Project name: bccfe8c207adde7

Chain sequence(s)	A: KLPNIVILATGGTIAGSAATGTQTTGYKAGALGVDTLINAVPEVKKLANVKGEQFSNMASENMTGDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVINDRIGSARYITKTNASTLDTFRANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLTSLPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKALEKGVVVMRSTRTGNGIVPPDEELPGLVSDSLNPAHARILLMLALTRTSDPKVIQEYFHTY; C: KLPNIVILATGGTIAGSAATGTQTTGYKAGALGVDTLINAVPEVKKLANVKGEQFSNMASENMTGDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVINDRIGSARYITKTNASTLDTFRANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLTSLPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKALEKGVVVMRSTRTGNGIVPPDEELPGLVSDSLNPAHARILLMLALTRTSDPKVIQEYFHTY
Selected Chain(s)	A,C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:50)

• Minimal score value: -3.6102
• Maximal score value: 1.6372
• Average score: -0.6676
• Total score value: -433.9146

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
3	K	A	-1.5110
4	L	A	-0.9646
5	P	A	-0.9152
6	N	A	-1.2162
7	I	A	0.0000
8	V	A	0.0000
9	I	A	0.0000
10	L	A	0.0000
11	A	A	0.0000
12	T	A	0.0000
13	G	A	0.0000
14	G	A	0.0000
15	T	A	0.0000
16	I	A	0.0000
17	A	A	0.0000
18	G	A	0.0000
19	S	A	-0.6086
20	A	A	-0.5888
21	A	A	-0.2687
22	T	A	-0.0123
23	G	A	0.2751
24	T	A	0.0488
25	Q	A	-0.5232
26	T	A	-0.2894
27	T	A	-0.7904
28	G	A	-1.6460
29	Y	A	-1.1737
30	K	A	-1.5733
31	A	A	-0.8453
32	G	A	-0.4866
33	A	A	-0.3368
34	L	A	-0.2483
35	G	A	-0.8460
36	V	A	0.0000
37	D	A	-2.4701
38	T	A	-1.3051
39	L	A	0.0000
40	I	A	0.0000
41	N	A	-2.2073
42	A	A	-1.1151
43	V	A	0.0000
44	P	A	-2.0429
45	E	A	-2.6569
46	V	A	0.0000
47	K	A	-3.0028
48	K	A	-2.7656
49	L	A	-1.5765
50	A	A	0.0000
51	N	A	-1.3466
52	V	A	-1.0329
53	K	A	-1.5258
54	G	A	-1.4707
55	E	A	-1.2893
56	Q	A	-1.1373
57	F	A	-0.4125
58	S	A	-0.3319
59	N	A	-0.5490
60	M	A	-0.4093
61	A	A	-0.5515
62	S	A	0.0000
63	E	A	-0.3321
64	N	A	-0.3560
65	M	A	0.0000
66	T	A	-0.8018
67	G	A	0.0000
68	D	A	-2.1037
69	V	A	-1.1945
70	V	A	0.0000
71	L	A	0.0000
72	K	A	-2.3854
73	L	A	0.0000
74	S	A	0.0000
75	Q	A	-2.0606
76	R	A	-1.6004
77	V	A	0.0000
78	N	A	-2.0080
79	E	A	-2.4859
80	L	A	0.0000
81	L	A	0.0000
82	A	A	-2.1603
83	R	A	-3.3318
84	D	A	-3.2233
85	D	A	-2.5700
