Project name: c850767ad7e8f8

Chain sequence(s)	A: DDIRQVYYRDKGISHAKAGRYSEAVVMLEQVYDADAFDVEVALHLGIAYVKTGAVDRGTELLERSIADAPDNIKKVATVVLGLTYVQVQKYDLAVPLLVKVAEANNPVNFNVRFRLGVALDNLGRFDEAIDDSFKIALGLRPNNEGKVHRRAIAYSYEQMGSHEEEALPHFKKANELDERRSAVELALV
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                                          (00:05:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:01)

• Minimal score value: -4.8375
• Maximal score value: 2.71
• Average score: -0.9914
• Total score value: -179.4509

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
42	D	A	-2.2954
43	D	A	-1.6880
44	I	A	0.7199
45	R	A	-0.6843
46	Q	A	-0.9077
47	V	A	0.3858
48	Y	A	0.3520
49	Y	A	-0.2311
50	R	A	-1.4419
51	D	A	-1.8838
52	K	A	-1.6079
53	G	A	0.0000
54	I	A	0.0000
55	S	A	-2.0214
56	H	A	-2.0061
57	A	A	0.0000
58	K	A	-2.1293
59	A	A	-1.4706
60	G	A	-1.9868
61	R	A	-2.6482
62	Y	A	-1.4987
63	S	A	-1.0385
64	E	A	-1.5407
65	A	A	0.0000
66	V	A	-0.2051
67	V	A	0.8972
68	M	A	-0.3143
69	L	A	0.0000
70	E	A	-1.4420
71	Q	A	-1.0813
72	V	A	-0.6947
73	Y	A	-1.4549
74	D	A	-2.2036
75	A	A	-1.5386
76	D	A	-2.1460
77	A	A	-1.1768
78	F	A	-1.2189
79	D	A	-1.1267
80	V	A	-0.6378
81	E	A	-0.8136
82	V	A	0.0000
83	A	A	0.0000
84	L	A	0.0000
85	H	A	-0.4617
86	L	A	0.0000
87	G	A	0.0000
88	I	A	-0.1965
89	A	A	0.0000
90	Y	A	0.0000
91	V	A	-0.9128
92	K	A	-1.7160
93	T	A	-0.8390
94	G	A	-1.1718
95	A	A	-1.1702
96	V	A	-1.2485
97	D	A	-2.5783
98	R	A	-2.7639
99	G	A	0.0000
100	T	A	0.0000
101	E	A	-3.0481
102	L	A	0.0000
103	L	A	0.0000
104	E	A	-2.3070
105	R	A	-2.0241
106	S	A	0.0000
107	I	A	-1.5467
108	A	A	-1.5077
109	D	A	-2.2826
110	A	A	-1.6170
111	P	A	-1.6554
112	D	A	-2.3598
113	N	A	-1.6579
114	I	A	-1.1275
115	K	A	-1.6114
116	V	A	0.0000
117	A	A	0.0000
118	T	A	-0.1248
119	V	A	0.1513
120	L	A	0.0000
121	G	A	0.0000
122	L	A	-0.0716
123	T	A	0.0000
124	Y	A	0.0000
125	V	A	-1.0091
126	Q	A	-1.2377
127	V	A	-0.6240
128	Q	A	-1.8121
129	K	A	-1.6667
130	Y	A	-1.4058
131	D	A	-1.6895
132	L	A	-0.2603
133	A	A	0.0000
134	V	A	0.1637
135	P	A	0.2006
136	L	A	0.3125
137	L	A	0.0000
138	V	A	0.5846
139	K	A	-0.9466
140	V	A	0.0000
141	A	A	0.0000
142	E	A	-1.9302
143	A	A	-1.3518
144	N	A	-1.2275
145	P	A	-0.5390
146	V	A	0.7747
147	N	A	-0.2191
148	F	A	-0.2119
149	N	A	-0.5290
150	V	A	0.0000
151	R	A	-0.5619
152	F	A	0.0000
153	R	A	-0.8524
154	L	A	0.0000
155	G	A	0.0000
156	V	A	-0.3217
157	A	A	0.0000
158	L	A	0.0000
159	D	A	-1.6043
160	N	A	-1.5730
161	L	A	-0.8922
162	G	A	-1.6609
163	R	A	-2.6210
164	F	A	-2.4162
165	D	A	-3.4273
166	E	A	-3.9089
167	A	A	0.0000
168	I	A	0.0000
169	D	A	-2.9802
170	S	A	0.0000
171	F	A	0.0000
172	K	A	-1.6242
173	I	A	-0.1276
174	A	A	0.0000
175	L	A	-1.3705
176	G	A	-0.7450
177	L	A	-0.6413
178	R	A	-2.1610
179	P	A	-1.9296
180	N	A	-3.1168
181	E	A	-2.6925
182	G	A	0.0000
183	K	A	-2.1946
184	V	A	0.0000
185	H	A	0.0000
186	R	A	-1.3801
187	A	A	-0.2836
188	I	A	0.0000
189	A	A	0.0000
190	Y	A	0.2731
191	S	A	0.0000
192	Y	A	-1.4800
193	E	A	-1.9780
194	Q	A	-1.5268
195	M	A	-1.1011
196	G	A	-1.6843
197	S	A	-2.0073
198	H	A	-2.6543
199	E	A	-3.0934
200	E	A	-2.7934
201	A	A	0.0000
202	L	A	-1.0684
203	P	A	-1.5569
204	H	A	-1.4575
205	F	A	-1.4763
206	K	A	-2.7098
207	K	A	-3.2664
208	A	A	0.0000
209	N	A	-4.3557
210	E	A	-4.4622
211	L	A	0.0000
212	D	A	-4.8375
213	E	A	-4.4926
214	R	A	-4.0778
215	S	A	-2.6693
216	A	A	-0.7898
217	V	A	-0.1078
218	E	A	-0.6464
219	L	A	1.8161
220	A	A	1.8337
221	L	A	2.5490
222	V	A	2.7100