Project name: fga

Chain sequence(s)	E: SVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS; G: DFLAEGGGVR; F: DFLAEGGGVR; I: DFLAEGGGVR; H: IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTT; K: IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS; J: TFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGR; M: TFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGR; L: TFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGR; N: IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS
Selected Chain(s)	E,G,F,I,H,K,J,M,L,N
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                                          (00:18:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:35)

• Minimal score value: -3.6253
• Maximal score value: 1.3542
• Average score: -0.7459
• Total score value: -682.4904

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
1H	T	L	0.1186
1G	F	L	1.1870
1F	G	L	0.0107
1E	A	L	-0.6310
1D	G	L	-1.1964
1C	E	L	-2.4522
1B	A	L	-1.5515
1A	D	L	-2.0181
1	C	L	0.0000
2	G	L	0.0000
3	L	L	-0.9777
4	R	L	0.0000
5	P	L	-1.3256
6	L	L	-0.9103
7	F	L	0.0000
8	E	L	0.0000
9	K	L	-2.9253
10	K	L	-2.7505
11	Q	L	-2.1315
12	V	L	-0.7769
13	Q	L	-1.6402
14	D	L	0.0000
14A	Q	L	-1.8821
14B	T	L	-1.4486
14C	E	L	0.0000
14D	K	L	-2.5709
14E	E	L	-1.9157
14F	L	L	0.0000
14G	F	L	-0.5106
14H	E	L	-1.7321
14I	S	L	-1.1993
14J	Y	L	0.0000
14K	I	L	0.3687
14L	E	L	-1.7956
14M	G	L	-1.7567
15	R	L	-2.5089
16	I	H	0.0000
17	V	H	0.0000
18	E	H	-2.6986
19	G	H	-1.9143
20	Q	H	-2.1766
21	D	H	-2.1986
22	A	H	0.0000
23	E	H	-1.1550
24	V	H	0.3984
25	G	H	0.0788
26	L	H	0.0000
27	S	H	0.0756
28	P	H	0.0000
29	W	H	0.0000
30	Q	H	0.0000
31	V	H	0.0000
32	M	H	0.0000
33	L	H	0.0000
34	F	H	-0.6608
35	R	H	-1.9605
36	K	H	-2.1762
36A	S	H	-1.9146
37	P	H	-1.6311
38	Q	H	-2.3776
39	E	H	-1.9645
40	L	H	-0.6074
41	L	H	-0.1435
42	C	H	0.0000
43	G	H	0.0000
44	A	H	0.0000
45	S	H	0.0000
46	L	H	0.0000
47	I	H	-0.2341
48	S	H	-0.7404
49	D	H	-1.4086
50	R	H	-1.9793
51	W	H	0.0000
52	V	H	0.0000
53	L	H	0.0000
54	T	H	0.0000
55	A	H	0.0000
56	A	H	0.0000
57	H	H	0.0000
58	C	H	0.0000
59	L	H	0.0000
60	L	H	-0.5491
60A	Y	H	0.0000
60B	P	H	-1.3015
60C	P	H	-0.6653
60D	W	H	-0.7090
60E	D	H	-2.1875
60F	K	H	-2.0066
60G	N	H	-1.9175
60H	F	H	-1.2266
60I	T	H	-1.0630
61	V	H	-1.1482
62	D	H	-2.3446
63	D	H	-2.0586
64	L	H	0.0000
65	L	H	-0.0982
66	V	H	0.0000
67	R	H	0.3720
68	I	H	0.0000
69	G	H	-0.0890
70	K	H	0.0000
71	H	H	-0.2991
72	S	H	0.0000
73	R	H	-0.3712
74	T	H	-0.4704
75	R	H	-1.6312
76	Y	H	-0.3824
77	E	H	0.0000
77A	R	H	-2.5291
