Project name: tepro

Chain sequence(s)	H: QVELVESGGGVVQPGRSQRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAIIWFDGSSTYYADSVRGRFTISRDNSKNTLYLQMNSLRAEDTAVYFCARELGRRYFDLWGRGTLVSVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG; C: QVELVESGGGVVQPGRSQRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAIIWFDGSSTYYADSVRGRFTISRDNSKNTLYLQMNSLRAEDTAVYFCARELGRRYFDLWGRGTLVSVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; L: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASKRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSKWPPWTFGQGTKVESKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASKRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSKWPPWTFGQGTKVESKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
Selected Chain(s)	H,C,L,D
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                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:05)

• Minimal score value: -4.3588
• Maximal score value: 1.5322
• Average score: -0.8289
• Total score value: -1095.8112

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	H	-1.4143
2	V	H	-0.9800
3	E	H	-1.6403
4	L	H	0.0000
5	V	H	0.4263
6	E	H	0.0000
7	S	H	-0.1807
8	G	H	-0.7957
9	G	H	-0.3381
10	G	H	-0.1201
11	V	H	0.2658
12	V	H	0.0000
13	Q	H	-1.7892
14	P	H	-2.2223
15	G	H	-2.2888
16	R	H	-2.9904
17	S	H	-2.2573
18	Q	H	-2.0354
19	R	H	-2.3657
20	L	H	0.0000
21	S	H	-0.4291
22	C	H	0.0000
23	A	H	-0.2972
24	A	H	0.0000
25	S	H	-0.7297
26	G	H	-0.6536
27	F	H	0.5789
28	T	H	0.0835
29	F	H	0.0000
30	S	H	-0.5526
31	S	H	0.1272
32	Y	H	0.7732
33	G	H	0.0000
34	M	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.8096
40	A	H	-1.1949
41	P	H	-1.0639
42	G	H	-1.5079
43	K	H	-2.4808
44	G	H	-1.7942
45	L	H	0.0000
46	E	H	-1.5841
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	I	H	0.0000
51	I	H	0.0000
52	W	H	0.4096
52A	F	H	0.5360
53	D	H	-1.3481
54	G	H	-0.7693
55	S	H	-0.5168
56	S	H	-0.0732
57	T	H	0.2479
58	Y	H	0.2566
59	Y	H	-0.5939
60	A	H	-1.3310
61	D	H	-2.4203
62	S	H	-1.8547
63	V	H	0.0000
64	R	H	-2.7243
65	G	H	-1.8868
66	R	H	-1.9272
67	F	H	0.0000
68	T	H	-0.8797
69	I	H	0.0000
70	S	H	-0.4682
71	R	H	-1.1053
72	D	H	-1.9564
73	N	H	-1.6937
74	S	H	-1.6679
75	K	H	-2.3629
76	N	H	-1.5103
77	T	H	0.0000
78	L	H	0.0000
79	Y	H	-0.6668
80	L	H	0.0000
81	Q	H	-1.5465
82	M	H	0.0000
82A	N	H	-2.4420
82B	S	H	-2.1810
82C	L	H	0.0000
83	R	H	-3.1158
84	A	H	-1.9375
85	E	H	-2.4359
86	D	H	0.0000
87	T	H	-0.7204
88	A	H	0.0000
89	V	H	0.4418
90	Y	H	0.0000
91	F	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	0.0000
95	E	H	0.0000
96	L	H	-0.1382
97	G	H	-0.7248
98	R	H	-1.9582
99	R	H	-1.2916
100	Y	H	-0.4288
100A	F	H	0.0000
101	D	H	-0.2776
102	L	H	-0.4666
103	W	H	0.0000
104	G	H	0.0000
105	R	H	-1.9286
106	G	H	-0.6554
107	T	H	0.2203
108	L	H	1.0958
109	V	H	0.0000
110	S	H	-0.1891
111	V	H	0.0000
112	S	H	-0.9073
113	S	H	-0.4721
114	A	H	-0.3154
