Project name: av final

Chain sequence(s)	A: GIINTLQKYYCRVRGGRCAVLSCLPKEEQIGKCSTRGRKCCRRKKEAAAKSLAVALARVAAYQEIKDSGLLGPGPGPSLSIRAHTVLEGEPGPGPGEWAGIAAGSAAAIGLGPGPGRNQLHALRFADIDTVGPGPGHKARKKGTSALLSAKKKRPSLSIRAHTVLEGEPKKHRDSVSFSRRNKKGYRDGAHAEHTAYAADRFRQVDGYYERDLSTGRRASTPKKERTEHKARKKGTSALLSAEAAAK
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                                          (00:08:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:38)

• Minimal score value: -4.5505
• Maximal score value: 2.6916
• Average score: -1.0502
• Total score value: -259.3926

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
1	G	A	1.0363
2	I	A	2.6916
3	I	A	2.4962
4	N	A	0.6870
5	T	A	1.0937
6	L	A	1.5712
7	Q	A	0.1707
8	K	A	-1.7203
9	Y	A	0.3753
10	Y	A	0.3018
11	C	A	0.0000
12	R	A	-1.8703
13	V	A	0.2467
14	R	A	-1.1971
15	G	A	-1.5841
16	G	A	-2.6843
17	R	A	-2.7544
18	C	A	-1.3698
19	A	A	0.3981
20	V	A	1.8691
21	L	A	1.8008
22	S	A	0.7764
23	C	A	-0.3789
24	L	A	-0.2026
25	P	A	-1.1804
26	K	A	-3.1704
27	E	A	-3.0822
28	E	A	-3.1746
29	Q	A	-2.3243
30	I	A	-0.9034
31	G	A	-1.2383
32	K	A	-2.1557
33	C	A	0.0000
34	S	A	-1.6024
35	T	A	-1.4928
36	R	A	-2.0161
37	G	A	-0.9036
38	R	A	-1.2939
39	K	A	-1.5011
40	C	A	0.0000
41	C	A	0.0000
42	R	A	-3.8553
43	R	A	-4.3335
44	K	A	-4.1741
45	K	A	-3.8562
46	E	A	-3.2691
47	A	A	-2.7393
48	A	A	-1.7783
49	A	A	-1.2110
50	K	A	-1.4082
51	S	A	-0.5969
52	L	A	0.7484
53	A	A	0.0526
54	V	A	0.0309
55	A	A	0.2701
56	L	A	-0.0974
57	A	A	0.4486
58	R	A	0.0000
59	V	A	0.0000
60	A	A	-0.7154
61	A	A	0.0000
62	Y	A	0.0000
63	Q	A	0.0000
64	E	A	-2.4351
65	I	A	0.0000
66	K	A	-1.7227
67	D	A	-2.7334
68	S	A	-1.6832
69	G	A	-0.9665
70	L	A	-1.0229
71	L	A	0.0000
72	G	A	0.0000
73	P	A	-0.8233
74	G	A	-0.8208
75	P	A	-1.1661
76	G	A	-0.5585
77	P	A	-0.5597
78	S	A	-0.2231
79	L	A	-0.2291
80	S	A	0.0000
81	I	A	0.3415
82	R	A	-0.0916
83	A	A	0.0000
84	H	A	0.0000
85	T	A	0.4890
86	V	A	1.2348
87	L	A	0.3322
88	E	A	-0.5720
89	G	A	-0.8104
90	E	A	-1.2924
91	P	A	-1.1895
92	G	A	-1.3755
93	P	A	-0.8969
94	G	A	-0.7995
95	P	A	-0.8287
96	G	A	-1.0556
97	E	A	-1.2994
98	W	A	-0.4358
99	A	A	-0.5141
100	G	A	-0.6148
101	I	A	0.0000
102	A	A	-0.1021
103	A	A	-0.5565
104	G	A	-0.2131
105	S	A	0.0000
106	A	A	0.0000
107	A	A	-1.2361
