Project name: ABTZMAN

Chain sequence(s)	H: QVQLQQSGGELAKPGASVKVSCKASGYTFSSFWMHWVRQAPGQGLEWIGYINPRSGYTEYNEIFRDKATMTTDTSTSTAYMELSSLRSEDTAVYYCASFLGRGAMDYWGQGTTVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQDISNYLAWYQQKPGKAPKLLIYYTSKIHSGVPSRFSGSGSGTDYTFTISSLQPEDIATYYCQQGNTFPYTFGQGTKVEIK
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)

• Minimal score value: -2.8632
• Maximal score value: 0.8933
• Average score: -0.6432
• Total score value: -144.7292

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	-1.5542
2	V	H	-1.1427
3	Q	H	-2.0603
4	L	H	0.0000
5	Q	H	-2.2143
6	Q	H	0.0000
7	S	H	-1.2127
8	G	H	-1.0881
9	G	H	-0.5118
11	E	H	-0.1603
12	L	H	0.8933
13	A	H	-0.5076
14	K	H	-1.9719
15	P	H	-1.8762
16	G	H	-1.4689
17	A	H	-1.1314
18	S	H	-1.2759
19	V	H	-1.0084
20	K	H	-1.9739
21	V	H	0.0000
22	S	H	-0.9797
23	C	H	0.0000
24	K	H	-1.8608
25	A	H	0.0000
26	S	H	-1.3347
27	G	H	-1.0901
28	Y	H	-0.4024
29	T	H	-0.0240
30	F	H	0.0000
35	S	H	-0.8058
36	S	H	-0.1370
37	F	H	0.3530
38	W	H	0.3361
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4665
44	Q	H	-0.6906
45	A	H	0.0000
46	P	H	-1.0374
47	G	H	-1.2084
48	Q	H	-1.8433
49	G	H	-1.3193
50	L	H	0.0000
51	E	H	-0.5645
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	0.0000
56	I	H	0.0000
57	N	H	-0.4162
58	P	H	0.0000
59	R	H	-1.8940
62	S	H	-0.9689
63	G	H	-0.5512
64	Y	H	0.5785
65	T	H	0.2575
66	E	H	-0.4906
67	Y	H	-0.7942
68	N	H	0.0000
69	E	H	-1.9120
70	I	H	0.2740
71	F	H	0.0000
72	R	H	-2.8417
74	D	H	-2.7390
75	K	H	-1.7361
76	A	H	0.0000
77	T	H	-1.1428
78	M	H	0.0000
79	T	H	-0.1480
80	T	H	-0.6566
81	D	H	-0.9630
82	T	H	-0.8587
83	S	H	-0.4376
84	T	H	-0.5657
85	S	H	-0.6573
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.6158
89	M	H	0.0000
90	E	H	-1.4698
91	L	H	0.0000
92	S	H	-1.3071
93	S	H	-1.3191
94	L	H	0.0000
95	R	H	-2.7353
96	S	H	-2.1578
97	E	H	-2.4487
98	D	H	0.0000
99	T	H	-0.8220
100	A	H	0.0000
101	V	H	0.0572
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	S	H	0.0000
107	F	H	0.0000
108	L	H	0.6758
109	G	H	-0.6824
110	R	H	-1.6490
113	G	H	0.0000
114	A	H	0.0103
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	0.1397
118	W	H	-0.6098
119	G	H	0.0000
120	Q	H	-1.8471
121	G	H	-1.1109
122	T	H	0.0000
123	T	H	-0.1677
124	V	H	0.0000
125	T	H	-0.3221
126	V	H	0.0000
127	S	H	-0.8389
128	S	H	-0.7064
1	D	L	-2.2752
2	I	L	0.0000
3	Q	L	-2.2957
4	M	L	0.0000
5	T	L	-1.4449
6	Q	L	0.0000
7	S	L	-0.7138
8	P	L	-0.6191
9	S	L	-0.8756
10	S	L	-1.0915
11	L	L	-0.8908
12	S	L	-1.2291
13	A	L	-1.0987
14	S	L	-0.7585
15	V	L	0.1584
16	G	L	-0.5660
17	D	L	-1.7071
18	R	L	-2.2973
19	V	L	0.0000
20	T	L	-0.6637
21	I	L	0.0000
22	T	L	-0.7948
23	C	L	0.0000
24	R	L	-2.8632
25	A	L	0.0000
26	S	L	-2.1669
27	Q	L	-2.5209
28	D	L	-2.5636
29	I	L	0.0000
36	S	L	-0.9910
37	N	L	-0.5716
38	Y	L	-0.2945
39	L	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	-1.0579
45	K	L	-1.4297
46	P	L	-1.0710
47	G	L	-1.6405
48	K	L	-2.4799
49	A	L	-1.4637
50	P	L	0.0000
51	K	L	-0.9922
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3087
56	Y	L	0.2169
57	T	L	0.0000
65	S	L	-0.4710
66	K	L	-0.7375
67	I	L	0.0857
68	H	L	-0.1652
69	S	L	-0.4164
70	G	L	-0.4539
71	V	L	-0.2083
72	P	L	-0.2930
74	S	L	-0.3178
75	R	L	-0.7391
76	F	L	0.0000
77	S	L	-0.4310
78	G	L	0.0000
79	S	L	-0.7109
80	G	L	-1.0014
83	S	L	-1.2264
84	G	L	-1.6648
85	T	L	-2.1574
86	D	L	-2.2425
87	Y	L	0.0000
88	T	L	-0.7155
89	F	L	0.0000
90	T	L	-0.5811
91	I	L	0.0000
92	S	L	-1.2878
93	S	L	-1.1893
94	L	L	0.0000
95	Q	L	-1.0418
96	P	L	-1.0671
97	E	L	-1.6129
98	D	L	0.0000
99	I	L	-0.4320
100	A	L	0.0000
101	T	L	-0.9135
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	G	L	-0.3505
108	N	L	-0.8786
109	T	L	-0.2199
114	F	L	-0.0201
115	P	L	-0.2866
116	Y	L	0.0000
117	T	L	-0.7758
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.6402
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.7287
124	V	L	0.0000
125	E	L	-1.6428
126	I	L	-0.9331
127	K	L	-1.5854