Project name: aaaa

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLDCKASGITFSNSGMHWVRQAPGKGLEWVAVIWYDGSKRYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCATNDDYWGQGTLVTVSSASTKGPSVFPLAPCSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK; L: STGEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQSSNWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE; G: LDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPERFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAEL
Selected Chain(s)	H,L,G
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                                          (00:08:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:04)

• Minimal score value: -4.5516
• Maximal score value: 2.0129
• Average score: -0.8072
• Total score value: -430.2203

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	-1.3866
2	V	H	-0.7631
3	Q	H	-1.5093
4	L	H	0.0000
5	V	H	-0.4289
6	E	H	0.0000
7	S	H	-0.5182
8	G	H	-0.6244
9	G	H	-0.2899
10	G	H	0.2008
11	V	H	0.4901
12	V	H	0.0000
13	Q	H	-1.9405
14	P	H	-2.1410
15	G	H	-2.1819
16	R	H	-2.7983
17	S	H	-1.9899
18	L	H	-1.1900
19	R	H	-1.5184
20	L	H	0.0000
21	D	H	-0.8096
22	C	H	0.0000
23	K	H	-1.5593
24	A	H	0.0000
25	S	H	-1.0159
26	G	H	-1.0543
27	I	H	-0.5774
28	T	H	-0.5195
29	F	H	0.0000
30	S	H	-1.2207
31	N	H	-0.8951
32	S	H	0.0000
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	-0.7897
40	A	H	-1.1704
41	P	H	-0.9427
42	G	H	-1.5220
43	K	H	-2.3948
44	G	H	-1.6172
45	L	H	0.0000
46	E	H	-1.1248
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	V	H	0.0000
51	I	H	0.0000
52	W	H	0.0000
53	Y	H	-1.4591
54	D	H	-2.4248
55	G	H	-1.8002
56	S	H	-1.4499
57	K	H	-1.7966
58	R	H	-1.4407
59	Y	H	-0.6366
60	Y	H	-0.9292
61	A	H	0.0000
62	D	H	-2.6210
63	S	H	-1.8232
64	V	H	0.0000
65	K	H	-2.5434
66	G	H	-1.7748
67	R	H	-1.3980
68	F	H	0.0000
69	T	H	-0.9134
70	I	H	0.0000
71	S	H	-0.5182
72	R	H	-1.2585
73	D	H	-1.9095
74	N	H	-2.1026
75	S	H	-1.7437
76	K	H	-2.6601
77	N	H	-2.0695
78	T	H	-1.6051
79	L	H	0.0000
80	F	H	-0.4407
81	L	H	0.0000
82	Q	H	-1.1438
83	M	H	0.0000
84	N	H	-1.7730
85	S	H	-1.7183
86	L	H	0.0000
87	R	H	-2.5586
88	A	H	-1.7355
89	E	H	-2.2415
90	D	H	0.0000
91	T	H	-0.6376
92	A	H	0.0000
93	V	H	0.2568
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	T	H	0.0000
99	N	H	0.0000
100	D	H	-0.5289
101	D	H	0.0000
102	Y	H	-0.2600
103	W	H	-0.3963
104	G	H	0.0000
105	Q	H	-1.4914
106	G	H	-0.6389
107	T	H	-0.0859
108	L	H	0.4374
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-0.8458
113	S	H	-0.5794
114	A	H	-0.4839
115	S	H	-0.6047
116	T	H	-0.7811
117	K	H	-1.6727
118	G	H	-1.6113
119	P	H	-0.7456
120	S	H	-0.5168
121	V	H	0.0000
122	F	H	0.0000
123	P	H	-1.2497
124	L	H	0.0000
125	A	H	-1.0294
126	P	H	0.0000
127	C	H	0.2994
134	S	H	-0.3635
135	T	H	-0.2303
136	A	H	0.0000
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	-0.6391
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	0.0000
148	E	H	-0.4412
149	P	H	-0.7716
150	V	H	-0.5614
151	T	H	-0.6090
