Project name: GLY_284_REF

Chain sequence(s)	A: LCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFEL; H: QVQLQESGPGLVKPSETLSLTCAVSGDSISSNYWSWIRQPPGKGLEWIGRFSGSGGSTDFNPSLKSRVTISTDTSKNQFSLNLRSVTAADTAVYYCAKTYGGTFDYWGQGVLVT; L: DIQMTQSPSSLSASVGDRVTITCRASQDINNYLSWYQQKPGKAPKPLIYYASSLETGVPSRFSGSRSGTDYTLTISSLQLEDFATYYCQQYNNSPYSFGQGTKVEI
Selected Chain(s)	A,H,L
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                                          (00:02:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:34)

• Minimal score value: -2.9747
• Maximal score value: 1.6587
• Average score: -0.4895
• Total score value: -197.2508

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	L	A	1.3614
2	C	A	0.2950
3	P	A	-0.6260
4	F	A	0.0000
5	G	A	-1.4739
6	E	A	-2.3323
7	V	A	0.0000
8	F	A	0.0000
9	N	A	-2.0095
10	A	A	-1.2717
11	T	A	-0.8579
12	R	A	-1.1273
13	F	A	0.0000
14	A	A	0.0000
15	S	A	0.0000
16	V	A	0.0000
17	Y	A	0.0000
18	A	A	0.0000
19	W	A	0.0000
20	N	A	0.0000
21	R	A	-2.2046
22	K	A	-2.4557
23	R	A	-2.5467
24	I	A	-1.2645
25	S	A	-0.7652
26	N	A	-0.8770
27	C	A	-0.3575
28	V	A	0.1119
29	A	A	-0.1271
30	D	A	-0.7010
31	Y	A	0.0000
32	S	A	-0.0246
33	V	A	1.3766
34	L	A	0.9635
35	Y	A	1.1583
36	N	A	-0.0205
37	S	A	0.1842
38	A	A	-0.1214
39	S	A	-0.2121
40	F	A	0.1126
41	S	A	-0.1502
42	T	A	-0.1731
43	F	A	0.1271
44	K	A	-0.2625
45	C	A	0.1957
46	Y	A	-0.1332
47	G	A	-0.4903
48	V	A	0.0952
49	S	A	-0.6427
50	P	A	-0.4937
51	T	A	-1.0630
52	K	A	-2.0912
53	L	A	0.0000
54	N	A	-1.9314
55	D	A	-2.4991
56	L	A	-0.3806
57	C	A	0.5536
58	F	A	0.7528
59	T	A	0.3288
60	N	A	-0.5258
61	V	A	0.0000
62	Y	A	-1.1846
63	A	A	0.0000
64	D	A	0.0000
65	S	A	0.0000
66	F	A	0.0000
67	V	A	0.0000
68	I	A	0.0000
69	R	A	-0.4402
70	G	A	-0.9096
71	D	A	-1.9804
72	E	A	-2.0005
73	V	A	0.0000
74	R	A	-2.4972
75	Q	A	-1.9023
76	I	A	0.0000
77	A	A	-1.0581
78	P	A	-1.7668
79	G	A	-1.7438
80	Q	A	-1.4815
81	T	A	-0.9763
82	G	A	-1.2423
83	K	A	-1.7072
84	I	A	0.0000
85	A	A	0.0000
86	D	A	-1.5961
87	Y	A	-1.1301
88	N	A	0.0000
89	Y	A	0.0000
90	K	A	-1.5530
91	L	A	0.0000
92	P	A	-1.9725
93	D	A	-2.9747
94	D	A	-2.8029
95	F	A	0.0000
96	T	A	-0.5719
97	G	A	0.0000
98	C	A	0.0000
99	V	A	0.0000
100	I	A	0.0000
101	A	A	0.0000
102	W	A	-0.2423
103	N	A	-0.4783
104	S	A	0.0000
105	N	A	-1.1094
106	N	A	-1.5018
107	L	A	-0.8005
108	D	A	0.0000
109	S	A	-0.7516
