Project name: tepli

Chain sequence(s)	H: QVQLVQSGGGVVQPGRSLRLSCKASGYTFTRYTMHWVRQAPGKGLEWIGYINPSRGYTNYNQKVKDRFTISRDNSKNTAFLQMDSLRPEDTGVYFCARYYDDHYCLDYWGQGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG; C: QVQLVQSGGGVVQPGRSLRLSCKASGYTFTRYTMHWVRQAPGKGLEWIGYINPSRGYTNYNQKVKDRFTISRDNSKNTAFLQMDSLRPEDTGVYFCARYYDDHYCLDYWGQGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; L: DIQMTQSPSSLSASVGDRVTITCSASSSVSYMNWYQQTPGKAPKRWIYDTSKLASGVPSRFSGSGSGTDYTFTISSLQPEDIATYYCQQWSSNPFTFGQGTKLQITRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: DIQMTQSPSSLSASVGDRVTITCSASSSVSYMNWYQQTPGKAPKRWIYDTSKLASGVPSRFSGSGSGTDYTFTISSLQPEDIATYYCQQWSSNPFTFGQGTKLQITRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:22)

• Minimal score value: -4.0429
• Maximal score value: 1.7515
• Average score: -0.8238
• Total score value: -1087.3569

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	-1.5727
2	V	H	-1.1655
3	Q	H	-1.6082
4	L	H	0.0000
5	V	H	0.0770
6	Q	H	0.0000
7	S	H	-0.6537
8	G	H	-0.8990
9	G	H	-0.5800
10	G	H	-0.0536
11	V	H	0.6313
12	V	H	0.0000
13	Q	H	-1.7633
14	P	H	-2.1191
15	G	H	-2.3020
16	R	H	-2.8711
17	S	H	-2.2594
18	L	H	-1.6009
19	R	H	-2.1865
20	L	H	0.0000
21	S	H	-0.6960
22	C	H	0.0000
23	K	H	-1.4846
24	A	H	0.0000
25	S	H	-1.3537
26	G	H	-1.1717
27	Y	H	-0.8472
28	T	H	-0.7586
29	F	H	0.0000
30	T	H	-1.3660
31	R	H	-1.9826
32	Y	H	0.0000
33	T	H	-0.6193
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	-0.7502
40	A	H	-1.2247
41	P	H	-1.2228
42	G	H	-1.4941
43	K	H	-2.2936
44	G	H	-1.4612
45	L	H	0.0000
46	E	H	-0.6244
47	W	H	0.0000
48	I	H	0.0000
49	G	H	0.0000
50	Y	H	0.2518
51	I	H	0.0000
52	N	H	-0.8125
52A	P	H	-1.2832
53	S	H	-1.4133
54	R	H	-1.8399
55	G	H	-0.9263
56	Y	H	0.3307
57	T	H	0.0991
58	N	H	-0.4739
59	Y	H	-1.3130
60	N	H	0.0000
61	Q	H	-2.7404
62	K	H	-3.0126
63	V	H	0.0000
64	K	H	-2.9198
65	D	H	-2.8813
66	R	H	0.0000
67	F	H	0.0000
68	T	H	-1.0219
69	I	H	0.0000
70	S	H	-0.3226
71	R	H	-1.0860
72	D	H	-1.7761
73	N	H	-1.9088
74	S	H	-1.6364
75	K	H	-2.6197
76	N	H	-2.0782
77	T	H	-1.5215
78	A	H	0.0000
79	F	H	-0.6509
80	L	H	0.0000
81	Q	H	-1.3178
82	M	H	0.0000
82A	D	H	-2.3402
82B	S	H	-2.0548
82C	L	H	0.0000
83	R	H	-2.6862
84	P	H	-1.9801
85	E	H	-2.5811
86	D	H	0.0000
87	T	H	-0.8485
88	G	H	0.0000
89	V	H	-0.0443
90	Y	H	0.0000
91	F	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	-0.0217
95	Y	H	0.0000
96	Y	H	-1.3335
97	D	H	-2.3061
98	D	H	-2.3013
99	H	H	-1.6501
100	Y	H	-0.8143
100A	C	H	-0.1950
100B	L	H	0.2112
101	D	H	0.0000
102	Y	H	-0.3416
103	W	H	-0.5236
104	G	H	0.0000
105	Q	H	-1.4167
106	G	H	0.0000
107	T	H	0.0000
108	P	H	-0.2961
109	V	H	0.0000
110	T	H	-0.4251
111	V	H	0.0000
112	S	H	-0.7500
113	S	H	-0.5907
114	A	H	-0.4351
115	S	H	-0.5037
116	T	H	-0.7862
117	K	H	-1.6034
