Project name: fa269869ab7e64f

Chain sequence(s)	A: TEVKVIIQPEKSVVSVAAGDSTVLNCTLTSLLPVGPIRWYRGVSRQLIIYSFTTEHFPRVTNVATKRSNLDFSIRRISNNVTPEDAGTYYCVKFQQRGSPDTEEIQSGGGTEVYYVLA; B: YRYSAVYSSIHPSWCG
Selected Chain(s)	A,B
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -2.7989
• Maximal score value: 1.915
• Average score: -0.4041
• Total score value: -50.5151

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
6	T	A	-1.2048
7	E	A	-2.0533
8	V	A	0.0000
9	K	A	-1.9516
10	V	A	-0.6857
11	I	A	-0.1728
12	Q	A	-0.8651
13	P	A	-1.1007
14	E	A	-1.9967
15	K	A	-2.4776
16	S	A	-1.3239
17	V	A	-0.2700
18	S	A	0.4311
19	V	A	0.0000
20	A	A	-0.2387
21	A	A	-0.8138
22	G	A	-1.7672
23	D	A	-2.3544
24	S	A	-1.5263
25	T	A	0.0000
26	V	A	0.3830
27	L	A	0.0000
28	N	A	-0.4702
29	C	A	0.0000
30	T	A	0.0000
31	L	A	0.0000
32	T	A	-0.8681
33	S	A	-0.1926
34	L	A	1.1380
35	L	A	1.9150
36	P	A	1.1794
37	V	A	1.3767
38	G	A	0.0000
39	P	A	-0.5567
40	I	A	0.0000
41	R	A	-0.2418
42	W	A	0.0000
43	Y	A	0.0000
44	R	A	-0.5483
45	G	A	-0.0707
46	V	A	1.0823
49	S	A	-0.2896
50	R	A	-0.6672
51	Q	A	-1.0956
52	L	A	-0.2117
53	I	A	0.0000
54	Y	A	0.0000
55	S	A	0.0000
56	F	A	0.0000
57	T	A	-0.6747
58	T	A	-0.4133
59	E	A	-1.9122
60	H	A	-1.9885
61	F	A	-0.5704
62	P	A	-0.7520
63	R	A	-0.9551
64	V	A	1.1038
65	T	A	0.5522
66	N	A	0.5243
67	V	A	1.6435
70	A	A	-0.8056
71	T	A	-1.5809
72	K	A	-2.7196
73	R	A	-2.7989
74	S	A	-1.4352
75	N	A	-1.4739
76	L	A	-0.9753
77	D	A	-0.7153
78	F	A	0.0000
79	S	A	0.0000
80	I	A	0.0000
81	R	A	-0.3639
82	I	A	0.0000
83	S	A	-1.1907
84	N	A	-2.2556
85	V	A	0.0000
86	T	A	-1.1970
87	P	A	-0.7830
88	E	A	-1.9140
89	D	A	0.0000
90	A	A	-0.3863
91	G	A	-0.5728
92	T	A	-0.4536
93	Y	A	0.0000
94	Y	A	0.0882
95	C	A	0.0000
96	V	A	0.0000
97	K	A	0.0000
98	F	A	0.0000
99	Q	A	-1.1480
100	R	A	-2.0912
101	G	A	-1.3181
102	S	A	-0.9643
103	P	A	-1.2111
104	D	A	-1.7051
105	T	A	-1.4565
106	E	A	-1.7420
107	I	A	-0.7400
108	Q	A	-1.2649
109	S	A	-0.7249
110	G	A	0.0000
111	G	A	-0.9275
112	G	A	0.0000
113	T	A	0.0000
114	E	A	-1.1484
115	V	A	0.0000
116	Y	A	1.0086
117	V	A	0.5638
118	L	A	1.1555
119	A	A	0.6554
102	Y	B	1.3288
103	R	B	0.0335
104	Y	B	0.3727
105	S	B	0.4633
106	A	B	0.4778
107	V	B	0.6061
108	Y	B	0.4813
109	S	B	0.1504
110	I	B	0.0000
111	H	B	0.0000
112	P	B	-0.3357
113	S	B	0.0922
114	W	B	1.1632
115	C	B	0.9858
116	G	B	0.2096