Project name: 3e4f3d85233c937

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGSLPQGFSSYSLGWFRQAPGQGLEAVAAISGDGSETYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAHYSTQLVGGEKSFYQYWGQGTLVTVS; T: DIVLTQSPASLSASVGETVTITCRASGNIHNYLAWYQQKQGKSPQLLVYYTTTLADGVPSRFSGSGSGTQYSLKINSLQPEDFGSYYCQHFWSTPRTFGGGTKLEIKQVQLQESGPGLVAPSQSLSITCTVSGFSLTGYGVNWVRQPPGKGLEWLGMIWGDGNTDYNSALKSRLSISKDNSKSQVFLKMNSLHTDDTARYYCARERDYRLDYWGQGTTLTVSSKVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Selected Chain(s)	H,T
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:21)

• Minimal score value: -3.0146
• Maximal score value: 1.6964
• Average score: -0.6887
• Total score value: -329.9085

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	-1.6039
2	V	H	-1.1041
3	Q	H	-1.1161
4	L	H	0.0000
5	V	H	0.4956
6	E	H	0.0000
7	S	H	-0.3344
8	G	H	-0.6152
9	G	H	0.1466
10	G	H	0.6993
11	L	H	1.3943
12	V	H	-0.0876
13	Q	H	-1.4110
14	P	H	-1.8527
15	G	H	-1.6666
16	G	H	-1.1931
17	S	H	-1.4432
18	L	H	-1.0658
19	R	H	-2.3162
20	L	H	0.0000
21	S	H	-0.5713
22	C	H	0.0000
23	A	H	-0.2907
24	A	H	-0.5140
25	S	H	-0.9131
26	G	H	-1.2479
27	S	H	-1.1710
28	L	H	-0.9458
29	P	H	-1.0192
30	Q	H	-1.3386
31	G	H	-1.0543
32	F	H	0.0000
33	S	H	-1.1518
34	S	H	0.0000
35	Y	H	0.0000
36	S	H	0.0000
37	L	H	0.0000
38	G	H	0.0000
39	W	H	0.0000
40	F	H	0.0000
41	R	H	-0.7449
42	Q	H	-1.1426
43	A	H	-1.2120
44	P	H	-0.9637
45	G	H	-1.3217
46	Q	H	-2.0467
47	G	H	-1.7159
48	L	H	-1.4567
49	E	H	-2.0814
50	A	H	0.0000
51	V	H	0.0000
52	A	H	0.0000
53	A	H	0.0000
54	I	H	0.0000
55	S	H	0.0000
56	G	H	0.0000
57	D	H	-2.4931
58	G	H	-1.9209
59	S	H	-1.6683
60	E	H	-1.9963
61	T	H	-0.6297
62	Y	H	-0.2391
63	Y	H	-0.7690
64	A	H	0.0000
65	D	H	-2.4966
66	S	H	-1.8712
67	V	H	0.0000
68	K	H	-2.6303
69	G	H	-1.9291
70	R	H	-1.9452
71	F	H	0.0000
72	T	H	-1.0838
73	I	H	0.0000
74	S	H	-0.9361
75	R	H	-1.3966
76	D	H	-2.0405
77	N	H	-2.0752
78	S	H	-1.7005
79	K	H	-2.4187
80	N	H	-1.7592
81	T	H	-1.1221
82	L	H	0.0000
83	Y	H	0.0000
84	L	H	0.0000
85	Q	H	-1.7317
86	M	H	0.0000
87	N	H	-2.2762
88	S	H	-1.7194
89	L	H	0.0000
90	R	H	-3.0146
91	A	H	-2.0427
92	E	H	-2.4700
93	D	H	0.0000
94	T	H	-0.5635
95	A	H	0.0000
96	V	H	0.6600
97	Y	H	0.0000
98	Y	H	0.0005
99	C	H	0.0000
100	A	H	0.0000
101	A	H	0.0000
102	H	H	0.0000
103	Y	H	0.5563
104	S	H	0.0000
105	T	H	-0.5124
106	Q	H	-1.0287
107	L	H	-0.7965
108	V	H	0.0000
109	G	H	-0.5589
110	G	H	-0.6609
111	E	H	-1.5843
112	K	H	-1.3026
113	S	H	-1.1125
114	F	H	0.0000
115	Y	H	0.0000
116	Q	H	0.1449
117	Y	H	0.1226
118	W	H	-0.0724
119	G	H	-0.3683
120	Q	H	-1.1468
121	G	H	0.0000
122	T	H	0.5582
123	L	H	1.6964
124	V	H	0.0000
125	T	H	0.2722
126	V	H	0.0000
127	S	H	-0.8897
128	D	T	-1.3071
129	I	T	-0.1012
130	V	T	1.0686
131	L	T	0.0000