118	G	H	-1.5480
119	P	H	-0.8759
120	S	H	-0.2206
121	V	H	0.0000
122	F	H	-0.5322
123	P	H	-1.1994
124	L	H	0.0000
125	A	H	-1.1700
126	P	H	0.0000
127	S	H	-1.2934
128	S	H	-1.1881
129	K	H	-1.9342
130	S	H	-1.3603
131	T	H	-1.0815
132	S	H	-0.8886
133	G	H	-0.8652
134	G	H	-0.8966
135	T	H	-0.5757
136	A	H	-0.4835
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	-0.5246
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	-0.9096
148	E	H	-1.5545
149	P	H	-1.3228
150	V	H	-1.0498
151	T	H	-0.8067
152	V	H	-0.2287
153	S	H	-0.3747
154	W	H	0.0000
155	N	H	-0.6686
156	S	H	-0.5839
157	G	H	-0.5759
158	A	H	-0.2515
159	L	H	-0.0207
160	T	H	-0.2058
161	S	H	-0.2338
162	G	H	-0.2885
163	V	H	0.0736
164	H	H	-0.1095
165	T	H	0.0459
166	F	H	0.0000
167	P	H	-0.3241
168	A	H	-0.0023
169	V	H	0.2903
170	L	H	0.9053
171	Q	H	0.2021
172	S	H	-0.0882
173	S	H	-0.2493
174	G	H	-0.0167
175	L	H	-0.0888
176	Y	H	0.2617
177	S	H	0.0756
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	-0.1253
184	V	H	0.0000
185	P	H	-0.4486
186	S	H	-0.5883
187	S	H	-0.4847
188	S	H	-0.5966
189	L	H	-0.7194
190	G	H	-0.9831
191	T	H	-0.7895
192	Q	H	-1.4076
193	T	H	-1.2046
194	Y	H	0.0000
195	I	H	-1.1085
196	C	H	0.0000
197	N	H	-1.2832
198	V	H	0.0000
199	N	H	-2.2346
200	H	H	0.0000
201	K	H	-3.0270
202	P	H	-1.9429
203	S	H	-2.1083
204	N	H	-2.7272
205	T	H	-2.2634
206	K	H	-2.6500
207	V	H	-1.1776
208	D	H	-1.7283
209	K	H	-1.6181
210	R	H	-2.4347
211	V	H	0.0000
212	E	H	-2.9955
213	P	H	-2.0580
214	K	H	-2.5393
215	S	H	-1.7459
216	C	H	-1.3277
217	D	H	-2.9271
218	K	H	-3.2778
219	T	H	-2.2612
220	H	H	-2.4790
221	T	H	-1.5939
222	C	H	-0.2579
223	P	H	-0.4459
224	P	H	-0.0838
225	C	H	0.2557
226	P	H	-0.2745
227	A	H	-0.9640
228	P	H	-1.7843
229	E	H	-2.5224
230	A	H	-1.4608
231	A	H	-1.1687
232	G	H	-0.9134
233	G	H	-1.1585
234	P	H	0.0000
235	S	H	-0.2388
236	V	H	0.0000
237	F	H	1.2713
238	L	H	1.0672
239	F	H	1.3088
240	P	H	-0.0528
241	P	H	0.0000
242	K	H	-2.1139
243	P	H	-1.2213
244	K	H	-0.8612
245	D	H	0.0000
246	T	H	0.0000
247	L	H	-0.2154
248	M	H	0.4702
249	I	H	1.4529
250	S	H	0.1049
251	R	H	-1.1608
252	T	H	-0.6538
253	P	H	0.0000
254	E	H	-1.2287
255	V	H	0.0000
256	T	H	0.5178
257	C	H	0.0000
258	V	H	0.0000
259	V	H	0.0000
260	V	H	-0.8565
261	D	H	-1.9426
262	V	H	0.0000
263	S	H	-1.9808
264	H	H	-2.0835
265	E	H	-2.8716
266	D	H	-2.4340
267	P	H	-2.3229
268	E	H	-2.9219
269	V	H	-1.8562
270	K	H	-2.1479
271	F	H	-1.2067
272	N	H	-1.3498
273	W	H	0.0000
274	Y	H	-1.0801
275	V	H	-0.8948
276	D	H	-1.9321
277	G	H	-0.7590
278	V	H	0.4601
279	E	H	-1.3788
280	V	H	-0.8818
281	H	H	-2.0536
282	N	H	-2.1932
283	A	H	-1.6696
284	K	H	-2.4211
285	T	H	-1.8989
286	K	H	-2.5085
287	P	H	-2.3335
288	R	H	-3.6102
289	E	H	-4.0429
290	E	H	-3.3559
291	Q	H	-1.9925
292	Y	H	0.2596
