Project name: twst

Chain sequence(s)	C: EVQLQESGGGLVQPGGSLRLSCASSGSIFSYKDMAWYRRAPGKERWLVGIITRGDYTNYDASVKGRFTISKDNAKNMMYLQMNSLKPEDTAVYYCRYWGDNIWGQGTQVTVSS
Selected Chain(s)	C
Distance of aggregation	5 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 C 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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -2.3162
• Maximal score value: 1.5549
• Average score: -0.3409
• Total score value: -38.5226

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	C	-1.7717
2	V	C	-0.2942
3	Q	C	-1.1499
4	L	C	0.0000
5	Q	C	-1.2473
6	E	C	-0.5313
7	S	C	-0.2907
8	G	C	-0.2438
9	G	C	-0.3532
10	G	C	0.0658
11	L	C	1.5549
12	V	C	0.2706
13	Q	C	-1.1710
14	P	C	-0.3653
15	G	C	-0.5008
16	G	C	-0.1973
17	S	C	-0.2253
18	L	C	-0.1365
19	R	C	-1.8327
20	L	C	0.0000
21	S	C	-0.0121
22	C	C	0.0000
23	A	C	-0.0968
24	S	C	0.0000
25	S	C	-0.2353
26	G	C	-0.2004
27	S	C	-0.2355
28	I	C	0.0000
29	F	C	0.0000
30	S	C	0.0193
31	Y	C	1.1819
32	K	C	-0.0908
33	D	C	-0.3758
34	M	C	0.0000
35	A	C	0.0000
36	W	C	0.0000
37	Y	C	0.1498
38	R	C	-0.3009
39	R	C	-0.8227
40	A	C	-0.1483
41	P	C	-0.3385
42	G	C	-0.8253
43	K	C	-2.1223
44	E	C	-2.3162
45	R	C	-1.1906
46	W	C	1.0887
47	L	C	0.6807
48	V	C	0.0000
49	G	C	0.0000
50	I	C	0.3053
51	I	C	0.0000
52	T	C	-0.3849
53	R	C	-1.8471
54	G	C	-1.1174
55	D	C	-1.6314
56	Y	C	0.9809
57	T	C	0.0988
58	N	C	-0.6570
59	Y	C	-0.0024
60	D	C	-0.3714
61	A	C	-0.0584
62	S	C	-0.2022
63	V	C	0.0000
64	K	C	-1.7864
65	G	C	-0.8385
66	R	C	-0.3975
67	F	C	0.0000
68	T	C	-0.0453
69	I	C	0.0000
70	S	C	-0.2208
71	K	C	-0.3956
72	D	C	-1.2118
73	N	C	-1.0656
74	A	C	-0.4128
75	K	C	-1.7171
76	N	C	-0.5348
77	M	C	0.1269
78	M	C	0.0000
79	Y	C	0.2116
80	L	C	0.0000
81	Q	C	-0.4843
82	M	C	0.0000
83	N	C	-0.7080
84	S	C	-0.3525
85	L	C	0.0000
86	K	C	-1.0561
87	P	C	-0.6873
88	E	C	-1.8504
89	D	C	0.0000
90	T	C	-0.0180
91	A	C	0.0000
92	V	C	0.1279
93	Y	C	0.0000
94	Y	C	0.0000
95	C	C	0.0000
96	R	C	-0.2174
97	Y	C	0.2542
98	W	C	0.5999
99	G	C	-0.4893
100	D	C	-1.1052
101	N	C	-1.3735
102	I	C	0.0603
103	W	C	0.2345
104	G	C	-0.2249
105	Q	C	-1.2262
106	G	C	-0.3272
107	T	C	-0.2788
108	Q	C	-1.1645
109	V	C	0.0000
110	T	C	-0.0122
111	V	C	0.0000
112	S	C	-0.1960
113	S	C	-0.2419