152	V	H	-0.2117
153	S	H	-0.5149
154	W	H	0.0000
155	N	H	-1.0101
156	S	H	-0.7883
157	G	H	-0.6091
158	A	H	-0.2795
159	L	H	-0.1297
160	T	H	-0.1981
161	S	H	-0.3888
162	G	H	-0.2760
163	V	H	0.1992
164	H	H	0.0000
165	T	H	-0.1252
166	F	H	0.0000
167	P	H	-0.5011
168	A	H	0.0680
169	V	H	0.3275
170	L	H	1.0421
171	Q	H	0.2410
172	S	H	-0.0440
173	S	H	-0.2034
174	G	H	0.0098
175	L	H	-0.0313
176	Y	H	0.2362
177	S	H	0.0000
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	-0.1323
184	V	H	0.0000
185	P	H	-0.5003
186	S	H	-0.2558
187	S	H	-0.5412
188	S	H	-0.6321
189	L	H	-0.6606
190	G	H	-0.9842
191	T	H	-0.8682
192	K	H	-1.6120
193	T	H	-1.4237
194	Y	H	0.0000
195	T	H	-1.8510
196	C	H	0.0000
197	N	H	-1.7331
198	V	H	0.0000
199	D	H	-1.9872
200	H	H	0.0000
201	K	H	-2.7578
202	P	H	-1.7520
203	S	H	-1.9878
204	N	H	-2.6179
205	T	H	-2.1685
206	K	H	-2.7287
207	V	H	-1.8907
208	D	H	-2.8113
209	K	H	-2.3935
210	R	H	-2.9540
211	V	H	0.0000
212	E	H	-2.8452
213	S	H	-1.7262
214	K	H	-2.3060
-2	S	L	-0.3621
-1	T	L	-0.8811
0	G	L	-1.4820
1	E	L	-2.0888
2	I	L	0.0000
3	V	L	0.3819
4	L	L	0.0000
5	T	L	-0.7620
6	Q	L	0.0000
7	S	L	-0.7457
8	P	L	-0.2910
9	A	L	-0.3427
10	T	L	-0.1612
11	L	L	-0.0745
12	S	L	-0.4738
13	L	L	-0.8584
14	S	L	-1.1720
15	P	L	-1.5459
16	G	L	-1.7077
17	E	L	-2.1722
18	R	L	-2.5747
19	A	L	0.0000
20	T	L	-0.6530
21	L	L	0.0000
22	S	L	-0.9536
23	C	L	0.0000
24	R	L	-2.4207
25	A	L	0.0000
26	S	L	-1.1243
27	Q	L	-1.7067
28	S	L	-1.2107
29	V	L	0.0000
30	S	L	-0.5668
31	S	L	-0.5009
32	Y	L	0.1352
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	K	L	-1.4047
40	P	L	-1.3941
41	G	L	-1.4806
42	Q	L	-2.1228
43	A	L	-1.4335
44	P	L	0.0000
45	R	L	-1.3255
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-1.0907
50	D	L	-1.5404
51	A	L	0.0000
52	S	L	-1.3925
53	N	L	-1.9863
54	R	L	-1.8153
55	A	L	0.0000
56	T	L	-0.6307
57	G	L	-0.5916
58	I	L	0.0000
59	P	L	-0.4622
60	A	L	-0.3915
61	R	L	-0.8182
62	F	L	0.0000
63	S	L	-0.7450
64	G	L	-0.9154
65	S	L	-1.0085
66	G	L	-1.3019
67	S	L	-1.1169
68	G	L	-1.0877
69	T	L	-1.8075
70	D	L	-2.3274
71	F	L	0.0000
72	T	L	-0.8401
73	L	L	0.0000
74	T	L	-0.6155
75	I	L	0.0000
76	S	L	-1.3237
77	S	L	-1.6835
78	L	L	0.0000
79	E	L	-2.1530
80	P	L	-1.6048
81	E	L	-2.2542
82	D	L	0.0000
83	F	L	-0.5221
84	A	L	-0.3646
85	V	L	-0.0665
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	S	L	-0.3672
92	S	L	-0.5729
93	N	L	-1.1504
94	W	L	-0.5736
95	P	L	-0.8308
96	R	L	0.0000
97	T	L	-0.2778
98	F	L	-0.0460
99	G	L	0.0000
100	Q	L	-1.4160
101	G	L	-0.9056
102	T	L	0.0000
103	K	L	-0.4483
104	V	L	0.0000
105	E	L	0.0000
106	I	L	-0.5208
107	K	L	-1.1965
108	R	L	-0.8810
109	T	L	-0.1129
110	V	L	0.2870
111	A	L	-0.0700
112	A	L	-0.1470
113	P	L	0.0000
114	S	L	-0.0952
115	V	L	0.0000
116	F	L	0.2559
117	I	L	0.2456
118	F	L	0.0000
119	P	L	-0.6491
120	P	L	-0.8140
121	S	L	-1.8172
122	D	L	-3.0973
123	E	L	-2.9500
124	Q	L	0.0000
125	L	L	-2.1033
126	K	L	-2.8574
127	S	L	-1.8691
128	G	L	-1.1851
129	T	L	-1.1541
130	A	L	0.0000
131	S	L	0.0000