293	N	H	-0.7469
294	S	H	-0.9715
295	T	H	0.0000
296	Y	H	-2.6493
297	R	H	-2.9448
298	V	H	0.0000
299	V	H	0.0000
300	S	H	0.0000
301	V	H	-0.7798
302	L	H	0.0000
303	T	H	-0.7404
304	V	H	0.0000
305	L	H	-0.0618
306	H	H	-0.5878
307	Q	H	-1.6363
308	D	H	-1.7444
309	W	H	0.0000
310	L	H	-1.2392
311	N	H	-2.1710
312	G	H	-2.0052
313	K	H	-2.0492
314	E	H	-2.2133
315	Y	H	0.0000
316	K	H	-1.5144
317	C	H	0.0000
318	K	H	-1.4777
319	V	H	0.0000
320	S	H	-1.3353
321	N	H	0.0000
322	K	H	-2.5353
323	A	H	-1.8152
324	L	H	0.0000
325	P	H	-0.6810
326	A	H	-0.5139
327	P	H	-0.6506
328	I	H	-0.4394
329	E	H	-1.5249
330	K	H	-1.0030
331	T	H	-0.8848
332	I	H	-0.1899
333	S	H	-1.0764
334	K	H	-1.2760
335	A	H	-0.9916
336	K	H	-2.2320
337	G	H	-1.7808
338	Q	H	-1.8105
339	P	H	-1.7007
340	R	H	-1.8539
341	E	H	-2.4353
342	P	H	0.0000
343	Q	H	-1.2198
344	V	H	0.0000
345	Y	H	0.0000
346	T	H	0.0000
347	L	H	0.0000
348	P	H	-0.4046
349	P	H	-0.8765
350	S	H	-1.3722
351	R	H	-2.4424
352	E	H	-2.3209
353	E	H	0.0000
354	M	H	-1.9048
355	T	H	-1.6843
356	K	H	-2.5515
357	N	H	-2.9644
358	Q	H	-3.0753
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	-0.5597
367	G	H	-1.0144
368	F	H	0.0000
369	Y	H	-0.8779
370	P	H	0.0000
371	S	H	-0.2506
372	D	H	-0.9236
373	I	H	-0.5033
374	A	H	-0.3810
375	V	H	-0.2295
376	E	H	-0.9662
377	W	H	0.0000
378	E	H	-1.5628
379	S	H	0.0000
380	N	H	-1.8109
381	G	H	-1.8622
382	Q	H	-2.2979
383	P	H	-1.9963
384	E	H	-1.9854
385	N	H	-2.3582
386	N	H	-2.0948
387	Y	H	-1.2938
388	K	H	-1.1009
389	T	H	-0.3523
390	T	H	0.0000
391	P	H	-0.2163
392	P	H	-0.0355
393	V	H	0.0000
394	L	H	0.2425
395	D	H	-0.7159
396	S	H	-1.2185
397	D	H	-1.8654
398	G	H	-0.8737
399	S	H	0.0000
400	F	H	0.0221
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	-1.3206
408	V	H	0.0000
409	D	H	-3.1412
410	K	H	-2.9658
411	S	H	-2.3923
412	R	H	-2.1677
413	W	H	0.0000
414	Q	H	-2.4112
415	Q	H	-2.1154
416	G	H	-1.1964
417	N	H	-0.6225
418	V	H	0.6701
419	F	H	0.0000
420	S	H	-0.6120
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	-1.2196
427	A	H	-1.5524
428	L	H	-1.5663
429	H	H	-1.8874
430	N	H	-1.8201
431	H	H	-1.3953
432	Y	H	-0.5566
433	T	H	-0.7446
434	Q	H	-0.9970
435	K	H	-0.9389
436	S	H	-0.3384
437	L	H	0.0000
438	S	H	0.0153
439	L	H	-0.2362
440	S	H	-0.4305
441	P	H	-0.4954
442	G	H	-0.8502
1	D	L	-2.1616
2	I	L	-1.4445
3	Q	L	-1.7470
4	M	L	0.0000
5	T	L	-0.9106
6	Q	L	0.0000
7	S	L	-0.4835
8	P	L	-0.5870
9	S	L	-0.9530
10	S	L	-0.9404
11	L	L	-0.5390
12	S	L	-0.5283
13	A	L	-0.5977
14	S	L	-0.4633
15	V	L	0.4601
16	G	L	-0.7005
17	D	L	-1.5959
18	R	L	-2.2486
19	V	L	0.0000
20	T	L	-0.6215
21	I	L	0.0000
22	T	L	-0.6052
23	C	L	0.0000
24	S	L	-1.2145
25	A	L	0.0000
26	S	L	-1.1582
27	S	L	-0.9692
28	S	L	-0.6802
29	V	L	0.0000
31	S	L	-0.2790
32	Y	L	-0.2467
33	M	L	0.0000
