Project name: 8f71719f928f532

Chain sequence(s)	A: QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE
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                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -3.2071
• Maximal score value: 2.021
• Average score: -0.7956
• Total score value: -167.0659

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	Q	A	-1.4823
2	S	A	-0.3397
3	A	A	0.3001
4	L	A	0.0000
5	T	A	-0.2235
6	Q	A	0.0000
7	P	A	-0.4798
8	P	A	-0.6105
9	S	A	-0.5824
11	A	A	-0.3863
12	S	A	-0.5555
13	G	A	0.0000
14	S	A	-0.8109
15	P	A	-1.1507
16	G	A	-1.4559
17	Q	A	-1.7004
18	S	A	-1.0555
19	V	A	0.0000
20	T	A	-0.1909
21	I	A	0.0000
22	S	A	-0.2450
23	C	A	0.0000
24	T	A	-0.5018
25	G	A	-0.3764
26	T	A	-0.7581
27	S	A	-0.9706
28	S	A	-0.5877
29	D	A	-0.6513
30	V	A	0.0000
31	G	A	-1.5724
35	G	A	-1.3962
36	S	A	-1.5222
37	D	A	-2.5776
38	S	A	-1.3163
39	V	A	0.0000
40	S	A	0.0000
41	W	A	0.0000
42	Y	A	-0.0753
43	Q	A	0.0000
44	Q	A	-1.5511
45	H	A	-1.8926
46	P	A	-1.3766
47	G	A	-1.5342
48	K	A	-2.3571
49	A	A	-1.3546
50	P	A	-1.3385
51	K	A	-1.3215
52	L	A	0.0503
53	I	A	0.0000
54	I	A	0.0000
55	Y	A	-1.2519
56	E	A	-2.7103
57	V	A	0.0000
65	S	A	-1.7535
66	Q	A	-2.1172
67	R	A	-1.7527
68	P	A	-0.8188
69	S	A	-0.6593
70	G	A	-0.7838
71	V	A	-0.9053
72	P	A	-1.0848
74	N	A	-1.8090
75	R	A	-1.1179
76	F	A	0.0000
77	S	A	-0.9604
78	G	A	0.0000
79	S	A	-1.0619
80	K	A	-1.3855
83	S	A	-0.8966
84	G	A	-1.1993
85	N	A	-1.4271
86	T	A	-0.8467
87	A	A	0.0000
88	S	A	-0.3486
89	L	A	0.0000
90	T	A	-0.2969
91	V	A	0.0000
92	S	A	-1.1455
93	G	A	-1.2280
94	L	A	0.0000
95	Q	A	-1.8597
96	A	A	-1.4684
97	E	A	-2.2471
98	D	A	0.0000
99	D	A	-1.4873
100	A	A	0.0000
101	D	A	-1.0670
102	Y	A	0.0000
103	Y	A	0.3513
104	C	A	0.0000
105	S	A	0.0000
106	S	A	0.0000
107	Y	A	1.0044
115	N	A	-0.3702
116	L	A	1.2807
117	F	A	1.6204
118	F	A	2.0210
119	G	A	0.0000
120	G	A	-0.3987
121	G	A	-0.2652
122	T	A	0.0000
123	K	A	-0.8518
124	V	A	0.0000
125	T	A	0.0000
126	V	A	-0.7181
127	L	A	-0.3725
128	G	A	-0.6493
129	Q	A	-1.0006
130	P	A	-1.1035
131	K	A	-1.7706
132	A	A	-1.0798
133	A	A	-0.5533
134	P	A	-0.4115
135	S	A	-0.2028
136	V	A	0.0000
137	T	A	0.1684
138	L	A	0.0000
139	F	A	1.3702
140	P	A	0.5102
141	P	A	-0.4703
142	S	A	-1.1175
143	S	A	-1.7198
144	E	A	-2.9471
145	E	A	-2.7629
146	L	A	-2.3238
147	Q	A	-2.6323
148	A	A	-2.2627
149	N	A	-2.9766
150	K	A	-3.1780
151	A	A	0.0000
152	T	A	-0.4444
153	L	A	0.0000
154	V	A	1.0871
155	C	A	0.0000
156	L	A	0.9493
157	I	A	0.0000
158	S	A	-0.7352
159	D	A	-2.0201
160	F	A	0.0000
161	Y	A	0.0000
162	P	A	0.0000
163	G	A	-0.7120
164	A	A	-0.1413
165	V	A	0.0711
166	T	A	0.0939
167	V	A	0.0003
168	A	A	-0.3504
169	W	A	0.0000
170	K	A	-1.0607
171	A	A	-1.1111
172	D	A	-1.3558
173	S	A	-0.8484
174	S	A	-0.5296
175	P	A	-0.7474
176	V	A	-0.6073
177	K	A	-1.5889
178	A	A	-0.8469
179	G	A	-0.6590
180	V	A	-0.4778
181	E	A	-1.3894
182	T	A	-0.5111
183	T	A	-0.4943
184	T	A	-0.1312
185	P	A	-0.5861
186	S	A	-1.3462
187	K	A	-2.8591
188	Q	A	-2.7736
189	S	A	-2.1208
190	N	A	-2.7420
191	N	A	-3.0295
192	K	A	-2.7010
193	Y	A	-1.7541
194	A	A	-0.9480
195	A	A	0.0000
196	S	A	0.1053
197	S	A	0.0000
198	Y	A	0.3682
199	L	A	0.0000
200	S	A	-0.6820
201	L	A	0.0000
202	T	A	-2.0089
203	P	A	-2.6571
204	E	A	-3.2071
205	Q	A	-2.2470
206	W	A	0.0000
207	K	A	-3.0403
208	S	A	-2.3265
209	H	A	-2.3246
210	R	A	-2.4858
211	S	A	-1.4843
212	Y	A	0.0000
213	S	A	0.0000
214	C	A	0.0000
215	Q	A	-0.9294
216	V	A	0.0000
217	T	A	-0.3780
218	H	A	0.0000
219	E	A	-1.0685
220	G	A	-0.8759
221	S	A	-0.5114
222	T	A	-0.5005
223	V	A	-0.5695
224	E	A	-1.9849
225	K	A	-1.3404
226	T	A	-0.7134
227	V	A	-0.0886
228	A	A	-0.8601
229	P	A	-1.3285
230	T	A	-1.1849
231	E	A	-1.8670