Project name: fb792392a7ae3c5

Chain sequence(s)	A: DIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR; B: EVQLVESGGGLVQPGGSLRLSCAASGFTISDYWIHWVRQAPGKGLEWVAGITPAGGYTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARFVFFLPYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC; H: EVQLVESGGGLVQPGGSLRLSCAASGFTISDYWIHWVRQAPGKGLEWVAGITPAGGYTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARFVFFLPYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC; L: DIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR; W: VVKFMDVYQRSYCHPIETLVDIFQEYPDEIEYIFKPSCVPLMRCGGCCNDEGLECVPTEESNITMQIMRIKPHQGQHIGEMSFLQHNKCECRPK; V: VVKFMDVYQRSYCHPIETLVDIFQEYPDEIEYIFKPSCVPLMRCGGCCNDEGLECVPTEESNITMQIMRIKPHQGQHIGEMSFLQHNKCECRPKK
Selected Chain(s)	A,B,H,L,W,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                                          (00:08:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:09)

• Minimal score value: -3.9591
• Maximal score value: 1.4825
• Average score: -0.7196
• Total score value: -753.4051

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
14	V	V	1.2883
15	V	V	0.0250
16	K	V	-1.3060
17	F	V	0.0000
18	M	V	-0.8026
19	D	V	-1.7003
20	V	V	0.0000
21	Y	V	0.0000
22	Q	V	-1.3229
23	R	V	-2.2721
24	S	V	0.0000
25	Y	V	0.0000
26	C	V	0.0000
27	H	V	-1.4674
28	P	V	-1.2665
29	I	V	-1.0027
30	E	V	-1.6346
31	T	V	-0.8981
32	L	V	-0.5090
33	V	V	0.0000
34	D	V	-1.0729
35	I	V	0.0000
36	F	V	-0.2375
37	Q	V	-1.6438
38	E	V	-1.1152
39	Y	V	-0.6639
40	P	V	-0.9696
41	D	V	-1.8492
42	E	V	-0.9294
43	I	V	0.6254
44	E	V	-1.3345
45	Y	V	-0.4307
46	I	V	0.4758
47	F	V	0.0000
48	K	V	0.0000
49	P	V	0.0000
50	S	V	-0.3334
51	C	V	0.0000
52	V	V	0.0000
53	P	V	-0.8537
54	L	V	0.0000
55	M	V	-1.0174
56	R	V	-1.0355
57	C	V	-0.9454
58	G	V	-0.4626
59	G	V	-0.6119
60	C	V	-0.8636
61	C	V	0.0000
62	N	V	0.0000
63	D	V	-1.2865
64	E	V	-2.5259
65	G	V	-2.3051
66	L	V	0.0000
67	E	V	-2.4272
68	C	V	-0.9604
69	V	V	-0.8420
70	P	V	-1.9210
71	T	V	-2.0994
72	E	V	-3.5675
73	E	V	-3.6018
74	S	V	-2.0951
75	N	V	-1.5613
76	I	V	0.2140
77	T	V	-0.1544
78	M	V	0.0000
79	Q	V	-1.3705
80	I	V	0.0000
81	M	V	0.0000
82	R	V	-1.7169
83	I	V	0.0000
84	K	V	-2.0221
85	P	V	-1.4600
86	H	V	-1.2761
87	Q	V	-1.8866
88	G	V	-1.6079
89	Q	V	-1.3689
90	H	V	-1.6747
91	I	V	-1.2020
92	G	V	-1.4185
93	E	V	-2.0445
94	M	V	0.0000
95	S	V	-0.5185
96	F	V	0.0000
97	L	V	-0.5018
98	Q	V	-1.7017
99	H	V	-2.5811
100	N	V	-3.3717
101	K	V	-3.3840
102	C	V	-2.1972
103	E	V	-1.7191
104	C	V	0.0000