86	V	A	0.0000
87	D	A	-2.2110
88	G	A	0.0000
89	V	A	0.0000
90	V	A	0.0000
91	I	A	0.0000
92	T	A	0.0000
93	H	A	0.0000
94	G	A	0.0000
95	T	A	0.0000
96	D	A	-0.3200
97	T	A	0.0000
98	V	A	0.0000
99	E	A	0.0000
100	E	A	0.0000
101	S	A	0.0000
102	A	A	0.0000
103	Y	A	0.0000
104	F	A	0.0000
105	L	A	0.0000
106	H	A	0.0000
107	L	A	0.0000
108	T	A	0.0000
109	V	A	0.0000
110	K	A	-1.6087
111	S	A	-1.8240
112	D	A	-3.0470
113	K	A	-2.4555
114	P	A	0.0000
115	V	A	0.0000
116	V	A	0.0000
117	F	A	0.0000
118	V	A	0.0000
119	A	A	0.0000
120	A	A	0.0000
121	M	A	-0.3607
122	R	A	-0.2793
123	P	A	0.0000
124	A	A	0.1777
125	T	A	0.1922
126	A	A	0.0000
127	I	A	1.6372
128	S	A	0.5995
129	A	A	0.4304
130	D	A	0.1508
131	G	A	0.0000
132	P	A	0.3589
133	M	A	0.7806
134	N	A	0.0000
135	L	A	0.0000
136	L	A	-0.2262
137	E	A	-0.4682
138	A	A	0.0000
139	V	A	0.0000
140	R	A	-1.1220
141	V	A	0.0000
142	A	A	0.0000
143	G	A	-1.2201
144	D	A	-1.8761
145	K	A	-2.9010
146	Q	A	-2.4392
147	S	A	0.0000
148	R	A	-3.5877
149	G	A	-2.5082
150	R	A	-1.9887
151	G	A	-1.3210
152	V	A	0.0000
153	M	A	0.0000
154	V	A	0.0000
155	V	A	0.0000
156	I	A	0.0000
157	N	A	-1.1151
158	D	A	-1.1277
159	R	A	-1.0462
160	I	A	0.0000
161	G	A	0.0000
162	S	A	0.0000
163	A	A	0.0000
164	R	A	0.0000
165	Y	A	-0.5735
166	I	A	0.0000
167	T	A	-0.3633
168	K	A	0.0000
169	T	A	0.0000
170	N	A	0.0000
171	A	A	0.0000
172	S	A	-0.0785
173	T	A	-0.2706
174	L	A	-0.5264
175	D	A	-1.5838
176	T	A	0.0000
177	F	A	0.0000
178	R	A	-1.5339
179	A	A	0.0000
180	N	A	-2.6077
181	E	A	-2.9189
182	E	A	-2.1714
183	G	A	-1.7880
184	Y	A	-1.2267
185	L	A	0.0000
186	G	A	0.0000
187	V	A	-0.1972
188	I	A	0.0000
189	I	A	0.6678
190	G	A	-0.7585
191	N	A	-1.8646
192	R	A	-1.8846
193	I	A	0.0000
194	Y	A	0.0018
195	Y	A	-0.8406
196	Q	A	-1.6889
197	N	A	-2.5604
198	R	A	-3.0356
199	I	A	0.0000
200	D	A	-2.4178
201	K	A	-1.4830
202	L	A	-0.4023
203	H	A	-0.8695
204	T	A	0.0000
205	T	A	-1.4376
206	R	A	-1.8320
207	S	A	-0.6022
208	V	A	0.0271
209	F	A	0.0000
210	D	A	-1.3944
211	V	A	0.0000
212	R	A	-2.4461
213	G	A	-1.3868
214	L	A	-1.0017
215	T	A	-0.9126
216	S	A	-0.8605
217	L	A	-0.5143
218	P	A	-0.8520
219	K	A	-1.8018
220	V	A	0.0000
221	D	A	0.0000
222	I	A	0.0000
223	L	A	0.0000
224	Y	A	0.1216
225	G	A	0.0000
226	Y	A	0.0000
227	Q	A	0.0000
