Project name: b64d5a26ed12d08

Chain sequence(s)	H: EVQLVQSGAEVKKPGASVKVSCKASGYKFSSYWIEWVKQAPGQGLEWIGEILPGSDTTNYNEKFKDRATFTSDTSINTAYMELSRLRSDDTAVYYCARDRGNYRAWFGYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQDISNYLNWYQQKPGGAVKFLIYYTSRLHSGVPSRFSGSGSGTDYTLTISSLQPEDFATYFCQQGEALPWTFGGGTKVEIK
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                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -3.7142
• Maximal score value: 1.0265
• Average score: -0.6511
• Total score value: -147.7892

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	-2.1405
2	V	H	-1.4605
3	Q	H	-1.4220
4	L	H	0.0000
5	V	H	0.7542
6	Q	H	0.0000
7	S	H	-0.3231
8	G	H	-0.4296
9	A	H	0.1832
11	E	H	0.0832
12	V	H	0.9607
13	K	H	-0.9092
14	K	H	-2.2662
15	P	H	-2.3830
16	G	H	-2.1207
17	A	H	-1.6430
18	S	H	-1.5438
19	V	H	0.0000
20	K	H	-1.4006
21	V	H	0.0000
22	S	H	-0.3220
23	C	H	0.0000
24	K	H	-0.4614
25	A	H	0.0000
26	S	H	-1.1038
27	G	H	-1.5873
28	Y	H	-1.2509
29	K	H	-1.7295
30	F	H	0.0000
35	S	H	-0.9253
36	S	H	-0.6163
37	Y	H	-0.1923
38	W	H	-0.0197
39	I	H	0.0000
40	E	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.5265
45	A	H	-0.9360
46	P	H	-1.0322
47	G	H	-1.2610
48	Q	H	-1.7637
49	G	H	-1.1771
50	L	H	0.0000
51	E	H	-0.9676
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	-0.2984
58	P	H	0.0000
59	G	H	-0.9056
62	S	H	-0.9636
63	D	H	-1.4067
64	T	H	-0.7799
65	T	H	-0.5087
66	N	H	-0.8551
67	Y	H	-1.5046
68	N	H	-2.2775
69	E	H	-3.6680
70	K	H	-3.4183
71	F	H	0.0000
72	K	H	-3.7142
74	D	H	-3.3874
75	R	H	0.0000
76	A	H	0.0000
77	T	H	-0.8958
78	F	H	0.0000
79	T	H	-0.4245
80	S	H	-0.5708
81	D	H	-0.4379
82	T	H	-0.3819
83	S	H	0.2597
84	I	H	1.0265
85	N	H	-0.4493
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.4529
89	M	H	0.0000
90	E	H	-1.1454
91	L	H	0.0000
92	S	H	-1.7225
93	R	H	-2.6194
94	L	H	0.0000
95	R	H	-2.9245
96	S	H	-2.1140
97	D	H	-2.2858
98	D	H	0.0000
99	T	H	-0.6840
100	A	H	0.0000
101	V	H	0.4725
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	R	H	-0.9450
109	G	H	-0.7832
110	N	H	-0.7904
111	Y	H	0.4099
112	R	H	-0.1769
113	A	H	0.0000
114	W	H	0.0000
115	F	H	0.0000
116	G	H	-0.5329
117	Y	H	-0.2594
118	W	H	-0.2360
119	G	H	0.0000
120	Q	H	-0.9126
121	G	H	-0.1598
122	T	H	0.0000
123	L	H	0.7234
124	V	H	0.0000
125	T	H	-0.0922
126	V	H	0.0000
127	S	H	-0.9181
128	S	H	-0.8411
1	D	L	-2.2165
2	I	L	0.0000
3	Q	L	-2.2560
4	M	L	0.0000
5	T	L	-1.4015
6	Q	L	-1.0577
7	S	L	-0.7159
8	P	L	-0.6856
9	S	L	-0.9347
10	S	L	-1.3701
11	L	L	-0.9314
12	S	L	-1.1316
13	A	L	0.0000
14	S	L	-0.3222
15	V	L	0.6231
16	G	L	-0.5057
17	D	L	-1.4906
18	R	L	-2.1542
19	V	L	0.0000
20	T	L	-0.5665
21	I	L	0.0000
22	T	L	-0.8336
23	C	L	0.0000
24	R	L	-2.9740
25	A	L	0.0000
26	S	L	-2.2464
27	Q	L	-2.7374
28	D	L	-2.8825
29	I	L	0.0000
36	S	L	-1.0151
37	N	L	-0.7673
38	Y	L	-0.2739
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.1384
45	K	L	-1.5374
46	P	L	-0.8261
47	G	L	-0.9752
48	G	L	-1.1287
49	A	L	-1.0253
50	V	L	0.0000
51	K	L	-1.4760
52	F	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.2198
56	Y	L	-0.0312
57	T	L	0.0000
65	S	L	-0.7276
66	R	L	-1.2412
67	L	L	-0.3569
68	H	L	-0.7033
69	S	L	-0.5165
70	G	L	-0.4848
71	V	L	-0.3166
72	P	L	-0.3008
74	S	L	-0.3957
75	R	L	-0.8057
76	F	L	0.0000
77	S	L	-0.5178
78	G	L	-0.4342
79	S	L	-0.6996
80	G	L	-0.9961
83	S	L	-1.2589
84	G	L	-1.7306
85	T	L	-2.2942
86	D	L	-2.3374
87	Y	L	0.0000
88	T	L	-0.7018
89	L	L	0.0000
90	T	L	-0.6105
91	I	L	0.0000
92	S	L	-1.3841
93	S	L	-1.0857
94	L	L	0.0000
95	Q	L	-0.5356
96	P	L	-0.5525
97	E	L	-1.7262
98	D	L	0.0000
99	F	L	-0.8659
100	A	L	0.0000
101	T	L	0.0000
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	G	L	0.0000
108	E	L	-0.5986
109	A	L	-0.0374
114	L	L	0.3336
115	P	L	-0.5412
116	W	L	0.0000
117	T	L	-0.6799
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.1404
121	G	L	-1.0531
122	T	L	0.0000
123	K	L	-2.3501
124	V	L	0.0000
125	E	L	-1.7543
126	I	L	0.3780
127	K	L	-1.0744