78	K	H	-2.3573
79	V	H	-1.1713
80	E	H	0.0000
81	K	H	-0.5491
82	I	H	1.0046
83	S	H	-0.0939
84	M	H	-0.8809
85	L	H	0.0000
86	D	H	-2.3613
87	K	H	-1.7678
88	I	H	-0.1412
89	Y	H	0.2565
90	I	H	0.2902
91	H	H	-0.6808
92	P	H	-1.1294
93	R	H	-2.1101
94	Y	H	0.0000
95	N	H	-1.8241
96	W	H	-1.6345
97	K	H	-2.9979
97A	E	H	-3.6253
98	N	H	0.0000
99	L	H	0.0000
100	D	H	-1.7374
101	R	H	-1.3950
102	D	H	0.0000
103	I	H	0.0000
104	A	H	0.0000
105	L	H	0.0000
106	L	H	0.0000
107	K	H	-1.5036
108	L	H	0.0000
109	K	H	-2.7563
110	R	H	-3.0257
111	P	H	-1.9950
112	I	H	-1.5041
113	E	H	-1.8860
114	L	H	-0.5351
115	S	H	-0.6335
116	D	H	-1.0379
117	Y	H	-0.0234
118	I	H	0.0000
119	H	H	0.0000
120	P	H	0.0000
121	V	H	0.0000
122	C	H	0.0000
123	L	H	0.3931
124	P	H	0.0000
125	D	H	0.0000
126	K	H	-2.1264
127	Q	H	-1.9094
128	T	H	0.0000
129	A	H	0.0000
129A	A	H	-1.3134
129B	K	H	-2.0302
129C	L	H	0.0000
130	L	H	-0.4432
131	H	H	-1.0963
132	A	H	-0.8735
133	G	H	-0.8322
134	F	H	0.0000
135	K	H	-0.4961
136	G	H	0.0000
137	R	H	0.0000
138	V	H	0.0000
139	T	H	0.0000
140	G	H	0.0000
141	W	H	0.0000
142	G	H	0.0000
143	N	H	0.0000
144	R	H	-2.0570
145	R	H	-1.6965
146	E	H	0.0000
147	T	H	0.2281
148	W	H	1.2181
149	T	H	0.2923
149A	T	H	-0.2101
149B	S	E	0.2585
149C	V	E	1.1581
149D	A	E	-0.1352
149E	E	E	-1.7721
150	V	E	0.0000
151	Q	E	-0.9319
152	P	E	0.0000
153	S	E	-0.3082
154	V	E	-0.3239
155	L	E	0.0000
156	Q	E	0.0000
157	V	E	0.0000
158	V	E	0.0000
159	N	E	0.0000
160	L	E	0.0000
161	P	E	0.0000
162	L	E	0.0000
163	V	E	-0.2683
164	E	E	-1.0156
165	R	E	-1.4126
166	P	E	-1.0633
167	V	E	-0.6745
168	C	E	0.0000
169	K	E	-2.3664
170	A	E	-1.0578
171	S	E	-0.9872
172	T	E	-1.8705
173	R	E	-2.8450
174	I	E	0.0000
175	R	E	-2.9683
176	I	E	-1.9501
177	T	E	-1.5611
178	D	E	-2.1480
179	N	E	0.0000
180	M	E	0.0000
181	F	E	0.0000
182	C	E	0.0000
183	A	E	0.0000
184	G	E	0.0000
184A	Y	E	-1.2654
185	K	E	0.0000
186	P	E	-1.5847
186A	G	E	-1.8272
186B	E	E	-2.3208
186C	G	E	-2.3813
186D	K	E	-2.6820
187	R	E	-2.4119
188	G	E	0.0000
189	D	E	0.0000
190	A	E	0.0000
191	C	E	0.0000
192	E	E	-0.9085
193	G	E	-0.4320
194	D	E	0.0000
195	S	E	0.0000
196	G	E	0.0000
197	G	E	0.0000
198	P	E	0.0000
199	F	E	0.0000
200	V	E	0.0000
201	M	E	0.0000
202	K	E	0.0000
203	S	E	0.0000
204	P	E	0.2314
204A	Y	E	0.2799
204B	N	E	-1.0168
205	N	E	-0.9667
206	R	E	0.0000
207	W	E	0.0000
208	Y	E	0.0000
209	Q	E	0.0000
210	M	E	0.0000
211	G	E	0.0000
212	I	E	0.0000
213	V	E	0.0000
214	S	E	0.0000
215	W	E	0.0000
216	G	E	0.0000
217	E	E	-0.7628
219	G	E	-0.7446
220	C	E	0.0000
221	D	E	-1.4239
221A	R	E	-1.4594
222	D	E	-1.5340