115	S	H	-0.5235
116	T	H	-0.7533
117	K	H	-1.4301
118	G	H	-1.4089
119	P	H	-0.6876
120	S	H	-0.1943
121	V	H	0.0000
122	F	H	-0.5130
123	P	H	-1.1822
124	L	H	0.0000
125	A	H	-1.1275
126	P	H	0.0000
127	S	H	-1.2473
128	S	H	-1.1713
129	K	H	-1.9269
130	S	H	-1.3606
131	T	H	-1.0815
132	S	H	-0.8885
133	G	H	-0.8651
134	G	H	-0.8960
135	T	H	-0.5757
136	A	H	-0.4866
137	A	H	0.0000
138	L	H	0.0000
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	0.0000
144	D	H	-0.4224
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	-0.8367
148	E	H	-1.1823
149	P	H	-1.0277
150	V	H	-0.7391
151	T	H	-0.5399
152	V	H	-0.0589
153	S	H	-0.2855
154	W	H	0.0000
155	N	H	-0.7149
156	S	H	-0.5839
157	G	H	-0.5814
158	A	H	-0.2603
159	L	H	-0.0336
160	T	H	-0.2120
161	S	H	-0.2384
162	G	H	-0.3103
163	V	H	0.0668
164	H	H	-0.1319
165	T	H	0.0455
166	F	H	0.0000
167	P	H	-0.3028
168	A	H	0.1012
169	V	H	0.3678
170	L	H	1.0804
171	Q	H	0.2661
172	S	H	-0.0798
173	S	H	-0.2305
174	G	H	-0.0490
175	L	H	0.0596
176	Y	H	0.4341
177	S	H	0.1827
178	L	H	0.0000
179	S	H	0.0000
180	S	H	0.0000
181	V	H	0.0000
182	V	H	0.0000
183	T	H	-0.1488
184	V	H	0.0000
185	P	H	-0.4495
186	S	H	-0.5897
187	S	H	-0.4861
188	S	H	-0.6001
189	L	H	-0.7214
190	G	H	-0.9834
191	T	H	-0.7931
192	Q	H	-1.4138
193	T	H	-1.2691
194	Y	H	0.0000
195	I	H	-1.2179
196	C	H	0.0000
197	N	H	-1.1157
198	V	H	0.0000
199	N	H	-1.5823
200	H	H	0.0000
201	K	H	-2.8201
202	P	H	-1.8127
203	S	H	-1.9933
204	N	H	-2.6117
205	T	H	-2.0826
206	K	H	-2.3861
207	V	H	-0.9753
208	D	H	-1.5910
209	K	H	-1.6781
210	R	H	-2.6345
211	V	H	0.0000
212	E	H	-3.0096
213	P	H	-1.9803
214	K	H	-2.3673
215	S	H	-1.7433
216	C	H	-1.3828
217	D	H	-3.0129
218	K	H	-3.3334
219	T	H	-2.2775
220	H	H	-2.4862
221	T	H	-1.5579
222	C	H	-0.1728
223	P	H	-0.4032
224	P	H	-0.0668
225	C	H	0.2563
226	P	H	-0.2516
227	A	H	-0.9511
228	P	H	-1.7560
229	E	H	-2.5045
230	A	H	-1.4474
231	A	H	-1.1476
232	G	H	-0.9018
233	G	H	-1.1130
234	P	H	0.0000
235	S	H	-0.2007
236	V	H	0.0000
237	F	H	1.2416
238	L	H	1.0419
239	F	H	1.2754
240	P	H	-0.0305
241	P	H	0.0000
242	K	H	-2.2158
243	P	H	-1.2765
244	K	H	-1.0976
245	D	H	0.0000
246	T	H	0.0000
247	L	H	0.0000
248	M	H	0.2317
249	I	H	1.2277
250	S	H	-0.1572
251	R	H	-1.6632
252	T	H	-0.8699
253	P	H	0.0000
254	E	H	-1.2597
255	V	H	0.0000
256	T	H	0.5071
257	C	H	0.0000
258	V	H	0.0000
259	V	H	0.0000
260	V	H	-0.8645
261	D	H	-1.8544
262	V	H	0.0000
263	S	H	-1.9351
264	H	H	-2.0896
265	E	H	-2.8237
266	D	H	-2.3183
267	P	H	-2.3536
268	E	H	-2.9413
269	V	H	-1.8741
270	K	H	-2.1264
271	F	H	-1.1763
272	N	H	-1.3197
273	W	H	0.0000
274	Y	H	-1.1926
275	V	H	-1.0100
276	D	H	-2.1572
277	G	H	-0.9539
278	V	H	0.3466
279	E	H	-1.4407
280	V	H	-0.8880
281	H	H	-2.0490
282	N	H	-2.1932
283	A	H	-1.6636
284	K	H	-2.4154
285	T	H	-1.9505
286	K	H	-2.6053
287	P	H	-2.5697
288	R	H	-4.1513
289	E	H	-4.3588
290	E	H	-3.5527
291	Q	H	-2.1168
292	Y	H	0.2591
