Project name: 4OD2

Chain sequence(s)	H: EVQLVQSGGGVERPGGSLRLSCAASGFTFDDYAMSWVRQAPGKGLEWVSGINWQGGSTGYADSVKGRVTISRDNAKNSLYLQMNSLRAEDTAVYYCAKILGAGRGWYFDYWGKGTTVTVSS; L: SELTQDPAVSVALGQTVRITCSGDSLRSYYASWYQQKPGQAPVLVIYGANNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCNSADSSGNHVVFGGGTKLTVL
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -3.0677
• Maximal score value: 1.7196
• Average score: -0.6281
• Total score value: -143.2095

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	-1.9617
2	V	H	-0.6872
3	Q	H	-0.5257
4	L	H	0.0000
5	V	H	1.1541
6	Q	H	0.0967
7	S	H	-0.4229
8	G	H	-0.7566
9	G	H	-0.3549
11	G	H	0.3482
12	V	H	0.9722
13	E	H	-0.8823
14	R	H	-2.2693
15	P	H	-2.3085
16	G	H	-1.7348
17	G	H	-1.4275
18	S	H	-1.3295
19	L	H	-0.9033
20	R	H	-1.4022
21	L	H	0.0000
22	S	H	-0.2353
23	C	H	0.0000
24	A	H	-0.0975
25	A	H	0.0000
26	S	H	-0.6220
27	G	H	-1.0762
28	F	H	-0.6667
29	T	H	-0.7213
30	F	H	0.0000
35	D	H	-1.5580
36	D	H	-1.3086
37	Y	H	-0.2968
38	A	H	-0.1145
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	-0.7744
45	A	H	-1.1807
46	P	H	-0.9677
47	G	H	-1.5312
48	K	H	-2.2460
49	G	H	-1.5098
50	L	H	0.0000
51	E	H	-0.8747
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	N	H	-0.4838
58	W	H	-0.3566
59	Q	H	-1.4603
62	G	H	-0.9628
63	G	H	-0.8321
64	S	H	-0.6899
65	T	H	-0.4650
66	G	H	-0.6857
67	Y	H	-0.8817
68	A	H	-1.2459
69	D	H	-2.2756
70	S	H	-1.6011
71	V	H	0.0000
72	K	H	-1.8792
74	G	H	-1.4077
75	R	H	-1.4357
76	V	H	0.0000
77	T	H	-0.7037
78	I	H	0.0000
79	S	H	-0.5972
80	R	H	-1.0516
81	D	H	-1.6014
82	N	H	-1.8957
83	A	H	-1.4016
84	K	H	-2.3305
85	N	H	-2.0602
86	S	H	-1.1644
87	L	H	0.0000
88	Y	H	-0.3651
89	L	H	0.0000
90	Q	H	-1.0604
91	M	H	0.0000
92	N	H	-1.5776
93	S	H	-1.4467
94	L	H	0.0000
95	R	H	-2.5411
96	A	H	-1.9045
97	E	H	-2.2570
98	D	H	0.0000
99	T	H	-0.6622
100	A	H	0.0000
101	V	H	0.0997
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	I	H	0.0000
108	L	H	0.4435
109	G	H	-0.4720
110	A	H	-0.5066
111	G	H	-1.2924
112A	R	H	-2.0974
112	G	H	-0.7811
113	W	H	-0.4163
114	Y	H	0.1902
115	F	H	0.0000
116	D	H	0.5927
117	Y	H	0.8924
118	W	H	0.3996
119	G	H	0.0000
120	K	H	-1.4836
121	G	H	-0.7454
122	T	H	-0.3277
123	T	H	0.1108
124	V	H	0.0000
125	T	H	-0.2122
126	V	H	0.0000
127	S	H	-1.0140
128	S	H	-0.8443
2	S	L	-1.5989
3	E	L	-2.3298
4	L	L	0.0000
5	T	L	-1.0980
6	Q	L	-0.8340
7	D	L	-0.8391
8	P	L	-0.8306
9	A	L	-0.4925
11	V	L	-0.2488
12	S	L	0.2640
13	V	L	0.0000
14	A	L	0.7669
15	L	L	1.0101
16	G	L	-0.3975
17	Q	L	-0.9892
18	T	L	-0.9345
19	V	L	0.0000
20	R	L	-1.1013
21	I	L	0.0000
22	T	L	-0.4643
23	C	L	0.0000
24	S	L	-1.3038
25	G	L	-2.0936
26	D	L	-3.0677
27	S	L	0.0000
28	L	L	0.0000
29	R	L	-2.6736
36	S	L	-1.2211
37	Y	L	-0.3316
38	Y	L	0.6203
39	A	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.3208
46	P	L	-1.1894
47	G	L	-1.2392
48	Q	L	-1.7085
49	A	L	-0.8610
50	P	L	0.0000
51	V	L	0.7656
52	L	L	0.0000
53	V	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3740
56	G	L	-0.2219
57	A	L	0.0000
65	N	L	-1.7278
66	N	L	-1.7050
67	R	L	-1.8248
68	P	L	-0.6684
69	S	L	-0.8408
70	G	L	-0.8068
71	I	L	-0.7003
72	P	L	-1.1851
74	D	L	-2.1063
75	R	L	-1.2058
76	F	L	0.0000
77	S	L	-1.3504
78	G	L	-1.1208
79	S	L	-0.7301
80	S	L	-0.6718
83	S	L	-0.8531
84	G	L	-1.7599
85	N	L	-2.1064
86	T	L	-1.0829
87	A	L	0.0000
88	S	L	-0.6235
89	L	L	0.0000
90	T	L	-0.7554
91	I	L	0.0000
92	T	L	-1.0981
93	G	L	-0.7784
94	A	L	0.0000
95	Q	L	-1.0048
96	A	L	-0.6048
97	E	L	-1.7933
98	D	L	0.0000
99	E	L	-1.3345
100	A	L	0.0000
101	D	L	-1.1383
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	N	L	0.0000
106	S	L	0.0000
107	A	L	0.0000
108	D	L	-1.2253
109	S	L	-1.4193
110	S	L	-0.7507
113	G	L	0.0000
114	N	L	-1.4855
115	H	L	-0.9394
116	V	L	0.0000
117	V	L	-0.5963
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.3800
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.1690
124	L	L	0.0000
125	T	L	0.2486
126	V	L	0.6279
127	L	L	1.7196