34	N	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	-1.0119
38	Q	L	-1.2499
39	T	L	-1.2916
40	P	L	-1.2844
41	G	L	-1.5878
42	K	L	-2.5221
43	A	L	-1.6713
44	P	L	0.0000
45	K	L	-1.8543
46	R	L	0.0000
47	W	L	0.0000
48	I	L	0.0000
49	Y	L	0.0000
50	D	L	-0.3829
51	T	L	-0.4402
52	S	L	-0.6647
53	K	L	-0.6425
54	L	L	0.2128
55	A	L	0.0000
56	S	L	-0.2442
57	G	L	-0.4303
58	V	L	0.0000
59	P	L	-0.3243
60	S	L	-0.3597
61	R	L	-0.6561
62	F	L	0.0000
63	S	L	-0.3763
64	G	L	-0.4248
65	S	L	-0.8081
66	G	L	-1.0222
67	S	L	-1.0623
68	G	L	-1.0688
69	T	L	-1.2940
70	D	L	-2.1126
71	Y	L	0.0000
72	T	L	-0.6650
73	F	L	0.0000
74	T	L	-0.5850
75	I	L	0.0000
76	S	L	-1.3153
77	S	L	-1.1165
78	L	L	0.0000
79	Q	L	-0.8181
80	P	L	-0.8466
81	E	L	-1.6788
82	D	L	0.0000
83	I	L	-0.3540
84	A	L	0.0000
85	T	L	0.0000
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	W	L	-0.0303
92	S	L	-0.2486
93	S	L	-0.7334
94	N	L	-1.0756
95	P	L	-1.0622
96	F	L	0.0000
97	T	L	-0.7429
98	F	L	-0.3074
99	G	L	0.0000
100	Q	L	-1.6674
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.7993
104	L	L	0.0000
105	Q	L	-0.9581
106	I	L	0.0000
107	T	L	-0.6311
108	R	L	-1.5000
109	T	L	-0.2429
110	V	L	1.0334
111	A	L	0.1707
112	A	L	0.0629
113	P	L	0.0000
114	S	L	-0.1523
115	V	L	0.0000
116	F	L	-0.0317
117	I	L	0.1374
118	F	L	0.0000
119	P	L	-0.5450
120	P	L	0.0000
121	S	L	-1.6316
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124	Q	D	0.0000
125	L	D	-1.8275
126	K	D	-2.4659
127	S	D	-1.6118
128	G	D	-1.2419
129	T	D	-1.0304
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	-0.9500
139	F	D	0.0000
140	Y	D	0.0000
141	P	D	-1.1498
142	R	D	-2.3917
143	E	D	-2.8580
144	A	D	-2.2185
145	K	D	-2.4713
146	V	D	-1.2257
147	Q	D	-0.8257
148	W	D	0.0000
149	K	D	-0.8217
150	V	D	0.0000
151	D	D	-1.8207
152	N	D	-1.5269
153	A	D	-0.3075
154	L	D	0.7386
155	Q	D	-0.4365
156	S	D	-0.7189
157	G	D	-1.3031
158	N	D	-1.6076
159	S	D	-1.6314
160	Q	D	-1.8408
161	E	D	-2.1713
162	S	D	-0.8777
163	V	D	-0.9302
164	T	D	-1.1608
165	E	D	-2.3374
166	Q	D	-2.1205
167	D	D	-2.1345
168	S	D	-1.8202
169	K	D	-2.5674
170	D	D	-2.1546
171	S	D	-1.7888
172	T	D	0.0000
173	Y	D	-1.3783
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	-0.5575
181	L	D	-0.8264
182	S	D	-1.3494
183	K	D	-2.3961
184	A	D	-1.9586
185	D	D	-3.0334
186	Y	D	0.0000
187	E	D	-3.3972
188	K	D	-3.6173
189	H	D	-3.1617
190	K	D	-2.9957
191	V	D	-1.6941
192	Y	D	0.0000
193	A	D	-0.8183
194	C	D	0.0000
195	E	D	-0.8550
196	V	D	0.0000
197	T	D	-1.2488
198	H	D	0.0000
199	Q	D	-1.5896
200	G	D	-0.3604
201	L	D	-0.3418
202	S	D	-0.6401
203	S	D	-0.6459
204	P	D	-0.5403
205	V	D	0.0084
206	T	D	-0.4866
207	K	D	-0.7571
208	S	D	-0.8180
209	F	D	0.0000
210	N	D	-2.0337
211	R	D	-2.1153
212	G	D	-2.0261
213	E	D	-2.1637
214	C	D	-0.9426