	L	A	0.0000
26	W	A	0.0000
27	N	A	-1.6614
28	R	A	-2.1639
29	G	A	-1.7087
30	D	A	-1.7063
31	T	A	-1.7713
32	K	A	-2.1883
33	N	A	-1.8034
34	F	A	0.0000
35	L	A	-1.6611
36	E	A	-1.8873
37	A	A	0.0000
38	M	A	0.0000
39	R	A	-2.5911
40	R	A	-2.4892
41	Y	A	0.0000
42	V	A	0.0000
43	E	A	-2.6441
44	L	A	-1.4613
45	V	A	0.0000
46	A	A	0.0000
47	S	A	-1.4695
48	N	A	-1.5139
49	S	A	-2.0028
50	E	A	-2.9487
51	K	A	-2.1907
52	L	A	0.0000
53	S	A	0.0000
54	K	A	-2.4119
55	F	A	0.0000
56	M	A	0.0000
57	I	A	-0.5174
58	W	A	-0.1932
59	L	A	0.0000
60	A	A	0.0000
61	E	A	-0.8224
62	T	A	-1.0974
63	T	A	0.0000
64	N	A	-1.4700
65	R	A	-2.0222
66	S	A	0.0000
67	H	A	-1.3241
68	K	A	-1.6102
69	Y	A	0.5164
70	Y	A	0.9609
71	M	A	0.3301
72	H	A	-0.5404
73	P	A	-0.2256
74	S	A	-0.9006
75	M	A	0.0000
76	H	A	-0.7880
77	S	A	-1.3241
78	G	A	-1.7411
79	K	A	-2.7255
80	T	A	0.0000
81	M	A	0.0000
82	E	A	-3.2680
83	R	A	-3.5964
84	M	A	0.0000
85	G	A	0.0000
86	E	A	-3.2314
87	I	A	0.0000
88	F	A	0.0000
89	E	A	-1.9034
90	S	A	-1.7399
91	A	A	0.0000
92	L	A	0.0000
93	S	A	-1.3053
94	K	A	-2.3813
95	H	A	-1.7114
96	P	A	-0.8949
97	A	A	-0.5072
98	Q	A	-1.1873
99	V	A	0.0000
100	I	A	-0.1077
101	A	A	-0.7831
102	A	A	0.0000
103	I	A	0.0000
104	R	A	-1.2861
105	N	A	-1.8415
106	V	A	0.0000
107	V	A	0.0000
108	T	A	-1.3088
109	E	A	-1.6528
110	S	A	0.0000
111	Y	A	-0.9689
112	N	A	-1.2618
113	V	A	-0.1518
114	N	A	-1.3483
115	N	A	-0.8105
116	F	A	0.0000
117	S	A	-0.2619
118	W	A	-0.1630
119	I	A	0.0000
120	W	A	0.0272
121	T	A	0.0000
122	I	A	0.0000
123	S	A	0.0000
124	E	A	-0.1316
125	I	A	0.0000
126	F	A	0.0000
127	W	A	-0.4885
128	Y	A	-1.4449
129	S	A	-2.0309
130	D	A	-2.2392
131	S	A	-1.4122
132	P	A	-1.1856
133	A	A	-0.9063
134	A	A	0.0000
135	A	A	0.0000
136	E	A	-1.6538
137	V	A	-0.8174
138	I	A	0.0000
139	M	A	0.0000
140	Q	A	-1.0703
141	V	A	0.0000
142	F	A	0.0000
143	K	A	-1.6386
144	E	A	-1.8298
145	A	A	0.0000
146	L	A	0.0000
147	E	A	-3.1564
148	K	A	-3.1332
149	H	A	-2.5975
150	P	A	-2.6505
151	D	A	-3.2916
152	D	A	-2.8799
153	K	A	-3.2962
154	K	A	-2.7152
155	L	A	0.0000
156	I	A	0.0000
157	K	A	-2.4511
158	T	A	-1.6424
159	V	A	0.0000
160	K	A	-2.5809
161	R	A	-2.9911
162	M	A	0.0000
163	V	A	0.0000
164	R	A	-3.3409
165	R	A	-2.3806
166	F	A	0.0000
167	K	A	-2.7864
168	N	A	-2.4153
169	T	A	-1.8814
170	I	A	0.0000
171	T	A	-1.7075
172	P	A	-2.0105
173	D	A	-2.7495
174	M	A	-2.2557
175	Y	A	-2.5002
176	Q	A	-2.9352
177	E	A	-3.1540
178	M	A	0.0000
179	E	A	-2.4359
180	S	A	-1.8700
181	I	A	-1.7452
182	I	A	0.0000
183	E	A	-2.5244
184	S	A	-1.4132
185	Q	A	-2.1506
186	N	A	-2.0467
187	S	A	-1.1522