Project name: 60618eda8138378

Chain sequence(s)	A: MSHHHHHHSGNVATIAASFKAMVEFFKQLDDALAGSPKADDPIYAKMIEQAAKIRANFKELEAYWTAKKDGKWGNTKKDKTEEEAAEDVRYFTRHKLPRFFYNMYRDAYEAGDKPLAEFAYHLYEPLHWTTDWPPYTIVRNKDGKDTFYISDWDKRWIKTAFVEMSEIMNLSPAEAESMESTFVEGFSNLGQFLVPNS
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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:01)

• Minimal score value: -4.2766
• Maximal score value: 1.5616
• Average score: -1.2586
• Total score value: -249.2093

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	0.5628
2	S	A	-0.6049
3	H	A	-1.7288
4	H	A	-2.3113
5	H	A	-2.6834
6	H	A	-2.7598
7	H	A	-2.7196
8	H	A	-2.4715
9	S	A	-2.1367
10	G	A	-1.9674
11	N	A	-2.0412
12	V	A	-1.3700
13	A	A	-1.1103
14	T	A	-0.6412
15	I	A	-0.2707
16	A	A	-0.4204
17	A	A	-0.2191
18	S	A	-0.3516
19	F	A	-0.6902
20	K	A	-1.3120
21	A	A	-0.5269
22	M	A	-0.2669
23	V	A	0.0000
24	E	A	-1.8180
25	F	A	-0.1142
26	F	A	-0.7967
27	K	A	-2.0204
28	Q	A	-1.9940
29	L	A	-0.8795
30	D	A	-1.9685
31	D	A	-2.3497
32	A	A	-1.2599
33	L	A	-1.0872
34	A	A	-1.2945
35	G	A	-1.3934
36	S	A	-1.4851
37	P	A	-1.5525
38	K	A	-2.3894
39	A	A	-1.7786
40	D	A	-2.6341
41	D	A	-1.8101
42	P	A	-0.6086
43	I	A	0.6306
44	Y	A	-0.6772
45	A	A	-1.4030
46	K	A	-1.8821
47	M	A	-0.9036
48	I	A	-1.3937
49	E	A	-2.8244
50	Q	A	-2.5990
51	A	A	0.0000
52	A	A	-2.0666
53	K	A	-2.5902
54	I	A	-1.3806
55	R	A	-1.9343
56	A	A	-1.9720
57	N	A	-2.1774
58	F	A	-1.5041
59	K	A	-2.2379
60	E	A	-1.9792
61	L	A	-0.5174
62	E	A	-0.8967
63	A	A	-0.6977
64	Y	A	0.2663
65	W	A	-0.1559
66	T	A	-1.0383
67	A	A	-1.2612
68	K	A	-1.8422
69	K	A	-2.7002
70	D	A	-2.6193
71	G	A	-2.4518
72	K	A	-2.5260
73	W	A	-1.1769
74	G	A	-1.5927
75	N	A	-2.3376
76	T	A	-2.2431
77	K	A	-3.7034
78	K	A	-4.0376
79	D	A	-4.2766
80	K	A	-4.1381
81	T	A	-3.5625
82	E	A	-3.5395
83	E	A	-3.4470
84	E	A	-4.0073
85	A	A	-2.7751
86	A	A	-2.1399
87	E	A	-2.8901
88	D	A	-2.2400
89	V	A	-0.9162
90	R	A	-0.8510
91	Y	A	0.0044
92	F	A	-0.2926
93	T	A	0.0000
94	R	A	-1.1946
95	H	A	-1.4394
96	K	A	-1.5142
97	L	A	-0.4492
98	P	A	0.0000
99	R	A	-1.6248
100	F	A	0.5543
101	F	A	0.0000
102	Y	A	-0.6977
103	N	A	-0.9416
104	M	A	-0.6946
105	Y	A	-1.2273
106	R	A	-2.2107
107	D	A	-2.7529
108	A	A	0.0000
109	Y	A	-1.4733
110	E	A	-2.5386
111	A	A	-1.6613
112	G	A	-1.6998
113	D	A	-2.2506
114	K	A	-2.4056
115	P	A	-1.6049
116	L	A	-0.9509
117	A	A	0.0000
118	E	A	-1.6396
119	F	A	0.0000
120	A	A	0.0000
121	Y	A	-0.1540
122	H	A	-0.8223
123	L	A	0.0000
124	Y	A	0.0000
125	E	A	-0.2287
126	P	A	0.0000
127	L	A	0.0000
128	H	A	-0.8318
129	W	A	0.0662
130	T	A	0.0000
131	T	A	0.0000
132	D	A	-1.0230
133	W	A	0.4023
134	P	A	0.4346
135	P	A	0.4834
136	Y	A	1.5616
137	T	A	0.0000
138	I	A	0.4464
139	V	A	-0.0954
140	R	A	-2.7443
141	N	A	-2.8316
142	K	A	-3.3453
143	D	A	-3.4261
144	G	A	-2.8241
145	K	A	-2.7806
146	D	A	0.0000
147	T	A	-0.5525
148	F	A	0.0000
149	Y	A	0.4603
150	I	A	0.0000
151	S	A	0.0000
152	D	A	-2.2234
153	W	A	-1.2051
154	D	A	0.0000
155	K	A	-2.8883
156	R	A	-3.1571
157	W	A	-1.5468
158	I	A	0.0000
159	K	A	-2.5363
160	T	A	-1.2088
161	A	A	0.0000
162	F	A	0.0000
163	V	A	0.3906
164	E	A	-0.6753
165	M	A	-0.2538
166	S	A	-0.8400
167	E	A	-1.5717
168	I	A	-0.2577
169	M	A	-0.2131
170	N	A	-1.5384
171	L	A	-0.9589
172	S	A	-1.0737
173	P	A	-1.1684
174	A	A	-1.3465
175	E	A	-2.0654
176	A	A	0.0000
177	E	A	-2.3778
178	S	A	-1.4615
179	M	A	-0.9372
180	E	A	-1.5982
181	S	A	-1.5040
182	T	A	-0.9085
183	F	A	-0.7059
184	V	A	-1.2033
185	E	A	-2.0896
186	G	A	-1.3480
187	F	A	0.0000
188	S	A	-1.0093
189	N	A	-1.5527
190	L	A	-0.4586
191	G	A	0.0000
192	Q	A	-0.4471
193	F	A	-0.1785
194	L	A	0.0000
195	V	A	0.0000
196	P	A	-0.9138
197	N	A	-1.8956
198	S	A	-1.2860