Project name: b9513ad3b2f082

Chain sequence(s)	H: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS; L: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK
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                                          (00:03:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:11)

• Minimal score value: -3.3468
• Maximal score value: 1.7425
• Average score: -0.5725
• Total score value: -132.2542

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	-1.4548
2	V	H	-0.8123
3	Q	H	-1.2508
4	L	H	0.0000
5	V	H	-0.5457
6	Q	H	0.0000
7	S	H	-0.4524
8	G	H	0.1947
9	V	H	1.7425
11	E	H	0.9103
12	V	H	1.3610
13	K	H	-0.5559
14	K	H	-1.7226
15	P	H	-1.4010
16	G	H	-1.3619
17	A	H	-1.2246
18	S	H	-1.6858
19	V	H	0.0000
20	K	H	-2.1164
21	V	H	0.0000
22	S	H	-0.7782
23	C	H	0.0000
24	K	H	-1.6924
25	A	H	0.0000
26	S	H	-0.9973
27	G	H	-0.9839
28	Y	H	-0.5371
29	T	H	-0.4160
30	F	H	0.0000
35	T	H	-0.8005
36	N	H	-1.2258
37	Y	H	-0.2959
38	Y	H	-0.0145
39	M	H	0.0000
40	Y	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6506
45	A	H	-1.0367
46	P	H	-1.0605
47	G	H	-1.2520
48	Q	H	-1.7532
49	G	H	-1.1115
50	L	H	0.0000
51	E	H	-0.5550
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	N	H	-0.8584
58	P	H	-1.1359
59	S	H	-1.2774
62	N	H	-1.7725
63	G	H	-1.4917
64	G	H	-1.2785
65	T	H	-0.7712
66	N	H	-0.8965
67	F	H	-1.2718
68	N	H	-2.0314
69	E	H	-3.3241
70	K	H	-3.2364
71	F	H	0.0000
72	K	H	-3.3468
74	N	H	-2.7970
75	R	H	-2.1217
76	V	H	0.0000
77	T	H	-1.0777
78	L	H	0.0000
79	T	H	-0.3655
80	T	H	-0.8783
81	D	H	-1.2147
82	S	H	-0.7775
83	S	H	-0.5947
84	T	H	-0.8031
85	T	H	-0.9564
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.6076
89	M	H	0.0000
90	E	H	-1.5954
91	L	H	0.0000
92	K	H	-2.1729
93	S	H	-1.6163
94	L	H	0.0000
95	Q	H	-1.4885
96	F	H	0.0726
97	D	H	-1.2773
98	D	H	0.0000
99	T	H	-0.1935
100	A	H	0.0000
101	V	H	0.1347
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	R	H	0.0000
108	D	H	-0.1236
109	Y	H	0.4358
110	R	H	-0.6345
111	F	H	1.0628
112	D	H	0.4251
113	M	H	0.2354
114	G	H	0.0000
115	F	H	0.0000
116	D	H	-0.3214
117	Y	H	0.0963
118	W	H	-0.2918
119	G	H	0.0000
120	Q	H	-1.4191
121	G	H	-0.5892
122	T	H	0.0000
123	T	H	0.5735
124	V	H	0.0000
125	T	H	0.4130
126	V	H	0.0000
127	S	H	-0.5200
128	S	H	-0.4714
1	E	L	-1.7946
2	I	L	-0.6345
3	V	L	0.8394
4	L	L	0.0000
5	T	L	-0.5975
6	Q	L	-0.7302
7	S	L	-0.6268
8	P	L	-0.3348
9	A	L	-0.3911
10	T	L	-0.6075
11	L	L	-0.3048
12	S	L	-0.6638
13	L	L	-0.9021
14	S	L	-1.2688
15	P	L	-1.5660
16	G	L	-1.7537
17	E	L	-2.4660
18	R	L	-2.6351
19	A	L	0.0000
20	T	L	-0.5519
21	L	L	0.0000
22	S	L	-0.9271
23	C	L	0.0000
24	R	L	-2.2978
25	A	L	-1.3302
26	S	L	-1.2176
27	K	L	-2.1008
28	G	L	-1.7431
29	V	L	0.0000
30	S	L	-0.4786
31	T	L	-0.2222
34	S	L	-0.1634
35	G	L	-0.1160
36	Y	L	0.6779
37	S	L	0.0000
38	Y	L	-0.1148
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.1614
46	P	L	-1.0185
47	G	L	-1.3877
48	Q	L	-2.0219
49	A	L	-1.2655
50	P	L	0.0000
51	R	L	-1.1938
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.5695
56	L	L	0.0000
57	A	L	0.0000
65	S	L	0.2784
66	Y	L	1.0162
67	L	L	0.7037
68	E	L	-0.2338
69	S	L	-0.4034
70	G	L	-0.5099
71	V	L	-0.2716
72	P	L	-0.1517
74	A	L	-0.0604
75	R	L	-0.5792
76	F	L	0.0000
77	S	L	0.0579
78	G	L	0.0000
79	S	L	-0.5731
80	G	L	-0.9901
83	S	L	-0.8361
84	G	L	-1.2337
85	T	L	-2.0487
86	D	L	-2.6061
87	F	L	0.0000
88	T	L	-0.8518
89	L	L	0.0000
90	T	L	-0.5818
91	I	L	0.0000
92	S	L	-1.2827
93	S	L	-1.6397
94	L	L	0.0000
95	E	L	-1.9880
96	P	L	-1.3489
97	E	L	-1.9693
98	D	L	0.0000
99	F	L	0.2324
100	A	L	0.0000
101	V	L	-0.2215
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	H	L	0.0000
107	S	L	0.0000
108	R	L	-1.9004
109	D	L	-1.7252
114	L	L	-0.8402
115	P	L	-0.9343
116	L	L	0.0000
117	T	L	-0.0325
118	F	L	0.2770
119	G	L	0.0000
120	G	L	-0.6337
121	G	L	-0.7036
122	T	L	0.0000
123	K	L	-1.0544
124	V	L	0.0000
125	E	L	-0.7339
126	I	L	-0.1857
127	K	L	-1.5023