293	N	H	-0.6622
294	S	H	-0.9591
295	T	H	0.0000
296	Y	H	0.0000
297	R	H	-3.2124
298	V	H	0.0000
299	V	H	0.0000
300	S	H	0.0000
301	V	H	-0.7722
302	L	H	0.0000
303	T	H	-0.7063
304	V	H	0.0000
305	L	H	0.1791
306	H	H	-0.4905
307	Q	H	-1.4790
308	D	H	-1.5636
309	W	H	0.0000
310	L	H	-0.8999
311	N	H	-1.9894
312	G	H	-1.8778
313	K	H	-1.9656
314	E	H	-2.2319
315	Y	H	0.0000
316	K	H	-1.5825
317	C	H	0.0000
318	K	H	-1.4748
319	V	H	0.0000
320	S	H	-1.3045
321	N	H	0.0000
322	K	H	-2.4935
323	A	H	-1.7737
324	L	H	0.0000
325	P	H	-0.6723
326	A	H	-0.4957
327	P	H	-0.6302
328	I	H	-0.4119
329	E	H	-1.4716
330	K	H	-1.0069
331	T	H	-0.9048
332	I	H	-0.1337
333	S	H	-0.9503
334	K	H	0.0000
335	A	H	-0.8467
336	K	H	-2.1569
337	G	H	-1.7691
338	Q	H	-1.8327
339	P	H	-1.7075
340	R	H	-1.8220
341	E	H	-2.3569
342	P	H	0.0000
343	Q	H	-0.9585
344	V	H	0.0000
345	Y	H	0.0000
346	T	H	0.0000
347	L	H	0.0000
348	P	H	-0.3934
349	P	H	-0.7720
350	S	H	0.0000
351	R	H	-2.2464
352	E	H	-1.9196
353	E	H	0.0000
354	M	H	-1.6956
355	T	H	-1.4909
356	K	H	-2.2936
357	N	H	-2.7727
358	Q	H	-2.7738
359	V	H	0.0000
360	S	H	0.0000
361	L	H	0.0000
362	T	H	0.0000
363	C	H	0.0000
364	L	H	0.0000
365	V	H	0.0000
366	K	H	-0.3941
367	G	H	-0.8977
368	F	H	0.0000
369	Y	H	-0.8136
370	P	H	0.0000
371	S	H	-0.1263
372	D	H	-0.8480
373	I	H	0.0000
374	A	H	0.0000
375	V	H	-0.2518
376	E	H	-0.9005
377	W	H	0.0000
378	E	H	-1.5445
379	S	H	0.0000
380	N	H	-1.8088
381	G	H	-1.8620
382	Q	H	-2.2977
383	P	H	-1.9827
384	E	H	-1.9712
385	N	H	-2.3485
386	N	H	-2.0965
387	Y	H	-1.2854
388	K	H	-1.1012
389	T	H	-0.3465
390	T	H	0.0000
391	P	H	-0.1320
392	P	H	0.1685
393	V	H	0.5513
394	L	H	0.8181
395	D	H	-0.4241
396	S	H	-1.0921
397	D	H	-1.7880
398	G	H	-0.7248
399	S	H	0.0000
400	F	H	0.2989
401	F	H	0.0000
402	L	H	0.0000
403	Y	H	0.0000
404	S	H	0.0000
405	K	H	0.0000
406	L	H	0.0000
407	T	H	-1.2488
408	V	H	0.0000
409	D	H	-2.9622
410	K	H	-2.8045
411	S	H	-2.3254
412	R	H	-2.1112
413	W	H	0.0000
414	Q	H	-2.3887
415	Q	H	-2.1040
416	G	H	-1.1818
417	N	H	-0.6105
418	V	H	0.6852
419	F	H	0.0000
420	S	H	-0.6274
421	C	H	0.0000
422	S	H	0.0000
423	V	H	0.0000
424	M	H	0.0000
425	H	H	0.0000
426	E	H	-1.0294
427	A	H	-1.4882
428	L	H	-1.4889
429	H	H	-1.8657
430	N	H	-1.8267
431	H	H	-1.4249
432	Y	H	-0.5605
433	T	H	-0.7393
434	Q	H	-1.0364
435	K	H	-0.9976
436	S	H	-0.3775
437	L	H	0.0000
438	S	H	0.0375
439	L	H	-0.1962
440	S	H	-0.4116
441	P	H	-0.4851
442	G	H	-0.8429
1	E	L	-1.8618
2	I	L	0.0000
3	V	L	0.7158
4	L	L	0.0000
5	T	L	-0.6547
6	Q	L	0.0000
7	S	L	-0.8018
8	P	L	-0.4343
9	A	L	-0.5946
10	T	L	-0.5183
11	L	L	-0.3700
12	S	L	-0.6321
13	L	L	-1.0935
14	S	L	-1.7694
15	P	L	-1.9841
16	G	L	-1.9240
17	E	L	-2.5979
18	R	L	-2.7324
19	A	L	0.0000
20	T	L	-0.7151
21	L	L	0.0000
22	S	L	-0.9349
23	C	L	0.0000
24	R	L	-2.1835
25	A	L	0.0000
26	S	L	-0.8881
27	Q	L	-1.7003
28	S	L	-1.5712
29	V	L	0.0000
30	S	L	-0.8878
31	S	L	-0.5438
32	Y	L	-0.3527
