Project name: DP43

Chain sequence(s)	A: AANPYQRGPAPTAASVAAVTGPFATASVSVPRGNGFGGGVIYYPTDTSQGTFGGLAISPGLNGTWPGIAWLGSRLASQGFIVFGIETNNLNDSPTSRGTQLLAALDYLAQRSSVRSRLDPGRLAVAGHSMGGGGALDAALRRPSLKAAIGNAPYLPSNTLAGNRVPTLIYAMQNDTLVPPSRLTSLYNTIPATTERAYLEITGAGHNYIGQPSTTLARTMIPWLKIFIDNDTRFSQFLCPLADQSGIRQYRSSCPLVPATTRALTAAAG
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -2.8324
• Maximal score value: 1.6677
• Average score: -0.385
• Total score value: -103.5706

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	-0.0224
2	A	A	-0.1545
3	N	A	-0.4576
4	P	A	-0.4864
5	Y	A	-0.3081
6	Q	A	-0.7902
7	R	A	0.0000
8	G	A	-0.4663
9	P	A	-0.4689
10	A	A	-0.2883
11	P	A	-0.3443
12	T	A	-0.2622
13	A	A	-0.2724
14	A	A	0.1878
15	S	A	0.0880
16	V	A	0.0000
17	A	A	0.3415
18	A	A	0.7717
19	V	A	1.6677
20	T	A	0.6881
21	G	A	0.1453
22	P	A	-0.3542
23	F	A	0.0000
24	A	A	-0.1729
25	T	A	-0.1285
26	A	A	0.1087
27	S	A	0.2095
28	V	A	0.4470
29	S	A	-0.0905
30	V	A	0.0000
31	P	A	-1.3837
32	R	A	-2.5758
33	G	A	-1.9707
34	N	A	-2.2089
35	G	A	-1.5632
36	F	A	0.0000
37	G	A	-1.7113
38	G	A	0.0000
39	G	A	-0.4197
40	V	A	0.3201
41	I	A	0.0000
42	Y	A	0.3022
43	Y	A	0.1061
44	P	A	0.0000
45	T	A	-0.4327
46	D	A	-1.0320
47	T	A	-0.9315
48	S	A	-0.8692
49	Q	A	-1.1391
50	G	A	-0.9570
51	T	A	-0.8518
52	F	A	0.0000
53	G	A	0.0000
54	G	A	0.0000
55	L	A	0.0000
56	A	A	0.0000
57	I	A	0.0000
58	S	A	0.0000
59	P	A	0.0000
60	G	A	0.0000
61	L	A	-0.0825
62	N	A	-1.1218
63	G	A	-0.7901
64	T	A	-0.5517
65	W	A	0.0000
66	P	A	-0.5126
67	G	A	-1.0047
68	I	A	0.0000
69	A	A	-0.3574
70	W	A	-0.1499
71	L	A	0.0000
72	G	A	0.0000
73	S	A	0.1780
74	R	A	0.0000
75	L	A	0.0000
76	A	A	0.0000
77	S	A	0.0000
78	Q	A	0.0000
79	G	A	0.0000
80	F	A	0.0000
81	I	A	0.0000
82	V	A	0.0000
83	F	A	0.0000
84	G	A	0.0000
85	I	A	0.0000
86	E	A	-0.9082
87	T	A	0.0000
88	N	A	-1.5761
89	N	A	-1.6665
90	L	A	-0.8588
91	N	A	-1.4439
92	D	A	0.0000
93	S	A	-0.3195
94	P	A	0.0000
95	T	A	-0.2005
96	S	A	-0.5380
97	R	A	0.0000
98	G	A	0.0000
99	T	A	-0.3959
100	Q	A	0.0000
101	L	A	0.0000
102	L	A	0.0000
103	A	A	-0.6056
104	A	A	0.0000
105	L	A	0.0000
106	D	A	-1.5388
107	Y	A	-1.6862
108	L	A	0.0000
109	A	A	-1.9806
110	Q	A	-2.5867
111	R	A	-2.8324
112	S	A	0.0000
113	S	A	-1.1899
114	V	A	0.0000
115	R	A	-2.6357
116	S	A	-1.6354
117	R	A	-1.2936
118	L	A	0.0000
119	D	A	-0.8902
120	P	A	-1.1477
121	G	A	-0.7404