105	R	V	-1.9763
106	P	V	-2.3980
107	K	V	-3.2063
108	K	V	-2.7616
14	V	W	1.2628
15	V	W	0.0074
16	K	W	-1.5502
17	F	W	0.0000
18	M	W	-1.1269
19	D	W	-1.9472
20	V	W	0.0000
21	Y	W	0.0000
22	Q	W	-1.9010
23	R	W	-2.4955
24	S	W	0.0000
25	Y	W	0.0000
26	C	W	0.0000
27	H	W	-1.3848
28	P	W	-1.0989
29	I	W	-0.9228
30	E	W	-1.7838
31	T	W	-0.9623
32	L	W	-0.5942
33	V	W	0.0000
34	D	W	-1.2760
35	I	W	0.0000
36	F	W	-0.4094
37	Q	W	-1.7504
38	E	W	-1.1739
39	Y	W	-0.7623
40	P	W	-1.1716
41	D	W	-1.9871
42	E	W	-1.2239
43	I	W	0.4890
44	E	W	-1.3634
45	Y	W	-0.4707
46	I	W	0.5810
47	F	W	0.0000
48	K	W	0.0000
49	P	W	0.0000
50	S	W	-0.3456
51	C	W	0.0000
52	V	W	0.0000
53	P	W	-0.9216
54	L	W	0.0000
55	M	W	-0.9166
56	R	W	-0.9302
57	C	W	-0.8355
58	G	W	-0.4263
59	G	W	-0.6311
60	C	W	0.0000
61	C	W	0.0000
62	N	W	0.0000
63	D	W	-1.2883
64	E	W	-2.4492
65	G	W	-2.0304
66	L	W	0.0000
67	E	W	-2.1923
68	C	W	-0.9599
69	V	W	-0.9273
70	P	W	-1.8750
71	T	W	-2.0601
72	E	W	-3.3788
73	E	W	-3.3033
74	S	W	-1.8001
75	N	W	-1.3009
76	I	W	0.1673
77	T	W	-0.0462
78	M	W	0.0000
79	Q	W	-1.1634
80	I	W	0.0000
81	M	W	0.0000
82	R	W	-1.7521
83	I	W	0.0000
84	K	W	-1.7238
85	P	W	-1.3463
86	H	W	-1.2879
87	Q	W	-1.8200
88	G	W	-1.5113
89	Q	W	0.0000
90	H	W	-1.5358
91	I	W	-1.1209
92	G	W	-1.4233
93	E	W	-2.0411
94	M	W	0.0000
95	S	W	-0.4322
96	F	W	0.0000
97	L	W	-0.2872
98	Q	W	-1.4723
99	H	W	-2.2686
100	N	W	-2.6509
101	K	W	-3.1441
102	C	W	-2.0924
103	E	W	-1.8343
104	C	W	0.0000
105	R	W	-1.8250
106	P	W	-2.0638
107	K	W	-2.3854
1	D	L	-2.1609
2	I	L	-1.7122
3	Q	L	-2.1705
4	M	L	0.0000
5	T	L	-1.3761
6	Q	L	0.0000
7	S	L	-0.6701
8	P	L	-0.5529
9	S	L	-0.7708
10	S	L	-0.7175
11	L	L	-0.4733
12	S	L	-0.7294
13	A	L	0.0000
14	S	L	-0.8305
15	V	L	-0.1457
16	G	L	-0.6839
17	D	L	-1.8538
18	R	L	-2.3457
19	V	L	0.0000
20	T	L	-0.6642
21	I	L	0.0000
22	T	L	-0.8148
23	C	L	0.0000
24	R	L	-2.7538
25	A	L	0.0000
26	S	L	-2.0387
27	Q	L	-2.4391
28	D	L	-1.8851
29	V	L	0.0000
30	S	L	-0.9799
31	T	L	-0.2222
32	A	L	0.0000
33	V	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	-1.7254
40	P	L	-1.5312
41	G	L	-1.6805
42	K	L	-2.4891
43	A	L	-1.5694
44	P	L	0.0000
45	K	L	-1.3228
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.0000
50	S	L	0.0000
51	A	L	0.0000
52	S	L	0.2973
53	F	L	1.1396
54	L	L	0.9690
55	Y	L	0.3368
56	S	L	-0.0698
57	G	L	-0.3717
58	V	L	-0.1836
59	P	L	-0.2623
60	S	L	-0.3819
61	R	L	-0.7303
62	F	L	0.0000
63	S	L	-0.0396
64	G	L	-0.0049
65	S	L	-0.4595
66	G	L	-0.7415
67	S	L	-0.8135
68	G	L	-1.3122
69	T	L	-1.8333
70	D	L	-2.1092
