Project name: obj1 [mutate: TW28C, IV93C]

Chain sequence(s)	C: EVQLVESGGGLVQPGGSLRLSCAASDFTFRSYEMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARLRDGFNKGFDYWGQGTLVTVSS
Selected Chain(s)	C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	IV93C,TW28C
Energy difference between WT (input) and mutated protein (by FoldX)	-0.415469 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:24)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -3.3412
• Maximal score value: 2.127
• Average score: -0.6398
• Total score value: -76.772

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	-2.0063
2	V	C	-0.7883
3	Q	C	-1.2443
4	L	C	0.0000
5	V	C	0.5664
6	E	C	0.2237
7	S	C	-0.4099
8	G	C	-0.8151
9	G	C	-0.0263
10	G	C	0.8946
11	L	C	1.4396
12	V	C	-0.0390
13	Q	C	-1.3371
14	P	C	-1.4887
15	G	C	-1.4134
16	G	C	-0.9785
17	S	C	-1.2309
18	L	C	-0.9631
19	R	C	-2.1462
20	L	C	0.0000
21	S	C	-0.5418
22	C	C	0.0000
23	A	C	-0.2017
24	A	C	0.0000
25	S	C	-0.0450
26	D	C	0.0000
27	F	C	2.1270
28	W	C	1.4505	mutated: TW28C
29	F	C	0.0000
30	R	C	-1.6715
31	S	C	-0.5227
32	Y	C	-1.0033
33	E	C	-1.1673
34	M	C	0.0000
35	S	C	0.0000
36	W	C	0.0000
37	V	C	0.0000
38	R	C	0.0000
39	Q	C	-0.4964
40	A	C	-1.0997
41	P	C	-1.3542
42	G	C	-1.4544
43	K	C	-2.1702
44	G	C	-1.1158
45	L	C	0.2622
46	E	C	-0.4442
47	W	C	0.3162
48	V	C	0.0000
49	S	C	0.0000
50	A	C	0.0000
51	I	C	0.0000
52	S	C	-0.5924
53	G	C	-1.1287
54	S	C	-1.2345
55	G	C	-1.0817
56	G	C	-0.7345
57	S	C	-0.3025
58	T	C	0.1989
59	Y	C	0.6077
60	Y	C	-0.3559
61	A	C	-1.1386
62	D	C	-2.3443
63	S	C	-1.7150
64	V	C	0.0000
65	K	C	-2.3847
66	G	C	-1.6175
67	R	C	0.0000
68	F	C	0.0000
69	T	C	-0.6722
70	I	C	0.0000
71	S	C	-0.5624
72	R	C	-1.3626
73	D	C	-1.9805
74	N	C	-2.0538
75	S	C	-1.7905
76	K	C	-2.3163
77	N	C	-1.5029
78	T	C	0.0000
79	L	C	0.0000
80	Y	C	-0.6696
81	L	C	0.0000
82	Q	C	-1.2337
83	M	C	0.0000
84	N	C	-1.3327
85	S	C	-1.2322
86	L	C	0.0000
87	R	C	-2.4722
88	A	C	-1.8896
89	E	C	-2.3446
90	D	C	0.0000
91	T	C	-0.4887
92	A	C	0.0000
93	V	C	0.7681	mutated: IV93C
94	Y	C	0.0000
95	Y	C	0.5675
96	C	C	0.0000
97	A	C	0.0000
98	R	C	0.0000
99	L	C	0.0000
100	R	C	-3.1992
101	D	C	-3.3412
102	G	C	-2.0930
103	F	C	-1.2310
104	N	C	-2.4286
105	K	C	-3.1848
106	G	C	-1.9076
107	F	C	-0.9859
108	D	C	-1.0994
109	Y	C	-0.2104
110	W	C	0.5589
111	G	C	-0.0666
112	Q	C	-0.9084
113	G	C	0.0224
114	T	C	0.4933
115	L	C	1.6368
116	V	C	0.0000
117	T	C	0.2951
118	V	C	0.0000
119	S	C	-0.7746
120	S	C	-1.0601