Project name: bd863e0e1a4a832

Chain sequence(s)	A: MSHHHHHHSGMTTTFAPTAEGMMQMAVAFIAHMTANIPTLVTKAMEQGIEKYENKDPIYYWYGDNDYYWYTWKDDKYYIKDPGYYAFDEFEKIFFREMGDFWDQYWENMKFYDTASPAERTGMFVAYTVFETGYLVSHVAASVGLKTAAETTLSPAEATKAKAGIEKRFTEFTTDFVDGIERNTRNFESGKPPRRIWNS
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                                          (00:05:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:12)

• Minimal score value: -3.7059
• Maximal score value: 2.2474
• Average score: -0.7574
• Total score value: -150.7217

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	0.5422
2	S	A	-0.6212
3	H	A	-1.7475
4	H	A	-2.4553
5	H	A	-2.8622
6	H	A	-2.9862
7	H	A	-2.6754
8	H	A	-2.2819
9	S	A	0.0000
10	G	A	-0.9449
11	M	A	-0.4196
12	T	A	-0.3056
13	T	A	-0.1288
14	T	A	-0.1206
15	F	A	0.0000
16	A	A	-0.5248
17	P	A	-0.5684
18	T	A	-0.9207
19	A	A	-1.3557
20	E	A	-2.2658
21	G	A	0.0000
22	M	A	0.0000
23	M	A	-0.1661
24	Q	A	-0.9128
25	M	A	0.0000
26	A	A	0.0000
27	V	A	1.6721
28	A	A	0.7110
29	F	A	0.0000
30	I	A	1.1508
31	A	A	0.6042
32	H	A	0.1144
33	M	A	0.0000
34	T	A	0.0083
35	A	A	-0.1951
36	N	A	-0.4723
37	I	A	0.0000
38	P	A	-0.5623
39	T	A	-0.5775
40	L	A	0.0000
41	V	A	0.0000
42	T	A	-1.1276
43	K	A	-1.6620
44	A	A	0.0000
45	M	A	0.0000
46	E	A	-2.6976
47	Q	A	-2.2254
48	G	A	0.0000
49	I	A	-2.1879
50	E	A	-3.6518
51	K	A	-3.2088
52	Y	A	-2.5787
53	E	A	-3.7059
54	N	A	-3.6535
55	K	A	-3.6008
56	D	A	-2.2894
57	P	A	-0.6414
58	I	A	0.0000
59	Y	A	1.9452
60	Y	A	1.7551
61	W	A	1.1756
62	Y	A	0.7099
63	G	A	-1.0518
64	D	A	-2.6139
65	N	A	-2.3469
66	D	A	-1.3386
67	Y	A	1.0930
68	Y	A	2.1268
69	W	A	2.2474
70	Y	A	0.3634
71	T	A	-0.6674
72	W	A	-1.6418
73	K	A	-2.7887
74	D	A	-2.3884
75	D	A	-3.0698
76	K	A	-2.6596
77	Y	A	-1.0910
78	Y	A	0.0000
79	I	A	-0.7282
80	K	A	-1.4310
81	D	A	0.0000
82	P	A	0.0000
83	G	A	0.0000
84	Y	A	0.0000
85	Y	A	0.0000
86	A	A	0.0000
87	F	A	0.0000
88	D	A	0.0000
89	E	A	0.0000
90	F	A	0.0000
91	E	A	-0.4637
92	K	A	-0.5495
93	I	A	0.0000
94	F	A	0.0000
95	F	A	-0.5099
96	R	A	-1.9911
97	E	A	0.0000
98	M	A	0.0000
99	G	A	-1.5022
100	D	A	-1.6064
101	F	A	0.0000
102	W	A	-1.1726
103	D	A	-2.1630
104	Q	A	-1.5101
105	Y	A	0.0000
106	W	A	-1.3261
107	E	A	-2.2516
108	N	A	0.0000
109	M	A	0.0000
110	K	A	-1.7838
111	F	A	-0.3683
112	Y	A	0.0000
113	D	A	-2.2004
114	T	A	-1.0157
115	A	A	-1.0832
116	S	A	-1.0267
117	P	A	-1.2359
118	A	A	-1.0414
119	E	A	-1.8829
120	R	A	-1.5020
121	T	A	-0.6943
122	G	A	-0.7260
123	M	A	0.0000
124	F	A	0.5151
125	V	A	1.1883
126	A	A	0.0000
127	Y	A	0.0000
128	T	A	0.7693
129	V	A	1.2573
130	F	A	0.0000
131	E	A	0.0000
132	T	A	0.5815
133	G	A	0.0000
134	Y	A	0.0000
135	L	A	1.2197
136	V	A	1.2597
137	S	A	0.0000
138	H	A	0.0000
139	V	A	1.6478
140	A	A	1.1822
141	A	A	0.0000
142	S	A	0.0000
143	V	A	1.5215
144	G	A	0.4661
145	L	A	0.0000
146	K	A	-0.7714
147	T	A	-0.5965
148	A	A	-0.8418
149	A	A	0.0000
150	E	A	-2.2365
151	T	A	-1.0443
152	T	A	-0.9284
153	L	A	-0.8637
154	S	A	-0.9788
155	P	A	-1.1845
156	A	A	-1.1396
157	E	A	-1.8997
158	A	A	0.0000
159	T	A	-1.7303
160	K	A	-2.3346
161	A	A	0.0000
162	K	A	-1.8651
163	A	A	-1.5263
164	G	A	0.0000
165	I	A	0.0000
166	E	A	-2.0077
167	K	A	-1.3292
168	R	A	0.0000
169	F	A	-0.6490
170	T	A	-1.0627
171	E	A	-1.2493
172	F	A	0.0000
173	T	A	-0.2676
174	T	A	-0.7853
175	D	A	-1.8568
176	F	A	0.0000
177	V	A	0.4955
178	D	A	-1.3093
179	G	A	0.0000
180	I	A	-0.8518
181	E	A	-1.6723
182	R	A	-2.1639
183	N	A	0.0000
184	T	A	-2.2320
185	R	A	-3.1459
186	N	A	-2.7157
187	F	A	-2.1525
188	E	A	-2.9040
189	S	A	-2.2075
190	G	A	-2.4056
191	K	A	-3.0310
192	P	A	-1.9914
193	P	A	0.0000
194	R	A	-2.5179
195	R	A	-1.9979
196	I	A	0.0000
197	W	A	-0.9370
198	N	A	-1.6805
199	S	A	-1.2544