Project name: TYR_386

Chain sequence(s)	A: LCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFEL; H: VKLVESGGGLVKPGGSLKLSCAASGFTFSSYAMSWVRQTPEKRLEWVATISSGGTYTYYPDSVKGRFTISRDNAENTLYLQMSSLRSEDTAMYYCVRDGNSMDYWGQGTSV; L: DIQMTQTTSSLSASLGDRVTIICRASQDINNYLNWYQQKPDGTVKLLIYYTSRLSGVPSRFSGSGSGSDYSLTISNLEQEDIATYFCQQAYTLPPTFGAGTKLEL
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                                          (00:03:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:39)

• Minimal score value: -3.2608
• Maximal score value: 1.3375
• Average score: -0.5989
• Total score value: -238.9478

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	1.0016
2	C	A	0.3440
3	P	A	-0.3863
4	F	A	0.0000
5	G	A	0.0000
6	E	A	-1.6592
7	V	A	-1.3908
8	F	A	0.0000
9	N	A	-1.7471
10	A	A	-1.5815
11	T	A	-1.4318
12	R	A	-1.3042
13	F	A	-0.3408
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	-1.5211
22	K	A	-1.5612
23	R	A	-1.8568
24	I	A	-0.9037
25	S	A	-1.1008
26	N	A	-0.8955
27	C	A	0.0000
28	V	A	0.0907
29	A	A	0.0000
30	D	A	-0.7748
31	Y	A	0.0000
32	S	A	-0.0160
33	V	A	-0.1141
34	L	A	0.0000
35	Y	A	0.7183
36	N	A	-0.7129
37	S	A	-0.4218
38	A	A	-0.1064
39	S	A	-0.0339
40	F	A	0.4671
41	S	A	0.0018
42	T	A	-0.2295
43	F	A	0.2258
44	K	A	-0.7107
45	C	A	-0.2879
46	Y	A	-0.4172
47	G	A	-0.5199
48	V	A	-0.3514
49	S	A	-0.9852
50	P	A	-1.3004
51	T	A	-1.5391
52	K	A	-2.4129
53	L	A	0.0000
54	N	A	-1.9258
55	D	A	-2.3518
56	L	A	-0.5169
57	C	A	0.2006
58	F	A	0.0000
59	T	A	-0.4026
60	N	A	-0.8858
61	V	A	0.0000
62	Y	A	-0.9522
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	-0.9730
70	G	A	0.0000
71	D	A	-2.1038
72	E	A	-2.1469
73	V	A	0.0000
74	R	A	-2.6108
75	Q	A	-2.0441
76	I	A	0.0000
77	A	A	-1.1817
78	P	A	-1.7260
79	G	A	-1.5024
80	Q	A	-1.6774
81	T	A	-1.0742
82	G	A	-1.0895
83	K	A	-1.3757
84	I	A	0.0000
85	A	A	0.0000
86	D	A	-1.5671
87	Y	A	-1.3889
88	N	A	0.0000
89	Y	A	0.0000
90	K	A	-1.5057
91	L	A	0.0000
92	P	A	-1.8992
93	D	A	-2.9385
94	D	A	-2.7859
95	F	A	0.0000
96	T	A	-0.9252
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	-0.0628
103	N	A	-0.4693
104	S	A	0.0000
105	N	A	-0.6260
106	N	A	-1.2258
107	L	A	-0.0806
108	D	A	0.0000
109	S	A	0.0000
110	K	A	-0.7491
111	V	A	0.6757
112	G	A	-0.3392
113	G	A	-0.4827
114	N	A	-0.6854
