Project name: CL03

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFNFSSYSIHWVRQAPGKGLEWVASIYPYSGSTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARQSHSYYSHTWWVSYGMDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSGQRPITFGQGTKVEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -2.623
• Maximal score value: 2.0916
• Average score: -0.4555
• Total score value: -106.5874

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	E	H	-2.0557
2	V	H	-1.2688
3	Q	H	-1.2089
4	L	H	0.0000
5	V	H	0.4361
6	E	H	0.0000
7	S	H	-0.2727
8	G	H	-0.6140
9	G	H	0.1917
11	G	H	0.7207
12	L	H	1.4467
13	V	H	-0.0073
14	Q	H	-1.3396
15	P	H	-1.4510
16	G	H	-1.4528
17	G	H	-1.1509
18	S	H	-1.0901
19	L	H	-0.6579
20	R	H	-1.4711
21	L	H	0.0000
22	S	H	-0.2975
23	C	H	0.0000
24	A	H	-0.3445
25	A	H	0.0000
26	S	H	-1.2825
27	G	H	-1.4684
28	F	H	-1.0598
29	N	H	-1.3550
30	F	H	0.0000
35	S	H	-0.1565
36	S	H	0.1554
37	Y	H	0.1912
38	S	H	0.2619
39	I	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	-0.6873
45	A	H	-1.0679
46	P	H	-0.8494
47	G	H	-1.4840
48	K	H	-2.3810
49	G	H	-1.6725
50	L	H	0.0000
51	E	H	-1.0389
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	S	H	0.0000
56	I	H	0.0000
57	Y	H	0.6471
58	P	H	0.3764
59	Y	H	1.1573
62	S	H	0.2321
63	G	H	-0.1976
64	S	H	0.0455
65	T	H	0.3841
66	Y	H	0.6864
67	Y	H	-0.4135
68	A	H	-1.2335
69	D	H	-2.2854
70	S	H	-1.6716
71	V	H	0.0000
72	K	H	-2.1517
74	G	H	-1.5824
75	R	H	-1.4109
76	F	H	0.0000
77	T	H	-0.5718
78	I	H	0.0000
79	S	H	-0.2220
80	A	H	-0.3967
81	D	H	-1.1206
82	T	H	-1.1332
83	S	H	-1.3414
84	K	H	-2.2470
85	N	H	-1.9353
86	T	H	-0.9212
87	A	H	0.0000
88	Y	H	-0.2801
89	L	H	0.0000
90	Q	H	-0.9669
91	M	H	0.0000
92	N	H	-1.2699
93	S	H	-1.2478
94	L	H	0.0000
95	R	H	-2.2393
96	A	H	-1.6700
97	E	H	-2.1961
98	D	H	0.0000
99	T	H	-0.3666
100	A	H	0.0000
101	V	H	0.5693
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	Q	H	0.0640
108	S	H	0.0000
109	H	H	0.9769
110	S	H	1.3291
111	Y	H	2.0062
111A	Y	H	2.0916
111B	S	H	0.6613
111C	H	H	-0.0142
112D	T	H	0.8273
112C	W	H	2.0194
112B	W	H	2.0838
112A	V	H	1.7494
112	S	H	0.9990
113	Y	H	0.4514
114	G	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	-0.0281
118	W	H	-0.2549
119	G	H	0.0000
120	Q	H	-1.4717
121	G	H	-0.4057
122	T	H	0.4639
123	L	H	1.6330
124	V	H	0.0000
125	T	H	0.3404
126	V	H	0.0000
127	S	H	-0.7619
128	S	H	-0.5695
1	D	L	-2.5188
2	I	L	0.0000
3	Q	L	-2.3131
4	M	L	0.0000
5	T	L	-1.4108
6	Q	L	0.0000
7	S	L	-0.8874
8	P	L	-0.6652
9	S	L	-0.9338
10	S	L	-1.1719
11	L	L	-0.7639
12	S	L	-0.9856
13	A	L	0.0000
14	S	L	-0.1758
15	V	L	0.8167
16	G	L	-0.4629
17	D	L	-1.5432
18	R	L	-2.1619
19	V	L	0.0000
20	T	L	-0.5838
21	I	L	0.0000
22	T	L	-0.7277
23	C	L	0.0000
24	R	L	-2.6123
25	A	L	0.0000
26	S	L	-1.8931
27	Q	L	-2.1515
28	S	L	-1.2698
29	V	L	0.0000
36	S	L	-0.6357
37	S	L	-0.3905
38	A	L	0.0000
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	0.0000
45	K	L	-1.8245
46	P	L	-1.3271
47	G	L	-1.6710
48	K	L	-2.6230
49	A	L	-1.6588
50	P	L	0.0000
51	K	L	-1.5943
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2780
56	S	L	0.1032
57	A	L	0.0000
65	S	L	-0.4035
66	S	L	0.0958
67	L	L	0.3864
68	Y	L	0.0727
69	S	L	-0.2061
70	G	L	-0.4238
71	V	L	-0.2668
72	P	L	-0.2683
74	S	L	-0.3463
75	R	L	-0.7097
76	F	L	0.0000
77	S	L	-0.3246
78	G	L	-0.4434
79	S	L	-0.9275
80	R	L	-1.6701
83	S	L	-1.2826
84	G	L	-1.3394
85	T	L	-1.5627
86	D	L	-1.7936
87	F	L	0.0000
88	T	L	-0.7930
89	L	L	0.0000
90	T	L	-0.6136
91	I	L	0.0000
92	S	L	-1.3260
93	S	L	-1.0783
94	L	L	0.0000
95	Q	L	-0.6944
96	P	L	-0.5825
97	E	L	-1.8655
98	D	L	0.0000
99	F	L	-0.6124
100	A	L	0.0000
101	T	L	-1.0710
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	-0.5524
108	G	L	-0.9331
109	Q	L	-1.5811
114	R	L	-1.2431
115	P	L	-1.3771
116	I	L	0.0000
117	T	L	-1.0823
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.7990
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.7694
124	V	L	0.0000
125	E	L	-1.4479
126	I	L	0.5341
127	K	L	-0.9605