Project name: 5F7E

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARERSDFWDFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKS; L: IQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYEFIGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
Selected Chain(s)	H,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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:50)

• Minimal score value: -3.9752
• Maximal score value: 1.2874
• Average score: -0.7049
• Total score value: -301.7005

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	-1.2271
2	V	H	-0.3710
3	Q	H	-0.8014
4	L	H	0.0000
5	V	H	0.4657
6	Q	H	-0.2725
7	S	H	-0.5588
8	G	H	-0.3931
9	A	H	-0.1400
10	E	H	-0.3033
11	V	H	0.1971
12	K	H	-0.9915
13	K	H	-1.9158
14	P	H	-2.2878
15	G	H	-2.2043
16	A	H	-1.4598
17	S	H	-1.6503
18	V	H	0.0000
19	K	H	-1.7282
20	V	H	0.0000
21	S	H	-0.5583
22	C	H	0.0000
23	K	H	-0.4485
24	A	H	0.0000
25	S	H	-0.3838
26	G	H	-0.7115
27	Y	H	-0.2539
28	T	H	-0.3059
29	F	H	0.0000
30	T	H	-0.7485
31	G	H	-0.5758
32	Y	H	-0.2200
33	Y	H	-0.1471
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	-0.6162
40	A	H	-0.9882
41	P	H	-0.8271
42	G	H	-1.2272
43	Q	H	-1.7122
44	G	H	-1.0562
45	L	H	0.0000
46	E	H	-0.6944
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	W	H	-0.2697
51	I	H	0.0000
52	N	H	-0.8600
52A	P	H	0.0000
53	N	H	-1.6743
54	S	H	-1.0942
55	G	H	-1.0048
56	G	H	-0.9203
57	T	H	-0.7197
58	N	H	-1.4546
59	Y	H	-1.3604
60	A	H	-1.6790
61	Q	H	-2.5842
62	K	H	-2.6835
63	F	H	0.0000
64	Q	H	-2.5180
65	G	H	-1.7683
66	R	H	-1.6641
67	V	H	0.0000
68	T	H	-0.8435
69	M	H	0.0000
70	T	H	-0.6009
71	R	H	-1.1422
72	D	H	-0.9172
72A	T	H	-0.4899
72B	S	H	0.0912
72C	I	H	0.7311
73	S	H	-0.1015
74	T	H	0.0000
75	A	H	0.0000
76	Y	H	-0.7541
77	M	H	0.0000
78	E	H	-1.3121
79	L	H	0.0000
80	S	H	-1.8853
81	R	H	-2.8106
82	L	H	0.0000
83	R	H	-3.3501
84	S	H	-2.3206
85	D	H	-2.5120
86	D	H	0.0000
87	T	H	-0.9481
88	A	H	0.0000
89	V	H	0.0745
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	E	H	-0.5623
96	R	H	-0.8896
97	S	H	-1.0224
98	D	H	-1.6375
99	F	H	-0.6740
100	W	H	0.0000
100A	D	H	0.0000
100B	F	H	0.0000
101	D	H	-0.7581
102	L	H	-0.5756
103	W	H	-0.6022
104	G	H	0.0000
105	R	H	-1.9508
106	G	H	0.0000
107	T	H	0.0000
108	L	H	0.1547
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-1.2065
113	S	H	-1.0481
114	A	H	-0.5320
115	S	H	-0.5969
116	T	H	-0.5636
117	K	H	-1.1702
118	G	H	-1.3053
119	P	H	0.0000
120	S	H	-0.3448
121	V	H	0.0000
122	F	H	0.0000
123	P	H	-1.2517
124	L	H	0.0000
125	A	H	-1.4726
126	P	H	0.0000
127	S	H	-1.2810
128	S	H	-1.0059
129	K	H	-1.2021
130	S	H	0.0000
131	T	H	-0.7387
132	S	H	-0.8298
133	G	H	-0.8599
134	G	H	-0.9098
135	T	H	-0.6179
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	-0.3703
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	0.0000
148	E	H	-0.4690
149	P	H	-0.7715
150	V	H	-0.6871
151	T	H	-0.5453
152	V	H	-0.3001
153	S	H	-0.3285
154	W	H	0.0000
155	N	H	-0.7195
156	S	H	-0.5904
157	G	H	-0.3708
158	A	H	-0.1855
159	L	H	0.0539
160	T	H	-0.1155
161	S	H	-0.1349
162	G	H	-0.1144
163	V	H	0.2351
164	H	H	-0.2592
165	T	H	0.0424
166	F	H	0.0000
167	P	H	-0.2895
168	A	H	0.1299
169	V	H	0.4325
170	L	H	1.2874
171	Q	H	0.3306
172	S	H	-0.1640
173	S	H	-0.1449
174	G	H	0.1021
175	L	H	0.1621
176	Y	H	0.4163
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	-0.0873
184	V	H	0.0000
185	P	H	-0.5412
186	S	H	-0.5991
187	S	H	-0.6078
188	S	H	-0.5845
189	L	H	-0.7435
190	G	H	-0.9100
191	T	H	-0.7100
192	Q	H	-1.1191
193	T	H	-1.1432
194	Y	H	0.0000