132	T	T	-0.5190
133	Q	T	-0.5639
134	S	T	-0.6321
135	P	T	-0.3770
136	A	T	-0.4127
137	S	T	-0.6860
138	L	T	-0.1484
139	S	T	-0.1016
140	A	T	0.1036
141	S	T	0.1940
142	V	T	0.5725
143	G	T	-0.8735
144	E	T	-1.6866
145	T	T	-1.1361
146	V	T	-0.6803
147	T	T	-0.3631
148	I	T	0.0000
149	T	T	-0.9068
150	C	T	0.0000
151	R	T	-2.0470
152	A	T	0.0000
153	S	T	-0.6074
154	G	T	-0.9431
155	N	T	-1.5482
156	I	T	0.0000
157	H	T	-0.7225
158	N	T	-0.8067
159	Y	T	0.0000
160	L	T	0.0000
161	A	T	0.0000
162	W	T	0.0000
163	Y	T	0.0000
164	Q	T	-0.9567
165	Q	T	0.0000
166	K	T	-2.4238
167	Q	T	-2.2605
168	G	T	-2.1166
169	K	T	-2.6775
170	S	T	-1.5853
171	P	T	0.0000
172	Q	T	-0.8512
173	L	T	0.0000
174	L	T	0.0000
175	V	T	0.0000
176	Y	T	0.0000
177	Y	T	-0.0984
178	T	T	0.0000
179	T	T	-0.0866
180	T	T	0.0000
181	L	T	0.0000
182	A	T	0.0000
183	D	T	-2.1857
184	G	T	-1.4255
185	V	T	0.0000
186	P	T	-0.5805
187	S	T	-0.4305
188	R	T	-0.9236
189	F	T	0.0000
190	S	T	-0.4587
191	G	T	0.0000
192	S	T	-0.7860
193	G	T	-1.1916
194	S	T	-1.0240
195	G	T	-1.3200
196	T	T	-1.7533
197	Q	T	-2.2296
198	Y	T	0.0000
199	S	T	-0.9043
200	L	T	0.0000
201	K	T	-0.9996
202	I	T	0.0000
203	N	T	-1.3845
204	S	T	-1.2943
205	L	T	0.0000
206	Q	T	-0.9398
207	P	T	-0.8129
208	E	T	-1.8147
209	D	T	0.0000
210	F	T	0.0000
211	G	T	0.0000
212	S	T	-1.0442
213	Y	T	0.0000
214	Y	T	0.0000
215	C	T	0.0000
216	Q	T	0.0000
217	H	T	0.0000
218	F	T	0.0000
219	W	T	-0.1503
220	S	T	-0.3254
221	T	T	-0.4276
222	P	T	-0.3975
223	R	T	0.0000
224	T	T	0.0784
225	F	T	0.2037
226	G	T	0.0000
227	G	T	-0.6918
228	G	T	-0.8406
229	T	T	0.0000
230	K	T	-1.3531
231	L	T	0.0000
232	E	T	-0.4667
233	I	T	1.4075
234	K	T	0.0000
235	Q	T	-1.5049
236	V	T	-0.8805
237	Q	T	-1.6808
238	L	T	0.0000
239	Q	T	-1.7252
240	E	T	0.0000
241	S	T	-0.7987
242	G	T	-0.3914
243	P	T	-0.0382
244	G	T	0.2833
245	L	T	1.3466
246	V	T	0.0000
247	A	T	-0.3217
248	P	T	-1.1903
249	S	T	-1.1365
250	Q	T	-1.4945
251	S	T	-1.5983
252	L	T	0.0000
253	S	T	-0.9313
254	I	T	0.0000
255	T	T	-0.5334
256	C	T	0.0000
257	T	T	-1.1233
258	V	T	0.0000
259	S	T	-1.2911
260	G	T	-1.0883
261	F	T	-0.4374
262	S	T	-0.5236
263	L	T	0.0000
264	T	T	-1.1460
265	G	T	-1.1602
266	Y	T	-0.4029
267	G	T	0.0000
268	V	T	0.0000
269	N	T	0.0000
270	W	T	0.0000
271	V	T	0.0000
272	R	T	0.0000
273	Q	T	-1.1806
274	P	T	-1.5048
275	P	T	-1.1698
276	G	T	-1.4370
277	K	T	-2.1521
278	G	T	-1.3498
279	L	T	0.0000
280	E	T	-0.9524
281	W	T	0.0000
282	L	T	0.0000
283	G	T	0.0000
284	M	T	0.0000
285	I	T	0.0000
286	W	T	0.0000
287	G	T	-1.5613
288	D	T	-2.6869
289	G	T	-2.1097
290	N	T	-2.1305
291	T	T	-1.1916
292	D	T	-1.0340
293	Y	T	-0.8211
294	N	T	-1.0813
295	S	T	-1.1273
296	A	T	-0.5775
297	L	T	-1.0216
298	K	T	-1.9746
299	S	T	-1.3893
300	R	T	-1.5906
301	L	T	0.0000
