Project name: 3E3B11

Chain sequence(s)	H: EVQLVETGGGLVQPNGSLKLSCAASGFTFNAVAMNWVRQAPGKGLEWVARIRSKSNNFATYYADSVKDRFTISRDDSQNLLYLQMNSLKTEDTAMYYCVRGGSPYALDYWGQGTSVTVSS; L: DIVMTQSPATLSVTPGDRVSLSCRASQSISDYLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGSDFTLSINSVEPEDVGVYYCQNGHSIPPTFGAGTKLELK
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -2.9818
• Maximal score value: 1.2781
• Average score: -0.6126
• Total score value: -139.0687

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	-1.9862
2	V	H	-0.9524
3	Q	H	-0.7317
4	L	H	0.0000
5	V	H	1.2781
6	E	H	0.0000
7	T	H	-0.1866
8	G	H	-0.7081
9	G	H	-0.3163
11	G	H	0.2900
12	L	H	1.1645
13	V	H	-0.1385
14	Q	H	-1.4957
15	P	H	-1.9056
16	N	H	-2.2142
17	G	H	-1.3548
18	S	H	-1.2957
19	L	H	-0.7199
20	K	H	-1.5228
21	L	H	0.0000
22	S	H	-0.0222
23	C	H	0.0000
24	A	H	0.2656
25	A	H	0.0000
26	S	H	-0.5738
27	G	H	-1.1047
28	F	H	-0.4144
29	T	H	-0.2356
30	F	H	0.0000
35	N	H	-1.2980
36	A	H	-0.6180
37	V	H	-0.4010
38	A	H	0.0000
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	0.0000
45	A	H	-1.1737
46	P	H	-0.9826
47	G	H	-1.4274
48	K	H	-2.1301
49	G	H	-1.1231
50	L	H	0.0000
51	E	H	-0.8380
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	R	H	0.0000
56	I	H	0.0000
57	R	H	-1.4172
58	S	H	-1.7822
59	K	H	-2.7200
60	S	H	-1.9721
61	N	H	-2.3171
62	N	H	-2.3407
63	F	H	-1.3211
64	A	H	-0.8695
65	T	H	-0.1050
66	Y	H	0.2714
67	Y	H	-0.5247
68	A	H	-1.2920
69	D	H	-2.4279
70	S	H	-1.8050
71	V	H	0.0000
72	K	H	-2.5538
74	D	H	-2.7717
75	R	H	-2.0633
76	F	H	0.0000
77	T	H	-0.8593
78	I	H	0.0000
79	S	H	-0.1573
80	R	H	0.0000
81	D	H	-1.0309
82	D	H	-1.4953
83	S	H	-1.2187
84	Q	H	-1.5951
85	N	H	-1.2365
86	L	H	-0.2849
87	L	H	0.0000
88	Y	H	-0.2639
89	L	H	0.0000
90	Q	H	-1.0037
91	M	H	0.0000
92	N	H	-1.6341
93	S	H	-1.7506
94	L	H	0.0000
95	K	H	-2.4585
96	T	H	-1.8777
97	E	H	-2.2807
98	D	H	0.0000
99	T	H	-0.6962
100	A	H	0.0000
101	M	H	-0.0404
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	V	H	0.0000
106	R	H	-0.0031
107	G	H	0.0000
108	G	H	-0.1527
109	S	H	-0.2908
110	P	H	0.0865
113	Y	H	0.2007
114	A	H	0.0000
115	L	H	0.0000
116	D	H	0.0471
117	Y	H	0.4830
118	W	H	0.1176
119	G	H	0.0000
120	Q	H	-1.1135
121	G	H	-0.4797
122	T	H	0.0000
123	S	H	-0.2033
124	V	H	0.0000
125	T	H	-0.0872
126	V	H	0.0000
127	S	H	-0.8082
128	S	H	-0.6647
1	D	L	-1.3125
2	I	L	0.0000
3	V	L	0.8052
4	M	L	0.0000
5	T	L	-0.4710
6	Q	L	0.0000
7	S	L	-0.6259
8	P	L	-0.3220
9	A	L	-0.2181
10	T	L	-0.4125
11	L	L	-0.3232
12	S	L	-0.6395
13	V	L	0.0000
14	T	L	-1.4682
15	P	L	-1.6144
16	G	L	-1.8658
17	D	L	-2.4132
18	R	L	-2.9818
19	V	L	0.0000
20	S	L	-0.8552
21	L	L	0.0000
22	S	L	-0.9219
23	C	L	0.0000
24	R	L	-2.4160
25	A	L	0.0000
26	S	L	-0.9700
27	Q	L	-1.5383
28	S	L	-1.4451
29	I	L	0.0000
36	S	L	-0.9985
37	D	L	-1.4520
38	Y	L	-0.1613
39	L	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	-0.6807
45	K	L	-0.9445
46	S	L	-0.8966
47	H	L	-1.6853
48	E	L	-1.6738
49	S	L	-1.0162
50	P	L	0.0000
51	R	L	-0.5079
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	K	L	-0.5261
56	Y	L	-0.4865
57	A	L	0.0000
65	S	L	-1.1012
66	Q	L	-1.5130
67	S	L	-0.8557
68	I	L	-0.3523
69	S	L	-0.2941
70	G	L	-0.4383
71	I	L	-0.1721
72	P	L	-0.2695
74	S	L	-0.6160
75	R	L	-1.2012
76	F	L	0.0000
77	S	L	-0.8788
78	G	L	-0.6536
79	S	L	-0.9382
80	G	L	-1.2246
83	S	L	-1.3358
84	G	L	-1.3886
85	S	L	-1.9929
86	D	L	-2.4952
87	F	L	0.0000
88	T	L	-0.8343
89	L	L	0.0000
90	S	L	0.0000
91	I	L	0.0000
92	N	L	-2.5601
93	S	L	-2.1323
94	V	L	0.0000
95	E	L	-1.4916
96	P	L	-1.0679
97	E	L	-0.9608
98	D	L	0.0000
99	V	L	0.1301
100	G	L	-0.2801
101	V	L	-0.0140
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	N	L	0.0000
107	G	L	0.0000
108	H	L	-0.4217
109	S	L	-0.0452
114	I	L	0.7749
115	P	L	-0.0325
116	P	L	-0.0431
117	T	L	0.0872
118	F	L	0.3163
119	G	L	0.0000
120	A	L	-0.1842
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.7864
124	L	L	0.0000
125	E	L	-0.6477
126	L	L	-0.7747
127	K	L	-1.7038