223	G	E	-0.8732
224	K	E	-1.0589
225	Y	E	0.0000
226	G	E	0.0000
227	F	E	0.0000
228	Y	E	0.0000
229	T	E	0.0000
230	H	E	-0.9295
231	V	E	0.0000
232	F	E	-1.0105
233	R	E	-2.2967
234	L	E	0.0000
235	K	E	-1.5231
236	K	E	-2.3578
237	W	E	-1.3608
238	I	E	0.0000
239	Q	E	-1.7305
240	K	E	-1.8387
241	V	E	0.0000
242	I	E	-1.0253
243	D	E	-2.4922
244	R	E	-2.1840
245	L	E	-0.3168
246	G	E	-1.3867
247	S	E	-1.5940
309	D	F	-3.1387
310	F	F	0.0000
311	L	F	-0.9193
312	A	F	-1.0444
313	E	F	-2.1104
314	G	F	-1.3081
315	G	F	0.0000
316	G	F	-0.3258
317	V	F	-0.0387
318	R	F	-0.4080
1H	T	J	0.1622
1G	F	J	1.2105
1F	G	J	0.2543
1E	A	J	-0.3994
1D	G	J	-0.8601
1C	E	J	-1.3954
1B	A	J	-1.1059
1A	D	J	-1.9491
1	C	J	0.0000
2	G	J	0.0000
3	L	J	-1.5125
4	R	J	0.0000
5	P	J	-1.4584
6	L	J	-0.8329
7	F	J	0.0000
8	E	J	-2.1205
9	K	J	-3.0609
10	K	J	-2.8456
11	Q	J	-2.2682
12	V	J	-0.9511
13	Q	J	-1.6536
14	D	J	0.0000
14A	Q	J	-1.8774
14B	T	J	-1.4693
14C	E	J	0.0000
14D	K	J	-2.6290
14E	E	J	-2.2036
14F	L	J	0.0000
14G	F	J	-1.0331
14H	E	J	-1.9772
14I	S	J	-1.4631
14J	Y	J	0.0000
14K	I	J	0.0439
14L	E	J	-1.9868
14M	G	J	-1.6576
15	R	J	-1.8973
16	I	K	0.0000
17	V	K	0.0000
18	E	K	-2.9714
19	G	K	-2.0934
20	Q	K	-2.6135
21	D	K	-2.3352
22	A	K	0.0000
23	E	K	-0.7176
24	V	K	0.9879
25	G	K	0.4288
26	L	K	0.0000
27	S	K	0.1979
28	P	K	0.0000
29	W	K	0.0000
30	Q	K	0.0000
31	V	K	0.0000
32	M	K	0.0000
33	L	K	0.0000
34	F	K	-0.7887
35	R	K	-2.1029
36	K	K	-2.8194
36A	S	K	-2.2607
37	P	K	-2.3412
38	Q	K	-2.5298
39	E	K	-2.3044
40	L	K	-0.8212
41	L	K	-0.2556
42	C	K	0.0000
43	G	K	0.0000
44	A	K	0.0000
45	S	K	0.0000
46	L	K	0.0000
47	I	K	0.0000
48	S	K	0.0000
49	D	K	-1.4699
50	R	K	-2.1832
51	W	K	0.0000
52	V	K	0.0000
53	L	K	0.0000
54	T	K	0.0000
55	A	K	0.0000
56	A	K	0.0000
57	H	K	0.0000
58	C	K	0.0000
59	L	K	0.0000
60	L	K	-0.4640
60A	Y	K	0.0000
60B	P	K	-1.1513
60C	P	K	-0.6095
60D	W	K	-1.2016
60E	D	K	-2.3128
60F	K	K	-1.7760
60G	N	K	-1.8666
60H	F	K	0.0000
60I	T	K	-0.9674
61	V	K	-0.9479
62	D	K	-2.1216
63	D	K	-1.7015
64	L	K	0.0000
65	L	K	0.0000
66	V	K	0.0000
67	R	K	0.0000
68	I	K	0.0000
69	G	K	0.0000
70	K	K	0.0000
71	H	K	-0.1161
72	S	K	0.0000
73	R	K	-0.7182
74	T	K	-0.9980
75	R	K	-1.5967
76	Y	K	-0.3127
77	E	K	0.0000
77A	R	K	-2.5306
78	K	K	-2.3443
79	V	K	-1.0951
80	E	K	-0.6716
81	K	K	-0.4776
82	I	K	0.8292
83	S	K	0.0000
84	M	K	-0.5676
85	L	K	0.0000
86	D	K	-2.0589
87	K	K	-1.5373
88	I	K	-0.0193
89	Y	K	0.5038
90	I	K	0.4006
91	H	K	-0.6152
92	P	K	-1.0833
93	R	K	-2.0419
94	Y	K	-1.3985
95	N	K	-1.7147
96	W	K	-1.5298
97	K	K	-2.8703
97A	E	K	-3.6074
98	N	K	0.0000
99	L	K	0.0000