115	Y	A	-0.4204
116	N	A	-0.5338
117	Y	A	0.1133
118	L	A	0.1518
119	Y	A	0.0000
120	R	A	0.0000
121	L	A	0.1098
122	F	A	-0.3508
123	R	A	-1.5160
124	K	A	-2.1339
125	S	A	-1.8505
126	N	A	-2.3822
127	L	A	0.0000
128	K	A	-2.5167
129	P	A	-1.7099
130	F	A	-0.8845
131	E	A	-1.8520
132	R	A	-1.3026
133	D	A	-1.0388
134	I	A	0.0000
135	S	A	-0.5182
136	T	A	0.0000
137	E	A	-1.3899
138	I	A	-0.5301
139	Y	A	-0.6518
140	Q	A	-1.1184
141	A	A	-0.5209
142	G	A	-0.6633
143	S	A	-0.4635
144	T	A	-0.3108
145	P	A	-0.3479
146	C	A	-0.4134
147	N	A	-1.4137
148	G	A	-1.1938
149	V	A	-0.1819
150	E	A	-0.1572
151	G	A	0.3477
152	F	A	1.3375
153	N	A	0.0939
154	C	A	0.0000
155	Y	A	0.7041
156	F	A	0.2631
157	P	A	0.0000
158	L	A	0.0000
159	Q	A	-0.3236
160	S	A	0.0000
161	Y	A	0.0000
162	G	A	-0.3170
163	F	A	0.0000
164	Q	A	-0.5369
165	P	A	-0.3284
166	T	A	-0.0698
167	N	A	-0.2031
168	G	A	0.3173
169	V	A	1.1036
170	G	A	-0.0324
171	Y	A	0.3004
172	Q	A	-0.0052
173	P	A	0.0000
174	Y	A	-0.2689
175	R	A	-0.3267
176	V	A	0.0000
177	V	A	0.0000
178	V	A	0.0000
179	L	A	0.0000
180	S	A	-0.5073
181	F	A	0.0000
182	E	A	-1.0278
183	L	A	0.6522
184	V	H	1.1791
185	K	H	-0.0778
186	L	H	0.0000
187	V	H	0.1740
188	E	H	0.0000
189	S	H	-0.7078
190	G	H	-1.0867
191	G	H	-0.4591
192	G	H	0.3108
193	L	H	1.1622
194	V	H	-0.1846
195	K	H	-1.7451
196	P	H	-1.7538
197	G	H	-1.5453
198	G	H	-0.9790
199	S	H	-1.1433
200	L	H	-0.7723
201	K	H	-1.9742
202	L	H	0.0000
203	S	H	-0.4841
204	C	H	0.0000
205	A	H	-0.3520
206	A	H	0.0000
207	S	H	-0.0813
208	G	H	0.1761
209	F	H	0.2923
210	T	H	-0.2671
211	F	H	0.0000
212	S	H	-0.7510
213	S	H	0.0000
214	Y	H	-0.1367
215	A	H	-0.2002
216	M	H	0.0000
217	S	H	0.0000
218	W	H	0.0000
219	V	H	0.0000
220	R	H	0.0000
221	Q	H	0.0000
222	T	H	-1.7561
223	P	H	-1.9277
224	E	H	-2.9366
225	K	H	-2.9856
226	R	H	-2.2024
227	L	H	0.0000
228	E	H	-1.1157
229	W	H	0.0000
230	V	H	0.0000
231	A	H	0.0000
232	T	H	0.0000
233	I	H	0.0000
234	S	H	0.0000
235	S	H	0.0000
236	G	H	-0.7837
237	G	H	-0.5911
238	T	H	-0.1246
239	Y	H	0.1622
240	T	H	0.1143
241	Y	H	0.0000
242	Y	H	-0.5850
243	P	H	-1.2267
244	D	H	-2.0831
245	S	H	-1.2413
246	V	H	0.0000
247	K	H	-1.2269
248	G	H	-1.1719
249	R	H	-0.9249
250	F	H	0.0000
251	T	H	-0.6577
252	I	H	0.0000
253	S	H	-0.3825
254	R	H	-1.2491
255	D	H	-2.1021
256	N	H	-2.0846
257	A	H	-1.7041
