Project name: 13H10F1

Chain sequence(s)	H: DVQLVESGGGLVQPGGSRKLSCAASGFTFSRFGMHWIRQSPEKGLEWVAYISSGSTTIYYADTVKGRFTISRDNPKNTLFLQMTSLRSEDTAIYYCARSGYDGYPFANWGQGTLVTVTA; L: DIFLTQSPAILSVSPGERVSFSCRASQSIGTDIHWYQQRTNVSPRLLIKYASESMSGIPSRFSGSGSGTDFTLTINSVESEDIADYYCQHTNNWPWTFGGGTKLEIK
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                                          (00:02:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:49)

• Minimal score value: -3.3063
• Maximal score value: 1.7591
• Average score: -0.5988
• Total score value: -135.3231

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	D	H	-2.0559
2	V	H	-1.2952
3	Q	H	-1.4614
4	L	H	0.0000
5	V	H	0.7480
6	E	H	0.0000
7	S	H	-0.1423
8	G	H	-0.5076
9	G	H	0.2420
11	G	H	0.8809
12	L	H	1.3192
13	V	H	-0.1666
14	Q	H	-1.3327
15	P	H	-1.5101
16	G	H	-1.3387
17	G	H	-1.0518
18	S	H	-1.4007
19	R	H	-1.4429
20	K	H	-1.9086
21	L	H	0.0000
22	S	H	-0.3273
23	C	H	0.0000
24	A	H	-0.2389
25	A	H	0.0000
26	S	H	-1.0820
27	G	H	-1.3024
28	F	H	-0.8064
29	T	H	-0.7219
30	F	H	0.0000
35	S	H	-1.4943
36	R	H	-1.8369
37	F	H	0.0000
38	G	H	-0.2928
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5710
45	S	H	0.0000
46	P	H	-1.5519
47	E	H	-2.8425
48	K	H	-2.8852
49	G	H	-1.7281
50	L	H	0.0000
51	E	H	-0.8072
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	Y	H	0.6647
56	I	H	0.0000
57	S	H	-0.2872
58	S	H	-1.0795
59	G	H	-0.9102
62	S	H	-0.3852
63	T	H	-0.1365
64	T	H	0.3638
65	I	H	1.1004
66	Y	H	0.7663
67	Y	H	-0.3736
68	A	H	0.0000
69	D	H	-2.4133
70	T	H	-1.6434
71	V	H	0.0000
72	K	H	-2.5017
74	G	H	-1.6725
75	R	H	-1.3814
76	F	H	0.0000
77	T	H	-0.6653
78	I	H	0.0000
79	S	H	-0.2604
80	R	H	-0.9434
81	D	H	-1.4391
82	N	H	-1.8544
83	P	H	-1.5928
84	K	H	-2.3888
85	N	H	-1.8476
86	T	H	-0.9783
87	L	H	0.0000
88	F	H	-0.3710
89	L	H	0.0000
90	Q	H	-1.5387
91	M	H	0.0000
92	T	H	-1.1375
93	S	H	-1.1006
94	L	H	0.0000
95	R	H	-2.0686
96	S	H	-1.6581
97	E	H	-1.9055
98	D	H	0.0000
99	T	H	-0.2012
100	A	H	0.0000
101	I	H	1.1051
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	S	H	0.0000
108	G	H	0.0000
109	Y	H	0.1100
110	D	H	-1.2379
112	G	H	-0.6884
113	Y	H	-0.2851
114	P	H	0.0000
115	F	H	0.0000
116	A	H	-0.2278
117	N	H	-0.6992
118	W	H	-0.3966
119	G	H	0.0000
120	Q	H	-0.6525
121	G	H	0.2004
122	T	H	0.7005
123	L	H	1.7591
124	V	H	0.0000
125	T	H	0.4791
126	V	H	0.0000
127	T	H	-0.2980
128	A	H	-0.2166
1	D	L	-1.6089
2	I	L	0.0000
3	F	L	0.9260
4	L	L	0.0000
5	T	L	-0.4288
6	Q	L	-0.3620
7	S	L	-0.3499
8	P	L	0.1620
9	A	L	0.3926
10	I	L	1.1229
11	L	L	0.3130
12	S	L	-0.2872
13	V	L	0.0000
14	S	L	-1.8108
15	P	L	-2.0793
16	G	L	-2.3235
17	E	L	-3.1567
18	R	L	-3.3063
19	V	L	0.0000
20	S	L	-0.8641
21	F	L	0.0000
22	S	L	-0.6795
23	C	L	0.0000
24	R	L	-1.7423
25	A	L	0.0000
26	S	L	-0.8095
27	Q	L	-1.5786
28	S	L	-1.4792
29	I	L	0.0000
36	G	L	-1.1558
37	T	L	-0.8731
38	D	L	-1.0929
39	I	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	R	L	-1.0072
46	T	L	-0.5094
47	N	L	-1.0759
48	V	L	-0.0579
49	S	L	-0.4521
50	P	L	0.0000
51	R	L	-1.1025
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	K	L	-0.8132
56	Y	L	-0.6517
57	A	L	0.0000
65	S	L	-1.3335
66	E	L	-2.0509
67	S	L	-1.1953
68	M	L	-0.6205
69	S	L	-0.5794
70	G	L	-0.4822
71	I	L	-0.3063
72	P	L	-0.3129
74	S	L	-0.6397
75	R	L	-1.2696
76	F	L	0.0000
77	S	L	-0.9876
78	G	L	-0.7868
79	S	L	-0.8149
80	G	L	-0.9610
83	S	L	-1.0524
84	G	L	-1.2551
85	T	L	-1.5661
86	D	L	-1.8057
87	F	L	0.0000
88	T	L	-0.6620
89	L	L	0.0000
90	T	L	-0.9412
91	I	L	0.0000
92	N	L	-2.7817
93	S	L	-2.6116
94	V	L	0.0000
95	E	L	-2.4100
96	S	L	-1.6321
97	E	L	-1.9551
98	D	L	0.0000
99	I	L	0.1258
100	A	L	0.0000
101	D	L	-0.5264
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	H	L	0.0000
107	T	L	-0.8789
108	N	L	-1.6464
109	N	L	-1.8786
114	W	L	-0.7186
115	P	L	-0.9184
116	W	L	-0.4177
117	T	L	-0.2254
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.9997
121	G	L	-0.6183
122	T	L	0.0000
123	K	L	-0.4672
124	L	L	0.0000
125	E	L	-0.5858
126	I	L	-0.9355
127	K	L	-1.7749