110	K	A	-0.6114
111	V	A	0.7770
112	G	A	0.0321
113	G	A	-0.1121
114	N	A	0.0000
115	Y	A	0.6587
116	N	A	-0.0813
117	Y	A	0.0000
118	L	A	0.2190
119	Y	A	-0.0081
120	R	A	0.0000
121	L	A	0.1863
122	F	A	-0.1169
123	R	A	-1.1859
124	K	A	-2.1629
125	S	A	-1.8646
126	N	A	-2.4205
127	L	A	0.0000
128	K	A	-2.3146
129	P	A	-1.4904
130	F	A	-0.6810
131	E	A	-1.5634
132	R	A	-1.7139
133	D	A	-0.7657
134	I	A	-0.1314
135	S	A	-0.2853
136	T	A	-0.2632
137	E	A	-0.4646
138	I	A	0.0000
139	Y	A	-0.2379
140	Q	A	-0.7725
141	A	A	-0.6518
142	G	A	-0.9152
143	S	A	-0.7821
144	T	A	-0.3878
145	P	A	-0.6111
146	C	A	-0.7732
147	N	A	-1.1694
148	G	A	-0.4721
149	V	A	-0.0729
150	E	A	0.0246
151	G	A	0.4042
152	F	A	1.2820
153	N	A	-0.0166
154	C	A	0.0000
155	Y	A	0.6937
156	F	A	0.3145
157	P	A	0.0000
158	L	A	0.1331
159	Q	A	-0.6410
160	S	A	-0.1081
161	Y	A	0.0000
162	G	A	-0.0427
163	F	A	0.0000
164	Q	A	-0.5990
165	P	A	-0.7751
166	T	A	-0.1520
167	N	A	0.1098
168	G	A	0.5801
169	V	A	1.3977
170	G	A	0.3104
171	Y	A	0.8698
172	Q	A	0.1515
173	P	A	0.0000
174	Y	A	-0.1807
175	R	A	0.0000
176	V	A	0.0000
177	V	A	0.0000
178	V	A	0.0000
179	L	A	0.0000
180	S	A	-0.0436
181	F	A	0.1051
182	E	A	-0.2262
183	L	A	1.2982
184	Q	H	-1.6707
185	V	H	0.0000
186	Q	H	-1.2520
187	L	H	0.0000
188	Q	H	-1.2100
189	E	H	0.0000
190	S	H	-0.5313
191	G	H	-0.5132
192	P	H	0.1147
193	G	H	-0.1137
194	L	H	1.0078
195	V	H	0.3325
196	K	H	-0.8364
197	P	H	-1.1050
198	S	H	-1.5223
199	E	H	-1.8262
200	T	H	-1.5965
201	L	H	0.0000
202	S	H	-0.6647
203	L	H	0.0000
204	T	H	-0.5026
205	C	H	0.0000
206	A	H	-1.1232
207	V	H	0.0000
208	S	H	-1.3917
209	G	H	-1.5996
210	D	H	-1.6655
211	S	H	-1.1637
212	I	H	0.0000
213	S	H	-0.6689
214	S	H	-0.6662
215	N	H	0.0000
216	Y	H	0.0000
217	W	H	0.0000
218	S	H	0.0000
219	W	H	0.0000
220	I	H	0.0000
221	R	H	0.0000
222	Q	H	-0.6946
223	P	H	-0.7962
224	P	H	-1.0420
225	G	H	-1.4645
226	K	H	-2.4651
227	G	H	-1.7146
228	L	H	0.0000
229	E	H	-1.0677
230	W	H	0.0000
231	I	H	0.0000
232	G	H	0.0000
233	R	H	-0.3622
234	F	H	0.0000
235	S	H	0.0000
236	G	H	0.0000
237	S	H	-0.3825
238	G	H	-0.8005
239	G	H	-0.4022
240	S	H	-0.4909
241	T	H	-0.4629
242	D	H	-0.8529
243	F	H	-0.8595
244	N	H	-0.8583
245	P	H	-0.8739
246	S	H	-0.8112
247	L	H	0.0000
248	K	H	-2.0209
249	S	H	-1.4369
250	R	H	-1.6244
251	V	H	-1.1026
252	T	H	-0.6679
253	I	H	-0.0806
254	S	H	-0.4554
255	T	H	-1.0564
256	D	H	-1.7865