100	D	K	0.0000
101	R	K	-1.3798
102	D	K	0.0000
103	I	K	0.0000
104	A	K	0.0000
105	L	K	0.0000
106	L	K	0.0000
107	K	K	-1.4911
108	L	K	0.0000
109	K	K	-2.4001
110	R	K	-2.8544
111	P	K	-2.2311
112	I	K	0.0000
113	E	K	-1.9449
114	L	K	-0.4197
115	S	K	-0.5059
116	D	K	-0.7800
117	Y	K	0.1685
118	I	K	0.0000
119	H	K	0.0000
120	P	K	0.0000
121	V	K	0.0000
122	C	K	0.0000
123	L	K	0.0000
124	P	K	0.0000
125	D	K	-1.2137
126	K	K	-2.7605
127	Q	K	-2.5061
128	T	K	0.0000
129	A	K	0.0000
129A	A	K	-1.6733
129B	K	K	-1.9825
129C	L	K	0.0000
130	L	K	-0.3520
131	H	K	-0.9377
132	A	K	-0.5626
133	G	K	-0.7408
134	F	K	-0.7460
135	K	K	-0.5648
136	G	K	0.0000
137	R	K	0.0000
138	V	K	0.0000
139	T	K	0.0000
140	G	K	0.0000
141	W	K	0.0000
142	G	K	0.0000
143	N	K	0.0000
144	R	K	-2.5798
145	R	K	-3.1739
146	E	K	-2.4069
147	T	K	-1.1943
148	W	K	-1.0489
149	T	K	-0.7320
149A	T	K	-0.4186
149B	S	K	0.3281
149C	V	K	0.1840
149D	A	K	-0.3252
149E	E	K	-2.0819
150	V	K	0.0000
151	Q	K	-1.6794
152	P	K	-1.1755
153	S	K	-0.8346
154	V	K	-0.5648
155	L	K	0.0000
156	Q	K	0.0000
157	V	K	0.0000
158	V	K	0.0000
159	N	K	0.0000
160	L	K	0.0000
161	P	K	0.0000
162	L	K	0.0000
163	V	K	-0.3994
164	E	K	-1.0876
165	R	K	-1.4627
166	P	K	-1.1974
167	V	K	0.0000
168	C	K	0.0000
169	K	K	-2.3823
170	A	K	0.0000
171	S	K	-1.4168
172	T	K	0.0000
173	R	K	-2.6594
174	I	K	0.0000
175	R	K	-2.8319
176	I	K	-1.8490
177	T	K	-1.5452
178	D	K	-2.1934
179	N	K	0.0000
180	M	K	0.0000
181	F	K	0.0000
182	C	K	0.0000
183	A	K	0.0000
184	G	K	0.0000
184A	Y	K	-1.5058
185	K	K	-1.7861
186	P	K	-2.1157
186A	G	K	-2.3559
186B	E	K	-2.0759
186C	G	K	-2.0847
186D	K	K	-2.8935
187	R	K	-2.7706
188	G	K	0.0000
189	D	K	0.0000
190	A	K	0.0000
191	C	K	0.0000
192	E	K	-1.3883
193	G	K	-0.5481
194	D	K	0.0000
195	S	K	0.0000
196	G	K	0.0000
197	G	K	0.0000
198	P	K	0.0000
199	F	K	0.0000
200	V	K	0.0000
201	M	K	0.0000
202	K	K	0.0000
203	S	K	0.0000
204	P	K	-0.1235
204A	Y	K	0.1962
204B	N	K	-1.1332
205	N	K	-1.7440
206	R	K	-1.1298
207	W	K	0.0000
208	Y	K	0.0000
209	Q	K	0.0000
210	M	K	0.0000
211	G	K	0.0000
212	I	K	0.0000
213	V	K	0.0000
214	S	K	0.0000
215	W	K	0.0000
216	G	K	0.0000
217	E	K	-1.2970
219	G	K	-1.8237
220	C	K	0.0000
221	D	K	-2.4425
221A	R	K	-2.7664
222	D	K	-2.0478
223	G	K	-1.5178
224	K	K	-1.5507
225	Y	K	0.0000
226	G	K	0.0000
227	F	K	0.0000
228	Y	K	0.0000
229	T	K	0.0000
230	H	K	-0.9723
231	V	K	0.0000
232	F	K	-1.1687
233	R	K	-2.5826
234	L	K	0.0000
235	K	K	-1.5692
236	K	K	-2.3622
237	W	K	0.0000
238	I	K	0.0000
239	Q	K	-1.6753
240	K	K	-1.9669
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