Project name: 2f0fa3d3d8b16e3

Chain sequence(s)	A: MSHHHHHHSGMIKSMEEIKKEALPYLRRTLEIVKELAGEGYFEIEEKVDEDTGKKYLVPVINEEKMKPSDTKAWGLYDTALAASMAINAIENSDNEEEITHWLTSTLQQLFYVVIPLLIEKLALPQGGTVTYDWDHRVTVEMPSGERSRAMELAEWREELWKTRLSKFWELDMKWVKGEVSGEEVLDVAVPLFKELVDYIESNLNS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:59)

• Minimal score value: -3.5618
• Maximal score value: 1.0297
• Average score: -1.1545
• Total score value: -237.8304

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	0.5535
2	S	A	-0.6061
3	H	A	-1.7256
4	H	A	-2.3323
5	H	A	-2.7108
6	H	A	-2.7509
7	H	A	-2.5334
8	H	A	-2.0240
9	S	A	-0.8554
10	G	A	-0.2875
11	M	A	1.0297
12	I	A	0.8659
13	K	A	-0.9651
14	S	A	-1.3437
15	M	A	-2.0461
16	E	A	-3.2162
17	E	A	-3.1019
18	I	A	0.0000
19	K	A	-2.4925
20	K	A	-3.0302
21	E	A	-1.8892
22	A	A	0.0000
23	L	A	-1.1924
24	P	A	-1.1440
25	Y	A	-1.3906
26	L	A	0.0000
27	R	A	-2.4045
28	R	A	-2.1873
29	T	A	0.0000
30	L	A	0.0000
31	E	A	-3.0122
32	I	A	0.0000
33	V	A	0.0000
34	K	A	-2.5115
35	E	A	-2.8474
36	L	A	0.0000
37	A	A	-1.3877
38	G	A	-1.7290
39	E	A	-2.5636
40	G	A	-2.0994
41	Y	A	-1.7149
42	F	A	0.0000
43	E	A	-1.7487
44	I	A	-1.2385
45	E	A	-1.9674
46	E	A	-2.8203
47	K	A	-2.6357
48	V	A	-2.1952
49	D	A	-2.8289
50	E	A	-3.4531
51	D	A	-3.0994
52	T	A	-2.4050
53	G	A	-2.5871
54	K	A	-3.1566
55	K	A	-3.2579
56	Y	A	-1.9434
57	L	A	0.0000
58	V	A	-0.3706
59	P	A	0.0000
60	V	A	-0.0364
61	I	A	-0.7151
62	N	A	-2.3500
63	E	A	-3.3383
64	E	A	-3.5618
65	K	A	-3.0248
66	M	A	0.0000
67	K	A	-2.3923
68	P	A	-1.1656
69	S	A	-1.0170
70	D	A	-1.3226
71	T	A	-0.8784
72	K	A	-1.0525
73	A	A	0.0000
74	W	A	-0.4441
75	G	A	-0.5154
76	L	A	0.0000
77	Y	A	-0.3292
78	D	A	-1.0678
79	T	A	0.0000
80	A	A	0.0000
81	L	A	0.2664
82	A	A	0.0000
83	A	A	0.0000
84	S	A	0.0000
85	M	A	0.0665
86	A	A	0.0000
87	I	A	0.0000
88	N	A	-1.0965
89	A	A	0.0000
90	I	A	0.0000
91	E	A	-2.7884
92	N	A	-2.3094
93	S	A	-2.3542
94	D	A	-3.1466
95	N	A	-3.0488
96	E	A	-2.9256
97	E	A	-3.0668
98	E	A	-2.5743
99	I	A	0.0000
100	T	A	0.0000
101	H	A	-1.0885
102	W	A	-0.4494
103	L	A	0.0000
104	T	A	0.0000
105	S	A	-0.3782
106	T	A	0.0000
107	L	A	0.0000
108	Q	A	-0.3286
109	Q	A	-0.4768
110	L	A	0.0000
111	F	A	0.0000
112	Y	A	-0.0625
113	V	A	0.0094
114	V	A	0.0000
115	I	A	0.0000
116	P	A	0.0000
117	L	A	-0.3456
118	L	A	0.0000
119	I	A	0.0000
120	E	A	-0.7527
121	K	A	-1.2295
122	L	A	-0.8134
123	A	A	0.0000
124	L	A	-0.1956
125	P	A	-0.7674
126	Q	A	-1.4259
127	G	A	-1.0318
128	G	A	0.0000
129	T	A	-0.7601
130	V	A	-0.1163
131	T	A	-0.4276
132	Y	A	-0.3103
133	D	A	-0.8287
134	W	A	-0.1587
135	D	A	-1.7320
136	H	A	-1.2189
137	R	A	-1.7306
138	V	A	-0.8750
139	T	A	-0.9544
140	V	A	0.0000
141	E	A	-2.3308
142	M	A	0.0000
143	P	A	-1.5404
144	S	A	-1.8954
145	G	A	-2.2944
146	E	A	-3.3621
147	R	A	-3.5467
148	S	A	0.0000
149	R	A	-2.2776
150	A	A	0.0000
151	M	A	-2.2077
152	E	A	-2.6176
153	L	A	0.0000
154	A	A	0.0000
155	E	A	-2.9945
156	W	A	-1.6692
157	R	A	0.0000
158	E	A	-2.8384
159	E	A	-3.3513
160	L	A	0.0000
161	W	A	-2.5010
162	K	A	-3.1528
163	T	A	-2.6332
164	R	A	-3.0644
165	L	A	0.0000
166	S	A	-2.3401
167	K	A	-3.0635
168	F	A	0.0000
169	W	A	-1.3708
170	E	A	-2.1818
171	L	A	-1.2918
172	D	A	0.0000
173	M	A	-0.0551
174	K	A	-1.4697
175	W	A	-0.9925
176	V	A	0.3889
177	K	A	-1.6007
178	G	A	-1.5972
179	E	A	-2.2588
180	V	A	-1.1632
181	S	A	-1.0965
182	G	A	0.0000
183	E	A	-1.3852
184	E	A	-0.8726
185	V	A	0.0000
186	L	A	0.0000
187	D	A	-0.7347
188	V	A	-0.7082
189	A	A	0.0000
190	V	A	0.0000
191	P	A	-0.8599
192	L	A	0.0000
193	F	A	0.0000
194	K	A	-1.2109
195	E	A	-1.5642
196	L	A	0.0000
197	V	A	0.0000
198	D	A	-1.6279
199	Y	A	-0.7144
200	I	A	0.0000
201	E	A	-1.4031
202	S	A	-0.9502
203	N	A	0.0000
204	L	A	-1.0260
205	N	A	-1.4294
206	S	A	-0.9812