302	S	T	-1.1354
303	I	T	0.0000
304	S	T	-0.9839
305	K	T	-1.4489
306	D	T	-2.2692
307	N	T	-2.5623
308	S	T	-2.0258
309	K	T	-2.6509
310	S	T	-1.9639
311	Q	T	-1.6559
312	V	T	0.0000
313	F	T	-0.3646
314	L	T	0.0000
315	K	T	-1.4919
316	M	T	0.0000
317	N	T	-2.2397
318	S	T	-1.4645
319	L	T	0.0000
320	H	T	-1.9225
321	T	T	-1.4587
322	D	T	-2.1709
323	D	T	0.0000
324	T	T	-0.8398
325	A	T	0.0000
326	R	T	-0.9463
327	Y	T	0.0000
328	Y	T	0.0000
329	C	T	0.0000
330	A	T	0.0000
331	R	T	0.0000
332	E	T	0.0000
333	R	T	-0.6951
334	D	T	-0.8668
335	Y	T	0.0000
336	R	T	-0.4080
337	L	T	0.0000
338	D	T	-0.2667
339	Y	T	0.3088
340	W	T	-0.2454
341	G	T	0.0000
342	Q	T	-1.9717
343	G	T	-1.3154
344	T	T	-0.8760
345	T	T	-0.4543
346	L	T	0.0000
347	T	T	0.0065
348	V	T	0.0000
349	S	T	-0.4183
350	S	T	0.0000
1	K	T	-1.4307
2	V	T	0.4037
3	F	T	-0.2885
4	G	T	-0.8867
5	R	T	-1.0222
6	C	T	-1.3291
7	E	T	-2.1390
8	L	T	0.0000
9	A	T	0.0000
10	A	T	-1.5842
11	A	T	-1.6154
12	M	T	0.0000
13	K	T	-1.7339
14	R	T	-2.3314
15	H	T	-1.6466
16	G	T	-1.0659
17	L	T	0.0000
18	D	T	-0.7963
19	N	T	0.0000
20	Y	T	0.0000
21	R	T	-1.0046
22	G	T	-0.6667
23	Y	T	0.0000
24	S	T	0.0000
25	L	T	0.0000
26	G	T	0.0000
27	N	T	0.0000
28	W	T	0.0000
29	V	T	0.0000
30	C	T	0.0000
31	A	T	0.0000
32	A	T	0.0000
33	K	T	-0.8887
34	F	T	-0.2932
35	E	T	-0.3924
36	S	T	0.0000
37	N	T	-1.1583
38	F	T	-0.6419
39	N	T	-0.9374
40	T	T	0.0000
41	Q	T	-1.3741
42	A	T	-1.0900
43	T	T	-1.3520
44	N	T	-2.0353
45	R	T	-2.8087
46	N	T	-2.1313
47	T	T	-1.2123
48	D	T	-1.5551
49	G	T	-1.6435
50	S	T	0.0000
51	T	T	0.0000
52	D	T	-1.1517
53	Y	T	0.0000
54	G	T	0.0000
55	I	T	0.0000
56	L	T	0.0000
57	Q	T	0.0000
58	I	T	0.0000
59	N	T	0.0000
60	S	T	0.0000
61	R	T	-1.2170
62	W	T	-0.0894
63	W	T	-0.3131
64	C	T	0.0000
65	N	T	-1.8618
66	D	T	-1.6099
67	G	T	-1.8973
68	R	T	-2.4947
69	T	T	0.0000
70	P	T	-1.5823
71	G	T	-1.4504
72	S	T	-1.6901
73	R	T	-1.9516
74	N	T	-1.2639
75	L	T	-0.3473
76	C	T	0.0000
77	N	T	-1.2886
78	I	T	-0.6113
79	P	T	-0.8423
80	C	T	0.0000
81	S	T	-0.4486
82	A	T	-0.3556
83	L	T	0.0000
84	L	T	-0.8620
85	S	T	-1.2603
86	S	T	-1.5498
87	D	T	-2.1015
88	I	T	0.0000
89	T	T	-0.9686
90	A	T	-0.4397
91	S	T	0.0000
92	V	T	0.0000
93	N	T	-0.9009
94	C	T	0.0000
95	A	T	0.0000
96	K	T	0.0000
97	K	T	-1.5828
98	I	T	0.0000
99	V	T	0.0000
100	S	T	-1.5116
101	D	T	-2.0513
102	G	T	-1.5176
103	N	T	-1.8709
104	G	T	-1.4153
105	M	T	0.0000
106	N	T	-0.8476
107	A	T	-0.0633
108	W	T	0.0000
109	V	T	0.6863
110	A	T	-0.5652
111	W	T	0.0000
112	R	T	-2.0129
113	N	T	-2.3804
114	R	T	-2.7601
115	C	T	0.0000
116	K	T	-2.1436
117	G	T	-1.6184
118	T	T	-1.5952
119	D	T	-0.8502
120	V	T	0.0000
121	Q	T	0.0000
122	A	T	-0.1608
123	W	T	-0.1796
124	I	T	0.0000
125	R	T	-0.7534
126	G	T	-0.9479
127	C	T	0.0000
128	R	T	-1.8015
129	L	T	-0.4591