Project name: 3.28B11_A3D

Chain sequence(s)	H: QVQLQQSGAELMKPGASVKLSCKATGYTFTGYWIEWVKQRPGHGLEWIGEILPGSGSTNYNEKFKGKATFTADTSSNTAYMQLSSLTTDESAIYYCARWILLRYVMDYWGQGTSVTVSS; L: DIQMNQSPSSLSASLGDTITITCHASQNINVWLSWYQQKPGHIPKLLIYKASNLHTGVPSRFSGSGSGTGFTLTITSLQPEDIATYYCQQGQSFPWTFGGGTNLEIK
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                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -3.3278
• Maximal score value: 2.6314
• Average score: -0.5476
• Total score value: -123.7672

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	-1.3896
2	V	H	-0.8556
3	Q	H	-1.3596
4	L	H	0.0000
5	Q	H	-1.8704
6	Q	H	0.0000
7	S	H	-1.1098
8	G	H	-0.7136
9	A	H	-0.1677
11	E	H	-0.1729
12	L	H	0.8368
13	M	H	-0.3022
14	K	H	-1.6493
15	P	H	-1.1882
16	G	H	-1.1362
17	A	H	-0.8876
18	S	H	-1.1046
19	V	H	0.0000
20	K	H	-2.0960
21	L	H	0.0000
22	S	H	-1.0079
23	C	H	0.0000
24	K	H	-1.9626
25	A	H	0.0000
26	T	H	-1.1042
27	G	H	-0.9236
28	Y	H	-0.3988
29	T	H	-0.1525
30	F	H	0.0000
35	T	H	-0.2728
36	G	H	0.0539
37	Y	H	0.5672
38	W	H	0.5826
39	I	H	0.0000
40	E	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	-0.5458
44	Q	H	-0.7866
45	R	H	-1.4328
46	P	H	-0.9688
47	G	H	-1.2844
48	H	H	-1.7229
49	G	H	-1.2482
50	L	H	0.0000
51	E	H	-0.9474
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	E	H	0.0000
56	I	H	0.0000
57	L	H	-0.1535
58	P	H	0.0000
59	G	H	-0.7922
62	S	H	-0.6870
63	G	H	-0.7996
64	S	H	-0.5284
65	T	H	-0.3213
66	N	H	-0.5422
67	Y	H	-1.0435
68	N	H	0.0000
69	E	H	-3.3278
70	K	H	-3.2071
71	F	H	0.0000
72	K	H	-3.0907
74	G	H	-2.0327
75	K	H	-1.8136
76	A	H	0.0000
77	T	H	-0.9473
78	F	H	0.0000
79	T	H	-0.3578
80	A	H	-0.7777
81	D	H	-1.3053
82	T	H	-0.9834
83	S	H	-0.6515
84	S	H	-0.8492
85	N	H	-1.0707
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.7232
89	M	H	0.0000
90	Q	H	-1.5692
91	L	H	0.0000
92	S	H	-0.9681
93	S	H	-0.8647
94	L	H	0.0000
95	T	H	-1.1409
96	T	H	-1.2328
97	D	H	-1.8343
98	E	H	0.0000
99	S	H	-0.6060
100	A	H	0.0000
101	I	H	0.1415
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	W	H	0.0000
108	I	H	1.6968
109	L	H	2.6314
110	L	H	2.4464
112	R	H	1.3652
113	Y	H	1.1992
114	V	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	0.2714
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.2646
121	G	H	-0.6893
122	T	H	0.0000
123	S	H	-0.1368
124	V	H	0.0000
125	T	H	-0.1124
126	V	H	0.0000
127	S	H	-0.5529
128	S	H	-0.7346
1	D	L	-2.1797
2	I	L	0.0000
3	Q	L	-2.3757
4	M	L	0.0000
5	N	L	-2.1938
6	Q	L	-1.2791
7	S	L	-0.9025
8	P	L	-0.6063
9	S	L	-0.8007
10	S	L	-0.8248
11	L	L	-0.5985
12	S	L	-1.0549
13	A	L	-0.9318
14	S	L	-0.9405
15	L	L	-0.2262
16	G	L	-0.5189
17	D	L	-1.0541
18	T	L	-0.6074
19	I	L	0.0000
20	T	L	-0.1596
21	I	L	0.0000
22	T	L	-0.6528
23	C	L	0.0000
24	H	L	-2.0961
25	A	L	-2.0397
26	S	L	-2.0194
27	Q	L	-2.4327
28	N	L	-2.3253
29	I	L	0.0000
36	N	L	-1.7953
37	V	L	-0.7032
38	W	L	-0.2241
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.3165
46	P	L	-0.8371
47	G	L	-1.1746
48	H	L	-1.5621
49	I	L	-0.6434
50	P	L	0.0000
51	K	L	-1.3180
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0001
56	K	L	-0.5153
57	A	L	0.0000
65	S	L	-0.6024
66	N	L	-0.7015
67	L	L	-0.0592
68	H	L	-0.3501
69	T	L	-0.2632
70	G	L	-0.4092
71	V	L	-0.2656
72	P	L	-0.2920
74	S	L	-0.3696
75	R	L	-0.5490
76	F	L	0.0000
77	S	L	-0.3620
78	G	L	-0.4508
79	S	L	-0.6107
80	G	L	-0.7375
83	S	L	-1.0418
84	G	L	-1.4332
85	T	L	-1.4706
86	G	L	-1.2566
87	F	L	0.0000
88	T	L	-0.4481
89	L	L	0.0000
90	T	L	-0.2217
91	I	L	0.0000
92	T	L	-0.6096
93	S	L	-0.6165
94	L	L	0.0000
95	Q	L	-0.9102
96	P	L	-1.2695
97	E	L	-1.8435
98	D	L	0.0000
99	I	L	-0.6179
100	A	L	0.0000
101	T	L	-0.7330
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	0.0000
108	Q	L	-0.6325
109	S	L	0.0343
114	F	L	0.5819
115	P	L	-0.3514
116	W	L	0.0000
117	T	L	-0.6162
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.4586
121	G	L	-0.9589
122	T	L	0.0000
123	N	L	-1.2428
124	L	L	0.0000
125	E	L	-1.7341
126	I	L	-1.4228
127	K	L	-1.8786