Project name: 1HZH

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCQASGYRFSNFVIHWVRQAPGQRFEWMGWINPYNGNKEFSAKFQDRVTFTADTSANTAYMELRSLRSADTAVYYCARVGPYSWDDSPQDNYYMDVWGKGTTVIVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK; K: QVQLVQSGAEVKKPGASVKVSCQASGYRFSNFVIHWVRQAPGQRFEWMGWINPYNGNKEFSAKFQDRVTFTADTSANTAYMELRSLRSADTAVYYCARVGPYSWDDSPQDNYYMDVWGKGTTVIVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSCDKCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; M: EIVLTQSPGTLSLSPGERATFSCRSSHSIRSRRVAWYQHKPGQAPRLVIHGVSNRASGISDRFSGSGSGTDFTLTITRVEPEDFALYYCQVYGASSYTFGQGTKLERKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC; L: EIVLTQSPGTLSLSPGERATFSCRSSHSIRSRRVAWYQHKPGQAPRLVIHGVSNRASGISDRFSGSGSGTDFTLTITRVEPEDFALYYCQVYGASSYTFGQGTKLERKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC
Selected Chain(s)	H,K,M,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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:18:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:44)

• Minimal score value: -4.233
• Maximal score value: 1.5289
• Average score: -0.839
• Total score value: -1116.6997

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	-1.4950
2	V	H	-1.1159
3	Q	H	-1.1425
4	L	H	0.0000
5	V	H	0.6533
6	Q	H	0.0061
7	S	H	-0.7036
8	G	H	-0.6776
9	A	H	-0.6040
10	E	H	-1.2658
11	V	H	-0.2560
12	K	H	-1.7013
13	K	H	-2.4875
14	P	H	-2.3124
15	G	H	-1.9614
16	A	H	-1.5463
17	S	H	-1.7795
18	V	H	0.0000
19	K	H	-2.1279
20	V	H	0.0000
21	S	H	-0.4134
22	C	H	0.0000
23	Q	H	-0.7553
24	A	H	0.0000
25	S	H	-1.2597
26	G	H	-1.4447
27	Y	H	-1.5583
28	R	H	-2.3223
29	F	H	0.0000
30	S	H	-1.0829
31	N	H	-1.3996
32	F	H	-0.5235
33	V	H	0.0000
34	I	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	-0.9095
40	A	H	-0.8728
41	P	H	-0.9715
42	G	H	-1.4359
43	Q	H	-2.0793
44	R	H	-1.7909
45	F	H	0.0000
46	E	H	-0.9789
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	W	H	0.0000
51	I	H	0.0000
52	N	H	-1.1196
52A	P	H	-0.9112
53	Y	H	-0.0051
54	N	H	-1.3097
55	G	H	-1.4781
56	N	H	-2.1554
57	K	H	-1.9318
58	E	H	-1.2956
59	F	H	-1.1018
60	S	H	-1.1354
61	A	H	-1.4204
62	K	H	-2.2908
63	F	H	0.0000
64	Q	H	-2.3314
65	D	H	-2.7991
66	R	H	-2.1493
67	V	H	0.0000
68	T	H	-1.0868
69	F	H	0.0000
70	T	H	-0.5478
71	A	H	-0.7552
72	D	H	-1.0099
73	T	H	-0.8622
74	S	H	-0.6467
75	A	H	-0.7467
76	N	H	-1.3591
77	T	H	0.0000
78	A	H	0.0000
79	Y	H	-0.5154
80	M	H	0.0000
81	E	H	-1.5767
82	L	H	0.0000
82A	R	H	-2.2824
82B	S	H	-1.6403
82C	L	H	0.0000
83	R	H	-2.7069
84	S	H	-1.5520
85	A	H	-0.6428
86	D	H	0.0000
87	T	H	-0.2624
88	A	H	0.0000
89	V	H	0.0213
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	0.0000
95	V	H	0.0000
96	G	H	0.0000
97	P	H	-0.0042
98	Y	H	0.2780
99	S	H	-0.0287
100	W	H	0.2021
100A	D	H	-1.4977
100B	D	H	-1.2473
100C	S	H	-0.8740
100D	P	H	-0.7875
100E	Q	H	-0.6536
100F	D	H	-1.2114
100G	N	H	0.0000
