Project name: 21.34E10

Chain sequence(s)	H: QVQLQQPGTELVKPGASVKLSCKTSGYTFTSYWLHWVKQRPGQGLEWIGNINPNNGGTNYNEKFKTKATLTVDKSSSTAYMQLSRLTSEDSAVYYCLRLGPYYSNYFDYWGQGTTLTVSS; L: QIVLTQSPAIVSASPGEKVTISCSASSSVSYMYWYQQKPGSSPKPWIYRTSNLASGVPTRFSGSGSGTSYSLTISGMEAEDAATYYCQHFHNYPFTFGSGTKLEIK
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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)

• Minimal score value: -3.2966
• Maximal score value: 1.9035
• Average score: -0.5623
• Total score value: -127.0825

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	-1.4364
2	V	H	-0.9661
3	Q	H	-1.6155
4	L	H	0.0000
5	Q	H	-2.1311
6	Q	H	-1.5557
7	P	H	-1.1519
8	G	H	-1.0910
9	T	H	-0.2971
11	E	H	-0.2854
12	L	H	0.8442
13	V	H	-0.2721
14	K	H	-1.8436
15	P	H	-1.7016
16	G	H	-1.7907
17	A	H	-1.4396
18	S	H	-1.6263
19	V	H	0.0000
20	K	H	-1.9224
21	L	H	0.0000
22	S	H	-0.8888
23	C	H	0.0000
24	K	H	-1.6459
25	T	H	0.0000
26	S	H	-1.1324
27	G	H	-0.9606
28	Y	H	-0.3756
29	T	H	-0.1042
30	F	H	0.0000
35	T	H	-1.1299
36	S	H	-0.3595
37	Y	H	0.1353
38	W	H	0.0496
39	L	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	-0.5322
44	Q	H	-0.8643
45	R	H	-1.4018
46	P	H	-1.0592
47	G	H	-1.3517
48	Q	H	-1.8568
49	G	H	-1.1850
50	L	H	0.0000
51	E	H	-0.8931
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	N	H	0.0000
56	I	H	0.0000
57	N	H	-1.0511
58	P	H	0.0000
59	N	H	-2.3663
62	N	H	-2.2854
63	G	H	-1.5086
64	G	H	-1.0453
65	T	H	-0.5594
66	N	H	-0.8000
67	Y	H	-1.1617
68	N	H	0.0000
69	E	H	-3.2966
70	K	H	-3.1132
71	F	H	0.0000
72	K	H	-2.9362
74	T	H	-1.7808
75	K	H	-1.7515
76	A	H	0.0000
77	T	H	-0.7609
78	L	H	0.0000
79	T	H	-0.4329
80	V	H	-0.9046
81	D	H	-1.5187
82	K	H	-2.4206
83	S	H	-1.2070
84	S	H	-0.9901
85	S	H	-1.1306
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4636
89	M	H	0.0000
90	Q	H	-1.2957
91	L	H	0.0000
92	S	H	-1.5708
93	R	H	-2.4070
94	L	H	0.0000
95	T	H	-1.6314
96	S	H	-1.4204
97	E	H	-2.0070
98	D	H	0.0000
99	S	H	-0.6723
100	A	H	0.0000
101	V	H	-0.1563
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	L	H	0.0000
106	R	H	0.0000
107	L	H	0.0000
108	G	H	0.0000
109	P	H	0.9785
110	Y	H	1.9035
111	Y	H	1.9023
112	S	H	0.6980
113	N	H	0.5388
114	Y	H	0.3762
115	F	H	0.0000
116	D	H	-0.1357
117	Y	H	0.0747
118	W	H	-0.4250
119	G	H	0.0000
120	Q	H	-1.6512
121	G	H	0.0000
122	T	H	0.0000
123	T	H	-0.2604
124	L	H	0.0000
125	T	H	-0.1347
126	V	H	0.0000
127	S	H	-0.5441
128	S	H	-0.7293
1	Q	L	-1.2006
2	I	L	0.0000
3	V	L	1.3174
4	L	L	0.0000
5	T	L	0.1674
6	Q	L	0.0000
7	S	L	-0.0709
8	P	L	0.2183
9	A	L	0.6079
10	I	L	1.3962
11	V	L	0.3625
12	S	L	-0.5311
13	A	L	0.0000
14	S	L	-1.7532
15	P	L	-1.7411
16	G	L	-1.9543
17	E	L	-2.5457
18	K	L	-2.5534
19	V	L	0.0000
20	T	L	-0.6236
21	I	L	0.0000
22	S	L	-0.3403
23	C	L	0.0000
24	S	L	-0.1679
25	A	L	0.0000
26	S	L	0.0254
27	S	L	-0.3761
28	S	L	-0.6012
29	V	L	0.0000
37	S	L	-0.4562
38	Y	L	0.0523
39	M	L	0.0000
40	Y	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9271
45	K	L	-1.2598
46	P	L	-0.8646
47	G	L	-0.9373
48	S	L	-0.9856
49	S	L	-0.8039
50	P	L	0.0000
51	K	L	-0.9753
52	P	L	-0.4138
53	W	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3681
56	R	L	-0.7214
57	T	L	0.0000
65	S	L	-0.8326
66	N	L	-1.1571
67	L	L	-0.3950
68	A	L	-0.4215
69	S	L	-0.5161
70	G	L	-0.5356
71	V	L	0.0000
72	P	L	-0.2616
74	T	L	-0.2664
75	R	L	-0.7953
76	F	L	0.0000
77	S	L	-0.4358
78	G	L	0.0000
79	S	L	-0.6904
80	G	L	-0.6740
83	S	L	-0.5690
84	G	L	-0.5348
85	T	L	-0.5172
86	S	L	-0.6505
87	Y	L	0.0000
88	S	L	-0.4000
89	L	L	0.0000
90	T	L	-0.5583
91	I	L	0.0000
92	S	L	-1.5874
93	G	L	-1.8637
94	M	L	0.0000
95	E	L	-2.0996
96	A	L	-1.4894
97	E	L	-1.5785
98	D	L	0.0000
99	A	L	-1.2900
100	A	L	0.0000
101	T	L	0.0000
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	H	L	0.0000
107	F	L	-0.3602
108	H	L	-1.4208
109	N	L	-1.5882
114	Y	L	-0.6019
115	P	L	-0.9508
116	F	L	0.0000
117	T	L	-0.0700
118	F	L	0.0000
119	G	L	0.0000
120	S	L	-0.4432
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6922
124	L	L	0.0000
125	E	L	-1.0876
126	I	L	-1.1170
127	K	L	-1.7129