Project name: 4edu

Chain sequence(s)	A: DFHWEEYLKETGSISAPSECFRQSQIPPVNDFKVGMKLEARDPRNATSVCIATVIGITGARLRLRLDGSDNRNDFWRLVDSPDIQPVGTCEKEGDLLQPPLGYQMNTSSWPMFLLETLNGSEMASATLFKKEPPKPPLNNFKVGMKLEAIDKKNPYLICPATIGDVKGDEVHITFDGWSGAFDYWCKYDSRDIFPAGWCRLTGDVLQPPGT; T: VHHRRLLRKG
Selected Chain(s)	A,T
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 all 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                                          (00:02:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -3.941
• Maximal score value: 1.765
• Average score: -0.698
• Total score value: -152.8694

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
32	D	A	-1.8042
33	F	A	-1.2602
34	H	A	-2.1183
35	W	A	-1.7956
36	E	A	-3.1866
37	E	A	-3.8120
38	Y	A	-2.3153
39	L	A	-1.9881
40	K	A	-3.3612
41	E	A	-3.4235
42	T	A	-1.5715
43	G	A	-1.3835
44	S	A	-0.0440
45	I	A	1.1927
46	S	A	0.5132
47	A	A	0.0000
48	P	A	-0.7495
49	S	A	-1.1797
50	E	A	-2.3629
51	C	A	0.0000
52	F	A	0.0000
53	R	A	-1.7983
54	Q	A	0.0000
55	S	A	-0.6398
56	Q	A	-0.5188
57	I	A	1.7650
58	P	A	1.1112
59	P	A	0.5628
60	V	A	1.4730
61	N	A	-0.3632
62	D	A	-1.6687
63	F	A	0.0000
64	K	A	-1.5224
65	V	A	0.4682
66	G	A	-0.2450
67	M	A	-0.5128
68	K	A	0.0000
69	L	A	0.0000
70	E	A	0.0000
71	A	A	0.0000
72	R	A	-1.4505
73	D	A	0.0000
74	P	A	-1.3577
75	R	A	-2.0860
76	N	A	-1.1728
77	A	A	-0.9708
78	T	A	-0.5943
79	S	A	0.0000
80	V	A	-0.3512
81	C	A	0.0000
82	I	A	0.0000
83	A	A	0.0000
84	T	A	-0.2924
85	V	A	0.0000
86	I	A	0.4061
87	G	A	0.3908
88	I	A	0.3732
89	T	A	0.3990
90	G	A	0.1511
91	A	A	0.0000
92	R	A	0.0000
93	L	A	0.0000
94	R	A	-0.1802
95	L	A	0.0000
96	R	A	-1.4181
97	L	A	0.0000
98	D	A	-0.6836
99	G	A	-0.5583
100	S	A	-1.4961
101	D	A	-2.6338
102	N	A	-3.0168
103	R	A	-3.4643
104	N	A	-3.1522
105	D	A	-1.8873
106	F	A	0.0000
107	W	A	-0.2708
108	R	A	-0.6767
109	L	A	0.0000
110	V	A	0.0000
111	D	A	0.0000
112	S	A	-0.9544
113	P	A	-1.1125
114	D	A	-0.9466
115	I	A	0.0000
116	Q	A	-0.4688
117	P	A	0.0984
118	V	A	-0.3341
119	G	A	-1.5356
120	T	A	-1.8724
121	C	A	0.0000
122	E	A	-3.5621
123	K	A	-3.9410
124	E	A	-3.8434
125	G	A	-3.0517
126	D	A	-2.6719
127	L	A	-0.0165
128	L	A	-0.0219
129	Q	A	0.0194
130	P	A	0.2179
131	P	A	0.0000
132	L	A	0.6819
133	G	A	-0.8503
134	Y	A	-0.3949
135	Q	A	-1.2620
136	M	A	-0.7112
137	N	A	-1.3551
138	T	A	-0.8333
139	S	A	-0.4122
140	S	A	-0.1614
141	W	A	0.1727
142	P	A	0.4643
143	M	A	1.1046
144	F	A	0.6561
145	L	A	0.5241
146	L	A	0.7078
147	E	A	-1.1097
148	T	A	-0.5920
149	L	A	-0.6527
150	N	A	-1.7910
151	G	A	-1.6268
152	S	A	-1.5483
153	E	A	-1.8686
154	M	A	-0.3482
155	A	A	0.0000
156	S	A	-0.3238
157	A	A	0.0149
158	T	A	-0.4923
159	L	A	-0.4360
160	F	A	-0.6459
161	K	A	-1.3691
162	K	A	-2.3570
163	E	A	-1.9227
164	P	A	0.0000
165	P	A	-1.5244
166	K	A	-1.9792
167	P	A	-1.2232
168	P	A	-0.2555
169	L	A	0.1278
170	N	A	-1.7548
171	N	A	-1.7352
172	F	A	0.0000
173	K	A	-1.5789
174	V	A	-0.1271
175	G	A	0.1168
176	M	A	0.0000
177	K	A	0.0000
178	L	A	0.0000
179	E	A	0.0000
180	A	A	0.0000
181	I	A	0.0000
182	D	A	0.0000
183	K	A	-2.7134
184	K	A	-2.5328
185	N	A	-1.4759
186	P	A	-1.1554
187	Y	A	0.1529
188	L	A	0.0000
189	I	A	0.0000
190	C	A	0.0000
191	P	A	0.0000
192	A	A	0.0000
193	T	A	-0.1107
194	I	A	0.0000
195	G	A	-0.4809
196	D	A	-1.2757
197	V	A	-2.0807
198	K	A	-3.0849
199	G	A	-2.4289
200	D	A	-3.1918
201	E	A	-3.1608
202	V	A	0.0000
203	H	A	-0.7696
204	I	A	0.0000
205	T	A	-0.4023
206	F	A	0.0000
207	D	A	-0.4030
208	G	A	-0.1722
209	W	A	-0.1263
210	S	A	-0.4180
211	G	A	-0.5476
212	A	A	-0.3699
213	F	A	-0.7170
214	D	A	-0.7498
215	Y	A	0.0000
216	W	A	-0.2429
217	C	A	-1.1654
218	K	A	-2.7832
219	Y	A	0.0000
220	D	A	-1.8510
221	S	A	-1.4514
222	R	A	-1.2286
223	D	A	-1.8320
224	I	A	0.0000
225	F	A	0.0000
226	P	A	0.0000
227	A	A	-0.2517
228	G	A	-0.5301
229	W	A	0.0000
230	C	A	0.0000
231	R	A	-1.1550
232	L	A	0.3892
233	T	A	0.4416
234	G	A	-0.4190
235	D	A	0.3019
236	V	A	1.3342
237	L	A	0.6384
238	Q	A	0.2837
239	P	A	-0.1608
240	P	A	-0.0707
241	G	A	-0.0348
242	T	A	-0.0082
30	V	T	0.9051
31	H	T	-0.5335
32	R	T	-1.1582
33	L	T	0.4656
34	L	T	0.1657
35	R	T	-1.4339
36	K	T	-1.2006
37	G	T	-0.8674