Project name: A099

Chain sequence(s)	H: EVKLEESGGGLVQPGGSMKLSCVASGFDFSKYWMSWVRQAPGKGLEWIGEIHPDSSTINYTPSLKDKFIISRDNAKNKLYLQMSKVRSEDTALYYCARKGIYYFNYPFAYWGQGTLVTVSA; L: DIVMTQSHKFMSTSVGDRVSVTCKASQNVGTNVAWYQQKPGQSPKALIYSASYRYSGVPDRFTGSGSGTDFTLTISNVQSEDLAEYFCQQYNSYPYTFGGGTKLEIK
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]                                                (00:00:00)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -3.4018
• Maximal score value: 3.2978
• Average score: -0.5927
• Total score value: -135.1276

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	-2.1728
2	V	H	-1.3938
3	K	H	-1.8674
4	L	H	0.0000
5	E	H	-1.4388
6	E	H	-0.8768
7	S	H	-0.7113
8	G	H	-0.6714
9	G	H	-0.0037
11	G	H	0.6131
12	L	H	1.2455
13	V	H	0.0000
14	Q	H	-1.6877
15	P	H	-2.2048
16	G	H	-2.2672
17	G	H	-1.7733
18	S	H	-1.5150
19	M	H	-0.7708
20	K	H	-0.9688
21	L	H	0.0000
22	S	H	-0.4611
23	C	H	0.0000
24	V	H	-0.4492
25	A	H	0.0000
26	S	H	-1.4121
27	G	H	-1.4381
28	F	H	-1.1771
29	D	H	-1.5734
30	F	H	0.0000
35	S	H	-1.9544
36	K	H	-2.0799
37	Y	H	-0.5519
38	W	H	0.0821
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7504
45	A	H	0.0000
46	P	H	-0.8930
47	G	H	-1.4485
48	K	H	-2.2513
49	G	H	-1.4644
50	L	H	0.0000
51	E	H	-1.1108
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	H	H	-1.0691
58	P	H	-1.8714
59	D	H	-2.3740
62	S	H	-1.2155
63	S	H	-0.7798
64	T	H	-0.2684
65	I	H	0.2953
66	N	H	0.0618
67	Y	H	-0.3982
68	T	H	-0.9821
69	P	H	-1.3004
70	S	H	-1.1653
71	L	H	0.0000
72	K	H	-2.5535
74	D	H	-2.9400
75	K	H	-2.2620
76	F	H	0.0000
77	I	H	0.0088
78	I	H	0.0000
79	S	H	0.0056
80	R	H	-1.1657
81	D	H	-1.6988
82	N	H	-2.1756
83	A	H	-1.4133
84	K	H	-2.2352
85	N	H	-1.7874
86	K	H	-1.1662
87	L	H	0.0000
88	Y	H	-0.0947
89	L	H	0.0000
90	Q	H	-0.4653
91	M	H	0.0000
92	S	H	-1.8272
93	K	H	-2.9736
94	V	H	0.0000
95	R	H	-3.4018
96	S	H	-2.2698
97	E	H	-2.5580
98	D	H	0.0000
99	T	H	-0.6887
100	A	H	0.0000
101	L	H	0.4911
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	K	H	0.0000
108	G	H	0.0000
109	I	H	2.5794
110	Y	H	3.2978
111	Y	H	3.2884
112A	F	H	3.1536
112	N	H	0.0000
113	Y	H	1.4508
114	P	H	0.0000
115	F	H	0.0000
116	A	H	0.3604
117	Y	H	0.2053
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.9548
121	G	H	-0.8380
122	T	H	-0.1380
123	L	H	1.0050
124	V	H	0.0000
125	T	H	0.0701
126	V	H	0.0000
127	S	H	-0.6110
128	A	H	-0.3447
1	D	L	-1.3854
2	I	L	-0.3820
3	V	L	0.9019
4	M	L	0.0000
5	T	L	-0.5555
6	Q	L	-0.7658
7	S	L	-0.9902
8	H	L	-1.0087
9	K	L	-0.8594
10	F	L	0.6306
11	M	L	0.1540
12	S	L	-0.4821
13	T	L	0.0000
14	S	L	-0.9346
15	V	L	-0.0925
16	G	L	-1.1868
17	D	L	-2.0257
18	R	L	-2.5212
19	V	L	0.0000
20	S	L	-0.5048
21	V	L	0.0000
22	T	L	-0.9132
23	C	L	0.0000
24	K	L	-2.0603
25	A	L	0.0000
26	S	L	-1.0803
27	Q	L	-2.2052
28	N	L	-2.4808
29	V	L	0.0000
36	G	L	-1.2779
37	T	L	-0.9743
38	N	L	-0.6977
39	V	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.5093
46	P	L	-1.0053
47	G	L	-1.3622
48	Q	L	-1.9720
49	S	L	-1.3432
50	P	L	0.0000
51	K	L	-1.3485
52	A	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.5664
56	S	L	0.3677
57	A	L	0.0000
65	S	L	0.1436
66	Y	L	0.8757
67	R	L	-0.5628
68	Y	L	-0.1196
69	S	L	-0.3897
70	G	L	-0.8304
71	V	L	-0.8495
72	P	L	-1.2497
74	D	L	-2.1664
75	R	L	-1.7892
76	F	L	0.0000
77	T	L	-0.5391
78	G	L	0.0000
79	S	L	-0.4599
80	G	L	-1.0637
83	S	L	-1.1698
84	G	L	-1.6705
85	T	L	-2.1302
86	D	L	-2.5480
87	F	L	0.0000
88	T	L	-0.7236
89	L	L	0.0000
90	T	L	-0.5544
91	I	L	0.0000
92	S	L	-2.0453
93	N	L	-2.1064
94	V	L	0.0000
95	Q	L	-0.9771
96	S	L	-0.9783
97	E	L	-1.6572
98	D	L	0.0000
99	L	L	-0.5441
100	A	L	0.0000
101	E	L	-0.8335
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	Y	L	0.0000
108	N	L	-1.0057
109	S	L	-0.4680
114	Y	L	0.0058
115	P	L	-0.3678
116	Y	L	0.0000
117	T	L	-0.0739
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.0720
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.5603
124	L	L	0.0000
125	E	L	-0.8573
126	I	L	-0.8308
127	K	L	-1.5416