Project name: 3f8fb586b2e99ce

Chain sequence(s)	A: MSHHHHHHSGMPSISELVKPENQTLEGFKLLVKKAKELAKELEEMVKTGSYTDNEKYYELEYEAYRVLRLVYKGDFLKIVEEYAAGVATGSLSEEEREETMEAIAGFIEAVYRIYDSLYKIYMYRGMFYPHPYEVFYKFEKVFLEALTIIIAVDPEGAKKFVEALKKIHEEVYGDSSYVDKLIAEAEARAPAVAARLPELVARVANS
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             (00:00:01)
[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                                          (00:10:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:05)

• Minimal score value: -5.2266
• Maximal score value: 2.5673
• Average score: -1.1046
• Total score value: -228.6488

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	0.5625
2	S	A	-0.6058
3	H	A	-1.7278
4	H	A	-2.3280
5	H	A	-2.7128
6	H	A	-2.7417
7	H	A	-2.5336
8	H	A	-2.1065
9	S	A	-1.2447
10	G	A	-0.7899
11	M	A	-0.1223
12	P	A	-0.3097
13	S	A	-0.4981
14	I	A	0.0000
15	S	A	-0.9297
16	E	A	-1.9439
17	L	A	0.0000
18	V	A	-1.5951
19	K	A	-2.3080
20	P	A	-2.0884
21	E	A	-2.7408
22	N	A	-2.3461
23	Q	A	-1.8624
24	T	A	-1.3856
25	L	A	-1.4324
26	E	A	-2.2676
27	G	A	-1.5477
28	F	A	0.0000
29	K	A	-1.6850
30	L	A	-0.6027
31	L	A	0.0000
32	V	A	0.0000
33	K	A	-2.3312
34	K	A	-2.1241
35	A	A	0.0000
36	K	A	-3.6635
37	E	A	-3.9153
38	L	A	0.0000
39	A	A	0.0000
40	K	A	-4.2805
41	E	A	-3.9626
42	L	A	0.0000
43	E	A	-3.4834
44	E	A	-3.3415
45	M	A	0.0000
46	V	A	-1.7645
47	K	A	-2.5154
48	T	A	-1.3630
49	G	A	-0.9257
50	S	A	-1.2783
51	Y	A	-1.1833
52	T	A	-1.3808
53	D	A	-2.7239
54	N	A	-2.9883
55	E	A	-3.3552
56	K	A	-2.8635
57	Y	A	0.0000
58	Y	A	-0.8881
59	E	A	-1.9395
60	L	A	-1.0576
61	E	A	-0.0818
62	Y	A	0.4852
63	E	A	-0.3296
64	A	A	0.0000
65	Y	A	-0.1098
66	R	A	-0.5562
67	V	A	0.0000
68	L	A	0.0000
69	R	A	-1.4996
70	L	A	0.0000
71	V	A	0.0000
72	Y	A	-0.9588
73	K	A	-2.0986
74	G	A	-1.2933
75	D	A	-1.3504
76	F	A	0.0000
77	L	A	-0.7157
78	K	A	-1.2760
79	I	A	0.0000
80	V	A	0.0000
81	E	A	-0.8095
82	E	A	-1.0458
83	Y	A	0.0000
84	A	A	0.0000
85	A	A	0.0000
86	G	A	-0.5796
87	V	A	0.0000
88	A	A	-0.1438
89	T	A	-0.2461
90	G	A	-0.8239
91	S	A	-0.8063
92	L	A	-1.6222
93	S	A	-2.6744
94	E	A	-4.0982
95	E	A	-4.6573
96	E	A	-4.7053
97	R	A	-4.1586
98	E	A	-5.2266
99	E	A	-4.9590
100	T	A	0.0000
101	M	A	0.0000
102	E	A	-3.3789
103	A	A	0.0000
104	I	A	0.0000
105	A	A	0.0000
106	G	A	0.0000
107	F	A	0.0000
108	I	A	0.0000
109	E	A	-1.3243
110	A	A	0.0000
111	V	A	0.0000
112	Y	A	0.0000
113	R	A	-1.8143
114	I	A	0.0000
115	Y	A	0.0000
116	D	A	-0.7847
117	S	A	0.0000
118	L	A	0.0000
119	Y	A	0.4276
120	K	A	-0.2943
121	I	A	0.0000
122	Y	A	0.0000
123	M	A	1.1806
124	Y	A	1.0409
125	R	A	0.3878
126	G	A	0.5511
127	M	A	1.3902
128	F	A	2.5673
129	Y	A	2.0003
130	P	A	0.8619
131	H	A	0.3648
132	P	A	0.0000
133	Y	A	0.3070
134	E	A	-1.2147
135	V	A	-0.2819
136	F	A	0.1602
137	Y	A	0.3646
138	K	A	-0.9276
139	F	A	0.0000
140	E	A	0.0000
141	K	A	-1.6867
142	V	A	0.0000
143	F	A	0.0000
144	L	A	-1.3758
145	E	A	-1.3164
146	A	A	0.0000
147	L	A	0.0000
148	T	A	0.0000
149	I	A	0.0000
150	I	A	0.0000
151	I	A	-0.8927
152	A	A	-0.3419
153	V	A	-0.0215
154	D	A	-1.0134
155	P	A	-1.7614
156	E	A	-2.8605
157	G	A	-2.4386
158	A	A	0.0000
159	K	A	-3.1303
160	K	A	-3.2284
161	F	A	0.0000
162	V	A	-2.1642
163	E	A	-3.1856
164	A	A	0.0000
165	L	A	0.0000
166	K	A	-3.2820
167	K	A	-3.5570
168	I	A	0.0000
169	H	A	0.0000
170	E	A	-3.3396
171	E	A	-2.7757
172	V	A	-1.2986
173	Y	A	-0.8107
174	G	A	-1.9137
175	D	A	-2.3656
176	S	A	-2.2878
177	S	A	-1.6196
178	Y	A	-0.9904
179	V	A	0.0000
180	D	A	-2.6974
181	K	A	-2.9320
182	L	A	0.0000
183	I	A	-1.9356
184	A	A	-2.3331
185	E	A	-2.9793
186	A	A	0.0000
187	E	A	-2.5734
188	A	A	-1.7004
189	R	A	-1.6225
190	A	A	0.0000
191	P	A	-0.7699
192	A	A	-0.6463
193	V	A	-0.6256
194	A	A	-0.5495
195	A	A	-0.9005
196	R	A	-2.0866
197	L	A	-1.1691
198	P	A	-1.4139
199	E	A	-2.2167
200	L	A	0.0000
201	V	A	-1.0293
202	A	A	-1.2584
203	R	A	-2.1845
204	V	A	-1.3420
205	A	A	-1.1033
206	N	A	-1.6885
207	S	A	-1.2523