Project name: P2B11

Chain sequence(s)	H: EVQLQQPGAELLKPGASLKLSCKASGYIFTNYWMHWVKQRPGRGLEWIGRIDPDTGDTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARRAYYSKDALDYWGQGTSVTVSA; L: DIVLTQSPASLAVSLGQRATISCRASESIDNYGISFMHWYQQKPGQPPKLLIYRASNLDSGIPARFSGSGSRTDFTLTINPVETDDVATYYCQQNNKDPWTFGGGTKLEIK
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                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -3.7135
• Maximal score value: 1.5835
• Average score: -0.6452
• Total score value: -149.0323

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	-2.1583
2	V	H	-1.1727
3	Q	H	-2.0691
4	L	H	0.0000
5	Q	H	-2.0428
6	Q	H	0.0000
7	P	H	-0.8699
8	G	H	-0.8646
9	A	H	-0.0640
11	E	H	0.1840
12	L	H	1.1138
13	L	H	-0.0074
14	K	H	-1.4856
15	P	H	-1.2567
16	G	H	-1.0807
17	A	H	-0.8679
18	S	H	-0.9652
19	L	H	0.0000
20	K	H	-1.2932
21	L	H	0.0000
22	S	H	-0.6022
23	C	H	0.0000
24	K	H	-1.5332
25	A	H	0.0000
26	S	H	-0.9835
27	G	H	-0.8151
28	Y	H	0.3015
29	I	H	1.5835
30	F	H	0.0000
35	T	H	-0.6881
36	N	H	-0.5258
37	Y	H	0.2421
38	W	H	-0.2825
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.9845
45	R	H	-1.6328
46	P	H	-1.2427
47	G	H	-1.6532
48	R	H	-2.5246
49	G	H	-1.4972
50	L	H	0.0000
51	E	H	-1.0412
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.7356
56	I	H	0.0000
57	D	H	0.0000
58	P	H	0.0000
59	D	H	-2.2144
62	T	H	-1.1807
63	G	H	-1.2260
64	D	H	-1.4106
65	T	H	-1.0945
66	K	H	-1.7372
67	Y	H	-1.9141
68	N	H	-2.6397
69	E	H	-3.7135
70	K	H	-3.1994
71	F	H	0.0000
72	K	H	-3.0975
74	S	H	-1.7690
75	K	H	-1.4906
76	A	H	0.0000
77	T	H	-0.7050
78	L	H	0.0000
79	T	H	-0.3404
80	V	H	-0.4938
81	D	H	-1.1508
82	K	H	-1.4662
83	P	H	-0.8868
84	S	H	-0.7842
85	S	H	-0.5712
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2105
89	M	H	0.0000
90	Q	H	-1.0301
91	L	H	0.0000
92	S	H	-0.7592
93	S	H	-0.8294
94	L	H	0.0000
95	T	H	-1.2240
96	S	H	-1.3768
97	E	H	-1.9980
98	D	H	0.0000
99	S	H	-0.6080
100	A	H	0.0000
101	V	H	-0.0132
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	0.1172
108	A	H	0.0000
109	Y	H	1.0073
110	Y	H	1.3137
111	S	H	0.4069
112	K	H	0.0336
113	D	H	0.0782
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.3527
117	Y	H	0.0250
118	W	H	-0.5962
119	G	H	0.0000
120	Q	H	-1.6257
121	G	H	0.0000
122	T	H	0.0000
123	S	H	-0.1486
124	V	H	0.0000
125	T	H	0.0283
126	V	H	-0.4746
127	S	H	-0.3099
128	A	H	-0.3413
1	D	L	-2.0939
2	I	L	0.0000
3	V	L	0.6843
4	L	L	0.0000
5	T	L	-0.6035
6	Q	L	-0.6768
7	S	L	-0.6450
8	P	L	-0.3917
9	A	L	-0.4140
10	S	L	-0.6298
11	L	L	-0.3966
12	A	L	-0.5109
13	V	L	0.0000
14	S	L	-1.1393
15	L	L	-0.4429
16	G	L	-1.3667
17	Q	L	-2.5114
18	R	L	-2.8289
19	A	L	0.0000
20	T	L	-0.6436
21	I	L	0.0000
22	S	L	-0.8925
23	C	L	0.0000
24	R	L	-2.5438
25	A	L	0.0000
26	S	L	-1.0036
27	E	L	-1.9125
28	S	L	-1.9820
29	I	L	0.0000
30	D	L	-1.0974
31	N	L	-0.5814
34	Y	L	0.9233
35	G	L	-0.0142
36	I	L	0.2875
37	S	L	0.0000
38	F	L	-0.3459
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8977
44	Q	L	-1.2100
45	K	L	-1.4818
46	P	L	-1.0506
47	G	L	-1.4097
48	Q	L	-2.0827
49	P	L	-1.3545
50	P	L	0.0000
51	K	L	-1.6489
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3200
56	R	L	-0.4020
57	A	L	0.0000
65	S	L	-0.6002
66	N	L	-0.6727
67	L	L	-0.1033
68	D	L	-0.5410
69	S	L	-0.5098
70	G	L	-0.5813
71	I	L	0.0000
72	P	L	-0.2942
74	A	L	-0.2700
75	R	L	-0.8579
76	F	L	0.0000
77	S	L	-0.4378
78	G	L	-0.4593
79	S	L	-0.8171
80	G	L	-1.4807
83	S	L	-1.7281
84	R	L	-2.8079
85	T	L	-2.4704
86	D	L	-2.4655
87	F	L	0.0000
88	T	L	-0.7977
89	L	L	0.0000
90	T	L	-0.7931
91	I	L	0.0000
92	N	L	-2.0271
93	P	L	-1.7840
94	V	L	0.0000
95	E	L	-1.6511
96	T	L	-1.2166
97	D	L	-1.8844
98	D	L	0.0000
99	V	L	-0.5568
100	A	L	0.0000
101	T	L	-0.7166
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	N	L	0.0000
108	N	L	-1.0591
109	K	L	-1.9853
114	D	L	-2.1884
115	P	L	-2.0825
116	W	L	0.0000
117	T	L	-0.3049
118	F	L	0.2160
119	G	L	0.0000
120	G	L	-0.7226
121	G	L	-0.8767
122	T	L	0.0000
123	K	L	-1.1004
124	L	L	0.0000
125	E	L	-1.1624
126	I	L	-0.6229
127	K	L	-1.4984