Project name: 4B4

Chain sequence(s)	H: QVQLQQSGAVLMKPGASVKISCKATGYSFTNYWIDWIKQRPGHGLEWIGENLPGTRNNYNENFKGKATFTADPSSNTAYIQLNSLTSDDSAVYYCAREALGGDYGLDYWGQGTSLTVSS; L: DVVMTQTPRSLPVSLGDQASMSCRSSQSLKHSNGDTYLHWYLQKPGQSPNLLIYKVSNRFSGVPDRFSGSGSGTEFTFKISRVEAEDLGVYFCSQSTHVPYTFGGGTRLEIK
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)

• Minimal score value: -3.0414
• Maximal score value: 1.4055
• Average score: -0.6425
• Total score value: -148.4202

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	-1.5922
2	V	H	0.0000
3	Q	H	-1.9304
4	L	H	0.0000
5	Q	H	-2.1472
6	Q	H	0.0000
7	S	H	-0.8906
8	G	H	-0.6713
9	A	H	0.3641
11	V	H	0.9735
12	L	H	1.4055
13	M	H	-0.0188
14	K	H	-1.6485
15	P	H	-1.5077
16	G	H	-1.1447
17	A	H	-0.9224
18	S	H	-0.9720
19	V	H	0.0000
20	K	H	-1.1547
21	I	H	0.0000
22	S	H	-0.6958
23	C	H	0.0000
24	K	H	-1.7129
25	A	H	0.0000
26	T	H	-1.3249
27	G	H	-1.1259
28	Y	H	-0.7330
29	S	H	-0.6206
30	F	H	0.0000
35	T	H	-0.8017
36	N	H	-1.0272
37	Y	H	-0.1337
38	W	H	0.0000
39	I	H	0.0000
40	D	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	K	H	0.0000
44	Q	H	-0.5695
45	R	H	-1.1384
46	P	H	-0.9125
47	G	H	-1.2083
48	H	H	-1.5510
49	G	H	-0.9167
50	L	H	0.0000
51	E	H	-0.6886
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	E	H	0.0000
56	N	H	0.0000
57	L	H	-0.9055
58	P	H	-0.9792
59	G	H	-1.2193
63	T	H	-1.3567
64	R	H	-2.2911
65	N	H	-1.5986
66	N	H	-1.1114
67	Y	H	-1.1631
68	N	H	0.0000
69	E	H	-3.0414
70	N	H	-2.7167
71	F	H	0.0000
72	K	H	-2.8963
74	G	H	-1.9025
75	K	H	-1.6566
76	A	H	0.0000
77	T	H	-0.8390
78	F	H	0.0000
79	T	H	-0.5177
80	A	H	-0.6883
81	D	H	-0.8707
82	P	H	-0.7649
83	S	H	-0.6304
84	S	H	-0.7565
85	N	H	-1.0111
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2220
89	I	H	0.0000
90	Q	H	-0.9162
91	L	H	0.0000
92	N	H	-0.9352
93	S	H	-0.9139
94	L	H	0.0000
95	T	H	-1.2234
96	S	H	-1.3641
97	D	H	-1.8558
98	D	H	0.0000
99	S	H	-0.4715
100	A	H	0.0000
101	V	H	0.1642
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	E	H	0.2066
108	A	H	0.3968
109	L	H	1.1189
110	G	H	0.2042
111	G	H	0.1639
112	D	H	0.1636
113	Y	H	0.6392
114	G	H	0.0000
115	L	H	0.0000
116	D	H	-0.0492
117	Y	H	-0.1835
118	W	H	-0.5303
119	G	H	0.0000
120	Q	H	-1.8347
121	G	H	-0.9315
122	T	H	0.0000
123	S	H	0.1825
124	L	H	0.0000
125	T	H	0.1592
126	V	H	0.0000
127	S	H	-0.5933
128	S	H	-0.7636
1	D	L	-1.3932
2	V	L	0.0000
3	V	L	0.8045
4	M	L	0.0000
5	T	L	-0.5083
6	Q	L	0.0000
7	T	L	-1.0785
8	P	L	-1.1669
9	R	L	-2.0919
10	S	L	-1.3404
11	L	L	-0.7357
12	P	L	-0.8472
13	V	L	0.0000
14	S	L	-0.7450
15	L	L	-0.2046
16	G	L	-1.3338
17	D	L	-2.0357
18	Q	L	-2.2318
19	A	L	0.0000
20	S	L	-0.8235
21	M	L	0.0000
22	S	L	-1.1464
23	C	L	0.0000
24	R	L	-2.1857
25	S	L	0.0000
26	S	L	-0.9404
27	Q	L	-1.8425
28	S	L	-1.8372
29	L	L	0.0000
30	K	L	-2.5905
31	H	L	-2.0125
32	S	L	-1.5993
34	N	L	-2.0756
35	G	L	-1.8320
36	D	L	-1.6310
37	T	L	-1.4345
38	Y	L	-0.4374
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	-0.8813
45	K	L	-1.3167
46	P	L	-0.9368
47	G	L	-1.4118
48	Q	L	-2.0263
49	S	L	-1.2522
50	P	L	0.0000
51	N	L	-0.9925
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.2851
56	K	L	-0.7629
57	V	L	0.0000
65	S	L	-0.9487
66	N	L	-1.1527
67	R	L	-1.6805
68	F	L	-0.5453
69	S	L	-0.5929
70	G	L	-0.8002
71	V	L	-0.8172
72	P	L	-1.1642
74	D	L	-2.1846
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.2153
78	G	L	0.0000
79	S	L	-0.9912
80	G	L	-1.3194
83	S	L	-1.2171
84	G	L	-1.6602
85	T	L	-2.0065
86	E	L	-2.3941
87	F	L	0.0000
88	T	L	-1.0382
89	F	L	0.0000
90	K	L	-1.4476
91	I	L	0.0000
92	S	L	-2.1417
93	R	L	-2.5463
94	V	L	0.0000
95	E	L	-2.1853
96	A	L	-1.1971
97	E	L	-2.0371
98	D	L	0.0000
99	L	L	-0.5655
100	G	L	0.0000
101	V	L	-0.2876
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	S	L	0.0000
106	Q	L	0.0000
107	S	L	0.3671
108	T	L	-0.4402
109	H	L	-0.1557
114	V	L	1.0808
115	P	L	0.0419
116	Y	L	0.5604
117	T	L	0.3093
118	F	L	0.3583
119	G	L	0.0000
120	G	L	-0.6612
121	G	L	0.0000
122	T	L	0.0000
123	R	L	-1.2255
124	L	L	0.0000
125	E	L	-0.6841
126	I	L	-0.0405
127	K	L	-1.3075