Project name: 22.C6C4

Chain sequence(s)	H: QVQLQQPGAELVKPGASVKLSCKASGYTFTTFWMHWVKQRPGRGLEWIGRIAPNSGDTKYNEKFKSKATLTADKSSSTAYMQLSSLTSEDSAVYYCARPDYWGQGTTLTVSS; L: DIQMTQSPSSLSASLGERVSLTCRASQKINGFLSWLQQKPDGTIKRLINAAAILDSGVPKRFSGSRSGSDYSLTISSLKSEDFADYYCLQYASYPWTFGGGTTLEIK
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.4405
• Maximal score value: 1.939
• Average score: -0.6602
• Total score value: -144.5932

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	-1.5200
2	V	H	-0.9038
3	Q	H	-1.7610
4	L	H	0.0000
5	Q	H	-2.0995
6	Q	H	0.0000
7	P	H	-0.9881
8	G	H	-0.9277
9	A	H	-0.2617
11	E	H	-0.3852
12	L	H	0.8109
13	V	H	-0.2568
14	K	H	-1.6340
15	P	H	-1.3066
16	G	H	-1.0869
17	A	H	-0.8527
18	S	H	-1.0738
19	V	H	0.0000
20	K	H	-2.0351
21	L	H	0.0000
22	S	H	-0.9242
23	C	H	0.0000
24	K	H	-1.8027
25	A	H	0.0000
26	S	H	-1.2727
27	G	H	-1.0460
28	Y	H	-0.3273
29	T	H	-0.2535
30	F	H	0.0000
35	T	H	-0.8198
36	T	H	0.1079
37	F	H	0.8432
38	W	H	0.4756
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-1.0614
45	R	H	-1.6394
46	P	H	-1.2272
47	G	H	-1.6260
48	R	H	-2.5603
49	G	H	-1.6167
50	L	H	0.0000
51	E	H	-1.3008
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.4607
56	I	H	0.0000
57	A	H	0.0000
58	P	H	0.0000
59	N	H	-1.8171
62	S	H	-1.3970
63	G	H	-1.5099
64	D	H	-1.2603
65	T	H	-0.8908
66	K	H	-1.5651
67	Y	H	-1.6658
68	N	H	-2.3753
69	E	H	-3.4405
70	K	H	-3.2299
71	F	H	0.0000
72	K	H	-3.1261
74	S	H	-1.7687
75	K	H	-1.4970
76	A	H	0.0000
77	T	H	-0.8025
78	L	H	0.0000
79	T	H	-0.6931
80	A	H	-1.1174
81	D	H	-1.8166
82	K	H	-2.4677
83	S	H	-1.2820
84	S	H	-1.0754
85	S	H	-1.2416
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.5840
89	M	H	0.0000
90	Q	H	-1.3374
91	L	H	0.0000
92	S	H	-0.8186
93	S	H	-0.7789
94	L	H	0.0000
95	T	H	-1.2746
96	S	H	-1.4496
97	E	H	-2.0136
98	D	H	0.0000
99	S	H	-0.6905
100	A	H	0.0000
101	V	H	-0.0787
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	P	H	0.2274
116	D	H	-0.2036
117	Y	H	0.2086
118	W	H	-0.3005
119	G	H	0.0000
120	Q	H	-1.3472
121	G	H	0.0000
122	T	H	0.0000
123	T	H	-0.1825
124	L	H	0.0000
125	T	H	-0.1632
126	V	H	0.0000
127	S	H	-0.6396
128	S	H	-0.7737
1	D	L	-2.1357
2	I	L	0.0000
3	Q	L	-2.2138
4	M	L	0.0000
5	T	L	-1.3401
6	Q	L	-1.0919
7	S	L	-0.7404
8	P	L	-0.3944
9	S	L	-0.4896
10	S	L	-0.3762
11	L	L	-0.0295
12	S	L	-0.2791
13	A	L	0.0000
14	S	L	-0.4787
15	L	L	0.0636
16	G	L	-1.0191
17	E	L	-1.8646
18	R	L	-2.2702
19	V	L	0.0000
20	S	L	-0.6168
21	L	L	0.0000
22	T	L	-0.9132
23	C	L	0.0000
24	R	L	-2.8846
25	A	L	0.0000
26	S	L	-2.1267
27	Q	L	-2.6106
28	K	L	-2.7569
29	I	L	0.0000
36	N	L	-1.8385
37	G	L	-0.6322
38	F	L	0.7239
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	L	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.4971
46	P	L	-1.3754
47	D	L	-2.2016
48	G	L	-1.4513
49	T	L	-1.1431
50	I	L	0.0000
51	K	L	-0.9796
52	R	L	-0.7064
53	L	L	0.0000
54	I	L	0.0000
55	N	L	0.6766
56	A	L	0.6686
57	A	L	0.0000
65	A	L	0.7311
66	I	L	1.9390
67	L	L	0.5316
68	D	L	-0.3775
69	S	L	-0.5279
70	G	L	-0.8771
71	V	L	0.0000
72	P	L	-1.2270
74	K	L	-2.0275
75	R	L	-1.6197
76	F	L	0.0000
77	S	L	-0.3109
78	G	L	-0.1134
79	S	L	-0.8713
80	R	L	-2.3016
83	S	L	-1.5518
84	G	L	-1.6936
85	S	L	-2.1848
86	D	L	-2.0779
87	Y	L	0.0000
88	S	L	-0.9892
89	L	L	0.0000
90	T	L	-0.6504
91	I	L	0.0000
92	S	L	-1.5663
93	S	L	-1.3860
94	L	L	0.0000
95	K	L	-1.4283
96	S	L	-1.0052
97	E	L	-1.9376
98	D	L	0.0000
99	F	L	-0.3101
100	A	L	-0.6436
101	D	L	-0.5684
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	Q	L	0.0000
107	Y	L	0.6990
108	A	L	0.0749
109	S	L	-0.0014
114	Y	L	0.1598
115	P	L	-0.7770
116	W	L	0.0000
117	T	L	-0.5940
118	F	L	-0.3186
119	G	L	0.0000
120	G	L	-1.0497
121	G	L	0.0000
122	T	L	0.0000
123	T	L	-0.4343
124	L	L	0.0000
125	E	L	-0.0837
126	I	L	0.9450
127	K	L	-0.8092