228	D	A	-1.0239
229	D	A	0.0000
230	P	A	-0.9313
231	E	A	-1.3409
232	Y	A	-0.8377
233	L	A	0.0000
234	Y	A	0.0000
235	D	A	-1.2361
236	A	A	-0.9917
237	A	A	0.0000
238	I	A	-1.4318
239	Q	A	-1.8877
240	H	A	-1.6998
241	G	A	-1.7120
242	V	A	0.0000
243	K	A	-1.5480
244	G	A	0.0000
245	I	A	0.0000
246	V	A	0.0000
247	Y	A	0.0000
248	A	A	0.0000
249	G	A	0.0000
250	M	A	0.0000
251	G	A	0.0000
252	A	A	0.0019
253	G	A	0.0000
254	S	A	-0.1125
255	V	A	0.0000
256	S	A	0.0000
257	V	A	1.4316
258	R	A	0.1151
259	G	A	0.0000
260	I	A	0.3555
261	A	A	-0.4228
262	G	A	0.0000
263	M	A	0.0000
264	R	A	-2.4195
265	K	A	-2.5697
266	A	A	0.0000
267	L	A	-1.9102
268	E	A	-3.1914
269	K	A	-3.2513
270	G	A	-1.8570
271	V	A	0.0000
272	V	A	0.0000
273	V	A	0.0000
274	M	A	0.0000
275	R	A	0.0000
276	S	A	0.0000
277	T	A	0.0000
278	R	A	-0.4060
279	T	A	-0.4355
280	G	A	-0.7509
281	N	A	-0.9478
282	G	A	-0.2743
283	I	A	0.8500
284	V	A	0.0000
285	P	A	-0.0652
286	P	A	-1.0745
287	D	A	-2.0406
288	E	A	-2.9520
289	E	A	-2.8078
290	L	A	-1.5251
291	P	A	0.0000
292	G	A	-0.6520
293	L	A	-0.7074
294	V	A	0.0000
295	S	A	0.0000
296	D	A	-0.0892
297	S	A	-0.1065
298	L	A	0.0000
299	N	A	-0.2614
300	P	A	0.0000
301	A	A	0.0000
302	H	A	0.0000
303	A	A	0.0000
304	R	A	0.0000
305	I	A	0.0000
306	L	A	0.0000
307	L	A	0.0000
308	M	A	0.0000
309	L	A	0.0000
310	A	A	0.0000
311	L	A	-0.8510
312	T	A	-0.9152
313	R	A	-1.8169
314	T	A	-1.2296
315	S	A	-1.0807
316	D	A	-1.3035
317	P	A	-1.5168
318	K	A	-2.2695
319	V	A	-1.5709
320	I	A	0.0000
321	Q	A	-1.7668
322	E	A	-2.3580
323	Y	A	0.0000
324	F	A	0.0000
325	H	A	-1.1927
326	T	A	-0.9687
327	Y	A	0.0000
3	K	C	-1.6107
4	L	C	-1.2125
5	P	C	-1.2782
6	N	C	-1.9508
7	I	C	0.0000
8	V	C	0.0000
9	I	C	0.0000
10	L	C	0.0000
11	A	C	0.0000
12	T	C	0.0000
13	G	C	0.0000
14	G	C	0.0000
15	T	C	0.0000
16	I	C	0.0000
17	A	C	0.0000
18	G	C	0.0000
19	S	C	-0.6018
20	A	C	-0.5810
21	A	C	-0.2676
22	T	C	-0.0164
23	G	C	0.2670
24	T	C	0.0452
25	Q	C	-0.5248
26	T	C	-0.2875
27	T	C	-0.7797
28	G	C	-1.6358
29	Y	C	-1.1600
30	K	C	-1.5713
31	A	C	-0.7961
32	G	C	-0.4907
33	A	C	-0.3319
34	L	C	-0.2516
35	G	C	-0.8313
36	V	C	0.0000
37	D	C	-2.5491
38	T	C	-1.2900
39	L	C	0.0000
40	I	C	0.0000
41	N	C	-2.2539
42	A	C	-1.1262
43	V	C	0.0000
44	P	C	-2.1507