195	I	H	-1.2478
196	C	H	0.0000
197	N	H	-1.4149
198	V	H	0.0000
199	N	H	-1.7732
200	H	H	0.0000
201	K	H	-2.7639
202	P	H	-1.5623
203	S	H	-1.8226
204	N	H	-2.6012
205	T	H	-2.0336
206	K	H	-2.5675
207	V	H	-1.3385
208	D	H	-2.4923
209	K	H	-2.0527
210	R	H	-2.7107
211	V	H	0.0000
212	E	H	-2.9046
213	P	H	-2.1629
214	K	H	-2.3990
215	S	H	-1.3547
2	I	L	1.0193
3	Q	L	-0.4983
4	M	L	0.0000
5	T	L	-0.7441
6	Q	L	0.0000
7	S	L	-0.4730
8	P	L	-0.5238
9	S	L	-0.7133
10	S	L	-0.7369
11	L	L	-0.5229
12	S	L	-0.7731
13	A	L	0.0000
14	S	L	-0.8741
15	V	L	-0.0311
16	G	L	-0.7146
17	D	L	-1.7292
18	R	L	-2.2354
19	V	L	0.0000
20	T	L	-0.6315
21	I	L	0.0000
22	T	L	-0.7118
23	C	L	0.0000
24	Q	L	-2.1306
25	A	L	0.0000
26	S	L	-1.3208
27	Q	L	-2.1227
28	D	L	-2.5234
29	I	L	-0.6291
30	S	L	-0.9128
31	N	L	-1.6264
32	Y	L	-0.3751
33	L	L	0.0000
34	N	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	-1.4775
39	K	L	-1.9016
40	P	L	-1.5790
41	G	L	-1.7786
42	K	L	-2.8062
43	A	L	-1.9689
44	P	L	0.0000
45	K	L	-1.9187
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.1975
50	D	L	-0.8892
51	A	L	0.0000
52	S	L	-0.7452
53	N	L	-0.9269
54	L	L	-0.2452
55	E	L	-0.6081
56	T	L	-0.4132
57	G	L	-0.5291
58	V	L	0.0000
59	P	L	-0.4246
60	S	L	-0.4509
61	R	L	-0.7087
62	F	L	0.0000
63	S	L	-0.4492
64	G	L	-0.4730
65	S	L	-0.8780
66	G	L	-1.3167
67	S	L	-1.6305
68	G	L	-1.8412
69	T	L	-2.3183
70	D	L	-2.7377
71	F	L	0.0000
72	T	L	-0.7347
73	F	L	0.0000
74	T	L	-0.6009
75	I	L	0.0000
76	S	L	-1.2807
77	S	L	-1.0750
78	L	L	0.0000
79	Q	L	-0.7632
80	P	L	-1.3141
81	E	L	-1.8864
82	D	L	0.0000
83	I	L	-1.0056
84	A	L	0.0000
85	T	L	-0.8474
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	Y	L	0.2515
92	E	L	-0.2144
93	F	L	0.5096
94	I	L	0.0584
95	G	L	0.0000
96	P	L	-0.7812
97	G	L	0.0000
98	T	L	0.0000
99	K	L	-1.5055
100	V	L	0.0000
101	D	L	0.0000
102	I	L	0.0000
103	K	L	-1.6488
104	R	L	-1.0327
105	T	L	-0.1726
106	V	L	0.4352
107	A	L	0.1110
108	A	L	-0.0726
109	P	L	0.0000
110	S	L	-0.1204
111	V	L	-0.1649
112	F	L	0.0000
113	I	L	0.0000
114	F	L	0.0000
115	P	L	-0.8420
116	P	L	-0.6796
117	S	L	-1.5745
118	D	L	-2.6314
119	E	L	-2.2510
120	Q	L	0.0000
121	L	L	-1.7935
122	K	L	-2.5866
123	S	L	-1.6037
124	G	L	-1.4391
125	T	L	-1.1501
126	A	L	0.0000
127	S	L	0.0000
128	V	L	0.0000
129	V	L	0.0000
130	C	L	0.0000
131	L	L	0.0000
132	L	L	0.0000
133	N	L	0.0000
134	N	L	-0.6924
135	F	L	0.0000
136	Y	L	0.0000
137	P	L	-1.2362
138	R	L	-1.6864
139	E	L	-2.5570
140	A	L	-1.8786
141	K	L	-1.9842
142	V	L	-0.9411
143	Q	L	-0.4320
144	W	L	0.0000
145	K	L	-0.6689
146	V	L	0.0000
147	D	L	-2.1910
148	N	L	-1.6609
149	A	L	-0.3086
150	L	L	0.6885
151	Q	L	-0.1046
152	S	L	-0.4873
153	G	L	-0.9167
154	N	L	-0.8465
155	S	L	-1.1504
156	Q	L	-1.4616
157	E	L	-1.9033
158	S	L	-0.8697
159	V	L	-0.2720
160	T	L	-0.8697
161	E	L	-1.9974
162	Q	L	0.0000
163	D	L	-2.0510
164	S	L	-2.0575
165	K	L	-2.2548
166	D	L	-1.6764
167	S	L	-1.7923
168	T	L	0.0000
169	Y	L	0.0000
170	S	L	0.0000
171	L	L	0.0000
172	S	L	0.0000
173	S	L	0.0000
174	T	L	-0.7014
175	L	L	0.0000
176	T	L	-0.4569
177	L	L	-0.7639
178	S	L	-1.2218
179	K	L	-2.1961
180	A	L	-2.1272
181	D	L	-3.1700
182	Y	L	0.0000
183	E	L	-3.9752
184	K	L	-3.9471
185	H	L	-3.5819
186	K	L	-3.4805
187	V	L	-2.0391
188	Y	L	0.0000
189	A	L	0.0000
190	C	L	0.0000
191	E	L	-0.4717
192	V	L	0.0000
193	T	L	-1.0928
194	H	L	0.0000
195	Q	L	-1.5725
196	G	L	-0.4179
197	L	L	-0.2612
198	S	L	-0.4670
199	S	L	-0.4567
200	P	L	-0.5771
201	V	L	0.0510
202	T	L	-0.3464
203	K	L	-0.7012
204	S	L	-0.7119
205	F	L	-1.0818
206	N	L	-2.1278
207	R	L	-2.3783
208	G	L	-1.4767