Project name: 4EDW

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGFSLIGYDLNWIRQPPGKGLEWIGIIWGDGTTDYNSAVKSRVTISKDTSKNQFSLKLSSVTAADTAVYYCARGGYWYATSYYFDYWGQGTLVTVSSASTKGPSVFPLAPCSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVER; L: DIQMTQSPSSLSASVGDRVTITCRASQSISNNLNWYQQKPGKAPKLLIYYTSRFHSGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQEHTLPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; V: HRGEFSVCDSVSVWVGDKTTATDIKGKEVMVLGEVNINNSVFKQYFFETKCRDPNVDGCRGIDSKHWNSYCTTTHTFVKALTMDGKQAAWRFIRIDTACVCVLSRK
Selected Chain(s)	H,L,V
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                                          (00:05:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:34)

• Minimal score value: -3.4147
• Maximal score value: 1.5855
• Average score: -0.6283
• Total score value: -336.1588

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
8	H	V	-1.8704
9	R	V	-2.3157
10	G	V	-1.1147
11	E	V	-0.4160
12	F	V	1.4167
13	S	V	1.1411
14	V	V	1.2606
15	C	V	0.0000
16	D	V	-0.7419
17	S	V	-0.5020
18	V	V	-0.0383
19	S	V	0.0000
20	V	V	0.8559
21	W	V	0.5948
22	V	V	0.1018
23	G	V	-1.0695
24	D	V	-2.0009
25	K	V	-1.0662
26	T	V	-0.5488
27	T	V	-0.5423
28	A	V	-0.5429
29	T	V	-1.1104
30	D	V	0.0000
31	I	V	0.9490
32	K	V	-1.4267
33	G	V	-1.6113
34	K	V	-2.3047
35	E	V	-2.3910
36	V	V	0.0000
37	M	V	0.0310
38	V	V	0.0000
39	L	V	-0.6794
40	G	V	-1.6293
41	E	V	-1.6340
42	V	V	0.1028
43	N	V	-0.1804
44	I	V	0.7220
45	N	V	-1.1907
46	N	V	-1.3309
47	S	V	0.4031
48	V	V	1.3373
49	F	V	1.2652
50	K	V	-1.5897
51	Q	V	0.0000
52	Y	V	-0.4330
53	F	V	0.0000
54	F	V	0.7276
55	E	V	0.0000
56	T	V	0.0000
57	K	V	-1.0629
58	C	V	-1.3441
59	R	V	-2.3742
60	D	V	-2.7079
61	P	V	-1.9298
62	N	V	-1.5316
64	V	V	-1.3386
65	D	V	-1.8838
67	G	V	-0.5728
68	C	V	0.0000
69	R	V	-0.4202
70	G	V	-0.6003
71	I	V	-0.7885
72	D	V	-2.4286
73	S	V	-2.4940
74	K	V	-3.0159
75	H	V	-3.0622
76	W	V	-2.3851
77	N	V	-2.2256
78	S	V	-0.2655
79	Y	V	0.9168
80	C	V	0.0000
81	T	V	0.3145
82	T	V	-0.4903
83	T	V	-0.4945
84	H	V	-0.9363
85	T	V	-0.0025
86	F	V	1.0621
87	V	V	0.5736
88	K	V	-0.1752
89	A	V	0.0000
90	L	V	0.1705
91	T	V	0.0000
92	M	V	-0.4964
93	D	V	-1.6150
94	G	V	-1.8548
95	K	V	-2.6005
96	Q	V	-2.2482
97	A	V	-0.6968
98	A	V	-0.0972
99	W	V	0.9647
100	R	V	0.5361
101	F	V	1.2240
102	I	V	0.0000
103	R	V	-0.0885
104	I	V	0.0000
105	D	V	-0.8508
106	T	V	-0.3526
107	A	V	-0.1800
108	C	V	0.0000
109	V	V	1.2554
110	C	V	1.5380
111	V	V	1.5855
112	L	V	0.4516
113	S	V	-1.1933
114	R	V	-2.9553
115	K	V	-3.2824
1	D	L	-2.2255
2	I	L	0.0000
3	Q	L	-2.3274
4	M	L	0.0000
5	T	L	-1.3925
6	Q	L	0.0000
7	S	L	-0.7595
8	P	L	-0.5172
9	S	L	-0.7820
10	S	L	-0.5916
11	L	L	-0.2656
12	S	L	-0.6961
13	A	L	-0.8130
14	S	L	-0.7239
15	V	L	0.2201
16	G	L	-0.6517
17	D	L	-1.4959
18	R	L	-2.2099
19	V	L	0.0000
20	T	L	-0.5851
21	I	L	0.0000
22	T	L	-0.7339
23	C	L	0.0000
24	R	L	-2.4313
25	A	L	0.0000
26	S	L	-1.9802
27	Q	L	-2.1436
28	S	L	-1.3825
29	I	L	0.0000
30	S	L	-0.8200
31	N	L	0.0000
32	N	L	-0.5756
