Project name: 4YPG

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYSISWVRQAPGQGLEWMGWISVYNGNTNYAQKFQGRVTMTTDTSTSTAYLELRSLRSDDTAVYYCARDPIAAGYWGQGTLVTVSS; L: EIVLTQSPGTLSLSPGERATLSCRASQSVSSTYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPRTFGQGTKVEIK
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -3.3379
• Maximal score value: 1.112
• Average score: -0.5861
• Total score value: -131.2852

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	-1.4030
2	V	H	-0.7512
3	Q	H	-0.9866
4	L	H	0.0000
5	V	H	0.2704
6	Q	H	0.0000
7	S	H	-0.4639
8	G	H	-0.4292
9	A	H	0.3558
11	E	H	0.2443
12	V	H	1.1120
13	K	H	-0.8850
14	K	H	-2.1576
15	P	H	-2.3082
16	G	H	-1.6873
17	A	H	-1.3516
18	S	H	-1.4775
19	V	H	0.0000
20	K	H	-1.8932
21	V	H	0.0000
22	S	H	-0.4512
23	C	H	0.0000
24	K	H	-0.7436
25	A	H	0.0000
26	S	H	-0.7298
27	G	H	-0.9353
28	Y	H	-0.2950
29	T	H	-0.0370
30	F	H	0.0000
35	T	H	0.2421
36	S	H	0.3712
37	Y	H	0.6638
38	S	H	0.1087
39	I	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.4720
45	A	H	-0.8414
46	P	H	-0.7109
47	G	H	-1.2105
48	Q	H	-1.8735
49	G	H	-1.3475
50	L	H	0.0000
51	E	H	-0.8402
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	W	H	-0.2719
56	I	H	0.0000
57	S	H	-0.5303
58	V	H	0.0000
59	Y	H	0.4224
62	N	H	-1.2316
63	G	H	-1.4043
64	N	H	-1.8011
65	T	H	-1.1749
66	N	H	-1.2424
67	Y	H	-1.1666
68	A	H	0.0000
69	Q	H	-2.7635
70	K	H	-2.6655
71	F	H	0.0000
72	Q	H	-2.4391
74	G	H	-1.6034
75	R	H	-1.5196
76	V	H	0.0000
77	T	H	-0.7062
78	M	H	0.0000
79	T	H	-0.4569
80	T	H	-0.3714
81	D	H	-0.6842
82	T	H	-0.2496
83	S	H	-0.4265
84	T	H	-0.5119
85	S	H	-0.5854
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3212
89	L	H	0.0000
90	E	H	-1.1164
91	L	H	0.0000
92	R	H	-1.5289
93	S	H	-1.4153
94	L	H	0.0000
95	R	H	-3.0205
96	S	H	-2.2887
97	D	H	-2.3359
98	D	H	0.0000
99	T	H	-0.6301
100	A	H	0.0000
101	V	H	0.6416
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	D	H	0.0000
108	P	H	0.0455
109	I	H	0.0000
114	A	H	0.0967
115	A	H	0.1993
116	G	H	-0.1644
117	Y	H	0.0139
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.1454
121	G	H	-0.3739
122	T	H	0.0000
123	L	H	0.9934
124	V	H	0.0000
125	T	H	-0.0163
126	V	H	0.0000
127	S	H	-1.2019
128	S	H	-1.2556
1	E	L	-1.7841
2	I	L	0.0000
3	V	L	0.5615
4	L	L	0.0000
5	T	L	-0.8078
6	Q	L	0.0000
7	S	L	-0.9825
8	P	L	-0.6197
9	G	L	-1.0048
10	T	L	-0.7296
11	L	L	-0.2669
12	S	L	-0.3327
13	L	L	-0.4285
14	S	L	-0.9246
15	P	L	-1.4404
16	G	L	-1.8559
17	E	L	-2.3309
18	R	L	-3.0091
19	A	L	0.0000
20	T	L	-0.6190
21	L	L	0.0000
22	S	L	-0.9169
23	C	L	0.0000
24	R	L	-2.3264
25	A	L	0.0000
26	S	L	-1.0403
27	Q	L	-1.7436
28	S	L	-1.3764
29	V	L	0.0000
30	S	L	-0.3027
36	S	L	-0.3019
37	T	L	0.1288
38	Y	L	0.5873
39	L	L	0.0000
40	A	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	-1.3180
46	P	L	-0.9398
47	G	L	-1.3735
48	Q	L	-1.9953
49	A	L	-1.2925
50	P	L	0.0000
51	R	L	-1.5431
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2371
56	G	L	0.0679
57	A	L	0.0000
65	S	L	-0.5209
66	S	L	-0.4768
67	R	L	-1.1314
68	A	L	-0.6265
69	T	L	-0.4946
70	G	L	-0.8543
71	I	L	0.0000
72	P	L	-1.2798
74	D	L	-2.3501
75	R	L	-2.0243
76	F	L	0.0000
77	S	L	-0.8706
78	G	L	-0.4458
79	S	L	-0.6474
80	G	L	-1.0316
83	S	L	-1.0202
84	G	L	-1.1927
85	T	L	-1.7273
86	D	L	-2.0483
87	F	L	0.0000
88	T	L	-0.7539
89	L	L	0.0000
90	T	L	-0.8126
91	I	L	0.0000
92	S	L	-2.2494
93	R	L	-3.3379
94	L	L	0.0000
95	E	L	-2.5305
96	P	L	-1.2548
97	E	L	-1.9865
98	D	L	0.0000
99	F	L	-0.3533
100	A	L	0.0000
101	V	L	-0.3450
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	Y	L	0.0510
108	G	L	-0.2702
109	S	L	-0.6418
114	S	L	-0.9197
115	P	L	-1.0314
116	R	L	-0.3472
117	T	L	-0.2720
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.3619
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.0004
124	V	L	0.0000
125	E	L	-0.0352
126	I	L	0.8887
127	K	L	-0.8324