Project name: ad835078a250ec9

Chain sequence(s)	A: ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGTDGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
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                                          (00:03:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:19)

• Minimal score value: -3.295
• Maximal score value: 1.457
• Average score: -0.6632
• Total score value: -157.1723

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	A	A	-0.4569
2	D	A	-1.0158
3	T	A	-0.5674
4	I	A	0.0000
5	V	A	0.0000
6	A	A	0.0000
7	V	A	0.0000
8	E	A	0.0000
9	L	A	0.0000
10	D	A	0.0000
11	T	A	0.0000
12	Y	A	-0.2412
13	P	A	-0.6004
14	N	A	-1.0969
15	T	A	-1.1624
16	D	A	-2.0181
17	I	A	0.0000
18	G	A	-1.5085
19	D	A	0.0000
20	P	A	-0.6332
21	S	A	-0.3183
22	Y	A	-0.2413
23	P	A	-0.6183
24	H	A	0.0000
25	I	A	0.0000
26	G	A	0.0000
27	I	A	0.0000
28	D	A	0.0000
29	I	A	0.0000
30	K	A	-1.7483
31	S	A	-1.7026
32	V	A	0.0000
33	R	A	-2.0611
34	S	A	-1.6692
35	K	A	-2.1746
36	K	A	-2.0174
37	T	A	-1.3098
38	A	A	-1.0712
39	K	A	-1.8013
40	W	A	0.0000
41	N	A	-2.0510
42	M	A	-1.3621
43	Q	A	-1.6630
44	N	A	-2.2639
45	G	A	-1.4643
46	K	A	-1.1840
47	V	A	0.0643
48	G	A	0.0000
49	T	A	0.0991
50	A	A	0.0000
51	H	A	-0.6432
52	I	A	0.0000
53	I	A	-0.1761
54	Y	A	0.0000
55	N	A	-0.9563
56	S	A	-0.2947
57	V	A	0.6234
58	D	A	-2.1513
59	K	A	-2.6862
60	R	A	-2.7743
61	L	A	0.0000
62	S	A	-0.6212
63	A	A	0.0000
64	V	A	0.4706
65	V	A	0.0000
66	S	A	-0.8302
67	Y	A	0.0000
68	P	A	-1.1504
69	N	A	-1.7616
70	A	A	-1.7969
71	D	A	-2.3174
72	S	A	-1.3712
73	A	A	-0.8464
74	T	A	-0.1599
75	V	A	0.0000
76	S	A	-0.9246
77	Y	A	-1.7884
78	D	A	-3.0818
79	V	A	-2.2555
80	D	A	-2.1816
81	L	A	0.0000
82	D	A	-2.4444
83	N	A	-2.1143
84	V	A	-1.2571
85	L	A	0.0000
86	P	A	-0.8798
87	E	A	-1.4586
88	W	A	0.0113
89	V	A	0.0000
90	R	A	0.0170
91	V	A	0.0000
92	G	A	0.0000
93	L	A	0.0000
94	S	A	0.0000
95	A	A	0.0000
96	S	A	0.0000
97	T	A	0.0000
98	G	A	0.2378
99	L	A	1.4570
100	Y	A	0.3290
101	K	A	-0.7319
102	E	A	0.0000
103	T	A	0.0000
104	N	A	0.0000
105	T	A	0.0000
106	I	A	0.0000
107	L	A	-0.3516
108	S	A	-0.5096
109	W	A	0.0000
110	S	A	-0.3173
111	F	A	0.0000
112	T	A	-0.9078
113	S	A	0.0000
114	K	A	-1.7058
115	L	A	0.0000
116	K	A	-1.7683
117	S	A	-1.5865
118	N	A	-1.6105
119	S	A	-1.5710
120	T	A	-1.4963
121	H	A	-2.2003
122	E	A	-2.7755
123	T	A	-2.3023
124	N	A	-2.1198
125	A	A	-1.3080
126	L	A	-0.6718
127	H	A	-0.9442
128	F	A	0.0000
129	M	A	0.3503
130	F	A	0.0000
131	N	A	-1.5658
132	Q	A	-2.0105
133	F	A	0.0000
134	S	A	-2.4106
135	K	A	-3.1298
136	D	A	-3.2950
137	Q	A	-2.3610
138	K	A	-2.3481
139	D	A	-0.9818
140	L	A	0.0000
141	I	A	0.8692
142	L	A	0.5744
143	Q	A	0.0531
144	G	A	-0.5766
145	D	A	-0.6881
146	A	A	-0.2380
147	T	A	-0.8142
148	T	A	0.0000
149	G	A	0.0000
150	T	A	-1.5545
151	D	A	-2.2709
152	G	A	-1.9740
153	N	A	-1.4962
154	L	A	0.0000
155	E	A	-0.5186
156	L	A	0.0000
157	T	A	0.0000
158	R	A	-1.1765
159	V	A	-0.7052
160	S	A	-0.8884
161	S	A	-0.9313
162	N	A	-1.4391
163	G	A	-1.0446
164	S	A	-1.0206
165	P	A	0.0000
166	Q	A	-1.1074
167	G	A	-0.2957
168	S	A	-0.2188
169	S	A	0.0000
170	V	A	-0.2697
171	G	A	0.0000
172	R	A	0.0000
173	A	A	0.0000
174	L	A	0.0000
175	F	A	0.0000
176	Y	A	1.0960
177	A	A	0.6934
178	P	A	0.1539
179	V	A	0.0000
180	H	A	-0.5928
181	I	A	-0.6510
182	W	A	-0.6251
183	E	A	-0.7980
184	S	A	-0.4290
185	S	A	-0.6167
186	A	A	-0.3717
187	V	A	1.3090
188	V	A	0.6800
189	A	A	0.0000
190	S	A	-0.6613
191	F	A	0.0000
192	E	A	-1.8477
193	A	A	0.0000
194	T	A	-0.3872
195	F	A	0.0000
196	T	A	0.0909
197	F	A	0.0000
198	L	A	-0.0566
199	I	A	0.0000
200	K	A	-1.6058
201	S	A	0.0000
202	P	A	-1.4291
203	D	A	-1.9524
204	S	A	-1.3727
205	H	A	-1.4985
206	P	A	0.0000
207	A	A	0.0000
208	D	A	0.0000
209	G	A	0.0000
210	I	A	0.0000
211	A	A	0.0000
212	F	A	0.0000
213	F	A	0.0000
214	I	A	0.0000
215	S	A	0.0000
216	N	A	-0.6119
217	I	A	-0.0463
218	D	A	-1.5788
219	S	A	0.0000
220	S	A	-0.5359
221	I	A	-0.0874
222	P	A	-0.4519
223	S	A	-0.6079
224	G	A	-0.7999
225	S	A	0.0000
226	T	A	-0.3711
227	G	A	-0.4739
228	R	A	-1.4707
229	L	A	0.0000
230	L	A	0.0000
231	G	A	0.0000
232	L	A	0.0000
233	F	A	0.0000
234	P	A	-1.2012
235	D	A	-2.0484
236	A	A	-1.9555
237	N	A	-2.0602