Project name: ABTZMAN5

Chain sequence(s)	H: QVTLKESGPVLVKPTETLTLTCTVSGFSLTNYHVQWIRQPPGKALEWLGVMWSDGDTSFNSVLKSRLTISRDTSKSQVVLTMTNMDPVDTATYYCARDGTIAAMDYFDYWGQGTLVTVSS; L: DIQMTQSPSSVSASVGDRVTITCRASQGISSWLAWYQQKPGKAPKLLIYGASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFANYYCQQANSFPWTFGQGTKVEIK
Selected Chain(s)	H,L
Distance of aggregation	5 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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -1.9703
• Maximal score value: 2.0135
• Average score: -0.1885
• Total score value: -42.7904

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	-1.1606
2	V	H	-0.0885
3	T	H	-0.0248
4	L	H	0.0000
5	K	H	-1.7000
6	E	H	0.0000
7	S	H	-0.2133
8	G	H	-0.5120
9	P	H	0.1078
11	V	H	1.8902
12	L	H	1.0962
13	V	H	0.0000
14	K	H	-1.0964
15	P	H	-0.2996
16	T	H	-0.4611
17	E	H	-0.8636
18	T	H	-0.2057
19	L	H	0.0000
20	T	H	-0.0409
21	L	H	0.0000
22	T	H	0.0568
23	C	H	0.0000
24	T	H	-0.0641
25	V	H	0.0000
26	S	H	-0.2606
27	G	H	-0.4277
28	F	H	0.1186
29	S	H	-0.0862
30	L	H	0.0000
35	T	H	-0.3031
36	N	H	-1.2040
37	Y	H	0.1955
38	H	H	-0.0769
39	V	H	0.0000
40	Q	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.1249
45	P	H	0.0000
46	P	H	-0.3388
47	G	H	-0.8120
48	K	H	-1.7795
49	A	H	-0.2956
50	L	H	0.0000
51	E	H	-0.4101
52	W	H	0.0000
53	L	H	0.0000
54	G	H	0.0000
55	V	H	0.0000
56	M	H	0.0000
57	W	H	0.1556
58	S	H	-0.3519
59	D	H	-1.8669
63	G	H	-1.0191
64	D	H	-1.8063
65	T	H	-0.3257
66	S	H	0.0000
67	F	H	0.2044
68	N	H	0.0000
69	S	H	0.1041
70	V	H	1.7347
71	L	H	0.0000
72	K	H	-1.7376
74	S	H	-0.5766
75	R	H	-0.4006
76	L	H	0.0000
77	T	H	-0.0635
78	I	H	0.0000
79	S	H	-0.2443
80	R	H	-0.5383
81	D	H	-0.6131
82	T	H	-0.1859
83	S	H	-0.5247
84	K	H	-1.7497
85	S	H	-0.4227
86	Q	H	-0.2842
87	V	H	0.0000
88	V	H	0.5502
89	L	H	0.0000
90	T	H	-0.0216
91	M	H	0.0000
92	T	H	-0.2969
93	N	H	-1.2893
94	M	H	0.0000
95	D	H	-1.2100
96	P	H	-0.1373
97	V	H	1.7301
98	D	H	0.0000
99	T	H	-0.0158
100	A	H	0.0000
101	T	H	0.0962
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	D	H	0.0000
108	G	H	0.0000
109	T	H	0.3236
110	I	H	2.0135
111	A	H	0.4475
112A	A	H	0.0688
112	M	H	0.0000
113	D	H	-0.2728
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	0.0000
117	Y	H	0.4246
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.0603
121	G	H	-0.2961
122	T	H	0.1018
123	L	H	0.7050
124	V	H	0.0000
125	T	H	0.0624
126	V	H	0.0000
127	S	H	-0.2430
128	S	H	-0.3364
1	D	L	-1.7894
2	I	L	0.0000
3	Q	L	-1.1983
4	M	L	0.0000
5	T	L	-0.0709
6	Q	L	0.0000
7	S	L	-0.2176
8	P	L	-0.2689
9	S	L	-0.2666
10	S	L	-0.2447
11	V	L	0.2013
12	S	L	-0.2674
13	A	L	0.0000
14	S	L	-0.0162
15	V	L	1.3076
16	G	L	-0.2300
17	D	L	-1.0055
18	R	L	-1.9703
19	V	L	0.0000
20	T	L	-0.0512
21	I	L	0.0000
22	T	L	-0.0260
23	C	L	0.0000
24	R	L	-1.6479
25	A	L	0.0000
26	S	L	-0.3641
27	Q	L	-0.9618
28	G	L	-0.5889
29	I	L	0.0000
36	S	L	-0.2230
37	S	L	-0.0053
38	W	L	0.5149
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.1582
44	Q	L	-0.2596
45	K	L	-0.6959
46	P	L	-0.4511
47	G	L	-0.7998
48	K	L	-1.7118
49	A	L	-0.2956
50	P	L	0.0000
51	K	L	-0.8070
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3011
56	G	L	0.0000
57	A	L	0.0000
65	S	L	-0.3590
66	N	L	-0.7371
67	L	L	0.3941
68	E	L	-0.1442
69	S	L	-0.3354
70	G	L	-0.4729
71	V	L	0.0731
72	P	L	-0.1401
74	S	L	-0.2877
75	R	L	-0.3197
76	F	L	0.0000
77	S	L	-0.1960
78	G	L	-0.1543
79	S	L	-0.2578
80	G	L	-0.2756
83	S	L	-0.2798
84	G	L	-0.2881
85	T	L	-0.2662
86	D	L	-1.0751
87	F	L	0.0000
88	T	L	-0.0184
89	L	L	0.0000
90	T	L	-0.0191
91	I	L	0.0000
92	S	L	-0.2774
93	S	L	-0.3565
94	L	L	0.0000
95	Q	L	-0.4546
96	P	L	-0.6482
97	E	L	-1.8283
98	D	L	0.0000
99	F	L	1.2465
100	A	L	0.0000
101	N	L	-0.4015
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	A	L	0.0000
108	N	L	-0.4508
109	S	L	0.1837
114	F	L	1.8290
115	P	L	0.0000
116	W	L	0.0000
117	T	L	-0.0124
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-0.7117
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.0284
124	V	L	0.0000
125	E	L	-0.7497
126	I	L	0.4006
127	K	L	-1.5503