Project name: 14ab73a03f40bd0 [mutate: YL108H]

Chain sequence(s)	H: QVQLQESGGGVVQPGRSLRLSCAASGFSLTIYGVHWVRQAPGKGLEWLGVVWSDGRTDYNPSLKSRLTISKDNSKNTVYLQMNSLRAEDTAVYYCARYYLGSSFLTYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCSVSQGISNYLNWYQQKPGKAPKLLIYYTSSLHSGVPSRFSGSGSGTDYTFTISSLQPEDIATYYCQQYSILPWTFGQGTKVEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	YL108H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.285984 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 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]       FoldX:    Building mutant model                                                       (00:00:33)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:36)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -2.7556
• Maximal score value: 1.672
• Average score: -0.5549
• Total score value: -124.8439

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	Q	H	-1.5125
2	V	H	-0.9810
3	Q	H	-1.7229
4	L	H	0.0000
5	Q	H	-1.8321
6	E	H	0.0000
7	S	H	-0.8132
8	G	H	-0.4087
9	G	H	0.2316
11	G	H	0.8249
12	V	H	1.5675
13	V	H	-0.3153
14	Q	H	-1.7102
15	P	H	-2.0607
16	G	H	-2.1871
17	R	H	-2.7556
18	S	H	-1.7975
19	L	H	-0.8540
20	R	H	-1.1083
21	L	H	0.0000
22	S	H	-0.6356
23	C	H	0.0000
24	A	H	-1.0470
25	A	H	0.0000
26	S	H	-1.2520
27	G	H	-1.0409
28	F	H	-0.1545
29	S	H	-0.0002
30	L	H	0.0000
35	T	H	-0.1193
36	I	H	1.3602
37	Y	H	1.0958
38	G	H	0.0000
39	V	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5812
45	A	H	-1.0281
46	P	H	-1.0264
47	G	H	-1.4525
48	K	H	-2.3431
49	G	H	-1.5668
50	L	H	0.0000
51	E	H	-0.9029
52	W	H	0.0000
53	L	H	0.0000
54	G	H	0.0000
55	V	H	0.0000
56	V	H	0.0000
57	W	H	-0.9633
58	S	H	-0.8661
59	D	H	-2.2600
63	G	H	-2.1769
64	R	H	-2.6292
65	T	H	-1.4639
66	D	H	-1.1000
67	Y	H	-0.6396
68	N	H	-0.9520
69	P	H	-1.1122
70	S	H	-0.7888
71	L	H	0.0000
72	K	H	-1.5813
74	S	H	-1.0306
75	R	H	-0.9284
76	L	H	0.0000
77	T	H	-0.6080
78	I	H	0.0000
79	S	H	-0.6898
80	K	H	-1.2141
81	D	H	-1.7958
82	N	H	-2.3305
83	S	H	-1.8838
84	K	H	-2.5032
85	N	H	-1.8803
86	T	H	-1.3845
87	V	H	0.0000
88	Y	H	-0.3100
89	L	H	0.0000
90	Q	H	-0.7115
91	M	H	0.0000
92	N	H	-1.5551
93	S	H	-1.7143
94	L	H	0.0000
95	R	H	-2.5869
96	A	H	-1.7113
97	E	H	-2.2723
98	D	H	0.0000
99	T	H	-0.3497
100	A	H	0.0000
101	V	H	0.7899
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	Y	H	0.8537
108	L	H	1.1158	mutated: YL108H
109	L	H	1.2534
110	G	H	0.1039
112	S	H	0.4684
113	S	H	0.4774
114	F	H	0.0000
115	L	H	0.0000
116	T	H	0.2078
117	Y	H	0.1489
118	W	H	-0.4564
119	G	H	0.0000
120	Q	H	-1.9809
121	G	H	-0.7747
122	T	H	0.1673
123	L	H	1.6720
124	V	H	0.0000
125	T	H	0.4249
126	V	H	0.0000
127	S	H	-0.4012
128	S	H	-0.4832
1	D	L	-1.9284
2	I	L	0.0000
3	Q	L	-1.9659
4	M	L	0.0000
5	T	L	-0.8600
6	Q	L	0.0000
7	S	L	-0.4306
8	P	L	-0.6792
9	S	L	-0.9851
10	S	L	-1.3017
11	L	L	-1.0029
12	S	L	-1.3288
13	A	L	-1.1493
14	S	L	-0.8929
15	V	L	-0.0044
16	G	L	-0.8634
17	D	L	-1.9215
18	R	L	-2.3470
19	V	L	0.0000
20	T	L	-0.6644
21	I	L	0.0000
22	T	L	-0.4936
23	C	L	0.0000
24	S	L	-1.1813
25	V	L	0.0000
26	S	L	-1.5351
27	Q	L	-1.6663
28	G	L	-1.2109
29	I	L	0.0000
36	S	L	-0.3472
37	N	L	-0.1331
38	Y	L	0.9383
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	-1.2437
45	K	L	-1.5612
46	P	L	-1.0836
47	G	L	-1.6546
48	K	L	-2.5707
49	A	L	-1.5865
50	P	L	0.0000
51	K	L	-1.3264
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.8804
56	Y	L	1.2247
57	T	L	0.0000
65	S	L	0.1684
66	S	L	0.3673
67	L	L	0.3952
68	H	L	-0.2022
69	S	L	-0.3754
70	G	L	-0.5030
71	V	L	-0.3060
72	P	L	-0.3192
74	S	L	-0.3610
75	R	L	-0.7614
76	F	L	0.0000
77	S	L	-0.2649
78	G	L	0.0000
79	S	L	-0.5926
80	G	L	-1.0023
83	S	L	-1.0765
84	G	L	-1.2010
85	T	L	-1.4895
86	D	L	-2.0139
87	Y	L	0.0000
88	T	L	-0.5818
89	F	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.4420
93	S	L	-1.2649
94	L	L	0.0000
95	Q	L	-0.8840
96	P	L	-1.1667
97	E	L	-1.6699
98	D	L	0.0000
99	I	L	-0.6481
100	A	L	0.0000
101	T	L	0.0000
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	Y	L	0.0000
108	S	L	0.7423
109	I	L	1.4384
114	L	L	0.6958
115	P	L	-0.0386
116	W	L	0.0000
117	T	L	-0.5639
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.7379
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.2000
124	V	L	0.0000
125	E	L	-1.7664
126	I	L	-1.1299
127	K	L	-1.6760