Project name: 18.30A1

Chain sequence(s)	H: EVQLQQSGPELVKPGASVKISCKASGYTFTAYYINWVKQSHGKSLEWIGDINPNNGIINYNHKFKGKASLTVDKSSSTAYMELRSLTSEDSAVYYCAKTGEWTVGYFDVWGTGTMVTVSS; L: QIVLTQSPAIMSASPGEKVTISCSASSSVSYMYWYQQKPGSSPKPWIYRTSNLASGVPTRFSGSGSGTSYSLTISSMEAEDAATYYCQQYHSYPRTFGGGTKLEIK
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -2.8303
• Maximal score value: 1.4649
• Average score: -0.4861
• Total score value: -109.8563

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	-2.0008
2	V	H	-1.0299
3	Q	H	-1.9602
4	L	H	0.0000
5	Q	H	-2.0137
6	Q	H	0.0000
7	S	H	-0.9341
8	G	H	-0.6804
9	P	H	-0.1905
11	E	H	-0.2236
12	L	H	0.9306
13	V	H	-0.2216
14	K	H	-1.6985
15	P	H	-1.4081
16	G	H	-1.2440
17	A	H	-1.0256
18	S	H	-1.1760
19	V	H	0.0000
20	K	H	-1.3933
21	I	H	0.0000
22	S	H	-0.7520
23	C	H	0.0000
24	K	H	-1.8074
25	A	H	0.0000
26	S	H	-1.3477
27	G	H	-1.1435
28	Y	H	-0.3992
29	T	H	0.0132
30	F	H	0.0000
35	T	H	-0.9210
36	A	H	0.0312
37	Y	H	0.3469
38	Y	H	0.6331
39	I	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.8799
45	S	H	-1.4216
46	H	H	-1.8425
47	G	H	-1.7981
48	K	H	-2.4460
49	S	H	-1.4280
50	L	H	0.0000
51	E	H	-0.9584
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	D	H	0.0000
56	I	H	0.0000
57	N	H	0.0292
58	P	H	0.0000
59	N	H	-1.9416
62	N	H	-1.5298
63	G	H	-0.2748
64	I	H	1.4649
65	I	H	1.2713
66	N	H	0.2299
67	Y	H	-0.7623
68	N	H	-1.5321
69	H	H	-2.4814
70	K	H	-2.8179
71	F	H	0.0000
72	K	H	-2.8303
74	G	H	-1.9188
75	K	H	-1.7775
76	A	H	0.0000
77	S	H	-0.6822
78	L	H	0.0000
79	T	H	0.0068
80	V	H	-0.8512
81	D	H	-1.5303
82	K	H	-2.4023
83	S	H	-1.1963
84	S	H	-1.0310
85	S	H	-1.2146
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2602
89	M	H	0.0000
90	E	H	-0.9972
91	L	H	0.0000
92	R	H	-1.3257
93	S	H	-1.1258
94	L	H	0.0000
95	T	H	-1.1600
96	S	H	-1.2830
97	E	H	-1.7280
98	D	H	0.0000
99	S	H	-0.5346
100	A	H	0.0000
101	V	H	0.2470
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	T	H	0.1846
108	G	H	-0.0848
109	E	H	-0.1144
110	W	H	0.9243
111	T	H	0.3086
112	V	H	0.0000
113	G	H	0.0000
114	Y	H	0.1100
115	F	H	0.0000
116	D	H	-0.5219
117	V	H	-0.2545
118	W	H	0.0000
119	G	H	0.0000
120	T	H	-0.5149
121	G	H	-0.2413
122	T	H	0.0000
123	M	H	0.2788
124	V	H	0.0000
125	T	H	-0.0169
126	V	H	0.0000
127	S	H	-0.6221
128	S	H	-0.7555
1	Q	L	-0.7033
2	I	L	0.0000
3	V	L	1.2377
4	L	L	0.0000
5	T	L	0.0675
6	Q	L	0.0000
7	S	L	-0.1333
8	P	L	0.2299
9	A	L	0.5492
10	I	L	1.3685
11	M	L	0.3453
12	S	L	-0.7377
13	A	L	0.0000
14	S	L	-1.6438
15	P	L	-1.7615
16	G	L	-1.8148
17	E	L	-2.4124
18	K	L	-2.4975
19	V	L	0.0000
20	T	L	-0.6407
21	I	L	0.0000
22	S	L	-0.3547
23	C	L	0.0000
24	S	L	-0.2004
25	A	L	0.0000
26	S	L	0.0354
27	S	L	-0.2587
28	S	L	-0.5793
29	V	L	0.0000
37	S	L	-0.3516
38	Y	L	0.0609
39	M	L	0.0000
40	Y	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9428
45	K	L	-1.3592
46	P	L	-0.8176
47	G	L	-0.8036
48	S	L	-0.7599
49	S	L	0.0000
50	P	L	0.0000
51	K	L	-1.1543
52	P	L	-0.5074
53	W	L	-0.3143
54	I	L	0.0000
55	Y	L	-0.1920
56	R	L	-0.4622
57	T	L	0.0000
65	S	L	-0.6924
66	N	L	-0.9888
67	L	L	-0.2537
68	A	L	-0.4290
69	S	L	-0.4876
70	G	L	-0.5081
71	V	L	0.0000
72	P	L	-0.2437
74	T	L	-0.2545
75	R	L	-0.7443
76	F	L	0.0000
77	S	L	-0.4491
78	G	L	-0.4974
79	S	L	-0.6229
80	G	L	-0.6257
83	S	L	-0.5440
84	G	L	-0.5403
85	T	L	-0.5278
86	S	L	-0.6383
87	Y	L	0.0000
88	S	L	-0.3932
89	L	L	0.0000
90	T	L	-0.5958
91	I	L	0.0000
92	S	L	-1.4022
93	S	L	-1.7312
94	M	L	0.0000
95	E	L	-1.8740
96	A	L	-1.6004
97	E	L	-2.2177
98	D	L	0.0000
99	A	L	-1.4783
100	A	L	0.0000
101	T	L	-0.6660
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	Y	L	0.1504
108	H	L	-0.4081
109	S	L	-0.0915
114	Y	L	0.5089
115	P	L	-0.3182
116	R	L	0.0597
117	T	L	0.0000
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.7907
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.7379
124	L	L	0.0000
125	E	L	-1.3669
126	I	L	-1.0303
127	K	L	-1.6663