Project name: ABTZMAN5

Chain sequence(s)	H: QVQLQQSGGELAKPGASVKVSCKASGYTFSSFWMHWVRQAPGQGLEWIGYINPRSGYTEYNEIFRDKATMTTDTSTSTAYMELSSLRSEDTAVYYCASFLGRGAMDYWGQGTTVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQDISNYLAWYQQKPGKAPKLLIYYTSKIHSGVPSRFSGSGSGTDYTFTISSLQPEDIATYYCQQGNTFPYTFGQGTKVEIK
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                                          (00:01:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)

• Minimal score value: -2.1652
• Maximal score value: 1.689
• Average score: -0.2559
• Total score value: -57.588

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	-1.2090
2	V	H	-0.2834
3	Q	H	-1.1613
4	L	H	0.0000
5	Q	H	-1.1983
6	Q	H	0.0000
7	S	H	-0.1360
8	G	H	-0.5612
9	G	H	-0.6248
11	E	H	-0.1651
12	L	H	1.4825
13	A	H	-0.0200
14	K	H	-1.7293
15	P	H	-0.5005
16	G	H	-0.5127
17	A	H	-0.1104
18	S	H	-0.1813
19	V	H	-0.1270
20	K	H	-1.7696
21	V	H	0.0000
22	S	H	-0.0071
23	C	H	0.0000
24	K	H	-1.1561
25	A	H	0.0000
26	S	H	-0.2013
27	G	H	-0.5470
28	Y	H	0.1249
29	T	H	-0.0309
30	F	H	0.0000
35	S	H	-0.3054
36	S	H	-0.0505
37	F	H	0.5817
38	W	H	0.4721
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.2589
44	Q	H	-0.1701
45	A	H	0.0000
46	P	H	-0.3390
47	G	H	-0.7265
48	Q	H	-1.2995
49	G	H	-0.3167
50	L	H	0.0000
51	E	H	-0.3902
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	-0.1781
58	P	H	0.0000
59	R	H	-1.8894
62	S	H	-0.6241
63	G	H	-0.2448
64	Y	H	1.2328
65	T	H	0.1241
66	E	H	-0.4777
67	Y	H	0.1480
68	N	H	0.0000
69	E	H	-1.4621
70	I	H	1.6890
71	F	H	0.0000
72	R	H	-2.1652
74	D	H	-2.1574
75	K	H	-0.5278
76	A	H	0.0000
77	T	H	-0.0588
78	M	H	0.0000
79	T	H	-0.0323
80	T	H	-0.1047
81	D	H	-0.4888
82	T	H	-0.2000
83	S	H	-0.2364
84	T	H	-0.1062
85	S	H	-0.0626
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	0.2585
89	M	H	0.0000
90	E	H	-0.9798
91	L	H	0.0000
92	S	H	-0.1345
93	S	H	-0.2867
94	L	H	0.0000
95	R	H	-1.5281
96	S	H	-0.8089
97	E	H	-1.8579
98	D	H	0.0000
99	T	H	-0.0206
100	A	H	0.0000
101	V	H	0.4197
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	0.9655
109	G	H	-0.6016
110	R	H	-1.9246
113	G	H	0.0000
114	A	H	0.0070
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	0.3933
118	W	H	0.1914
119	G	H	0.0000
120	Q	H	-1.0449
121	G	H	-0.2371
122	T	H	0.0000
123	T	H	-0.0451
124	V	H	0.0000
125	T	H	0.1341
126	V	H	0.0000
127	S	H	-0.3125
128	S	H	-0.2316
1	D	L	-1.7894
2	I	L	0.0000
3	Q	L	-1.1983
4	M	L	0.0000
5	T	L	-0.0694
6	Q	L	0.0000
7	S	L	-0.1573
8	P	L	-0.2038
9	S	L	-0.2702
10	S	L	-0.3537
11	L	L	0.1665
12	S	L	-0.3591
13	A	L	-0.0395
14	S	L	0.0663
15	V	L	1.6612
16	G	L	-0.2228
17	D	L	-1.2457
18	R	L	-2.0129
19	V	L	0.0000
20	T	L	-0.0636
21	I	L	0.0000
22	T	L	-0.0381
23	C	L	0.0000
24	R	L	-1.9492
25	A	L	0.0000
26	S	L	-0.3669
27	Q	L	-1.1842
28	D	L	-1.7142
29	I	L	0.0000
36	S	L	-0.1749
37	N	L	-0.2357
38	Y	L	0.2855
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	-0.1975
45	K	L	-0.4736
46	P	L	-0.4116
47	G	L	-0.8138
48	K	L	-1.7806
49	A	L	-0.3001
50	P	L	0.0000
51	K	L	-0.7945
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.6381
56	Y	L	0.6850
57	T	L	0.0000
65	S	L	-0.4166
66	K	L	-1.1523
67	I	L	0.5068
68	H	L	-0.0042
69	S	L	-0.3156
70	G	L	-0.4723
71	V	L	0.0704
72	P	L	-0.1558
74	S	L	-0.2810
75	R	L	-0.2677
76	F	L	0.0000
77	S	L	-0.1541
78	G	L	0.0000
79	S	L	-0.2535
80	G	L	-0.3022
83	S	L	-0.2747
84	G	L	-0.3654
85	T	L	-0.3806
86	D	L	-1.1060
87	Y	L	0.0000
88	T	L	-0.0217
89	F	L	0.0000
90	T	L	-0.0209
91	I	L	0.0000
92	S	L	-0.2960
93	S	L	-0.4448
94	L	L	0.0000
95	Q	L	-0.7660
96	P	L	-0.6782
97	E	L	-1.8598
98	D	L	0.0000
99	I	L	1.0827
100	A	L	0.0000
101	T	L	-0.1922
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	-0.1545
108	N	L	-0.5683
109	T	L	0.0126
114	F	L	0.7571
115	P	L	0.1844
116	Y	L	0.0000
117	T	L	-0.0117
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-0.9986
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2454
124	V	L	0.0000
125	E	L	-1.6003
126	I	L	-0.0303
127	K	L	-1.5985