Project name: HA-tbid

Chain sequence(s)	A: YPYDVPDYAGNRSSHSRLGRIEADSESQEDIIRNIARHLAQVGDSMDRSIPPGLVNGLALQLRNTSRSEEDRNRDLATALEQLLQAYPRDMEKEKTMLVLALLLAKKVASHTPSLLRDVFHTTVNFINQNLRTYVRSLARNGMD
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                                          (00:02:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:45)

• Minimal score value: -3.8361
• Maximal score value: 1.305
• Average score: -1.3873
• Total score value: -199.7776

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
54	Y	A	1.3050
55	P	A	0.6908
56	Y	A	1.1963
57	D	A	-0.5019
58	V	A	0.8995
59	P	A	-0.2595
60	D	A	-1.1191
61	Y	A	0.3565
62	A	A	-0.3689
63	G	A	-1.4521
64	N	A	-2.3034
65	R	A	-2.7408
66	S	A	-1.8474
67	S	A	-1.6513
68	H	A	-1.5523
69	S	A	-1.5391
70	R	A	-1.8373
71	L	A	0.0871
72	G	A	-1.0130
73	R	A	-1.6015
74	I	A	-0.1095
75	E	A	-2.2253
76	A	A	-1.8605
77	D	A	-2.8575
78	S	A	-2.9313
79	E	A	-3.7626
80	S	A	-2.9394
81	Q	A	-3.2038
82	E	A	-3.7325
83	D	A	-3.4801
84	I	A	0.0000
85	I	A	-1.1782
86	R	A	-2.9063
87	N	A	-2.0637
88	I	A	-0.9470
89	A	A	-1.4570
90	R	A	-2.6013
91	H	A	-1.9539
92	L	A	-1.2888
93	A	A	-1.7224
94	Q	A	-2.3666
95	V	A	0.0000
96	G	A	0.0000
97	D	A	-2.7909
98	S	A	-1.8456
99	M	A	0.0000
100	D	A	-2.2170
101	R	A	-2.5396
102	S	A	-1.3793
103	I	A	0.0000
104	P	A	-0.8765
105	P	A	-0.9468
106	G	A	-0.9632
107	L	A	-0.5148
108	V	A	0.0000
109	N	A	-1.2343
110	G	A	-0.6993
111	L	A	0.0000
112	A	A	0.0000
113	L	A	-0.0101
114	Q	A	-1.3586
115	L	A	0.0000
116	R	A	-2.3121
117	N	A	-2.2144
118	T	A	-1.6659
119	S	A	-1.3431
120	R	A	-2.0998
121	S	A	-2.4080
122	E	A	-3.5824
123	E	A	-3.8361
124	D	A	-3.4804
125	R	A	-3.1044
126	N	A	-2.8659
127	R	A	-3.3545
128	D	A	-2.5821
129	L	A	0.0000
130	A	A	-1.8249
131	T	A	-1.7572
132	A	A	0.0000
133	L	A	0.0000
134	E	A	-2.8361
135	Q	A	-2.3516
136	L	A	0.0000
137	L	A	-1.9988
138	Q	A	-2.1416
139	A	A	-1.1672
140	Y	A	-1.4337
141	P	A	-2.1247
142	R	A	-3.1527
143	D	A	-3.1268
144	M	A	-2.5589
145	E	A	-3.5050
146	K	A	-3.6313
147	E	A	-2.7387
148	K	A	-1.6309
149	T	A	0.0000
150	M	A	-1.2808
151	L	A	0.0000
152	V	A	0.0000
153	L	A	0.0000
154	A	A	0.0000
155	L	A	0.6986
156	L	A	0.0000
157	L	A	0.0000
158	A	A	0.0000
159	K	A	-1.2681
160	K	A	-1.3068
161	V	A	0.0000
162	A	A	-1.0647
163	S	A	-1.1677
164	H	A	-1.5779
165	T	A	-1.0317
166	P	A	-1.0740
167	S	A	-1.0873
168	L	A	0.0000
169	L	A	-0.9973
170	R	A	-1.8083
171	D	A	-1.5644
172	V	A	0.0000
173	F	A	0.4296
174	H	A	-0.7939
175	T	A	0.0000
176	T	A	0.0000
177	V	A	0.6841
178	N	A	-1.1034
179	F	A	0.0000
180	I	A	-1.0249
181	N	A	-1.7777
182	Q	A	-2.3833
183	N	A	-2.3037
184	L	A	0.0000
185	R	A	-2.9361
186	T	A	-1.9096
187	Y	A	-1.7324
188	V	A	-1.6426
189	R	A	-2.7202
190	S	A	-2.0347
191	L	A	-1.4810
192	A	A	-1.6106
193	R	A	-2.8733
194	N	A	-2.5636
195	G	A	-1.5021
196	M	A	-1.0041
197	D	A	-1.9184