Project name: 22c8271a0e941dd

Chain sequence(s)	A: MATPGTQEPSSSKLLSRPCFCGCHLRGEEPDRVLPAAGAHLPFPFSRDARLRASRNELFFHLKPQAWVFHPRDVFCFGLGVDWPLAERVRDSPVTAQGGREAAPPRCRPATQPARLAQRVASRFRKRRPLIGLESWGLLKALRGGFPPSGEGLPALPGLKSAILRASLVTFLLVGITSSPPPLVYDL
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                                          (00:06:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:06)

• Minimal score value: -4.5984
• Maximal score value: 4.2082
• Average score: -0.4023
• Total score value: -75.2294

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	0.6085
2	A	A	0.3298
3	T	A	0.0308
4	P	A	-0.5160
5	G	A	-1.2311
6	T	A	-1.1640
7	Q	A	-2.5445
8	E	A	-2.8796
9	P	A	-1.8852
10	S	A	-1.4129
11	S	A	-1.0344
12	S	A	-1.1854
13	K	A	-1.6982
14	L	A	0.1343
15	L	A	1.3115
16	S	A	0.3416
17	R	A	0.2656
18	P	A	0.7443
19	C	A	1.5412
20	F	A	1.9310
21	C	A	0.0000
22	G	A	-0.9069
23	C	A	-0.1766
24	H	A	-1.7535
25	L	A	0.0000
26	R	A	-2.2942
27	G	A	-2.2243
28	E	A	-3.4119
29	E	A	-3.9597
30	P	A	-3.0709
31	D	A	-3.3213
32	R	A	-3.0879
33	V	A	0.0000
34	L	A	-1.2815
35	P	A	-1.4432
36	A	A	-0.6899
37	A	A	0.0000
38	G	A	-0.9534
39	A	A	-0.6175
40	H	A	-0.9011
41	L	A	-0.0860
42	P	A	0.4949
43	F	A	0.8130
44	P	A	0.6187
45	F	A	1.4843
46	S	A	0.2360
47	R	A	0.0000
48	D	A	-0.6873
49	A	A	-0.1423
50	R	A	0.0000
51	L	A	-1.2227
52	R	A	-2.6076
53	A	A	0.0000
54	S	A	-1.3030
55	R	A	-1.9887
56	N	A	-1.7609
57	E	A	0.0000
58	L	A	-0.5543
59	F	A	1.0493
60	F	A	0.3735
61	H	A	-0.7191
62	L	A	-1.3426
63	K	A	-1.6481
64	P	A	-1.3216
65	Q	A	0.0000
66	A	A	-0.9049
67	W	A	0.0155
68	V	A	0.0000
69	F	A	0.0000
70	H	A	0.0000
71	P	A	0.0913
72	R	A	-0.1367
73	D	A	0.0000
74	V	A	0.5735
75	F	A	0.8166
76	C	A	0.0000
77	F	A	0.0000
78	G	A	0.9506
79	L	A	1.7331
80	G	A	1.0223
81	V	A	1.1429
82	D	A	-0.7672
83	W	A	-0.8827
84	P	A	-0.7443
85	L	A	0.0000
86	A	A	0.0000
87	E	A	-2.2024
88	R	A	-2.7432
89	V	A	0.0000
90	R	A	0.0000
91	D	A	-2.7691
92	S	A	0.0000
93	P	A	-0.4419
94	V	A	0.0922
95	T	A	-0.5249
96	A	A	-0.2861
97	Q	A	-2.0606
98	G	A	-1.7120
99	G	A	-2.2302
100	R	A	-3.2745
101	E	A	-3.1137
102	A	A	-1.8587
103	A	A	-2.0763
104	P	A	0.0000
105	P	A	-1.7780
106	R	A	0.0000
107	C	A	-1.5135
108	R	A	-2.3720
109	P	A	-1.5426
110	A	A	0.0000
111	T	A	-1.9056
112	Q	A	-2.3460
113	P	A	0.0000
114	A	A	-2.5887
115	R	A	-3.4237
116	L	A	0.0000
117	A	A	0.0000
118	Q	A	-3.4153
119	R	A	-3.2280
120	V	A	0.0000
121	A	A	0.0000
122	S	A	-3.3148
123	R	A	-4.1047
124	F	A	-3.3980
125	R	A	-4.3079
126	K	A	-4.5984
127	R	A	-4.2283
128	R	A	-3.5358
129	P	A	-1.2040
130	L	A	0.9485
131	I	A	1.5254
132	G	A	-0.5992
133	L	A	0.0000
134	E	A	-0.2776
135	S	A	0.3513
136	W	A	0.0000
137	G	A	0.2577
138	L	A	1.3621
139	L	A	1.0934
140	K	A	0.0000
141	A	A	1.2772
142	L	A	1.2364
143	R	A	0.0000
144	G	A	0.0000
145	G	A	0.6851
146	F	A	1.2606
147	P	A	0.0000
148	P	A	0.0000
149	S	A	0.5924
150	G	A	0.0000
151	E	A	-0.2607
152	G	A	0.0898
153	L	A	1.0919
154	P	A	0.0886
155	A	A	0.3411
156	L	A	1.3000
157	P	A	0.2835
158	G	A	0.1285
159	L	A	0.7131
160	K	A	0.1554
161	S	A	-0.2119
162	A	A	0.1107
163	I	A	0.0000
164	L	A	0.7279
165	R	A	-0.0289
166	A	A	1.2667
167	S	A	1.6464
168	L	A	3.1762
169	V	A	3.3886
170	T	A	0.0000
171	F	A	3.6830
172	L	A	4.2082
173	L	A	3.2281
174	V	A	0.0000
175	G	A	1.7771
176	I	A	2.6139
177	T	A	0.7422
178	S	A	0.0030
179	S	A	0.6790
180	P	A	0.2535
181	P	A	-0.2707
182	P	A	0.3895
183	L	A	1.4780
184	V	A	2.3131
185	Y	A	2.0508
186	D	A	0.1096
187	L	A	1.6098