Project name: 10H2F4

Chain sequence(s)	H: EVKLLESGGGLVQPGGSLKLSCAASGFDFSGYWMNWVRQAPGKGLEWIGEINPDSRTINYTPSLKDKFIISRDNAKNTLYLQMNKVRSEDTALYYCVRGGWVQGYYVMDYWGQGTSVTDSS; L: DIQMTQTTSSLSASLGDRVIISCRASQDINNYLNWYQQKPDGTVKLLIYYISRLYSGVPSRFSGGGSGTEFSLTISNLEQEDIATYFCQQGNTLPWTFGGGTKLEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:23)

• Minimal score value: -3.0697
• Maximal score value: 1.6881
• Average score: -0.6573
• Total score value: -149.8596

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	-2.1422
2	V	H	-1.3740
3	K	H	-1.5541
4	L	H	0.0000
5	L	H	0.1714
6	E	H	0.0000
7	S	H	-0.3834
8	G	H	-0.6635
9	G	H	-0.3393
11	G	H	0.3539
12	L	H	1.1052
13	V	H	-0.1246
14	Q	H	-1.5545
15	P	H	-1.9821
16	G	H	-1.8326
17	G	H	-1.5371
18	S	H	-1.4308
19	L	H	-0.7891
20	K	H	-1.1205
21	L	H	0.0000
22	S	H	-0.3374
23	C	H	0.0000
24	A	H	-0.4655
25	A	H	0.0000
26	S	H	-1.5289
27	G	H	-1.6674
28	F	H	-1.4202
29	D	H	-2.0612
30	F	H	0.0000
35	S	H	-1.5961
36	G	H	-0.8163
37	Y	H	-0.0380
38	W	H	0.4621
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.9416
45	A	H	-1.2987
46	P	H	-1.0189
47	G	H	-1.4530
48	K	H	-2.3127
49	G	H	-1.4980
50	L	H	0.0000
51	E	H	-1.2537
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	E	H	0.0000
56	I	H	0.0000
57	N	H	-0.8048
58	P	H	-1.1375
59	D	H	-1.9870
62	S	H	-1.5718
63	R	H	-2.1284
64	T	H	-0.8394
65	I	H	0.1100
66	N	H	0.1189
67	Y	H	-0.3035
68	T	H	-0.9858
69	P	H	-1.3438
70	S	H	-1.1379
71	L	H	0.0000
72	K	H	-2.4214
74	D	H	-2.7605
75	K	H	-1.9151
76	F	H	0.0000
77	I	H	0.3303
78	I	H	0.0000
79	S	H	0.0568
80	R	H	-1.0478
81	D	H	-1.4784
82	N	H	-2.0323
83	A	H	-1.3463
84	K	H	-2.3373
85	N	H	-2.1888
86	T	H	-1.1244
87	L	H	0.0000
88	Y	H	-0.1254
89	L	H	0.0000
90	Q	H	-0.4132
91	M	H	0.0000
92	N	H	-1.7357
93	K	H	-2.7118
94	V	H	0.0000
95	R	H	-3.0697
96	S	H	-2.0834
97	E	H	-2.4983
98	D	H	0.0000
99	T	H	-0.7905
100	A	H	0.0000
101	L	H	-0.0190
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	V	H	0.0000
106	R	H	0.0000
107	G	H	0.0000
108	G	H	0.0000
109	W	H	1.5732
110	V	H	1.6881
111	Q	H	-0.1556
112A	G	H	0.0683
112	Y	H	0.9527
113	Y	H	1.2370
114	V	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	0.0649
118	W	H	-0.1939
119	G	H	0.0000
120	Q	H	-1.2891
121	G	H	-0.4564
122	T	H	-0.3564
123	S	H	-0.2194
124	V	H	0.0000
125	T	H	-0.2165
126	D	H	0.0000
127	S	H	-0.5343
128	S	H	-0.4703
1	D	L	-2.1315
2	I	L	0.0000
3	Q	L	-2.1748
4	M	L	0.0000
5	T	L	-1.2640
6	Q	L	-0.8784
7	T	L	-0.5778
8	T	L	-0.4297
9	S	L	-0.6915
10	S	L	-0.7209
11	L	L	-0.1941
12	S	L	-0.6595
13	A	L	0.0000
14	S	L	-1.1250
15	L	L	-0.6490
16	G	L	-1.6376
17	D	L	-1.9646
18	R	L	-2.1271
19	V	L	0.0000
20	I	L	1.4593
21	I	L	0.0000
22	S	L	-0.2733
23	C	L	0.0000
24	R	L	-2.5865
25	A	L	0.0000
26	S	L	-2.1451
27	Q	L	-2.7700
28	D	L	-3.0545
29	I	L	0.0000
36	N	L	-2.0720
37	N	L	-1.1610
38	Y	L	-0.0767
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	-1.0496
45	K	L	-1.6100
46	P	L	-1.3601
47	D	L	-2.2523
48	G	L	-1.5372
49	T	L	-1.3342
50	V	L	0.0000
51	K	L	-1.1307
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3966
56	Y	L	0.1588
57	I	L	0.0000
65	S	L	-0.5385
66	R	L	-0.4591
67	L	L	0.0103
68	Y	L	0.0000
69	S	L	-0.4217
70	G	L	-0.5356
71	V	L	0.0000
72	P	L	-0.3341
74	S	L	-0.4947
75	R	L	-1.0309
76	F	L	0.0000
77	S	L	-0.2040
78	G	L	-0.2045
79	G	L	-0.8513
80	G	L	-1.3415
83	S	L	-1.5583
84	G	L	-2.0974
85	T	L	-2.2783
86	E	L	-2.1697
87	F	L	0.0000
88	S	L	-0.2888
89	L	L	0.0000
90	T	L	0.0859
91	I	L	0.0000
92	S	L	-1.5969
93	N	L	-2.4642
94	L	L	0.0000
95	E	L	-2.4893
96	Q	L	-2.2491
97	E	L	-2.6681
98	D	L	0.0000
99	I	L	-0.7904
100	A	L	0.0000
101	T	L	-0.7410
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	G	L	0.0000
108	N	L	-0.4144
109	T	L	-0.0206
114	L	L	0.2948
115	P	L	-0.2530
116	W	L	0.0000
117	T	L	-0.7844
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.2658
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.3919
124	L	L	0.0000
125	E	L	-0.6067
126	I	L	-0.2921
127	K	L	-1.3166