45	E	C	-2.7900
46	V	C	0.0000
47	K	C	-3.4214
48	K	C	-2.9455
49	L	C	-1.7390
50	A	C	0.0000
51	N	C	-2.1918
52	V	C	-1.7601
53	K	C	-2.4785
54	G	C	-1.7501
55	E	C	-1.3761
56	Q	C	-1.1035
57	F	C	-0.3839
58	S	C	-0.3351
59	N	C	-0.5577
60	M	C	-0.4197
61	A	C	-0.5562
62	S	C	0.0000
63	E	C	-0.3294
64	N	C	-0.3099
65	M	C	0.0000
66	T	C	-0.8266
67	G	C	0.0000
68	D	C	-2.1198
69	V	C	-1.2413
70	V	C	0.0000
71	L	C	0.0000
72	K	C	-2.3893
73	L	C	0.0000
74	S	C	0.0000
75	Q	C	-2.0612
76	R	C	-1.7375
77	V	C	0.0000
78	N	C	-1.9864
79	E	C	-2.6753
80	L	C	0.0000
81	L	C	0.0000
82	A	C	-2.2958
83	R	C	-3.6090
84	D	C	-3.5525
85	D	C	-3.1257
86	V	C	0.0000
87	D	C	-2.5967
88	G	C	0.0000
89	V	C	0.0000
90	V	C	0.0000
91	I	C	0.0000
92	T	C	0.0000
93	H	C	0.0000
94	G	C	0.0000
95	T	C	0.0000
96	D	C	-0.3170
97	T	C	0.0000
98	V	C	0.0000
99	E	C	0.0000
100	E	C	0.0000
101	S	C	0.0000
102	A	C	0.0000
103	Y	C	0.0000
104	F	C	0.0000
105	L	C	0.0000
106	H	C	0.0000
107	L	C	0.0000
108	T	C	0.0000
109	V	C	0.0000
110	K	C	-1.5587
111	S	C	-1.8227
112	D	C	-3.1054
113	K	C	-2.5173
114	P	C	0.0000
115	V	C	0.0000
116	V	C	0.0000
117	F	C	0.0000
118	V	C	0.0000
119	A	C	0.0000
120	A	C	0.0000
121	M	C	-0.3093
122	R	C	-0.2965
123	P	C	0.0000
124	A	C	0.1777
125	T	C	0.1911
126	A	C	0.5362
127	I	C	1.6358
128	S	C	0.5917
129	A	C	0.4165
130	D	C	0.1198
131	G	C	0.0000
132	P	C	0.0826
133	M	C	0.7291
134	N	C	0.0000
135	L	C	0.0000
136	L	C	-0.2754
137	E	C	-0.5450
138	A	C	0.0000
139	V	C	0.0000
140	R	C	-1.1096
141	V	C	0.0000
142	A	C	0.0000
143	G	C	-1.3601
144	D	C	-1.8725
145	K	C	-2.8987
146	Q	C	-2.4312
147	S	C	0.0000
148	R	C	-3.6102
149	G	C	-2.5354
150	R	C	-1.9994
151	G	C	-1.3210
152	V	C	0.0000
153	M	C	0.0000
154	V	C	0.0000
155	V	C	0.0000
156	I	C	0.0000
157	N	C	-1.1529
158	D	C	-1.3586
159	R	C	-1.2017
160	I	C	0.0000
161	G	C	0.0000
162	S	C	0.0000
163	A	C	0.0000
164	R	C	0.0000
165	Y	C	-0.8241
166	I	C	0.0000
167	T	C	-0.4953
168	K	C	0.0000
169	T	C	-0.8577
170	N	C	0.0000
171	A	C	0.0000
172	S	C	-0.0016
173	T	C	-0.1156
174	L	C	-0.3274
175	D	C	-1.1850
176	T	C	0.0000
177	F	C	0.0000
178	R	C	-2.0121
179	A	C	-2.0735
180	N	C	-2.7333
181	E	C	-3.2189
182	E	C	-2.8829
183	G	C	-2.1817
184	Y	C	-1.4778
185	L	C	0.0000
186	G	C	0.0000
187	V	C	-0.2952