100H	Y	H	0.0000
100I	Y	H	0.0000
100J	M	H	0.0000
101	D	H	-0.4000
102	V	H	-0.2051
103	W	H	0.0000
104	G	H	0.0000
105	K	H	-1.7880
106	G	H	-0.8744
107	T	H	0.0000
108	T	H	-0.3210
109	V	H	0.0000
110	I	H	-0.4728
111	V	H	0.0000
112	S	H	-1.2301
113	S	H	-1.1877
114	A	H	-0.7691
115	S	H	-0.7056
116	T	H	-0.7702
117	K	H	-1.3622
118	G	H	-1.3756
119	P	H	-0.6545
120	S	H	-0.1828
121	V	H	0.0000
122	F	H	-0.5315
123	P	H	-1.1943
124	L	H	0.0000
125	A	H	-1.1908
126	P	H	-1.0691
127	S	H	-1.4071
128	S	H	-1.2490
129	K	H	-1.9549
130	S	H	-1.3715
133	T	H	-1.0837
134	S	H	-0.8885
135	G	H	-0.8651
136	G	H	-0.8986
137	T	H	-0.5862
138	A	H	-0.5167
139	A	H	0.0000
140	L	H	0.0000
141	G	H	0.0000
142	C	H	0.0000
143	L	H	0.0000
144	V	H	0.0000
145	K	H	0.0000
146	D	H	-0.4253
147	Y	H	0.0000
148	F	H	0.0000
149	P	H	-0.5358
150	E	H	-0.9202
151	P	H	-0.8943
152	V	H	-0.7024
153	T	H	-0.5218
154	V	H	-0.0642
156	S	H	-0.2938
157	W	H	0.0000
162	N	H	-0.7068
163	S	H	-0.6005
164	G	H	-0.5914
165	A	H	-0.2730
166	L	H	-0.0415
167	T	H	-0.2031
168	S	H	-0.2105
169	G	H	-0.2374
171	V	H	0.1021
172	H	H	0.0100
173	T	H	0.1445
174	F	H	0.0000
175	P	H	-0.1205
176	A	H	0.1914
177	V	H	0.2212
178	L	H	1.0210
179	Q	H	0.1461
180	S	H	-0.0807
182	S	H	-0.2028
183	G	H	0.0129
184	L	H	0.0528
185	Y	H	0.4288
186	S	H	0.1157
187	L	H	0.0000
188	S	H	0.0000
189	S	H	0.0000
190	V	H	0.0000
191	V	H	0.0000
192	T	H	-0.1127
193	V	H	0.0000
194	P	H	-0.4690
195	S	H	-0.6198
196	S	H	-0.5106
197	S	H	-0.6333
198	L	H	-0.7869
199	G	H	-1.0159
200	T	H	-0.8163
203	Q	H	-1.4404
205	T	H	-1.2278
206	Y	H	0.0000
207	I	H	-1.0936
208	C	H	0.0000
209	N	H	-1.0730
210	V	H	0.0000
211	N	H	-1.5681
212	H	H	0.0000
213	K	H	-2.7830
214	P	H	-1.7368
215	S	H	-1.9264
216	N	H	-2.5997
217	T	H	-2.0691
218	K	H	-2.3763
219	V	H	-0.9633
220	D	H	-1.5286
221	K	H	-1.5296
222	K	H	-2.3270
225	A	H	0.0000
226	E	H	-2.9975
227	P	H	-2.0905
228	K	H	-2.6051
229	S	H	-1.8387
230	C	H	-1.4018
232	D	H	-3.0228
235	K	H	-3.3394
236	T	H	-2.3546
237	H	H	-2.3929
238	T	H	-1.4234
239	C	H	-0.2333
240	P	H	-0.4355
241	P	H	-0.0011
242	C	H	0.4046
243	P	H	-0.1472
244	A	H	-0.9229
245	P	H	-1.1053
246	E	H	-1.4088
247	L	H	1.1142
248	L	H	1.0847
249	G	H	-0.2082
250	G	H	-0.5352
251	P	H	0.0000
252	S	H	0.0787
253	V	H	0.0000
254	F	H	1.2650
255	L	H	1.0247
256	F	H	1.2608
257	P	H	-0.0733
258	P	H	0.0000
259	K	H	-2.1810
260	P	H	-1.3251
261	K	H	-0.9434
262	D	H	0.0000
263	T	H	0.0000
264	L	H	-0.2750
265	M	H	0.4432
266	I	H	1.3809
267	S	H	-0.0111
268	R	H	-1.4061
269	T	H	-0.7603
270	P	H	0.0000
271	E	H	-1.2384
272	V	H	0.0000
273	T	H	0.4973
274	C	H	0.0000
275	V	H	0.0000
276	V	H	0.0000
277	V	H	-0.8136
278	D	H	-1.2959
279	V	H	0.0000
280	S	H	-1.7851
281	H	H	-2.0488
282	E	H	-2.8526
283	D	H	-2.4049
284	P	H	-2.3489
285	E	H	-2.9309
286	V	H	-1.8546
287	K	H	-2.1315
288	F	H	-1.1990
289	N	H	-1.3490
290	W	H	0.0000
291	Y	H	-1.1141
