Project name: TLFESSM wo I to L

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCATSGSIFSINAMGWFRQAPGKQRELVAVITSGGSTIYAESVKGRFTISRDNSKNTVYLQMSSLRPEDTAVYYCNAHVGLKVPTIQELSLGFGSWGQGTMVTVSS
Selected Chain(s)	H
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 H 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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -2.6435
• Maximal score value: 2.2502
• Average score: -0.3336
• Total score value: -42.0357

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	-2.1421
2	V	H	0.0000
3	Q	H	-1.4180
4	L	H	0.0000
5	L	H	0.8672
6	E	H	0.1775
7	S	H	-0.3409
8	G	H	-0.7709
9	G	H	-0.0753
11	G	H	0.6366
12	L	H	1.3402
13	V	H	0.0258
14	Q	H	-1.3236
15	P	H	-1.5523
16	G	H	-1.2833
17	G	H	-0.7944
18	S	H	-0.8299
19	L	H	-0.4091
20	R	H	-1.2284
21	L	H	0.0000
22	S	H	-0.2711
23	C	H	0.0000
24	A	H	-0.2582
25	T	H	0.0000
26	S	H	-1.0214
27	G	H	-0.9424
28	S	H	-0.1049
29	I	H	0.5263
30	F	H	2.2502
35	S	H	0.0000
36	I	H	0.0000
37	N	H	-0.4963
38	A	H	-0.7233
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	0.4554
43	R	H	0.0000
44	Q	H	-0.9897
45	A	H	-1.1247
46	P	H	-0.9580
47	G	H	-1.3288
48	K	H	-1.9247
49	Q	H	-2.1355
50	R	H	-1.4998
51	E	H	-0.7825
52	L	H	0.6207
53	V	H	0.0000
54	A	H	0.0000
55	V	H	1.1400
56	I	H	0.0000
57	T	H	-0.4828
58	S	H	-1.0584
59	G	H	-0.8963
63	G	H	-0.7616
64	S	H	-0.0820
65	T	H	0.8256
66	I	H	1.8385
67	Y	H	0.3734
68	A	H	-0.6494
69	E	H	-2.2545
70	S	H	-1.7420
71	V	H	0.0000
72	K	H	-2.3016
74	G	H	-1.6444
75	R	H	-1.2785
76	F	H	0.0000
77	T	H	-0.3802
78	I	H	0.0000
79	S	H	-0.4685
80	R	H	-1.2571
81	D	H	-1.8851
82	N	H	-2.3872
83	S	H	-1.9428
84	K	H	-2.6435
85	N	H	-1.8025
86	T	H	-1.2265
87	V	H	0.0000
88	Y	H	-0.3953
89	L	H	0.0000
90	Q	H	-0.7717
91	M	H	0.0000
92	S	H	-0.8005
93	S	H	-0.9773
94	L	H	0.0000
95	R	H	-2.3044
96	P	H	-1.9286
97	E	H	-2.3466
98	D	H	0.0000
99	T	H	-0.6018
100	A	H	0.0000
101	V	H	0.3598
102	Y	H	0.0000
103	Y	H	0.2893
104	C	H	0.0000
105	N	H	0.0317
106	A	H	0.0000
107	H	H	-0.6228
108	V	H	0.0555
109	G	H	0.0000
110	L	H	1.2443
111	K	H	0.0000
111A	V	H	1.9126
111B	P	H	0.8061
111C	T	H	1.2526
112D	I	H	1.8190
112C	Q	H	0.5947
112B	E	H	0.7657
112A	L	H	1.5020
112	S	H	1.0648
113	L	H	1.4737
114	G	H	0.2068
115	F	H	0.3462
116	G	H	-0.5532
117	S	H	0.0000
118	W	H	0.0820
119	G	H	-0.3018
120	Q	H	-0.7389
121	G	H	-0.1185
122	T	H	0.0741
123	M	H	0.6644
124	V	H	0.0000
125	T	H	0.1453
126	V	H	0.0000
127	S	H	-0.7686
128	S	H	-0.6993