188	I	C	0.0000
189	I	C	0.6112
190	G	C	-0.7883
191	N	C	-1.8962
192	R	C	-1.8816
193	I	C	0.0000
194	Y	C	0.0099
195	Y	C	-0.8495
196	Q	C	-1.6927
197	N	C	-2.6740
198	R	C	-3.0529
199	I	C	0.0000
200	D	C	-2.4240
201	K	C	-1.4753
202	L	C	-0.3764
203	H	C	-0.8342
204	T	C	0.0000
205	T	C	-1.3997
206	R	C	-1.7894
207	S	C	0.0000
208	V	C	0.0960
209	F	C	0.0000
210	D	C	-1.5195
211	V	C	0.0000
212	R	C	-2.7028
213	G	C	-1.3656
214	L	C	-0.9269
215	T	C	-0.8729
216	S	C	-0.8349
217	L	C	-0.5043
218	P	C	-0.8820
219	K	C	-1.8083
220	V	C	0.0000
221	D	C	0.0000
222	I	C	0.0000
223	L	C	0.0000
224	Y	C	0.1207
225	G	C	0.0000
226	Y	C	0.0000
227	Q	C	0.0000
228	D	C	-1.0468
229	D	C	0.0000
230	P	C	0.0000
231	E	C	-1.1050
232	Y	C	-0.7058
233	L	C	0.0000
234	Y	C	0.0000
235	D	C	-1.1310
236	A	C	-0.9302
237	A	C	0.0000
238	I	C	-1.4499
239	Q	C	-1.8865
240	H	C	-1.6944
241	G	C	-1.7146
242	V	C	0.0000
243	K	C	-1.5695
244	G	C	0.0000
245	I	C	0.0000
246	V	C	0.0000
247	Y	C	0.0000
248	A	C	0.0000
249	G	C	0.0000
250	M	C	0.0000
251	G	C	0.0000
252	A	C	0.0013
253	G	C	0.0000
254	S	C	-0.1182
255	V	C	0.0000
256	S	C	0.0000
257	V	C	1.2448
258	R	C	-0.2435
259	G	C	0.0000
260	I	C	0.2139
261	A	C	-0.4950
262	G	C	0.0000
263	M	C	0.0000
264	R	C	-2.5265
265	K	C	-2.5948
266	A	C	0.0000
267	L	C	-1.9293
268	E	C	-3.2146
269	K	C	-3.2698
270	G	C	-1.8456
271	V	C	0.0000
272	V	C	-0.5579
273	V	C	0.0000
274	M	C	0.0000
275	R	C	0.0000
276	S	C	0.0000
277	T	C	0.0000
278	R	C	-0.4007
279	T	C	-0.4238
280	G	C	-0.7204
281	N	C	-0.9548
282	G	C	-0.2608
283	I	C	0.8078
284	V	C	0.0000
285	P	C	-0.0930
286	P	C	-1.0945
287	D	C	-2.0738
288	E	C	-2.9682
289	E	C	-2.8131
290	L	C	-1.5377
291	P	C	0.0000
292	G	C	-0.6195
293	L	C	-0.4767
294	V	C	0.0000
295	S	C	0.0000
296	D	C	-0.3025
297	S	C	-0.1697
298	L	C	0.0000
299	N	C	-0.2643
300	P	C	0.0000
301	A	C	0.0000
302	H	C	0.0000
303	A	C	0.0000
304	R	C	0.0000
305	I	C	0.0000
306	L	C	0.0000
307	L	C	0.0000
308	M	C	0.0000
309	L	C	0.0000
310	A	C	0.0000
311	L	C	0.0000
312	T	C	-1.0035
313	R	C	-1.9357
314	T	C	-1.4164
315	S	C	-1.3290
316	D	C	-1.7252
317	P	C	-1.5818
318	K	C	-2.3146
319	V	C	-1.5533
320	I	C	0.0000
321	Q	C	-1.7508
322	E	C	-2.3236
323	Y	C	0.0000
324	F	C	0.0000
325	H	C	-1.1879
326	T	C	-0.9552
327	Y	C	0.0000