108	A	A	0.0000
109	I	A	0.0000
110	G	A	0.0000
111	L	A	0.0000
112	G	A	0.0000
113	P	A	-0.9907
114	G	A	-1.1131
115	P	A	-0.9845
116	G	A	0.0000
117	R	A	-2.0597
118	N	A	0.0000
119	Q	A	0.0000
120	L	A	-1.0280
121	H	A	-1.0440
122	A	A	0.0000
123	L	A	-1.0084
124	R	A	-1.5534
125	F	A	-0.1953
126	A	A	-0.0636
127	D	A	-0.1903
128	I	A	0.4376
129	D	A	-0.0254
130	T	A	0.5625
131	V	A	1.1163
132	G	A	-0.0345
133	P	A	-0.8342
134	G	A	-1.0566
135	P	A	-1.4719
136	G	A	-1.6742
137	H	A	-2.3657
138	K	A	-3.7398
139	A	A	-3.3039
140	R	A	-3.8546
141	K	A	-3.9961
142	K	A	-3.4057
143	G	A	0.0000
144	T	A	-1.3982
145	S	A	-0.8630
146	A	A	0.0000
147	L	A	0.1997
148	L	A	0.9806
149	S	A	0.0000
150	A	A	0.0000
151	K	A	-1.5773
152	K	A	-2.3340
153	K	A	-2.3401
154	R	A	0.0000
155	P	A	-0.6807
156	S	A	0.0242
157	L	A	0.8806
158	S	A	0.0000
159	I	A	0.4754
160	R	A	0.0000
161	A	A	-1.1694
162	H	A	-1.3236
163	T	A	-0.0745
164	V	A	1.1712
165	L	A	-0.4347
166	E	A	-1.6094
167	G	A	-1.8182
168	E	A	-2.3897
169	P	A	-2.7150
170	K	A	-3.5605
171	K	A	-3.6816
172	H	A	-3.4327
173	R	A	-3.6527
174	D	A	-3.0399
175	S	A	-1.5020
176	V	A	0.0000
177	S	A	0.0000
178	F	A	0.0000
179	S	A	0.0000
180	R	A	-2.0232
181	R	A	-2.8404
182	N	A	-2.5792
183	K	A	-2.5896
184	K	A	-3.0737
185	G	A	-2.7455
186	Y	A	0.0000
187	R	A	-3.9091
188	D	A	-3.3219
189	G	A	0.0000
190	A	A	0.0000
191	H	A	-2.4047
192	A	A	-1.4841
193	E	A	0.0000
194	H	A	-0.7260
195	T	A	-0.7428
196	A	A	0.0000
197	Y	A	0.0000
198	A	A	-0.4642
199	A	A	-0.6637
200	D	A	0.0000
201	R	A	-1.3545
202	F	A	-0.7661
203	R	A	-0.8006
204	Q	A	-1.6078
205	V	A	0.0000
206	D	A	-2.0547
207	G	A	-0.9990
208	Y	A	-0.5951
209	Y	A	-0.6168
210	E	A	-2.1252
211	R	A	-3.1900
212	D	A	-2.2751
213	L	A	-0.2183
214	S	A	-0.3524
215	T	A	-1.1439
216	G	A	-1.8106
217	R	A	-3.4620
218	R	A	-3.4522
219	A	A	-2.3921
220	S	A	-1.4455
221	T	A	-0.9993
222	P	A	-2.2549
223	K	A	-3.7324
224	K	A	-4.0525
225	E	A	-4.5505
226	R	A	-4.2274
227	T	A	-3.3476
228	E	A	-3.8098
229	H	A	-3.5609
230	K	A	-3.2092
231	A	A	0.0000
232	R	A	-3.5068
233	K	A	-3.3499
234	K	A	-2.4534
235	G	A	-1.1606
236	T	A	-0.1051
237	S	A	-0.7756
238	A	A	-1.0153
239	L	A	0.6393
240	L	A	0.1288
241	S	A	-0.3180
242	A	A	-0.2965
243	E	A	-1.2695
244	A	A	0.0000
245	A	A	-0.9714
246	A	A	-1.2767
247	K	A	-2.7436