Project name: 45451a6bcae1093

Chain sequence(s)	H: EVQLVESGGGVVQPGGSLRLSCAASGFTFNSYGMHWVRQAPGKGLEWVAFIRYDGGNKYYADSVKGRFTISRDNSKNTLYLQMKSLRAEDTAVYYCANLKDSRYSGSYYDYWGQGTLVTVS; L: VIWMTQSPSSLSASVGDRVTITCQASQDIRFYLNWYQQKPGKAPKLLISDASNMETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYDNLPFTFGPGTKVDFK
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           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:57)

• Minimal score value: -2.6461
• Maximal score value: 1.6647
• Average score: -0.5509
• Total score value: -125.6003

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	-2.1322
2	V	H	-1.3012
3	Q	H	-1.3381
4	L	H	0.0000
5	V	H	0.6084
6	E	H	0.0000
7	S	H	-0.2362
8	G	H	-0.6363
9	G	H	0.2138
11	G	H	0.9564
12	V	H	1.6639
13	V	H	0.1490
14	Q	H	-1.2706
15	P	H	-1.7687
16	G	H	-1.6921
17	G	H	-1.2885
18	S	H	-1.6126
19	L	H	-0.8569
20	R	H	-1.7717
21	L	H	0.0000
22	S	H	-0.2914
23	C	H	0.0000
24	A	H	-0.2547
25	A	H	0.0000
26	S	H	-0.9116
27	G	H	-1.2380
28	F	H	-0.5642
29	T	H	-0.3850
30	F	H	0.0000
35	N	H	-1.3220
36	S	H	-0.2938
37	Y	H	0.3141
38	G	H	0.0000
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6515
45	A	H	-1.0462
46	P	H	-0.8293
47	G	H	-1.4760
48	K	H	-2.2131
49	G	H	-1.3470
50	L	H	0.0000
51	E	H	-0.8820
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	F	H	0.0000
56	I	H	0.0000
57	R	H	-0.6762
58	Y	H	-0.1642
59	D	H	-1.3765
62	G	H	-1.3772
63	G	H	-1.4777
64	N	H	-1.7338
65	K	H	-1.1633
66	Y	H	-0.3195
67	Y	H	-0.7827
68	A	H	0.0000
69	D	H	-2.2256
70	S	H	-1.7524
71	V	H	0.0000
72	K	H	-2.5296
74	G	H	-1.8991
75	R	H	-1.9912
76	F	H	0.0000
77	T	H	-1.0124
78	I	H	0.0000
79	S	H	-0.6529
80	R	H	-1.0876
81	D	H	-1.7424
82	N	H	-1.9463
83	S	H	-1.7047
84	K	H	-2.4421
85	N	H	-1.8403
86	T	H	-1.0423
87	L	H	0.0000
88	Y	H	-0.3489
89	L	H	0.0000
90	Q	H	-1.3626
91	M	H	0.0000
92	K	H	-2.5246
93	S	H	-1.8455
94	L	H	0.0000
95	R	H	-2.5031
96	A	H	-1.7170
97	E	H	-2.2314
98	D	H	0.0000
99	T	H	-0.3456
100	A	H	0.0000
101	V	H	0.6426
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	N	H	0.0000
107	L	H	0.0000
108	K	H	-0.3262
109	D	H	0.0000
110	S	H	-0.1537
111	R	H	-0.3386
111A	Y	H	0.8212
112A	S	H	0.0000
112	G	H	0.1177
113	S	H	0.1998
114	Y	H	-0.0989
115	Y	H	0.0000
116	D	H	-0.4500
117	Y	H	0.1464
118	W	H	-0.2001
119	G	H	0.0000
120	Q	H	-1.3470
121	G	H	-0.3116
122	T	H	0.5053
123	L	H	1.6647
124	V	H	0.0000
125	T	H	0.3489
126	V	H	0.0000
127	S	H	-0.5867
1	V	L	1.6254
2	I	L	0.7559
3	W	L	1.2859
4	M	L	0.0000
5	T	L	-0.4249
6	Q	L	0.0000
7	S	L	-0.5176
8	P	L	-0.5560
9	S	L	-0.7798
10	S	L	-0.9954
11	L	L	-0.6528
12	S	L	-0.8134
13	A	L	0.0000
14	S	L	-0.2270
15	V	L	0.7085
16	G	L	-0.3994
17	D	L	-1.2678
18	R	L	-2.1305
19	V	L	0.0000
20	T	L	-0.6554
21	I	L	0.0000
22	T	L	-0.6813
23	C	L	0.0000
24	Q	L	-1.8165
25	A	L	0.0000
26	S	L	-0.7180
27	Q	L	-2.0176
28	D	L	-2.6461
29	I	L	0.0000
36	R	L	-1.6058
37	F	L	0.3421
38	Y	L	-0.0538
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.7313
44	Q	L	0.0000
45	K	L	-1.6228
46	P	L	-1.2018
47	G	L	-1.6657
48	K	L	-2.4967
49	A	L	-1.4182
50	P	L	0.0000
51	K	L	-1.1111
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	S	L	0.0000
56	D	L	-0.3505
57	A	L	0.0000
65	S	L	-0.7347
66	N	L	-1.4240
67	M	L	-0.6170
68	E	L	-0.7312
69	T	L	-0.5286
70	G	L	-0.4835
71	V	L	-0.3081
72	P	L	-0.3602
74	S	L	-0.4339
75	R	L	-0.8020
76	F	L	0.0000
77	S	L	-0.5687
78	G	L	-0.6015
79	S	L	-0.6355
80	G	L	-0.8532
83	S	L	-1.0810
84	G	L	-1.7926
85	T	L	-2.0813
86	D	L	-2.3005
87	F	L	0.0000
88	T	L	-0.6774
89	F	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.3568
93	S	L	-1.0683
94	L	L	0.0000
95	Q	L	-0.5202
96	P	L	-0.7091
97	E	L	-1.7141
98	D	L	0.0000
99	I	L	-0.5506
100	A	L	0.0000
101	T	L	-0.9004
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	0.0000
108	D	L	-1.2179
109	N	L	-1.0215
114	L	L	0.0814
115	P	L	0.0143
116	F	L	0.0000
117	T	L	0.2932
118	F	L	0.0000
119	G	L	0.0000
120	P	L	-0.7523
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.6913
124	V	L	0.0000
125	D	L	-0.8139
126	F	L	0.1966
127	K	L	-1.1249