292	V	H	-0.8520
295	D	H	-1.7903
296	G	H	-0.7680
299	V	H	0.4450
300	E	H	-1.4017
301	V	H	-0.9151
302	H	H	-2.0608
303	N	H	-2.2039
304	A	H	-1.6778
305	K	H	-2.4552
306	T	H	-1.9777
307	K	H	-2.6812
308	P	H	-2.5058
309	R	H	-3.9072
310	E	H	-4.2330
311	E	H	-3.4150
312	Q	H	-1.8484
313	Y	H	0.3423
314	N	H	-0.6594
317	S	H	-0.8896
318	T	H	0.0000
319	Y	H	0.0000
320	R	H	-3.2754
321	V	H	0.0000
322	V	H	0.0000
323	S	H	0.0000
324	V	H	-0.8274
325	L	H	0.0000
326	T	H	-0.7315
327	V	H	0.0000
328	L	H	-0.0253
329	H	H	-0.5855
330	Q	H	-1.6214
331	D	H	-1.6828
332	W	H	0.0000
333	L	H	-1.2895
334	N	H	-2.1917
335	G	H	-2.0306
336	K	H	-2.0586
337	E	H	-2.0922
338	Y	H	0.0000
339	K	H	-1.5727
340	C	H	0.0000
341	K	H	-1.5634
342	V	H	0.0000
343	S	H	-1.3056
344	N	H	0.0000
345	K	H	-2.5056
346	A	H	-1.6329
347	L	H	0.0000
348	P	H	-1.0899
349	A	H	-0.7041
350	P	H	-0.6463
351	I	H	-0.4508
352	E	H	-1.5856
353	K	H	-1.0984
354	T	H	-0.9034
355	I	H	-0.2185
357	S	H	-1.0693
358	K	H	-1.3273
359	A	H	-1.0413
360	K	H	-2.2601
361	G	H	-1.8130
363	Q	H	-1.8447
364	P	H	-1.7836
365	R	H	-1.9011
366	E	H	-2.4153
367	P	H	0.0000
368	Q	H	-1.1067
369	V	H	0.0000
370	Y	H	0.0000
371	T	H	0.0000
372	L	H	0.0000
373	P	H	-0.4338
374	P	H	-0.9138
375	S	H	-1.4979
376	R	H	-2.6301
377	D	H	-2.6632
378	E	H	0.0000
381	L	H	-1.6804
382	T	H	-1.4452
383	K	H	-1.9435
384	N	H	-2.5294
385	Q	H	-2.5771
386	V	H	0.0000
387	S	H	0.0000
388	L	H	0.0000
389	T	H	0.0000
390	C	H	0.0000
391	L	H	0.0000
392	V	H	0.0000
393	K	H	-0.3889
394	G	H	-0.9038
395	F	H	0.0000
396	Y	H	-0.8997
397	P	H	0.0000
398	S	H	-0.2712
399	D	H	-1.1822
400	I	H	0.0000
401	A	H	-0.5000
402	V	H	-0.2444
405	E	H	-0.8933
406	W	H	0.0000
407	E	H	-1.3484
408	S	H	0.0000
410	N	H	-1.6177
411	G	H	-1.5741
414	Q	H	-1.7055
415	P	H	-1.6862
416	E	H	-1.7979
417	N	H	-2.2668
418	N	H	-2.0852
419	Y	H	-1.2772
420	K	H	-1.1021
421	T	H	-0.3493
422	T	H	0.0000
423	P	H	-0.1038
424	P	H	0.1795
425	V	H	0.6630
426	L	H	1.0743
427	D	H	-0.3602
428	S	H	-1.0718
430	D	H	-1.7789
433	G	H	-0.7041
434	S	H	0.0000
435	F	H	0.3391
436	F	H	0.0000
437	L	H	0.0000
438	Y	H	0.0000
439	S	H	0.0000
440	K	H	0.0000
441	L	H	0.0000
442	T	H	-1.2350
443	V	H	0.0000
444	D	H	-2.8163
445	K	H	-2.5777
446	S	H	-2.1467
447	R	H	-1.9114
448	W	H	0.0000
449	Q	H	-2.3668
450	Q	H	-2.2710
451	G	H	-1.4271
452	N	H	-0.6707
453	V	H	0.6949
454	F	H	0.0000
455	S	H	-0.6171
456	C	H	0.0000
457	S	H	0.0000
458	V	H	0.0000
459	M	H	0.0000
460	H	H	0.0000
461	E	H	-1.3603
462	A	H	-1.6222
463	L	H	-1.5421
464	H	H	-1.8727
465	N	H	-1.7908
466	H	H	-1.3572
467	Y	H	-0.5411
468	T	H	-0.7216
469	Q	H	-1.0245
470	K	H	-0.9865
471	S	H	-0.3697
472	L	H	0.0000
473	S	H	0.0455
474	L	H	-0.5424
475	S	H	-0.7375
476	P	H	-0.9751
477	G	H	-1.6439
478	K	H	-2.4829
1	Q	K	-1.2236
2	V	K	-0.5965
3	Q	K	-0.8315
4	L	K	0.0000
5	V	K	-0.4735
6	Q	K	-0.7406
7	S	K	-0.9096
8	G	K	-0.6419
9	A	K	-0.2265
