Project name: 6-1

Chain sequence(s)	A: MGSSHHHHHHSSGKPHIDNYLHEKDKEDKIEQYDKEQKAQAAKDPKMKKKPEIPKDKSKVAGYIEIPDANIKEPVYPGPATREQLNRGVSFAEADESLEDQNISIAGHTFIDRPNYQFTNLKAAKKGSKVYFKVGDEVREYKMTSIRNVKPTAVEVLDEQEGKDKQLTLITCDDYNEETGVWETRKIFVATEVKAE
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                                          (00:07:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:10)

• Minimal score value: -4.9071
• Maximal score value: 0.9977
• Average score: -1.5639
• Total score value: -306.5334

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	0.7468
2	G	A	-0.2546
3	S	A	-0.6932
4	S	A	-1.2231
5	H	A	-2.1289
6	H	A	-2.4861
7	H	A	-2.7278
8	H	A	-2.7218
9	H	A	-2.5070
10	H	A	-2.1569
11	S	A	-1.6330
12	S	A	-1.5042
13	G	A	-1.7994
14	K	A	-2.2973
15	P	A	-2.0196
16	H	A	-1.3050
17	I	A	-0.0794
18	D	A	-1.6391
19	N	A	-1.3211
20	Y	A	0.0854
21	L	A	-0.2843
22	H	A	-1.7337
23	E	A	-2.3611
24	K	A	-3.2472
25	D	A	-3.8154
26	K	A	-3.5584
27	E	A	-4.3337
28	D	A	-4.9071
29	K	A	-4.2230
30	I	A	0.0000
31	E	A	-4.5902
32	Q	A	-4.2522
33	Y	A	0.0000
34	D	A	-3.9653
35	K	A	-4.4582
36	E	A	-4.3890
37	Q	A	-3.8809
38	K	A	-4.0964
39	A	A	-3.0463
40	Q	A	-3.7219
41	A	A	-3.1671
42	A	A	-2.1251
43	K	A	-2.6845
44	D	A	-2.4151
45	P	A	-2.1601
46	K	A	-2.3509
47	M	A	-1.9705
48	K	A	-3.4946
49	K	A	-3.8191
50	K	A	-3.8378
51	P	A	-3.1483
52	E	A	-2.8821
53	I	A	-1.7816
54	P	A	-2.1699
55	K	A	-2.9099
56	D	A	-2.7386
57	K	A	-2.7395
58	S	A	-2.2985
59	K	A	-2.6952
60	V	A	-1.2824
61	A	A	0.0000
62	G	A	0.0000
63	Y	A	0.0000
64	I	A	0.0000
65	E	A	-1.5860
66	I	A	0.0000
67	P	A	-1.9742
68	D	A	-3.0368
69	A	A	0.0000
70	N	A	-2.4404
71	I	A	0.0000
72	K	A	-1.7539
73	E	A	0.0000
74	P	A	0.0000
75	V	A	0.0000
76	Y	A	0.0000
77	P	A	0.0000
78	G	A	0.0000
79	P	A	-1.5787
80	A	A	-1.2075
81	T	A	-1.7316
82	R	A	-2.9045
83	E	A	-3.3561
84	Q	A	0.0000
85	L	A	0.0000
86	N	A	-2.8371
87	R	A	-2.6270
88	G	A	0.0000
89	V	A	0.0000
90	S	A	0.0000
91	F	A	0.0000
92	A	A	-1.0016
93	E	A	-2.1800
94	A	A	-1.9285
95	D	A	-2.3422
96	E	A	-1.8846
97	S	A	-1.8467
98	L	A	0.0000
99	E	A	-2.6729
100	D	A	-2.4027
101	Q	A	0.0000
102	N	A	0.0000
103	I	A	0.0000
104	S	A	0.0000
105	I	A	0.0000
106	A	A	0.0000
107	G	A	0.0000
108	H	A	0.0000
109	T	A	-0.1443
110	F	A	0.7554
111	I	A	0.9977
112	D	A	-0.9896
113	R	A	-1.3138
114	P	A	-0.9135
115	N	A	-1.4394
116	Y	A	-0.5648
117	Q	A	0.0000
118	F	A	0.0000
119	T	A	0.0000
120	N	A	-1.2780
121	L	A	0.0000
122	K	A	-2.2735
123	A	A	-1.9594
124	A	A	0.0000
125	K	A	-3.3095
126	K	A	-2.8174
127	G	A	-2.3062
128	S	A	0.0000
129	K	A	-2.2376
130	V	A	0.0000
131	Y	A	-0.3646
132	F	A	0.0000
133	K	A	-0.4425
134	V	A	0.0000
135	G	A	-2.8210
136	D	A	-3.4035
137	E	A	-1.7446
138	V	A	0.4868
139	R	A	-0.3301
140	E	A	-1.1917
141	Y	A	0.0000
142	K	A	-2.0143
143	M	A	0.0000
144	T	A	-1.1697
145	S	A	-0.8166
146	I	A	-1.1391
147	R	A	-1.9578
148	N	A	-2.5001
149	V	A	0.0000
150	K	A	-2.1878
151	P	A	-1.1462
152	T	A	-0.4371
153	A	A	-0.2441
154	V	A	0.4310
155	E	A	-1.6383
156	V	A	-0.8076
157	L	A	-1.3617
158	D	A	-3.1636
159	E	A	-4.0858
160	Q	A	-3.7704
161	E	A	-3.8901
162	G	A	-3.0279
163	K	A	-4.0163
164	D	A	-3.8280
165	K	A	-3.4844
166	Q	A	-1.8966
167	L	A	0.0000
168	T	A	0.0000
169	L	A	0.0000
170	I	A	0.0000
171	T	A	0.0000
172	C	A	-0.8534
173	D	A	-1.6831
174	D	A	-2.3935
175	Y	A	-1.8657
176	N	A	-2.3196
177	E	A	-2.8842
178	E	A	-2.7126
179	T	A	-1.5225
180	G	A	-1.3628
181	V	A	-0.5094
182	W	A	-1.4414
183	E	A	-2.4896
184	T	A	-2.2898
185	R	A	0.0000
186	K	A	-2.0812
187	I	A	0.0000
188	F	A	0.0000
189	V	A	-0.2405
190	A	A	0.0000
191	T	A	-1.7751
192	E	A	-2.0029
193	V	A	-1.6245
194	K	A	-2.4426
195	A	A	-1.6359
196	E	A	-2.1521