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	-1.2552
39	K	L	-1.8145
40	P	L	-1.5265
41	G	L	-1.8109
42	K	L	-2.5424
43	A	L	-1.5566
44	P	L	0.0000
45	K	L	-1.0380
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.0000
50	Y	L	-0.3303
51	T	L	0.0000
52	S	L	0.0000
53	R	L	0.0000
54	F	L	0.2563
55	H	L	-0.1759
56	S	L	-0.4447
57	G	L	-0.5246
58	V	L	-0.2966
59	P	L	-0.2875
60	S	L	-0.3788
61	R	L	-0.6867
62	F	L	0.0000
63	S	L	-0.3193
64	G	L	-0.6509
65	S	L	-1.0608
66	G	L	-1.2046
67	S	L	-1.1674
68	G	L	-1.0590
69	T	L	-1.5430
70	D	L	-1.7720
71	F	L	0.0000
72	T	L	-0.6109
73	F	L	0.0000
74	T	L	-0.5797
75	I	L	0.0000
76	S	L	-1.2892
77	S	L	-1.0597
78	L	L	0.0000
79	Q	L	-0.7539
80	P	L	-1.4905
81	E	L	-1.7406
82	D	L	0.0000
83	I	L	0.0000
84	A	L	0.0000
85	T	L	-0.8331
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	E	L	-0.4738
92	H	L	-0.9432
93	T	L	-0.5068
94	L	L	-0.1583
95	P	L	-0.4972
96	Y	L	0.0000
97	T	L	-0.9442
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.9200
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.2568
104	L	L	0.0000
105	E	L	-1.0841
106	I	L	0.0000
107	K	L	-1.1653
108	R	L	-0.7977
109	T	L	0.0921
110	V	L	0.9355
111	A	L	0.0531
112	A	L	-0.0297
113	P	L	0.0000
114	S	L	-0.0958
115	V	L	0.0000
116	F	L	-0.0116
117	I	L	-0.0456
118	F	L	0.0000
119	P	L	-0.2510
120	P	L	0.0000
121	S	L	-1.2398
122	D	L	-2.5478
123	E	L	-2.4039
124	Q	L	0.0000
125	L	L	-2.1185
126	K	L	-2.6824
127	S	L	-1.6438
128	G	L	-1.3032
129	T	L	-0.9409
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	-1.0056
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.7160
142	R	L	-3.1230
143	E	L	-3.1021
144	A	L	-2.0573
145	K	L	-1.6923
146	V	L	-0.7766
147	Q	L	-0.2962
148	W	L	0.0000
149	K	L	-0.4619
150	V	L	0.0000
151	D	L	-2.0021
152	N	L	-1.5590
153	A	L	-0.2360
154	L	L	0.7859
155	Q	L	0.0192
156	S	L	-0.3858
157	G	L	-0.8667
158	N	L	-0.7618
159	S	L	-1.0897
160	Q	L	-1.3831
161	E	L	-1.9669
162	S	L	-1.0065
163	V	L	-0.9899
164	T	L	-0.9800
165	E	L	-1.8385
166	Q	L	0.0000
167	D	L	-2.1006
168	S	L	-2.2463
169	K	L	-2.6564
170	D	L	-2.0679
171	S	L	0.0000
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	-0.6422
179	L	L	0.0000
180	T	L	-0.2794
181	L	L	-0.5571
182	S	L	-0.9627
183	K	L	-2.0048
184	A	L	-1.7113
185	D	L	-2.2954
186	Y	L	0.0000
187	E	L	-3.1538
188	K	L	-3.4147
189	H	L	-2.9215
190	K	L	-3.1979
191	V	L	-1.4467
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.6161
196	V	L	0.0000
197	T	L	-0.9680
198	H	L	0.0000
199	Q	L	-1.4643
200	G	L	-0.3080
201	L	L	-0.2004
202	S	L	-0.4817
203	S	L	-0.4010
204	P	L	-0.4321
205	V	L	0.0564
206	T	L	-0.5446
207	K	L	-0.9997
208	S	L	-0.7666
209	F	L	0.0000
210	N	L	-1.8391
211	R	L	-2.3479
212	G	L	-1.9313
213	E	L	-2.1988
214	C	L	-0.7154
1	Q	H	-1.4503
2	V	H	-0.7687
3	Q	H	-1.6560
4	L	H	0.0000
5	Q	H	-1.7229
6	E	H	0.0000
7	S	H	-0.6318
8	G	H	-0.6463
9	P	H	-0.5829
10	G	H	-0.4544
11	L	H	-0.3894
12	V	H	0.0000
13	K	H	-2.4478
14	P	H	-1.7338
15	S	H	-1.7160
16	E	H	-2.6094
17	T	H	-1.6337
