Project name: Y32D

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAVSGLSLTSNSVNWIRQAPGKGLEWVGLIWSNGDTDYNSAIKSRFTISRDTSKSTVYLQMNSLRAEDTAVYYCAREYYGYFDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCLASEGISSDLAWYQQKPGKAPKLLIYGANSLQTGVPSRFSGSGSATDYTLTISSLQPEDFATYYCQQSYKFPNTFGQGTKVEVK
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -2.6077
• Maximal score value: 1.5962
• Average score: -0.5269
• Total score value: -117.4913

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	E	H	-2.0347
2	V	H	-1.0394
3	Q	H	-1.0541
4	L	H	0.0000
5	V	H	0.8860
6	E	H	0.0000
7	S	H	-0.2058
8	G	H	-0.7202
9	G	H	0.1076
11	G	H	0.7541
12	L	H	1.3837
13	V	H	-0.0643
14	Q	H	-1.3737
15	P	H	-1.6438
16	G	H	-1.4360
17	G	H	-1.1810
18	S	H	-0.9973
19	L	H	-0.6736
20	R	H	-1.5725
21	L	H	0.0000
22	S	H	-0.2763
23	C	H	0.0000
24	A	H	-0.0497
25	V	H	0.0000
26	S	H	-0.7387
27	G	H	-1.1407
28	L	H	-0.4877
29	S	H	-0.2357
30	L	H	0.0000
35	T	H	-0.5444
36	S	H	-0.4525
37	N	H	0.0000
38	S	H	0.0000
39	V	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5955
45	A	H	-1.0095
46	P	H	-0.8237
47	G	H	-1.4449
48	K	H	-2.3499
49	G	H	-1.5938
50	L	H	0.0000
51	E	H	-0.9904
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	L	H	0.0000
56	I	H	0.0000
57	W	H	-0.8449
58	S	H	-1.0073
59	N	H	-1.7999
63	G	H	-1.6825
64	D	H	-2.2201
65	T	H	-1.2163
66	D	H	-0.9396
67	Y	H	-0.6130
68	N	H	-0.7855
69	S	H	-0.8716
70	A	H	-0.5141
71	I	H	0.0000
72	K	H	-1.7180
74	S	H	-1.0934
75	R	H	-0.9863
76	F	H	0.0000
77	T	H	-0.7979
78	I	H	0.0000
79	S	H	-0.6034
80	R	H	-0.8103
81	D	H	-1.0863
82	T	H	-1.0255
83	S	H	-1.2179
84	K	H	-1.9948
85	S	H	-1.1700
86	T	H	-0.6442
87	V	H	0.0000
88	Y	H	-0.4629
89	L	H	0.0000
90	Q	H	-1.0350
91	M	H	0.0000
92	N	H	-1.2196
93	S	H	-1.2132
94	L	H	0.0000
95	R	H	-2.3403
96	A	H	-1.7151
97	E	H	-2.2484
98	D	H	0.0000
99	T	H	-0.3733
100	A	H	0.0000
101	V	H	0.7438
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.1827
107	E	H	0.4671
108	Y	H	1.0361
109	Y	H	1.3043
113	G	H	0.0000
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	0.0000
117	Y	H	0.4097
118	W	H	-0.1448
119	G	H	0.0000
120	Q	H	-1.2912
121	G	H	-0.2851
122	T	H	0.5305
123	L	H	1.5962
124	V	H	0.0000
125	T	H	0.3457
126	V	H	0.0000
127	S	H	-0.7402
128	S	H	-0.7051
1	D	L	-2.2190
2	I	L	0.0000
3	Q	L	-1.8556
4	M	L	0.0000
5	T	L	-0.6872
6	Q	L	0.0000
7	S	L	-0.4969
8	P	L	-0.6238
9	S	L	-0.8642
10	S	L	-1.1112
11	L	L	-0.7482
12	S	L	-0.9820
13	A	L	0.0000
14	S	L	-0.2266
15	V	L	0.7131
16	G	L	-0.5398
17	D	L	-1.2787
18	R	L	-2.1323
19	V	L	0.0000
20	T	L	-0.6083
21	I	L	0.0000
22	T	L	-0.3659
23	C	L	0.0000
24	L	L	-0.5080
25	A	L	0.0000
26	S	L	-1.2797
27	E	L	-1.2762
28	G	L	-0.8714
29	I	L	0.0000
36	S	L	-0.6640
37	S	L	-1.1473
38	D	L	-1.1182
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8861
44	Q	L	0.0000
45	K	L	-1.8279
46	P	L	-1.2709
47	G	L	-1.6731
48	K	L	-2.6077
49	A	L	-1.5422
50	P	L	0.0000
51	K	L	-1.1318
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.0935
56	G	L	-0.7002
57	A	L	0.0000
65	N	L	-1.4906
66	S	L	-0.4693
67	L	L	0.0647
68	Q	L	-0.2185
69	T	L	-0.1984
70	G	L	-0.4235
71	V	L	-0.2605
72	P	L	-0.3106
74	S	L	-0.3983
75	R	L	-0.8057
76	F	L	0.0000
77	S	L	-0.5914
78	G	L	-0.7708
79	S	L	-1.1345
80	G	L	-1.2082
83	S	L	-1.1927
84	A	L	-0.9015
85	T	L	-1.0314
86	D	L	-1.6129
87	Y	L	0.0000
88	T	L	-0.6786
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.3653
93	S	L	-1.0280
94	L	L	0.0000
95	Q	L	-0.5137
96	P	L	-0.7540
97	E	L	-1.7413
98	D	L	0.0000
99	F	L	-0.7554
100	A	L	0.0000
101	T	L	-1.1154
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	S	L	0.0252
108	Y	L	-0.1242
109	K	L	-0.7628
114	F	L	0.1704
115	P	L	-0.2464
116	N	L	0.0000
117	T	L	-0.7523
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.7776
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.9136
124	V	L	0.0000
125	E	L	-1.5070
126	V	L	0.3666
127	K	L	-1.0397