71	F	L	0.0000
72	T	L	-0.7072
73	L	L	0.0000
74	T	L	-0.6341
75	I	L	0.0000
76	S	L	-1.3898
77	S	L	-1.1260
78	L	L	0.0000
79	Q	L	-0.8969
80	P	L	-1.4859
81	E	L	-1.8600
82	D	L	0.0000
83	F	L	-1.1532
84	A	L	0.0000
85	T	L	-0.8232
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	0.0000
92	Y	L	0.0000
93	T	L	-0.6402
94	T	L	-0.2503
95	P	L	-0.6114
96	P	L	0.0000
97	T	L	-0.5234
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.5685
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.4565
104	V	L	0.0000
105	E	L	-1.1615
106	I	L	0.0000
107	K	L	-1.1733
108	R	L	-0.8081
109	T	L	-0.2066
110	V	L	0.1556
111	A	L	-0.1878
112	A	L	-0.1765
113	P	L	0.0000
114	S	L	-0.1017
115	V	L	0.0000
116	F	L	0.0793
117	I	L	0.0000
118	F	L	0.0000
119	P	L	-0.7741
120	P	L	0.0000
121	S	L	0.0000
122	D	L	-2.6879
123	E	L	-2.2084
124	Q	L	0.0000
125	L	L	-1.9747
126	K	L	-2.5272
127	S	L	-1.5607
128	G	L	-1.1116
129	T	L	-0.8762
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	-0.8337
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.6288
142	R	L	-2.7857
143	E	L	-3.0619
144	A	L	-2.3035
145	K	L	-2.3718
146	V	L	-1.1512
147	Q	L	-0.7346
148	W	L	0.0000
149	K	L	-0.7843
150	V	L	0.0000
151	D	L	-1.9575
152	N	L	-1.6650
153	A	L	-0.4717
154	L	L	0.3231
155	Q	L	-0.3669
156	S	L	-0.5713
157	G	L	-0.9683
158	N	L	-0.9325
159	S	L	-1.3894
160	Q	L	-1.7857
161	E	L	-2.0222
162	S	L	-1.1876
163	V	L	-0.8877
164	T	L	-1.1845
165	E	L	-2.2242
166	Q	L	0.0000
167	D	L	-2.1400
168	S	L	-2.2475
169	K	L	-2.5970
170	D	L	-1.8660
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	-0.7954
179	L	L	0.0000
180	T	L	-0.4843
181	L	L	-0.6047
182	S	L	-0.9834
183	K	L	-1.9853
184	A	L	-1.9174
185	D	L	-2.5699
186	Y	L	0.0000
187	E	L	-3.7991
188	K	L	-3.7777
189	H	L	-3.5014
190	K	L	-3.8207
191	V	L	-2.1833
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	0.0000
196	V	L	0.0000
197	T	L	-1.1481
198	H	L	0.0000
199	Q	L	-1.7533
200	G	L	-0.5125
201	L	L	-0.3137
202	S	L	-0.4933
203	S	L	-0.4656
204	P	L	-0.5024
205	V	L	0.0310
206	T	L	-0.4127
207	K	L	-0.6627
208	S	L	-0.6851
209	F	L	-1.2859
210	N	L	-2.7048
211	R	L	-3.4942
1	E	H	-1.9639
2	V	H	-0.9115
3	Q	H	-0.9876
4	L	H	0.0000
5	V	H	0.3816
6	E	H	0.0000
7	S	H	-0.5599
8	G	H	-0.8616
9	G	H	-0.4579
10	G	H	0.0040
11	L	H	0.0376
12	V	H	-0.5487
13	Q	H	-1.4857
14	P	H	-1.5139
15	G	H	-1.2827
16	G	H	-1.0345
17	S	H	-1.1477
18	L	H	-1.2958
19	R	H	-2.2655
20	L	H	0.0000
21	S	H	-0.5332
22	C	H	0.0000
23	A	H	-0.3121
24	A	H	0.0000
25	S	H	-0.7282
26	G	H	-1.0247
27	F	H	-0.4338
