Project name: RANDOM

Chain sequence(s)	A: MGSSHHHHHHHHHSSGENLYFQGGSVVSKDDPGCKKLQKDISKEHNNLPGSMKAIYVDDDAKKKSTLAVANIQEGNRGHSGVSATRVVAARKAQWGRKYSNYAKGKKVGEASSIRRCGDGPEGKPFEYKENSARPLQGHAEAKVIEEWFEKGGSNPQGTLLLNVSRPCCSECARLIRWANCGKNGAPDCNRIKVCENHQDKESLDSLRCEK
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                                          (00:06:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:49)

• Minimal score value: -3.8317
• Maximal score value: 1.2923
• Average score: -1.3655
• Total score value: -288.1253

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	0.7400
2	G	A	-0.2542
3	S	A	-0.6886
4	S	A	-1.2373
5	H	A	-2.1455
6	H	A	-2.5089
7	H	A	-2.7406
8	H	A	-2.8658
9	H	A	-2.8684
10	H	A	-2.8705
11	H	A	-2.7718
12	H	A	-2.5240
13	H	A	-2.1952
14	S	A	-1.7108
15	S	A	-1.8220
16	G	A	-1.8391
17	E	A	-2.0533
18	N	A	-1.0219
19	L	A	0.9770
20	Y	A	1.2923
21	F	A	0.9134
22	Q	A	-0.2500
23	G	A	-0.9788
24	G	A	-1.1177
25	S	A	0.0000
26	V	A	-0.6564
27	V	A	-0.6929
28	S	A	-1.5809
29	K	A	-3.2878
30	D	A	-3.3612
31	D	A	-2.5523
32	P	A	-2.1649
33	G	A	-2.0119
34	C	A	0.0000
35	K	A	-3.8317
36	K	A	-3.8022
37	L	A	0.0000
38	Q	A	-3.0962
39	K	A	-3.7662
40	D	A	-3.4893
41	I	A	0.0000
42	S	A	-2.5266
43	K	A	-3.4217
44	E	A	-2.4068
45	H	A	-2.2396
46	N	A	-2.6801
47	N	A	-2.2949
48	L	A	0.0000
49	P	A	-0.9260
50	G	A	-1.0161
51	S	A	-0.5157
52	M	A	0.0000
53	K	A	-0.5582
54	A	A	-0.0130
55	I	A	-0.1624
56	Y	A	0.0691
57	V	A	0.7310
58	D	A	-1.3239
59	D	A	-2.5508
60	D	A	-2.7283
61	A	A	-2.3198
62	K	A	-2.9198
63	K	A	-2.2508
64	K	A	-1.8542
65	S	A	0.0000
66	T	A	0.0000
67	L	A	0.0000
68	A	A	0.0000
69	V	A	0.0000
70	A	A	0.0000
71	N	A	-1.2121
72	I	A	-1.2603
73	Q	A	-2.5026
74	E	A	-2.9561
75	G	A	-2.5111
76	N	A	-2.9500
77	R	A	-3.4366
78	G	A	-2.5207
79	H	A	-1.7148
80	S	A	-0.9051
81	G	A	-1.1392
82	V	A	-0.3560
83	S	A	-0.4505
84	A	A	0.0000
85	T	A	0.0000
86	R	A	0.0000
87	V	A	0.2404
88	V	A	0.0526
89	A	A	-0.5981
90	A	A	-1.0880
91	R	A	-2.7651
92	K	A	-2.8407
93	A	A	-1.5789
94	Q	A	-2.0148
95	W	A	-0.7094
96	G	A	-1.6855
97	R	A	-2.8723
98	K	A	-2.8439
99	Y	A	-1.7427
100	S	A	-1.8132
101	N	A	-1.9437
102	Y	A	-1.0091
103	A	A	0.0000
104	K	A	-2.3090
105	G	A	-1.7261
106	K	A	-1.6749
107	K	A	-1.6571
108	V	A	0.0778
109	G	A	-0.9401
110	E	A	-1.2871
111	A	A	-0.8312
112	S	A	0.0000
113	S	A	-1.5517
114	I	A	0.0000
115	R	A	-1.8983
116	R	A	-1.9298
117	C	A	0.0000
118	G	A	-2.0547
119	D	A	-2.2003
120	G	A	-1.6724
121	P	A	-1.8476
122	E	A	-2.5952
123	G	A	0.0000
124	K	A	-2.1413
125	P	A	-1.5859
126	F	A	0.0000
127	E	A	-2.6947
128	Y	A	-2.2026
129	K	A	-3.4150
130	E	A	-3.3091
131	N	A	-2.7441
132	S	A	-1.8914
133	A	A	-1.4336
134	R	A	-1.7088
135	P	A	-1.2556
136	L	A	0.0000
137	Q	A	-0.7765
138	G	A	-0.5241
139	H	A	0.0000
140	A	A	0.0000
141	E	A	0.0000
142	A	A	0.0000
143	K	A	-1.0534
144	V	A	0.0000
145	I	A	0.0000
146	E	A	0.0000
147	E	A	-1.9734
148	W	A	0.0000
149	F	A	0.0000
150	E	A	-3.0681
151	K	A	-3.1066
152	G	A	-2.3432
153	G	A	-2.2195
154	S	A	-2.1104
155	N	A	-2.0558
156	P	A	0.0000
157	Q	A	-2.0758
158	G	A	-2.0554
159	T	A	-1.0669
160	L	A	0.0000
161	L	A	0.0000
162	L	A	0.0000
163	N	A	0.0000
164	V	A	0.0000
165	S	A	0.0000
166	R	A	-0.6986
167	P	A	-1.2268
168	C	A	0.0000
169	C	A	-0.3812
170	S	A	-0.5043
171	E	A	0.0000
172	C	A	0.0000
173	A	A	0.0000
174	R	A	-0.5919
175	L	A	0.0000
176	I	A	0.0000
177	R	A	-1.0746
178	W	A	-0.9398
179	A	A	0.0000
180	N	A	0.0000
181	C	A	0.0000
182	G	A	-2.4774
183	K	A	-3.0235
184	N	A	-3.0142
185	G	A	-2.9611
186	A	A	-2.4847
187	P	A	-2.4299
188	D	A	-2.4007
189	C	A	-1.2285
190	N	A	-1.1006
191	R	A	-1.0304
192	I	A	0.0000
193	K	A	-0.3619
194	V	A	0.0000
195	C	A	0.0000
196	E	A	-1.5043
197	N	A	-1.6906
198	H	A	-1.3289
199	Q	A	-2.0770
200	D	A	-2.8639
201	K	A	-3.5925
202	E	A	-3.5959
203	S	A	0.0000
204	L	A	0.0000
205	D	A	-3.6039
206	S	A	-2.4704
207	L	A	0.0000
208	R	A	-2.9440
209	C	A	-3.0501
210	E	A	-3.6677
211	K	A	-3.0254