258	E	H	-2.6657
259	N	H	-2.2964
260	T	H	-1.2997
261	L	H	0.0000
262	Y	H	-0.4689
263	L	H	0.0000
264	Q	H	-1.2727
265	M	H	0.0000
266	S	H	-1.0943
267	S	H	-1.2136
268	L	H	0.0000
269	R	H	-3.0171
270	S	H	-1.9873
271	E	H	-2.5702
272	D	H	0.0000
273	T	H	-0.8315
274	A	H	0.0000
275	M	H	0.0346
276	Y	H	0.0000
277	Y	H	0.0000
278	C	H	0.0000
279	V	H	0.0000
280	R	H	-0.5524
281	D	H	-0.6972
282	G	H	-0.6938
283	N	H	-1.0050
284	S	H	-0.8437
285	M	H	-0.7067
286	D	H	-1.2474
287	Y	H	-0.3286
288	W	H	0.0000
289	G	H	0.0000
290	Q	H	-1.2560
291	G	H	-0.3687
292	T	H	-0.3016
293	S	H	0.0784
294	V	H	0.5403
295	D	L	-2.2095
296	I	L	0.0000
297	Q	L	-2.1022
298	M	L	0.0000
299	T	L	-1.0522
300	Q	L	0.0000
301	T	L	-0.1724
302	T	L	-0.0831
303	S	L	-0.4625
304	S	L	-0.8817
305	L	L	-0.4393
306	S	L	-0.3950
307	A	L	-0.8621
308	S	L	-0.9875
309	L	L	-1.0903
310	G	L	-2.1372
311	D	L	-3.2608
312	R	L	-3.1614
313	V	L	0.0000
314	T	L	-0.1938
315	I	L	0.0000
316	I	L	0.3793
317	C	L	0.0000
318	R	L	-2.7208
319	A	L	-2.1163
320	S	L	-1.8105
321	Q	L	-1.7877
322	D	L	-1.3376
323	I	L	0.0000
324	N	L	-0.7039
325	N	L	-0.6339
326	Y	L	0.0000
327	L	L	0.0000
328	N	L	0.0000
329	W	L	0.0000
330	Y	L	0.0000
331	Q	L	0.0000
332	Q	L	0.0000
333	K	L	-1.5663
334	P	L	-1.4070
335	D	L	-2.2707
336	G	L	-1.4737
337	T	L	-1.1895
338	V	L	0.0000
339	K	L	-0.6771
340	L	L	-0.2638
341	L	L	0.0000
342	I	L	0.0000
343	Y	L	-0.0341
344	Y	L	0.0557
345	T	L	0.0000
346	S	L	-0.7729
347	R	L	-1.3615
348	L	L	-0.2028
350	S	L	-0.6372
351	G	L	-0.4110
352	V	L	-0.3022
353	P	L	-0.2907
354	S	L	-0.3531
355	R	L	-1.0722
356	F	L	0.0000
357	S	L	-0.5397
358	G	L	0.0000
359	S	L	-0.7173
360	G	L	-1.1841
361	S	L	-1.1838
362	G	L	-1.4848
363	S	L	-2.0440
364	D	L	-2.7648
365	Y	L	0.0000
366	S	L	-0.3947
367	L	L	0.0000
368	T	L	-0.5181
369	I	L	0.0000
370	S	L	-2.1424
371	N	L	-2.9763
372	L	L	0.0000
373	E	L	-2.6891
374	Q	L	-2.3985
375	E	L	-2.6616
376	D	L	0.0000
377	I	L	-1.3312
378	A	L	0.0000
379	T	L	0.0000
380	Y	L	0.0000
381	F	L	0.0000
382	C	L	0.0000
383	Q	L	0.0000
384	Q	L	0.0000
385	A	L	0.1266
386	Y	L	0.0509
387	T	L	-0.1426
388	L	L	-0.1662
389	P	L	-0.7285
390	P	L	-0.4082
391	T	L	-0.8396
392	F	L	0.0000
393	G	L	0.0000
394	A	L	-1.2904
395	G	L	0.0000
396	T	L	0.0000
397	K	L	-1.2437
398	L	L	0.0000
399	E	L	-1.2531
400	L	L	0.6695