Project name: 111

Chain sequence(s)	A: LTCPEEEDTVKVVGIPGCQTCRYLLVRSLQTFSQAWFTCRRCYRGNLVSIHNFNINYRIQCSVSALNQGQVWIGGRITGSGRCRRFQWVDGSRWNFAYWAAHQPWSRGGHCVALCTRGGHWRRAHCLRRLPFICSY
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.8472
• Maximal score value: 1.6315
• Average score: -0.7467
• Total score value: -101.5524

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
87	L	A	1.6315
88	T	A	0.6418
89	C	A	0.1870
90	P	A	-1.3522
91	E	A	-3.3992
92	E	A	-3.8472
93	E	A	-3.5641
94	D	A	-2.7443
95	T	A	-2.1947
96	V	A	-0.8679
97	K	A	-1.3822
98	V	A	0.0000
99	V	A	0.4471
100	G	A	-0.4054
101	I	A	0.0000
102	P	A	-0.5134
103	G	A	-0.4619
104	C	A	-0.4332
105	Q	A	-1.0976
106	T	A	-0.6184
107	C	A	-0.3639
108	R	A	-0.9175
109	Y	A	0.0000
110	L	A	0.0000
111	L	A	0.0000
112	V	A	0.0000
113	R	A	-1.4765
114	S	A	-0.8043
115	L	A	-0.5879
116	Q	A	-0.8022
117	T	A	-0.7525
118	F	A	0.0000
119	S	A	0.2947
120	Q	A	0.0855
121	A	A	0.0000
122	W	A	0.0836
123	F	A	0.4752
124	T	A	0.0000
125	C	A	0.0000
126	R	A	-2.1373
127	R	A	-1.9445
128	C	A	-0.7044
129	Y	A	-1.0711
130	R	A	-2.4408
131	G	A	-1.5281
132	N	A	-1.1670
133	L	A	0.0000
134	V	A	0.0000
135	S	A	-0.7733
136	I	A	0.0000
137	H	A	-0.7133
138	N	A	0.1810
139	F	A	1.5923
140	N	A	0.2288
141	I	A	0.0000
142	N	A	0.0000
143	Y	A	1.0243
144	R	A	0.3137
145	I	A	0.0000
146	Q	A	-0.3237
147	C	A	0.1471
148	S	A	0.1730
149	V	A	0.0000
150	S	A	-0.8558
151	A	A	-0.5016
152	L	A	0.0000
153	N	A	-1.5573
154	Q	A	-1.4241
155	G	A	-1.1220
156	Q	A	-1.2115
157	V	A	0.0000
158	W	A	0.0000
159	I	A	0.0000
160	G	A	0.0000
161	G	A	0.0000
162	R	A	-1.7584
163	I	A	-1.8061
164	T	A	-1.6219
165	G	A	-2.1683
166	S	A	-1.5910
167	G	A	-2.0001
168	R	A	-2.2235
169	C	A	-1.6951
170	R	A	-3.0434
171	R	A	-2.7910
172	F	A	-1.7720
173	Q	A	-1.9738
174	W	A	0.0000
175	V	A	-1.1499
176	D	A	-1.8636
177	G	A	-1.6406
178	S	A	-1.8114
179	R	A	-2.4567
180	W	A	-1.6408
181	N	A	-1.6687
182	F	A	-0.3486
183	A	A	0.1643
184	Y	A	0.3749
185	W	A	-0.1807
186	A	A	-0.5011
187	A	A	-0.5802
188	H	A	-1.0296
189	Q	A	-0.8915
190	P	A	-0.3591
191	W	A	0.1513
192	S	A	-0.9403
193	R	A	-2.1135
194	G	A	-1.8444
195	G	A	0.0000
196	H	A	-1.7668
197	C	A	0.0000
198	V	A	0.0000
199	A	A	0.0000
200	L	A	0.0000
201	C	A	-1.0335
202	T	A	0.0000
203	R	A	-2.2040
204	G	A	-1.3148
205	G	A	0.0000
206	H	A	-0.7597
207	W	A	0.0000
208	R	A	-0.9899
209	R	A	-1.4100
210	A	A	0.0000
211	H	A	-1.5211
212	C	A	-0.8618
213	L	A	0.0490
214	R	A	-1.5854
215	R	A	-1.9943
216	L	A	0.0000
217	P	A	0.0000
218	F	A	0.0000
219	I	A	0.0000
220	C	A	0.0000
221	S	A	-0.6264
222	Y	A	-0.2032