Project name: cetux

Chain sequence(s)	H: QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSA; L: DILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELK
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                                          (00:02:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:07)

• Minimal score value: -3.1092
• Maximal score value: 1.9849
• Average score: -0.5269
• Total score value: -119.0835

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	-1.4342
2	V	H	-0.8269
3	Q	H	-1.5526
4	L	H	0.0000
5	K	H	-2.3028
6	Q	H	0.0000
7	S	H	-0.7094
8	G	H	-0.7714
9	P	H	0.3170
11	G	H	0.5622
12	L	H	1.3624
13	V	H	-0.2365
14	Q	H	-1.2778
15	P	H	-1.4009
16	S	H	-1.6025
17	Q	H	-2.0581
18	S	H	-1.7876
19	L	H	0.0000
20	S	H	-0.7670
21	I	H	0.0000
22	T	H	-0.5264
23	C	H	0.0000
24	T	H	-1.1356
25	V	H	0.0000
26	S	H	-1.1819
27	G	H	-0.9576
28	F	H	-0.5469
29	S	H	-0.9745
30	L	H	0.0000
35	T	H	-0.9851
36	N	H	-0.8828
37	Y	H	0.5180
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	-0.3064
45	S	H	0.0000
46	P	H	-1.1749
47	G	H	-1.7293
48	K	H	-2.2061
49	G	H	-1.1586
50	L	H	0.0000
51	E	H	0.0000
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	-0.2650
58	S	H	-0.6249
59	G	H	-1.0997
63	G	H	-1.5364
64	N	H	-1.7173
65	T	H	-1.0427
66	D	H	-0.5463
67	Y	H	-0.1868
68	N	H	-0.1271
69	T	H	-0.2060
70	P	H	-0.4039
71	F	H	0.0000
72	T	H	-0.4169
74	S	H	-0.6452
75	R	H	-1.1734
76	L	H	0.0000
77	S	H	-1.0481
78	I	H	0.0000
79	N	H	-1.8043
80	K	H	-1.5954
81	D	H	-2.0125
82	N	H	-2.5718
83	S	H	-1.8770
84	K	H	-2.4885
85	S	H	-1.7638
86	Q	H	-1.6115
87	V	H	0.0000
88	F	H	-0.2687
89	F	H	0.0000
90	K	H	-1.6848
91	M	H	0.0000
92	N	H	-2.0976
93	S	H	-1.5867
94	L	H	0.0000
95	Q	H	-2.0564
96	S	H	-1.4824
97	N	H	-2.0345
98	D	H	0.0000
99	T	H	-0.2485
100	A	H	0.0000
101	I	H	0.9491
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	A	H	0.0000
108	L	H	1.0970
109	T	H	1.2023
110	Y	H	1.8923
111	Y	H	1.9849
112	D	H	0.0000
113	Y	H	0.5920
114	E	H	0.0000
115	F	H	0.0000
116	A	H	0.2220
117	Y	H	0.1336
118	W	H	-0.5092
119	G	H	0.0000
120	Q	H	-1.6945
121	G	H	0.0000
122	T	H	0.0000
123	L	H	1.5756
124	V	H	0.0000
125	T	H	0.4206
126	V	H	0.0000
127	S	H	-0.4217
128	A	H	-0.1735
1	D	L	-1.3623
2	I	L	0.0000
3	L	L	0.7406
4	L	L	0.0000
5	T	L	-0.1116
6	Q	L	0.1106
7	S	L	0.2093
8	P	L	0.7980
9	V	L	1.8261
10	I	L	1.1288
11	L	L	0.4173
12	S	L	-0.5342
13	V	L	0.0000
14	S	L	-1.7888
15	P	L	-1.7812
16	G	L	-2.0969
17	E	L	-2.8783
18	R	L	-3.1092
19	V	L	0.0000
20	S	L	-0.8410
21	F	L	0.0000
22	S	L	-0.4821
23	C	L	0.0000
24	R	L	-1.6658
25	A	L	0.0000
26	S	L	-0.7373
27	Q	L	-1.1940
28	S	L	-1.2648
29	I	L	0.0000
36	G	L	-0.8800
37	T	L	-0.6242
38	N	L	-0.6206
39	I	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	R	L	-1.7446
46	T	L	-1.1784
47	N	L	-1.8028
48	G	L	-1.4864
49	S	L	-0.9651
50	P	L	0.0000
51	R	L	-0.6562
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	K	L	-0.6657
56	Y	L	-0.5053
57	A	L	0.0000
65	S	L	-1.1747
66	E	L	-1.8614
67	S	L	-1.1008
68	I	L	-0.5481
69	S	L	-0.4820
70	G	L	-0.4479
71	I	L	-0.1836
72	P	L	-0.2676
74	S	L	-0.5111
75	R	L	-1.0247
76	F	L	0.0000
77	S	L	-0.8340
78	G	L	-0.7007
79	S	L	-0.7404
80	G	L	-0.8761
83	S	L	-0.9208
84	G	L	-1.0839
85	T	L	-1.4231
86	D	L	-1.7660
87	F	L	0.0000
88	T	L	-0.6584
89	L	L	0.0000
90	S	L	0.0000
91	I	L	0.0000
92	N	L	-2.3655
93	S	L	-2.2686
94	V	L	0.0000
95	E	L	-1.9340
96	S	L	-1.5675
97	E	L	-1.8290
98	D	L	0.0000
99	I	L	-0.3856
100	A	L	0.0000
101	D	L	-0.8739
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	N	L	-0.4744
108	N	L	-1.0406
109	N	L	-0.9537
114	W	L	0.0181
115	P	L	-0.2449
116	T	L	0.0000
117	T	L	-0.0158
118	F	L	0.1958
119	G	L	0.0000
120	A	L	-0.0129
121	G	L	0.0404
122	T	L	0.0000
123	K	L	-0.4682
124	L	L	0.0000
125	E	L	-0.8902
126	L	L	-1.1143
127	K	L	-1.8595