Project name: f772705b94e2350

Chain sequence(s)	H: QVQLQESGGGLVKPGGSLKLSCAASGFAFSIYDMSWVRQTPEKRLEWVAYISSGGGTTYYPDTVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARHSGYGSSYGVLFAYWGQGTLVTVSS; L: DIQLTQTTSSLSASLGDRVTISCRASQDISNYLNWYQQKPDGTVKLLIYYTSILHSGVPSRFSGSGSGTDYSLTISNLEQEDFATYFCQQGNTLPWTFGGGTKLEIK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:45)

• Minimal score value: -2.8351
• Maximal score value: 1.895
• Average score: -0.5177
• Total score value: -119.0749

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	-1.4079
2	V	H	-0.7599
3	Q	H	-1.2869
4	L	H	0.0000
5	Q	H	-1.2392
6	E	H	0.0000
7	S	H	-0.6033
8	G	H	-0.5608
9	G	H	0.1962
11	G	H	0.7986
12	L	H	1.3005
13	V	H	-0.2976
14	K	H	-1.8290
15	P	H	-1.7887
16	G	H	-1.4948
17	G	H	-1.2080
18	S	H	-1.0309
19	L	H	-0.7928
20	K	H	-1.6122
21	L	H	0.0000
22	S	H	-0.6866
23	C	H	0.0000
24	A	H	-0.8402
25	A	H	0.0000
26	S	H	-1.1173
27	G	H	-0.9987
28	F	H	-0.0983
29	A	H	0.4734
30	F	H	0.0000
35	S	H	0.1840
36	I	H	1.8950
37	Y	H	0.0000
38	D	H	-0.0144
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	T	H	-1.4655
46	P	H	-1.7887
47	E	H	-2.7342
48	K	H	-2.4945
49	R	H	-1.9576
50	L	H	0.0000
51	E	H	-0.6747
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	Y	H	0.3884
56	I	H	0.0000
57	S	H	-0.1544
58	S	H	0.0385
59	G	H	-0.5402
62	G	H	-0.8662
63	G	H	-0.7249
64	T	H	-0.2221
65	T	H	0.3237
66	Y	H	0.6940
67	Y	H	-0.3554
68	P	H	0.0000
69	D	H	-2.4047
70	T	H	-1.6957
71	V	H	0.0000
72	K	H	-2.4833
74	G	H	-1.7313
75	R	H	-1.6548
76	F	H	0.0000
77	T	H	-0.8525
78	I	H	0.0000
79	S	H	-0.5141
80	R	H	-0.9640
81	D	H	-1.3984
82	N	H	-1.2276
83	A	H	-1.2734
84	K	H	-2.2226
85	N	H	-1.6759
86	T	H	-1.1621
87	L	H	0.0000
88	Y	H	-0.4982
89	L	H	0.0000
90	Q	H	-1.5750
91	M	H	0.0000
92	S	H	-1.1002
93	S	H	-1.1704
94	L	H	0.0000
95	K	H	-2.5048
96	S	H	-2.0618
97	E	H	-2.4328
98	D	H	0.0000
99	T	H	-0.4952
100	A	H	0.0000
101	M	H	0.5123
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	H	H	0.0000
108	S	H	0.0000
109	G	H	0.5677
110	Y	H	1.2567
111	G	H	0.0895
111A	S	H	-0.0184
112B	S	H	0.4767
112A	Y	H	0.7035
112	G	H	0.2483
113	V	H	0.0000
114	L	H	0.0000
115	F	H	0.0000
116	A	H	0.0000
117	Y	H	0.0836
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.2939
121	G	H	-0.2915
122	T	H	0.2249
123	L	H	1.4766
124	V	H	0.0000
125	T	H	0.1504
126	V	H	0.0000
127	S	H	-0.9841
128	S	H	-0.7754
1	D	L	-2.1017
2	I	L	0.0000
3	Q	L	-2.1468
4	L	L	0.0000
5	T	L	-1.2689
6	Q	L	0.0000
7	T	L	-0.5904
8	T	L	-0.4051
9	S	L	-0.6668
10	S	L	-0.8738
11	L	L	-0.4441
12	S	L	-0.6960
13	A	L	0.0000
14	S	L	-0.7224
15	L	L	-0.5169
16	G	L	-1.4425
17	D	L	-2.0218
18	R	L	-2.5066
19	V	L	0.0000
20	T	L	-0.5409
21	I	L	0.0000
22	S	L	-0.7944
23	C	L	0.0000
24	R	L	-2.8351
25	A	L	0.0000
26	S	L	-2.1397
27	Q	L	-2.5507
28	D	L	-2.4226
29	I	L	0.0000
36	S	L	-0.7447
37	N	L	-0.3910
38	Y	L	0.4128
39	L	L	0.0000
40	N	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	-1.5125
46	P	L	-1.3952
47	D	L	-2.1440
48	G	L	-1.3731
49	T	L	-1.1368
50	V	L	0.0000
51	K	L	-0.9131
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	1.1870
56	Y	L	1.2287
57	T	L	0.0000
65	S	L	0.7198
66	I	L	1.5890
67	L	L	0.9959
68	H	L	0.1715
69	S	L	-0.1810
70	G	L	-0.4580
71	V	L	-0.2065
72	P	L	-0.2521
74	S	L	-0.3240
75	R	L	-1.0333
76	F	L	0.0000
77	S	L	-0.0405
78	G	L	0.1297
79	S	L	-0.3628
80	G	L	-0.9789
83	S	L	-1.1566
84	G	L	-1.5821
85	T	L	-2.0950
86	D	L	-2.1807
87	Y	L	0.0000
88	S	L	-0.7199
89	L	L	0.0000
90	T	L	-0.7297
91	I	L	0.0000
92	S	L	-1.7711
93	N	L	-2.3716
94	L	L	0.0000
95	E	L	-2.5232
96	Q	L	-2.1834
97	E	L	-2.6961
98	D	L	0.0000
99	F	L	0.0000
100	A	L	0.0000
101	T	L	-1.0385
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	G	L	0.0000
108	N	L	-0.1684
109	T	L	-0.1620
114	L	L	0.2937
115	P	L	-0.3191
116	W	L	0.0000
117	T	L	-0.6645
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.4217
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.6980
124	L	L	0.0000
125	E	L	-0.8885
126	I	L	0.6447
127	K	L	-0.9174