Project name: 29.F2E7

Chain sequence(s)	H: QVQLKQSGPGLVQPSQSLSITCTVSGFSLSNYGVHWVRQSPGKGLEWLGVIWSGGSTDYNAAFISRLSIRKGNSKSQVFFKMNSLQTDDTATYYCARGISTDQGAWFAYWGQGTLVTVSA; L: SIVMTQAPKFLLVSAGDRVTITCKASQSVSNDVAWYQQKPGQSPKLLIYYASNRYTGVPDRFTGSGYGTDFTFTISTVQAEDLAVYFCQQDYSSPWTFGGGTKLEIK
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -2.5441
• Maximal score value: 1.6875
• Average score: -0.5123
• Total score value: -116.2871

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	-1.4200
2	V	H	-0.8051
3	Q	H	-1.5670
4	L	H	0.0000
5	K	H	-2.2660
6	Q	H	0.0000
7	S	H	-0.9662
8	G	H	-0.3760
9	P	H	-0.1695
11	G	H	0.1061
12	L	H	0.3569
13	V	H	0.0000
14	Q	H	-1.6957
15	P	H	-1.5799
16	S	H	-1.5900
17	Q	H	-1.9646
18	S	H	-1.5944
19	L	H	0.0000
20	S	H	-0.7598
21	I	H	0.0000
22	T	H	-0.7962
23	C	H	0.0000
24	T	H	-1.2015
25	V	H	0.0000
26	S	H	-1.0335
27	G	H	-0.9526
28	F	H	-0.5779
29	S	H	-0.8311
30	L	H	0.0000
35	S	H	-1.1479
36	N	H	-1.4325
37	Y	H	-0.3993
38	G	H	0.0000
39	V	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6154
45	S	H	-1.1533
46	P	H	-1.2879
47	G	H	-1.7569
48	K	H	-2.4529
49	G	H	-1.3593
50	L	H	0.0000
51	E	H	-0.6507
52	W	H	0.0000
53	L	H	0.0000
54	G	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	W	H	-0.4038
58	S	H	-0.8718
59	G	H	-0.7992
63	G	H	-1.0679
64	S	H	-0.8379
65	T	H	-0.9408
66	D	H	-0.7198
67	Y	H	0.2388
68	N	H	0.2502
69	A	H	0.5307
70	A	H	0.5100
71	F	H	0.0000
72	I	H	1.6875
74	S	H	0.5006
75	R	H	-0.2906
76	L	H	0.0000
77	S	H	-0.8084
78	I	H	0.0000
79	R	H	-2.2673
80	K	H	-1.7039
81	G	H	-1.5942
82	N	H	-1.9233
83	S	H	-1.4936
84	K	H	-2.1874
85	S	H	-1.4870
86	Q	H	-1.5877
87	V	H	0.0000
88	F	H	-0.8781
89	F	H	0.0000
90	K	H	-1.5024
91	M	H	0.0000
92	N	H	-1.6515
93	S	H	-1.4862
94	L	H	0.0000
95	Q	H	-2.3607
96	T	H	-1.7075
97	D	H	-2.5441
98	D	H	0.0000
99	T	H	-0.6279
100	A	H	0.0000
101	T	H	0.3058
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	G	H	0.0000
108	I	H	-0.1178
109	S	H	-0.6509
110	T	H	-1.2310
111	D	H	-2.2210
112A	Q	H	-1.8933
112	G	H	0.0000
113	A	H	-0.3786
114	W	H	0.0000
115	F	H	0.0000
116	A	H	0.2213
117	Y	H	0.2896
118	W	H	-0.5720
119	G	H	0.0000
120	Q	H	-1.8564
121	G	H	0.0000
122	T	H	-0.0479
123	L	H	1.1287
124	V	H	0.0000
125	T	H	-0.0825
126	V	H	0.0000
127	S	H	-0.5190
128	A	H	-0.3183
1	S	L	0.0490
2	I	L	0.0000
3	V	L	1.2174
4	M	L	0.0000
5	T	L	-0.3019
6	Q	L	0.0000
7	A	L	-0.5537
8	P	L	-0.4432
9	K	L	-1.0533
10	F	L	0.9753
11	L	L	1.0009
12	L	L	0.9436
13	V	L	0.0000
14	S	L	-1.1631
15	A	L	-1.3375
16	G	L	-1.5181
17	D	L	-1.7907
18	R	L	-2.3326
19	V	L	0.0000
20	T	L	-0.5469
21	I	L	0.0000
22	T	L	-0.7676
23	C	L	0.0000
24	K	L	-1.4899
25	A	L	0.0000
26	S	L	-0.6080
27	Q	L	-1.2904
28	S	L	-0.8930
29	V	L	0.0000
36	S	L	-0.1062
37	N	L	-0.0922
38	D	L	-0.2839
39	V	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.8508
45	K	L	-1.2531
46	P	L	-0.8875
47	G	L	-1.4335
48	Q	L	-2.0243
49	S	L	-1.3024
50	P	L	0.0000
51	K	L	-0.9858
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3619
56	Y	L	-0.4827
57	A	L	0.0000
65	S	L	-0.5596
66	N	L	-1.0573
67	R	L	-1.6652
68	Y	L	-0.6835
69	T	L	-0.5559
70	G	L	-0.8672
71	V	L	0.0000
72	P	L	-1.2451
74	D	L	-2.0948
75	R	L	0.0000
76	F	L	0.0000
77	T	L	-0.8434
78	G	L	0.0000
79	S	L	-0.3199
80	G	L	-0.2758
83	Y	L	0.4966
84	G	L	-0.3546
85	T	L	-1.0814
86	D	L	-1.3864
87	F	L	0.0000
88	T	L	-0.4117
89	F	L	0.0000
90	T	L	-0.4876
91	I	L	0.0000
92	S	L	-1.3090
93	T	L	-1.4695
94	V	L	0.0000
95	Q	L	-1.5946
96	A	L	-1.1891
97	E	L	-1.6902
98	D	L	0.0000
99	L	L	0.0540
100	A	L	0.0000
101	V	L	0.0810
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	D	L	-0.0631
108	Y	L	0.5887
109	S	L	0.2831
114	S	L	-0.2064
115	P	L	-0.2029
116	W	L	0.2982
117	T	L	0.3266
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.0426
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.2602
124	L	L	0.0000
125	E	L	0.1858
126	I	L	-0.3670
127	K	L	-1.4405