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	-0.7745
38	Q	L	0.0000
39	K	L	-1.7142
40	P	L	-1.4111
41	G	L	-1.4360
42	Q	L	-1.9830
43	A	L	-1.5842
44	P	L	0.0000
45	R	L	-1.3781
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-1.0376
50	D	L	-1.2061
51	A	L	0.0000
52	S	L	-1.5065
53	K	L	-2.4224
54	R	L	-1.9854
55	A	L	-1.1332
56	T	L	-0.6800
57	G	L	-0.5549
58	I	L	-0.6921
59	P	L	-0.4038
60	A	L	-0.3906
61	R	L	-0.9437
62	F	L	0.0000
63	S	L	-0.8131
64	G	L	-0.8737
65	S	L	-1.0405
66	G	L	-1.3456
67	S	L	-1.2419
68	G	L	-1.3419
69	T	L	-1.9977
70	D	L	-2.6279
71	F	L	0.0000
72	T	L	-0.8627
73	L	L	0.0000
74	T	L	-0.6291
75	I	L	0.0000
76	S	L	-1.6034
77	S	L	-1.9636
78	L	L	0.0000
79	E	L	-2.2922
80	P	L	-1.7944
81	E	L	-2.4015
82	D	L	0.0000
83	F	L	-1.0043
84	A	L	0.0000
85	V	L	-0.7022
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	R	L	0.0000
92	S	L	-1.1066
93	K	L	-2.0756
94	W	L	-0.9221
95	P	L	-0.7726
95A	P	L	-1.0392
96	W	L	0.0000
97	T	L	-0.4616
98	F	L	-0.0978
99	G	L	0.0000
100	Q	L	-1.5193
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.2611
104	V	L	0.0000
105	E	L	-0.9165
106	S	L	-1.3033
107	K	L	-1.4327
108	R	L	-1.8932
109	T	L	-0.3078
110	V	L	1.0218
111	A	L	0.4128
112	A	L	0.0540
113	P	L	0.0000
114	S	L	-0.1942
115	V	L	0.0000
116	F	L	-0.0202
117	I	L	0.2088
118	F	L	0.0000
119	P	L	-0.5361
120	P	L	0.0000
121	S	L	-1.5373
122	D	L	-2.7736
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125	L	D	-2.1174
126	K	D	-2.7268
127	S	D	-1.8071
128	G	D	-1.3333
129	T	D	-1.1030
130	A	D	0.0000
131	S	D	0.0000
132	V	D	0.0000
133	V	D	0.0000
134	C	D	0.0000
135	L	D	0.0000
136	L	D	0.0000
137	N	D	0.0000
138	N	D	-1.1324
139	F	D	0.0000
140	Y	D	0.0000
141	P	D	-1.9598
142	R	D	-3.0556
143	E	D	-2.8656
144	A	D	-1.9103
145	K	D	-1.6375
146	V	D	-0.7894
147	Q	D	-0.7209
148	W	D	0.0000
149	K	D	-0.8751
150	V	D	0.0000
151	D	D	-1.8798
152	N	D	-1.5633
153	A	D	-0.3647
154	L	D	0.6165
155	Q	D	-0.7269
156	S	D	-0.9135
157	G	D	-1.3481
158	N	D	-1.7131
159	S	D	-1.3667
160	Q	D	-1.0098
161	E	D	-1.4846
162	S	D	-0.5813
163	V	D	-0.9422
164	T	D	-1.2205
165	E	D	-2.4344
166	Q	D	-2.4079
167	D	D	-2.4176
168	S	D	-2.0487
169	K	D	-3.0414
170	D	D	-3.1019
171	S	D	-2.2604
172	T	D	0.0000
173	Y	D	-1.6280
174	S	D	0.0000
175	L	D	0.0000
176	S	D	0.0000
177	S	D	0.0000
178	T	D	0.0000
179	L	D	0.0000
180	T	D	-0.4982
181	L	D	-0.8539
182	S	D	-1.3195
183	K	D	-2.3716
184	A	D	-1.9052
185	D	D	-2.9769
186	Y	D	0.0000
187	E	D	-3.2425
188	K	D	-3.5535
189	H	D	-3.1500
190	K	D	-3.0258
191	V	D	-1.8007
192	Y	D	0.0000
193	A	D	-0.8894
194	C	D	0.0000
195	E	D	-0.7128
196	V	D	0.0000
197	T	D	-0.9233
198	H	D	0.0000
199	Q	D	-1.4885
200	G	D	-0.2931
201	L	D	-0.2986
202	S	D	-0.6264
203	S	D	-0.6073
204	P	D	-0.3803
205	V	D	0.1232
206	T	D	-0.4712
207	K	D	-0.8331
208	S	D	-0.8706
209	F	D	0.0000
210	N	D	-2.0798
211	R	D	-2.1349
212	G	D	-2.0252
213	E	D	-2.1431
214	C	D	-0.9107