122	R	A	0.0000
123	L	A	0.0000
124	A	A	0.0000
125	V	A	0.0000
126	A	A	0.0000
127	G	A	0.0000
128	H	A	0.0000
129	S	A	0.0000
130	M	A	0.1656
131	G	A	0.0000
132	G	A	0.0000
133	G	A	0.0000
134	G	A	0.0000
135	A	A	0.0000
136	L	A	0.0000
137	D	A	-0.5457
138	A	A	0.0000
139	A	A	0.0000
140	L	A	-0.9726
141	R	A	-1.8622
142	R	A	-1.4817
143	P	A	-1.3692
144	S	A	-1.0129
145	L	A	0.0000
146	K	A	-0.8720
147	A	A	0.0000
148	A	A	0.0000
149	I	A	0.0000
150	G	A	0.0000
151	N	A	0.0000
152	A	A	0.0000
153	P	A	0.0000
154	Y	A	0.5138
155	L	A	0.0000
156	P	A	-0.3171
157	S	A	-0.4262
158	N	A	-0.4999
159	T	A	-0.5333
160	L	A	0.0000
161	A	A	-0.5589
162	G	A	-1.0148
163	N	A	0.0000
164	R	A	-2.2741
165	V	A	0.0000
166	P	A	0.0000
167	T	A	0.0000
168	L	A	0.0000
169	I	A	0.0000
170	Y	A	0.0000
171	A	A	0.0000
172	M	A	0.0000
173	Q	A	-1.6567
174	N	A	-1.5498
175	D	A	0.0000
176	T	A	0.1916
177	L	A	1.1305
178	V	A	0.0000
179	P	A	-0.2785
180	P	A	-0.5311
181	S	A	-0.6143
182	R	A	-0.5823
183	L	A	0.0000
184	T	A	-0.8034
185	S	A	-0.8954
186	L	A	0.0000
187	Y	A	0.0000
188	N	A	-1.3719
189	T	A	-0.7765
190	I	A	0.0000
191	P	A	-0.7762
192	A	A	-0.4495
193	T	A	-0.5206
194	T	A	0.0000
195	E	A	-0.5637
196	R	A	-0.8709
197	A	A	0.0000
198	Y	A	0.0000
199	L	A	0.0000
200	E	A	0.0000
201	I	A	0.0000
202	T	A	-1.3828
203	G	A	-1.2882
204	A	A	0.0000
205	G	A	-1.1019
206	H	A	-0.8227
207	N	A	-1.4866
208	Y	A	-1.1482
209	I	A	0.0000
210	G	A	-1.5270
211	Q	A	-1.6961
212	P	A	-0.6187
213	S	A	0.0000
214	T	A	-0.0029
215	T	A	-0.4731
216	L	A	0.0000
217	A	A	0.0000
218	R	A	-0.1591
219	T	A	0.0000
220	M	A	0.0000
221	I	A	0.0000
222	P	A	0.0000
223	W	A	0.0000
224	L	A	0.0000
225	K	A	0.0000
226	I	A	0.0000
227	F	A	0.0000
228	I	A	0.0000
229	D	A	0.0000
230	N	A	-0.3356
231	D	A	0.0000
232	T	A	-0.5841
233	R	A	-0.8928
234	F	A	0.0000
235	S	A	-0.7195
236	Q	A	-1.3377
237	F	A	0.0000
238	L	A	0.0000
239	C	A	-0.3406
240	P	A	-0.6405
241	L	A	-0.6689
242	A	A	-0.9195
243	D	A	-1.5836
244	Q	A	-2.0288
245	S	A	-1.3680
246	G	A	-1.2620
247	I	A	-1.5084
248	R	A	-2.1782
249	Q	A	-1.4808
250	Y	A	-0.8717
251	R	A	-0.9839
252	S	A	-0.5636
253	S	A	-0.2759
254	C	A	-0.0411
255	P	A	-0.1600
256	L	A	0.0000
257	V	A	0.1568
258	P	A	0.0000
259	A	A	0.0109
260	T	A	0.1890
261	T	A	0.3011
262	R	A	0.0279
263	A	A	0.5287
264	L	A	1.3223
265	T	A	0.4354
266	A	A	0.2572
267	A	A	0.4122
268	A	A	0.2089
269	G	A	-0.1947