Project name: d107204d1707cc3

Chain sequence(s)	H: QMQLVQSGPEVKKPGTSVKVSCKASGYTFTDYNVDWVRQARGQRLEWIGDINPNDGGTIYAQKFQERVTITVDKSTSTAYMELSSLRSEDTAVYYCARNYRWFGAMDHWGQGTTVTVSS; L: DIVMTQTPLSLSVTPGQPASISCKASQSLDYEGDSDMNWYLQKPGQPPQLLIYGASNLESGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCQQSTEDPRTFGGGTKVEIK
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                                          (00:02:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:45)

• Minimal score value: -3.1452
• Maximal score value: 1.214
• Average score: -0.6776
• Total score value: -155.8574

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	-1.5143
2	M	H	0.0000
3	Q	H	-1.1898
4	L	H	0.0000
5	V	H	0.2854
6	Q	H	0.0000
7	S	H	-0.6498
8	G	H	-0.7515
9	P	H	-0.3187
11	E	H	-0.1133
12	V	H	0.9120
13	K	H	-0.8757
14	K	H	-2.2058
15	P	H	-2.1657
16	G	H	-1.6372
17	T	H	-1.2872
18	S	H	-1.3967
19	V	H	0.0000
20	K	H	-2.0798
21	V	H	0.0000
22	S	H	-0.5800
23	C	H	0.0000
24	K	H	-0.6071
25	A	H	0.0000
26	S	H	-0.7518
27	G	H	-1.0420
28	Y	H	-0.5167
29	T	H	-0.2762
30	F	H	0.0000
35	T	H	-1.3768
36	D	H	-1.1805
37	Y	H	-0.7092
38	N	H	-0.8914
39	V	H	0.0000
40	D	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	A	H	-1.8579
46	R	H	-2.5118
47	G	H	-2.1119
48	Q	H	-2.5871
49	R	H	-2.1094
50	L	H	0.0000
51	E	H	-1.0392
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	D	H	0.0000
56	I	H	0.0000
57	N	H	-1.3701
58	P	H	0.0000
59	N	H	-2.6901
62	D	H	-2.8115
63	G	H	-1.9257
64	G	H	-0.9813
65	T	H	0.2926
66	I	H	1.1829
67	Y	H	-0.4483
68	A	H	0.0000
69	Q	H	-2.9068
70	K	H	-2.9865
71	F	H	0.0000
72	Q	H	-2.6475
74	E	H	-3.0668
75	R	H	-1.8877
76	V	H	0.0000
77	T	H	-0.7898
78	I	H	0.0000
79	T	H	-0.3503
80	V	H	-0.9464
81	D	H	-1.0843
82	K	H	-1.7932
83	S	H	-0.8714
84	T	H	-0.7616
85	S	H	-0.8838
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.5364
89	M	H	0.0000
90	E	H	-1.5479
91	L	H	0.0000
92	S	H	-1.3180
93	S	H	-1.3658
94	L	H	0.0000
95	R	H	-3.1452
96	S	H	-2.3981
97	E	H	-2.5555
98	D	H	0.0000
99	T	H	-1.1048
100	A	H	0.0000
101	V	H	-0.1957
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	N	H	0.0000
108	Y	H	0.4360
109	R	H	-0.6692
110	W	H	0.8919
112	F	H	1.0991
113	G	H	0.0000
114	A	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	H	H	-0.5555
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.3267
121	G	H	-0.6576
122	T	H	0.0000
123	T	H	-0.2579
124	V	H	0.0000
125	T	H	-0.3446
126	V	H	0.0000
127	S	H	-0.9114
128	S	H	-0.7655
1	D	L	-2.1266
2	I	L	0.0000
3	V	L	0.9495
4	M	L	0.0000
5	T	L	-0.1325
6	Q	L	0.0000
7	T	L	0.0911
8	P	L	0.3977
9	L	L	1.2140
10	S	L	0.1269
11	L	L	-0.1890
12	S	L	-0.8513
13	V	L	0.0000
14	T	L	-1.6061
15	P	L	-1.7691
16	G	L	-1.9995
17	Q	L	-2.2069
18	P	L	-1.7488
19	A	L	0.0000
20	S	L	-0.6044
21	I	L	0.0000
22	S	L	-0.7616
23	C	L	0.0000
24	K	L	-1.8574
25	A	L	0.0000
26	S	L	-0.6144
27	Q	L	-1.0715
28	S	L	-0.9648
29	L	L	0.0000
30	D	L	-1.1647
31	Y	L	-0.4071
34	E	L	-1.8189
35	G	L	-1.6081
36	D	L	-1.4209
37	S	L	0.0000
38	D	L	-0.0977
39	M	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	-0.7648
45	K	L	-1.2577
46	P	L	-0.9082
47	G	L	-1.3454
48	Q	L	-1.7846
49	P	L	-1.1983
50	P	L	0.0000
51	Q	L	-0.7167
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.5538
56	G	L	-0.1984
57	A	L	0.0000
65	S	L	-0.5449
66	N	L	-0.4013
67	L	L	-0.1030
68	E	L	-0.4093
69	S	L	-0.4388
70	G	L	-0.6914
71	V	L	-0.5301
72	P	L	-0.9544
74	D	L	-1.9568
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-0.8354
78	G	L	-0.4651
79	S	L	-0.8275
80	G	L	-1.2318
83	S	L	-1.3423
84	G	L	-1.2836
85	T	L	-1.6831
86	D	L	-2.3926
87	F	L	0.0000
88	T	L	-0.9762
89	L	L	0.0000
90	K	L	-1.1773
91	I	L	0.0000
92	S	L	-1.8755
93	R	L	-2.7101
94	V	L	0.0000
95	E	L	-2.5435
96	A	L	-1.6957
97	E	L	-2.1234
98	D	L	0.0000
99	V	L	-0.8386
100	G	L	0.0000
101	V	L	-0.2269
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	S	L	-0.3236
108	T	L	-0.5042
109	E	L	-1.8719
114	D	L	-2.2043
115	P	L	-1.9652
116	R	L	-1.3240
117	T	L	-0.6740
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.2483
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.5536
124	V	L	0.0000
125	E	L	-1.1175
126	I	L	-1.0756
127	K	L	-1.7807