Project name: 25.C5C6

Chain sequence(s)	H: QVQLQQPGAEFVRPGASVILSCKASGYTFTNYWIHWVKQRPGRGLEWIGRIIPNSGDTKYNERFKSKATLTAAKSSSTAYMQLSSLTSEDSAVYFCTRPDYWGQGTTLTVSS; L: DIQMTQSPSSLSASLGERVSLTCRASQEISKYLSWLQQKPDGTIKRLINAAVILDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYTSYPWTFGGGTKLEIK
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -3.6413
• Maximal score value: 2.4731
• Average score: -0.6065
• Total score value: -132.8176

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	-1.4185
2	V	H	-0.8223
3	Q	H	-1.4850
4	L	H	0.0000
5	Q	H	-2.0333
6	Q	H	-1.4004
7	P	H	-0.9739
8	G	H	-0.9505
9	A	H	0.0160
11	E	H	0.6347
12	F	H	1.3596
13	V	H	-0.0731
14	R	H	-1.7393
15	P	H	-1.4931
16	G	H	-1.1744
17	A	H	-0.9193
18	S	H	-0.2335
19	V	H	0.0000
20	I	H	1.7471
21	L	H	0.0000
22	S	H	0.0513
23	C	H	0.0000
24	K	H	-1.2628
25	A	H	0.0000
26	S	H	-0.9946
27	G	H	-0.9118
28	Y	H	-0.4331
29	T	H	-0.4913
30	F	H	0.0000
35	T	H	-1.3142
36	N	H	-1.1445
37	Y	H	0.0745
38	W	H	0.0475
39	I	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	-0.8696
45	R	H	-1.3338
46	P	H	-1.1381
47	G	H	-1.5344
48	R	H	-2.3582
49	G	H	-1.4728
50	L	H	0.0000
51	E	H	-0.9857
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.8523
56	I	H	0.0000
57	I	H	-0.9459
58	P	H	0.0000
59	N	H	-2.1427
62	S	H	-1.7799
63	G	H	-1.9192
64	D	H	-2.4919
65	T	H	-1.7286
66	K	H	-2.3441
67	Y	H	-1.8580
68	N	H	0.0000
69	E	H	-3.6413
70	R	H	-3.2904
71	F	H	0.0000
72	K	H	-3.2150
74	S	H	-1.7473
75	K	H	-1.5279
76	A	H	0.0000
77	T	H	-0.3468
78	L	H	0.0000
79	T	H	-0.3085
80	A	H	-0.7565
81	A	H	-1.1328
82	K	H	-2.1672
83	S	H	-1.0902
84	S	H	-0.8578
85	S	H	-0.9386
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	0.4993
89	M	H	0.0000
90	Q	H	0.3793
91	L	H	0.0000
92	S	H	-0.3051
93	S	H	-0.8221
94	L	H	0.0000
95	T	H	-1.0253
96	S	H	-1.0152
97	E	H	-1.2236
98	D	H	0.0000
99	S	H	-0.2987
100	A	H	0.0000
101	V	H	-0.0045
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	R	H	0.0000
107	P	H	0.0108
116	D	H	-0.3696
117	Y	H	0.0699
118	W	H	-0.4176
119	G	H	0.0000
120	Q	H	-1.7548
121	G	H	0.0000
122	T	H	0.0000
123	T	H	-0.0474
124	L	H	0.0000
125	T	H	0.1503
126	V	H	0.0000
127	S	H	-0.5683
128	S	H	-0.7563
1	D	L	-2.3135
2	I	L	0.0000
3	Q	L	-2.2563
4	M	L	0.0000
5	T	L	-1.3017
6	Q	L	-1.0417
7	S	L	-0.8166
8	P	L	-0.5333
9	S	L	-0.7446
10	S	L	-0.8964
11	L	L	-0.4159
12	S	L	-0.5911
13	A	L	0.0000
14	S	L	-0.5346
15	L	L	-0.1023
16	G	L	-1.1640
17	E	L	-1.8945
18	R	L	-2.3561
19	V	L	0.0000
20	S	L	-0.6146
21	L	L	0.0000
22	T	L	-0.8034
23	C	L	0.0000
24	R	L	-2.8270
25	A	L	0.0000
26	S	L	-2.2771
27	Q	L	-2.8946
28	E	L	-2.8116
29	I	L	0.0000
36	S	L	-1.0151
37	K	L	-0.6171
38	Y	L	0.7550
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	-1.5606
46	P	L	-1.3765
47	D	L	-2.2712
48	G	L	-1.5377
49	T	L	-1.3320
50	I	L	0.0000
51	K	L	-1.0314
52	R	L	-0.7120
53	L	L	0.0000
54	I	L	0.0000
55	N	L	0.8269
56	A	L	0.9952
57	A	L	0.0000
65	V	L	1.7708
66	I	L	2.4731
67	L	L	0.9233
68	D	L	-0.1271
69	S	L	-0.3101
70	G	L	-0.8294
71	V	L	0.0000
72	P	L	-1.1147
74	K	L	-1.9042
75	R	L	-1.4769
76	F	L	0.0000
77	S	L	-0.0152
78	G	L	0.5496
79	S	L	-0.1175
80	R	L	-1.2372
83	S	L	-1.1045
84	G	L	-1.3529
85	S	L	-2.0263
86	D	L	-1.8800
87	Y	L	0.0000
88	S	L	-0.6027
89	L	L	0.0000
90	T	L	-0.6195
91	I	L	0.0000
92	S	L	-1.5721
93	S	L	-1.4837
94	L	L	0.0000
95	E	L	-1.8223
96	S	L	-1.0577
97	E	L	-1.8894
98	D	L	0.0000
99	F	L	-0.6782
100	A	L	0.0000
101	D	L	-0.9998
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	0.6762
108	T	L	0.2474
109	S	L	-0.0533
114	Y	L	-0.0281
115	P	L	-0.9476
116	W	L	-0.1768
117	T	L	-0.4669
118	F	L	-0.2518
119	G	L	0.0000
120	G	L	-1.0632
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.5475
124	L	L	0.0000
125	E	L	-0.9295
126	I	L	0.7966
127	K	L	-0.8885