Project name: b460a6e70f73e82

Chain sequence(s)	A: LDETTYERLAEETLDSLAEFFEDLADKPYTFEDYDVSFGSGVLTVKLGGDLGTYVINKQTPNKQIWLSSPSSGPKRYDWTGKNWVYSHDGVSLHELLAAELTKALKTKLDLSSLAYSGK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)

• Minimal score value: -3.7847
• Maximal score value: 0.5209
• Average score: -1.2326
• Total score value: -146.6767

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
90	L	A	0.1469
91	D	A	-1.8537
92	E	A	-3.0008
93	T	A	-1.9192
94	T	A	-1.7506
95	Y	A	0.0000
96	E	A	-3.0540
97	R	A	-3.3266
98	L	A	-2.2672
99	A	A	0.0000
100	E	A	-3.7847
101	E	A	-3.2129
102	T	A	0.0000
103	L	A	0.0000
104	D	A	-3.0572
105	S	A	-1.9329
106	L	A	0.0000
107	A	A	0.0000
108	E	A	-3.1316
109	F	A	-2.0513
110	F	A	0.0000
111	E	A	-3.7313
112	D	A	-3.6054
113	L	A	0.0000
114	A	A	-2.6814
115	D	A	-2.9179
116	K	A	-1.9544
117	P	A	-0.8979
118	Y	A	-0.5327
119	T	A	-0.9466
120	F	A	-1.0611
121	E	A	-2.5312
122	D	A	-3.1401
123	Y	A	-2.5221
124	D	A	-2.9890
125	V	A	-1.8679
126	S	A	-0.4333
127	F	A	0.1335
128	G	A	-0.1136
129	S	A	-0.3097
130	G	A	-0.6993
131	V	A	0.5209
132	L	A	0.0000
133	T	A	-0.1039
134	V	A	0.0000
135	K	A	-2.2933
136	L	A	0.0000
137	G	A	-2.0101
138	G	A	-1.5112
139	D	A	-1.9947
140	L	A	-0.7299
141	G	A	-1.0448
142	T	A	-0.9860
143	Y	A	0.0000
144	V	A	0.5038
145	I	A	0.0000
146	N	A	-0.3458
147	K	A	-1.5013
148	Q	A	-1.3974
149	T	A	-1.9094
150	P	A	-1.5727
151	N	A	-2.3737
152	K	A	-2.4218
153	Q	A	-1.7391
154	I	A	0.0000
155	W	A	-0.8124
156	L	A	0.0000
157	S	A	-0.3528
158	S	A	0.0000
159	P	A	-0.6332
160	S	A	-0.4332
161	S	A	-0.4578
162	G	A	-0.4959
163	P	A	-0.7437
164	K	A	-1.1759
165	R	A	-2.0499
166	Y	A	0.0000
167	D	A	-1.1701
168	W	A	-0.4575
169	T	A	-0.9327
170	G	A	-1.1302
171	K	A	-2.0642
172	N	A	-1.1836
173	W	A	0.0000
174	V	A	-0.9606
175	Y	A	-1.0773
176	S	A	-1.4904
177	H	A	-2.0914
178	D	A	-2.2622
179	G	A	-1.2315
180	V	A	-0.5911
181	S	A	0.0000
182	L	A	0.0000
183	H	A	0.0000
184	E	A	-2.0354
185	L	A	-0.5582
186	L	A	0.0000
187	A	A	-1.6548
188	A	A	-1.3885
189	E	A	-1.2018
190	L	A	0.0000
191	T	A	-2.2409
192	K	A	-2.6170
193	A	A	-1.3115
194	L	A	0.0000
195	K	A	-2.6159
196	T	A	-2.1140
197	K	A	-2.6817
198	L	A	-1.9932
199	D	A	-2.4234
200	L	A	0.0000
201	S	A	-1.4859
202	S	A	-0.7872
203	L	A	-0.8193
204	A	A	-0.7029
205	Y	A	-0.6013
206	S	A	0.0000
207	G	A	-1.6103
208	K	A	-2.1283