28	T	H	-0.5255
29	I	H	0.0000
30	S	H	-0.4048
31	D	H	-0.3904
32	Y	H	-0.0360
33	W	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	-0.9368
40	A	H	-1.2426
41	P	H	-1.2690
42	G	H	-1.5711
43	K	H	-2.3787
44	G	H	-1.6528
45	L	H	0.0000
46	E	H	-1.2992
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	G	H	0.0000
51	I	H	0.6768
52	T	H	0.0000
53	P	H	0.0000
54	A	H	-0.1609
55	G	H	-0.5100
56	G	H	0.0000
57	Y	H	0.6774
58	T	H	0.6257
59	Y	H	0.1600
60	Y	H	-0.7205
61	A	H	-1.4296
62	D	H	-2.4059
63	S	H	-1.7622
64	V	H	0.0000
65	K	H	-2.5435
66	G	H	-1.7272
67	R	H	-1.4063
68	F	H	0.0000
69	T	H	-0.8534
70	I	H	-0.1248
71	S	H	-0.2588
72	A	H	-0.5612
73	D	H	-1.2115
74	T	H	-1.1951
75	S	H	-1.3573
76	K	H	-2.1480
77	N	H	-1.4394
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	-0.6480
81	L	H	0.0000
82	Q	H	-1.6589
83	M	H	0.0000
84	N	H	-1.4498
85	S	H	-1.1254
86	L	H	0.0000
87	R	H	-2.2036
88	A	H	-1.7050
89	E	H	-2.2718
90	D	H	0.0000
91	T	H	-0.7239
92	A	H	0.0000
93	V	H	-0.0392
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	R	H	0.0000
99	F	H	0.0000
100	V	H	0.0000
101	F	H	0.0000
102	F	H	0.0000
103	L	H	0.0000
104	P	H	0.0096
105	Y	H	0.0845
106	A	H	0.0000
107	M	H	0.0000
108	D	H	0.0000
109	Y	H	0.0102
110	W	H	-0.2211
111	G	H	0.0000
112	Q	H	-1.4157
113	G	H	-0.7379
114	T	H	-0.0890
115	L	H	0.1557
116	V	H	0.0000
117	T	H	0.0000
118	V	H	0.0000
119	S	H	-0.8727
120	S	H	-0.6638
121	A	H	-0.4238
122	S	H	-0.5348
123	T	H	-0.7316
124	K	H	-1.1396
125	G	H	-1.2987
126	P	H	0.0000
127	S	H	-0.3329
128	V	H	0.0000
129	F	H	0.0000
130	P	H	-1.1786
131	L	H	0.0000
132	A	H	0.0000
133	P	H	0.0000
134	S	H	-0.6094
135	S	H	-0.1694
141	G	H	-0.6305
142	T	H	-0.4743
143	A	H	-0.2439
144	A	H	0.0000
145	L	H	0.0000
146	G	H	0.0000
147	C	H	0.0000
148	L	H	0.0000
149	V	H	0.0000
150	K	H	0.0000
151	D	H	-0.3337
152	Y	H	0.0000
153	F	H	0.0000
154	P	H	0.0000
155	E	H	-0.8848
156	P	H	-0.9601
157	V	H	-0.8060
158	T	H	-0.6798
159	V	H	-0.2520
160	S	H	-0.3241
161	W	H	0.0000
162	N	H	-0.7513
163	S	H	-0.6282
164	G	H	-0.5758
165	A	H	-0.2668
166	L	H	-0.0085
167	T	H	-0.1570
168	S	H	-0.1437
169	G	H	-0.0921
170	V	H	0.1935
171	H	H	-0.3393
172	T	H	-0.2001
173	F	H	0.0000
174	P	H	-0.3600
175	A	H	0.1884
176	V	H	0.5379
177	L	H	1.2533
178	Q	H	0.3048
179	S	H	-0.0166
180	S	H	-0.1622
181	G	H	0.0554
182	L	H	0.1626
183	Y	H	0.4788
184	S	H	0.2227
185	L	H	0.0000
186	S	H	0.0000
187	S	H	0.0000
188	V	H	0.0000
189	V	H	0.0000
190	T	H	-0.1227
191	V	H	0.0000
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