132	V	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	L	L	0.0000
137	N	L	0.0000
138	N	L	-0.8404
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.7057
142	R	L	-2.9648
143	E	L	-3.1736
144	A	L	-2.2719
145	K	L	-2.4036
146	V	L	-1.1339
147	Q	L	-0.6579
148	W	L	0.0000
149	K	L	-0.5801
150	V	L	0.0000
151	D	L	-1.9545
152	N	L	-1.3810
153	A	L	-0.2762
154	L	L	0.6648
155	Q	L	-0.2901
156	S	L	-0.6655
157	G	L	-1.3227
158	N	L	-1.6703
159	S	L	-1.5841
160	Q	L	-1.6238
161	E	L	-1.9459
162	S	L	-0.8830
163	V	L	-0.8852
164	T	L	0.0000
165	E	L	-2.2312
166	Q	L	-1.7627
167	D	L	-1.7768
168	S	L	-1.6329
169	K	L	-2.1920
170	D	L	-1.5778
171	S	L	-1.5445
172	T	L	0.0000
173	Y	L	0.0000
174	S	L	0.0000
175	L	L	0.0000
176	S	L	0.0000
177	S	L	0.0000
178	T	L	-0.7948
179	L	L	0.0000
180	T	L	-0.6870
181	L	L	-0.9568
182	S	L	-1.2323
183	K	L	-2.2480
184	A	L	-2.0927
185	D	L	-2.9878
186	Y	L	0.0000
187	E	L	-3.5725
188	K	L	-3.7052
189	H	L	-2.9039
190	K	L	-2.6656
191	V	L	-1.2048
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.8857
196	V	L	0.0000
197	T	L	-1.2389
198	H	L	0.0000
199	Q	L	-1.7499
200	G	L	-0.4945
201	L	L	-0.2672
202	S	L	-0.4849
203	S	L	-0.4290
204	P	L	-0.5669
205	V	L	-0.0142
206	T	L	-0.4917
207	K	L	-0.6288
208	S	L	-0.5381
209	F	L	-0.9398
210	N	L	-1.9500
211	R	L	-2.3306
212	G	L	-2.0342
213	E	L	-2.4826
25	L	G	0.2652
26	D	G	-1.2299
27	S	G	-0.7249
28	P	G	0.0000
29	D	G	-1.1806
30	R	G	-1.2727
31	P	G	-0.7967
32	W	G	-1.0588
33	N	G	-1.7152
34	P	G	-1.0658
35	P	G	0.0000
36	T	G	-0.4429
37	F	G	0.0000
38	S	G	-0.1707
39	P	G	0.1132
40	A	G	0.1254
41	L	G	1.0472
42	L	G	1.4300
43	V	G	2.0129
44	V	G	0.3795
45	T	G	-1.6879
46	E	G	-3.7646
47	G	G	-3.7173
48	D	G	-3.7253
49	N	G	-2.7643
50	A	G	0.0000
51	T	G	-0.3948
52	F	G	0.0000
53	T	G	-0.2833
54	C	G	0.0000
55	S	G	-0.7325
56	F	G	0.0000
57	S	G	-1.2610
58	N	G	-1.5259
59	T	G	-0.9973
60	S	G	-1.0306
61	E	G	-1.7922
62	S	G	-0.5049
63	F	G	0.3415
64	V	G	0.5914
65	L	G	0.0000
66	N	G	0.0000
67	W	G	0.0000
68	Y	G	-1.5585
69	R	G	-2.0996
70	M	G	-2.0604
71	S	G	-1.4974
72	P	G	-1.0768
73	S	G	-1.3298
74	N	G	-2.2817
75	Q	G	-2.3934
76	T	G	-2.3280
77	D	G	-3.0668
78	K	G	-2.4853
79	L	G	-1.4854
80	A	G	-1.3027
81	A	G	-0.7013
82	F	G	-0.3849
83	P	G	-0.7095
84	E	G	-1.8494
94	R	G	-2.1850
95	F	G	-1.2949
96	R	G	-2.0071
97	V	G	-0.9635
98	T	G	-0.9358
99	Q	G	-1.1981
100	L	G	-1.0957
101	P	G	-1.3303
102	N	G	-2.1344
103	G	G	-2.0673
104	R	G	-2.4096
105	D	G	-1.5514
106	F	G	0.0000
107	H	G	-0.7115
108	M	G	0.0000
109	S	G	0.0000
110	V	G	0.0000
111	V	G	-2.4849
112	R	G	-4.1057
113	A	G	0.0000
114	R	G	-4.5516
115	R	G	-4.0849
116	N	G	-2.8702
117	D	G	0.0000
118	S	G	-1.6920
119	G	G	-1.1796
120	T	G	-1.2100
121	Y	G	0.0000
122	L	G	0.0000
123	C	G	0.0000
124	G	G	0.0000
125	A	G	0.0000
126	I	G	0.8036
127	S	G	0.4663
128	L	G	0.6254
129	A	G	0.0000
130	P	G	-0.5247
131	K	G	-0.9380
132	A	G	-0.1972
133	Q	G	0.1359
134	I	G	0.8775
135	K	G	-0.7567
136	E	G	-1.6461
137	S	G	0.0000
138	L	G	0.1787
139	R	G	-1.3380
140	A	G	0.0000
141	E	G	-1.2902
142	L	G	0.0745