Project name: A208

Chain sequence(s)	H: EVQLVESGGGLVKPGGSLKLSCAASGFTFGSYGMSWVRQTPNKRLEWVATISSGGSFTDYPDSVKGRFTISRDNAKNTLNLQMSSLKSEDTAMYYCARREYNFDGFAYWGQGTLVTVSA; L: DIVLTQSPASLAVSLGQRATISCRASQSVSTSSYSYMHWYQQKPGQPPKLLIKYASNLDSGVPARFSGSGSGTDFTLTINPVEAGDVATYYCQQSNEDPPTFGAGTKLELK
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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -3.167
• Maximal score value: 1.6609
• Average score: -0.586
• Total score value: -134.7893

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	-1.9548
2	V	H	-0.8400
3	Q	H	-0.7620
4	L	H	0.0000
5	V	H	1.1189
6	E	H	0.0000
7	S	H	-0.2138
8	G	H	-0.6022
9	G	H	0.1379
11	G	H	0.8333
12	L	H	1.3132
13	V	H	-0.2122
14	K	H	-1.7004
15	P	H	-1.6570
16	G	H	-1.4002
17	G	H	-1.1307
18	S	H	-1.1076
19	L	H	-1.0022
20	K	H	-2.1804
21	L	H	0.0000
22	S	H	-0.5702
23	C	H	0.0000
24	A	H	-0.1279
25	A	H	0.0000
26	S	H	-0.8086
27	G	H	-1.0927
28	F	H	-0.4605
29	T	H	-0.2302
30	F	H	0.0000
35	G	H	-1.0219
36	S	H	-0.1391
37	Y	H	0.1000
38	G	H	0.0889
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	0.0000
45	T	H	-1.7713
46	P	H	-1.8805
47	N	H	-2.6794
48	K	H	-3.1670
49	R	H	-2.9010
50	L	H	0.0000
51	E	H	-0.7969
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	T	H	-0.3763
56	I	H	0.0000
57	S	H	0.0471
58	S	H	-0.3374
59	G	H	-0.6333
62	G	H	-0.3472
63	S	H	0.4382
64	F	H	1.3963
65	T	H	0.2327
66	D	H	-1.4633
67	Y	H	-1.6824
68	P	H	-2.0226
69	D	H	-2.5340
70	S	H	-1.6185
71	V	H	0.0000
72	K	H	-2.3786
74	G	H	-1.6153
75	R	H	-1.4459
76	F	H	0.0000
77	T	H	-1.1296
78	I	H	0.0000
79	S	H	-0.5754
80	R	H	-1.4955
81	D	H	-2.2745
82	N	H	-2.1224
83	A	H	-1.5976
84	K	H	-2.5025
85	N	H	-1.8608
86	T	H	-1.2359
87	L	H	0.0000
88	N	H	-1.0808
89	L	H	0.0000
90	Q	H	-1.7295
91	M	H	0.0000
92	S	H	-1.0715
93	S	H	-1.0965
94	L	H	0.0000
95	K	H	-2.2400
96	S	H	-1.8988
97	E	H	-2.3365
98	D	H	0.0000
99	T	H	-0.4385
100	A	H	0.0000
101	M	H	0.4702
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	R	H	-0.0592
108	E	H	0.2200
109	Y	H	0.7647
110	N	H	-0.2366
112	F	H	0.6112
113	D	H	0.0000
114	G	H	0.0000
115	F	H	0.0000
116	A	H	0.0000
117	Y	H	0.3275
118	W	H	-0.0547
119	G	H	0.0000
120	Q	H	-1.0842
121	G	H	-0.0963
122	T	H	0.5719
123	L	H	1.6609
124	V	H	0.0000
125	T	H	0.2702
126	V	H	0.0000
127	S	H	-0.5739
128	A	H	-0.3827
1	D	L	-1.8924
2	I	L	0.0000
3	V	L	0.8374
4	L	L	0.0000
5	T	L	-0.4782
6	Q	L	-0.5501
7	S	L	-0.5748
8	P	L	-0.3617
9	A	L	-0.3357
10	S	L	-0.7648
11	L	L	-0.6434
12	A	L	-0.9083
13	V	L	0.0000
14	S	L	-1.1612
15	L	L	-0.2105
16	G	L	-1.2806
17	Q	L	-2.4355
18	R	L	-2.8513
19	A	L	0.0000
20	T	L	-0.6448
21	I	L	0.0000
22	S	L	-0.8575
23	C	L	0.0000
24	R	L	-2.2158
25	A	L	0.0000
26	S	L	-0.7232
27	Q	L	-1.1089
28	S	L	-1.0205
29	V	L	0.0000
30	S	L	-0.3024
31	T	L	-0.0866
34	S	L	-0.1791
35	S	L	0.0325
36	Y	L	0.7231
37	S	L	0.1302
38	Y	L	0.2796
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.7596
44	Q	L	0.0000
45	K	L	-1.4434
46	P	L	-1.0928
47	G	L	-1.4902
48	Q	L	-2.1141
49	P	L	-1.3245
50	P	L	0.0000
51	K	L	-1.0646
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	K	L	-0.3221
56	Y	L	0.0479
57	A	L	0.0000
65	S	L	-0.6200
66	N	L	-0.7616
67	L	L	-0.0378
68	D	L	-0.4017
69	S	L	-0.4179
70	G	L	-0.4413
71	V	L	-0.2074
72	P	L	-0.2347
74	A	L	-0.2332
75	R	L	-1.0187
76	F	L	0.0000
77	S	L	-0.4700
78	G	L	-0.4644
79	S	L	-0.7352
80	G	L	-0.9749
83	S	L	-0.8369
84	G	L	-0.8957
85	T	L	-1.4852
86	D	L	-1.9404
87	F	L	0.0000
88	T	L	-0.7433
89	L	L	0.0000
90	T	L	-0.7960
91	I	L	0.0000
92	N	L	-2.1232
93	P	L	-1.9374
94	V	L	0.0000
95	E	L	-1.6967
96	A	L	-0.6773
97	G	L	-0.6406
98	D	L	0.0000
99	V	L	-0.2310
100	A	L	0.0000
101	T	L	-0.8956
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	S	L	-0.6620
108	N	L	-0.9824
109	E	L	-2.0312
114	D	L	-2.6881
115	P	L	-2.1869
116	P	L	0.0000
117	T	L	-0.4973
118	F	L	0.0000
119	G	L	0.0000
120	A	L	-0.8296
121	G	L	-0.9348
122	T	L	0.0000
123	K	L	-1.1513
124	L	L	0.0000
125	E	L	-1.6579
126	L	L	-1.0633
127	K	L	-1.6022