257	T	H	-1.5522
258	S	H	-1.6151
259	K	H	-2.5739
260	N	H	-2.3187
261	Q	H	-1.8286
262	F	H	0.0000
263	S	H	-0.4209
264	L	H	0.0000
265	N	H	-0.8842
266	L	H	0.0000
267	R	H	-2.4422
268	S	H	-1.7860
269	V	H	0.0000
270	T	H	-0.5710
271	A	H	-0.0054
272	A	H	0.0586
273	D	H	0.0000
274	T	H	0.3085
275	A	H	0.0000
276	V	H	0.6932
277	Y	H	0.0000
278	Y	H	0.0000
279	C	H	0.0000
280	A	H	0.0000
281	K	H	-0.6906
282	T	H	0.0000
283	Y	H	-0.3830
284	G	H	-0.5527
285	G	H	-0.2391
286	T	H	-0.4044
287	F	H	0.0000
288	D	H	-1.7095
289	Y	H	-0.8312
290	W	H	-0.7334
291	G	H	-0.9560
292	Q	H	-1.6334
293	G	H	-0.5959
294	V	H	0.4031
295	L	H	1.6587
296	V	H	0.0000
297	T	H	0.7604
298	D	L	-1.6486
299	I	L	0.0000
300	Q	L	-1.7933
301	M	L	0.0000
302	T	L	-1.1843
303	Q	L	0.0000
304	S	L	-0.6795
305	P	L	-0.5297
306	S	L	-0.7541
307	S	L	-0.9523
308	L	L	-0.2915
309	S	L	-0.3187
310	A	L	-0.2745
311	S	L	0.1703
312	V	L	0.8035
313	G	L	-0.6921
314	D	L	-1.8572
315	R	L	-2.3861
316	V	L	0.0000
317	T	L	-0.5599
318	I	L	0.0000
319	T	L	-0.6503
320	C	L	0.0000
321	R	L	-2.2352
322	A	L	-1.5194
323	S	L	-1.3894
324	Q	L	-1.4745
325	D	L	-1.5163
326	I	L	0.0000
327	N	L	0.0000
328	N	L	-0.3333
329	Y	L	0.0000
330	L	L	0.0000
331	S	L	0.0000
332	W	L	0.0000
333	Y	L	0.0000
334	Q	L	-0.5060
335	Q	L	0.0000
336	K	L	-1.4588
337	P	L	-1.2552
338	G	L	-1.4498
339	K	L	-2.4124
340	A	L	0.0000
341	P	L	0.0000
342	K	L	-1.0298
343	P	L	0.0000
344	L	L	0.0000
345	I	L	0.0000
346	Y	L	0.7257
347	Y	L	0.9200
348	A	L	0.0000
349	S	L	0.0311
350	S	L	0.3890
351	L	L	0.6953
352	E	L	-0.0236
353	T	L	-0.1864
354	G	L	-0.3270
355	V	L	0.1299
356	P	L	-0.2565
357	S	L	-0.3690
358	R	L	-0.6657
359	F	L	0.0169
360	S	L	-0.1392
361	G	L	-0.1553
362	S	L	-0.5248
363	R	L	-1.2741
364	S	L	-0.9082
365	G	L	-1.0602
366	T	L	-1.2918
367	D	L	-1.4971
368	Y	L	0.0000
369	T	L	-0.6729
370	L	L	0.0000
371	T	L	-0.4930
372	I	L	0.0000
373	S	L	-1.4247
374	S	L	-1.3764
375	L	L	0.0000
376	Q	L	-0.2037
377	L	L	0.8267
378	E	L	-1.0299
379	D	L	0.0000
380	F	L	-0.3568
381	A	L	0.0000
382	T	L	-0.9534
383	Y	L	0.0000
384	Y	L	0.0000
385	C	L	0.0000
386	Q	L	0.0000
387	Q	L	0.0000
388	Y	L	0.0000
389	N	L	-0.4564
390	N	L	-0.4503
391	S	L	-0.2863
392	P	L	-0.5099
393	Y	L	-0.3062
394	S	L	-0.6923
395	F	L	0.0000
396	G	L	0.0000
397	Q	L	-1.8899
398	G	L	-1.2772
399	T	L	0.0000
400	K	L	-1.5478
401	V	L	0.0000
402	E	L	-0.8485
403	I	L	1.5870