10	E	K	-0.4633
11	V	K	0.2126
12	K	K	-1.2623
13	K	K	-2.3327
14	P	K	-2.2920
15	G	K	-2.0509
16	A	K	-1.6613
17	S	K	-2.0514
18	V	K	0.0000
19	K	K	-2.1664
20	V	K	0.0000
21	S	K	-0.6811
22	C	K	0.0000
23	Q	K	-1.3190
24	A	K	0.0000
25	S	K	-1.1467
26	G	K	-1.1295
27	Y	K	-1.3689
28	R	K	-2.2800
29	F	K	0.0000
30	S	K	-1.1571
31	N	K	-1.4191
32	F	K	-0.3741
33	V	K	0.0000
34	I	K	0.0000
35	H	K	0.0000
36	W	K	0.0000
37	V	K	0.0000
38	R	K	0.0000
39	Q	K	-0.8431
40	A	K	-0.8587
41	P	K	-0.9617
42	G	K	-1.4306
43	Q	K	-2.0640
44	R	K	-1.7858
45	F	K	0.0000
46	E	K	-0.8992
47	W	K	0.0000
48	M	K	0.0000
49	G	K	0.0000
50	W	K	0.0000
51	I	K	0.0000
52	N	K	-1.1066
52A	P	K	0.0000
53	Y	K	-0.0015
54	N	K	-1.4962
55	G	K	-1.5681
56	N	K	-2.1500
57	K	K	-1.6507
58	E	K	-0.7343
59	F	K	-0.2534
60	S	K	0.0000
61	A	K	-1.2816
62	K	K	-2.2489
63	F	K	0.0000
64	Q	K	-2.3533
65	D	K	-3.0038
66	R	K	-2.5579
67	V	K	0.0000
68	T	K	-1.0890
69	F	K	0.0000
70	T	K	-0.4934
71	A	K	-0.5308
72	D	K	-1.1468
73	T	K	-0.8161
74	S	K	-0.6965
75	A	K	-0.9095
76	N	K	-1.6096
77	T	K	0.0000
78	A	K	0.0000
79	Y	K	-0.5140
80	M	K	0.0000
81	E	K	-1.5148
82	L	K	0.0000
82A	R	K	-3.0215
82B	S	K	-2.2849
82C	L	K	0.0000
83	R	K	-2.7602
84	S	K	-1.5078
85	A	K	-0.7106
86	D	K	0.0000
87	T	K	-0.3577
88	A	K	0.0000
89	V	K	-0.0054
90	Y	K	0.0000
91	Y	K	0.0000
92	C	K	0.0000
93	A	K	0.0000
94	R	K	0.0000
95	V	K	0.0000
96	G	K	0.0000
97	P	K	0.0500
98	Y	K	0.6627
99	S	K	0.1587
100	W	K	0.2912
100A	D	K	-1.4436
100B	D	K	-1.1310
100C	S	K	-0.8793
100D	P	K	-0.6269
100E	Q	K	-0.5591
100F	D	K	-1.2075
100G	N	K	0.0000
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117	I	M	0.0000
118	F	M	0.0000
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120	P	M	0.0000
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122	D	M	-2.7534
123	E	M	-2.4836
124	Q	M	0.0000
125	L	M	-2.1368
126	K	M	-2.7202
127	S	M	-1.7971
128	G	M	-1.3381
129	T	M	-1.1225
130	A	M	0.0000
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132	V	M	0.0000
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137	N	M	0.0000
138	N	M	-1.0022
139	F	M	0.0000
140	Y	M	0.0000
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142	R	M	-2.6425
143	E	M	-2.9752
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147	Q	M	-1.4372
148	W	M	0.0000
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151	D	M	-1.7272
152	N	M	-1.4539
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161	E	M	-2.2963
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165	E	M	-2.2206
166	Q	M	-1.9649
167	D	M	-1.9265
168	S	M	-1.8883
169	K	M	-2.4280
170	D	M	-1.9110
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185	D	M	-3.0167
186	Y	M	0.0000
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211	R	M	-2.0390
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213	E	M	-2.1290
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