18	L	H	0.0000
19	S	H	-0.8079
20	L	H	0.0000
21	T	H	-0.7319
22	C	H	0.0000
23	T	H	-1.4381
24	V	H	0.0000
25	S	H	-1.1912
26	G	H	-1.0344
27	F	H	-0.3391
28	S	H	-0.0007
29	L	H	0.0000
30	I	H	0.2645
31	G	H	0.0000
32	Y	H	0.5600
33	D	H	0.0000
34	L	H	0.0000
35	N	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	R	H	0.0000
39	Q	H	-0.8129
40	P	H	-0.9011
41	P	H	-0.9859
42	G	H	-1.4635
43	K	H	-2.3956
44	G	H	-1.6708
45	L	H	0.0000
46	E	H	-1.0104
47	W	H	0.0000
48	I	H	0.0000
49	G	H	0.0000
50	I	H	0.0000
51	I	H	0.0000
52	W	H	0.0419
53	G	H	0.0000
54	D	H	-0.4648
55	G	H	-0.6428
56	T	H	-0.4318
57	T	H	-0.3799
58	D	H	-0.5907
59	Y	H	-0.5509
60	N	H	-0.7828
61	S	H	-0.9040
62	A	H	-0.4873
63	V	H	0.0000
64	K	H	-1.4170
65	S	H	-0.9581
66	R	H	-1.0402
67	V	H	0.0000
68	T	H	-0.7152
69	I	H	0.0000
70	S	H	-0.7541
71	K	H	-1.3668
72	D	H	-2.1150
73	T	H	-1.5391
74	S	H	-1.6934
75	K	H	-2.6440
76	N	H	-2.1827
77	Q	H	-1.9942
78	F	H	0.0000
79	S	H	-0.6871
80	L	H	0.0000
81	K	H	-1.0274
82	L	H	0.0000
82A	S	H	-1.1420
82B	S	H	-1.2790
82C	V	H	0.0000
83	T	H	-0.7032
84	A	H	-0.2070
85	A	H	0.0573
86	D	H	0.0000
87	T	H	0.0621
88	A	H	0.0000
89	V	H	0.1306
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	G	H	0.0000
96	G	H	0.0000
97	Y	H	0.5588
98	W	H	0.5653
99	Y	H	0.5945
100	A	H	0.3776
100A	T	H	0.1313
100B	S	H	0.0000
100C	Y	H	0.0000
100D	Y	H	0.0000
100E	F	H	0.0000
101	D	H	-0.0186
102	Y	H	0.2282
103	W	H	-0.5375
104	G	H	0.0000
105	Q	H	-1.9600
106	G	H	-1.0889
107	T	H	-0.4273
108	L	H	0.0430
109	V	H	0.0000
110	T	H	-0.2763
111	V	H	0.0000
112	S	H	-0.7044
113	S	H	-0.8708
114	A	H	-0.5383
115	S	H	-0.6442
116	T	H	-0.7097
117	K	H	-1.1602
118	G	H	-1.3507
119	P	H	-0.5624
120	S	H	-0.2268
121	V	H	0.0000
122	F	H	-0.3245
123	P	H	-0.6462
124	L	H	0.0000
125	A	H	-0.7673
126	P	H	-0.4932
127	C	H	-0.5771
128	S	H	-0.6315
135	T	H	-0.3614
136	A	H	-0.4603
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	-0.4716
145	Y	H	0.0000
146	F	H	-0.2408
147	P	H	0.0000
148	E	H	-0.4888
149	P	H	-0.6734
150	V	H	-0.6400
151	T	H	-0.5637
152	V	H	-0.1883
153	S	H	-0.5139
154	W	H	0.0000
155	N	H	-0.8591
156	S	H	-0.8321
157	G	H	-0.6218
158	A	H	-0.2845
159	L	H	-0.0906
160	T	H	-0.1873
161	S	H	-0.1784
162	G	H	-0.2053
163	V	H	0.1589
164	H	H	-0.2992
165	T	H	-0.0075
166	F	H	0.0000
167	P	H	-0.3388
168	A	H	0.1390
169	V	H	0.3886
170	L	H	1.0954
171	Q	H	0.2569
172	S	H	-0.0810
173	S	H	-0.2242
174	G	H	0.0694
175	L	H	0.1700
176	Y	H	0.4118
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	-0.1500
184	V	H	0.0000
185	P	H	-0.5760
186	S	H	-0.5541
187	S	H	-0.6451
188	N	H	-0.9653
189	F	H	-1.1279
190	G	H	-0.7746
191	T	H	-0.7367
192	Q	H	-1.3433
193	T	H	-1.1696
194	Y	H	0.0000
195	T	H	-1.1122
196	C	H	0.0000
197	N	H	-1.4091
198	V	H	0.0000
199	D	H	-1.8900
200	H	H	0.0000
201	K	H	-2.7909
202	P	H	-1.6274
203	S	H	-1.7734
204	N	H	-2.5970
205	T	H	-2.0284
206	K	H	-2.6712
207	V	H	-1.4295
208	D	H	-2.2512
209	K	H	-1.4345
210	T	H	-1.0526
211	V	H	0.0000
212	E	H	-2.8484
213	R	H	-2.7073