Project name: ee78bc433351d91

Chain sequence(s)	H: EVQLVQSGAELKKPGASVKVSCKASGYTFTDYYMKWVRQAPGQGLEWIGDIIPSNGATFYNQKFKGRVTITVDKSTSTAYMELSSLRSEDTAVYYCARSHLLRASWFAYWGQGTLVTVSS; L: DFVMTQSPDSLAVSLGERVTMSCKSSQSLLNSGNQKNYLTWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNDYSYPYTFGQGTKLEIK
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                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:27)

• Minimal score value: -3.1438
• Maximal score value: 2.0038
• Average score: -0.6103
• Total score value: -142.2109

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	-2.0695
2	V	H	-1.0626
3	Q	H	-1.1104
4	L	H	0.0000
5	V	H	0.7892
6	Q	H	0.0000
7	S	H	-0.3990
8	G	H	-0.3986
9	A	H	0.2007
11	E	H	-0.0741
12	L	H	0.7628
13	K	H	-1.0811
14	K	H	-2.2323
15	P	H	-2.3017
16	G	H	-1.6657
17	A	H	-1.2771
18	S	H	-1.4057
19	V	H	0.0000
20	K	H	-2.0356
21	V	H	0.0000
22	S	H	-0.4981
23	C	H	0.0000
24	K	H	-0.7339
25	A	H	0.0000
26	S	H	-0.8607
27	G	H	-1.2148
28	Y	H	-0.7938
29	T	H	-0.5707
30	F	H	0.0000
35	T	H	-1.2515
36	D	H	-1.3569
37	Y	H	0.0518
38	Y	H	0.4287
39	M	H	0.0000
40	K	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.4809
45	A	H	-0.8648
46	P	H	-0.7213
47	G	H	-1.2173
48	Q	H	-1.7854
49	G	H	-1.1909
50	L	H	0.0000
51	E	H	-0.6504
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	I	H	-0.0581
58	P	H	0.0000
59	S	H	-1.2944
62	N	H	-1.4747
63	G	H	-0.9018
64	A	H	-0.1401
65	T	H	0.3900
66	F	H	0.7661
67	Y	H	-0.3796
68	N	H	-1.3376
69	Q	H	-2.5245
70	K	H	-2.9158
71	F	H	0.0000
72	K	H	-2.8902
74	G	H	-1.9471
75	R	H	-1.6826
76	V	H	0.0000
77	T	H	-0.7874
78	I	H	0.0000
79	T	H	-0.3540
80	V	H	-0.6185
81	D	H	-1.2395
82	K	H	-1.9057
83	S	H	-1.0380
84	T	H	-0.9266
85	S	H	-1.1341
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.5195
89	M	H	0.0000
90	E	H	-1.4363
91	L	H	0.0000
92	S	H	-1.2107
93	S	H	-1.3175
94	L	H	0.0000
95	R	H	-3.1438
96	S	H	-2.4048
97	E	H	-2.5818
98	D	H	0.0000
99	T	H	-0.7508
100	A	H	0.0000
101	V	H	0.6058
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	S	H	0.0000
108	H	H	0.8261
109	L	H	1.5871
110	L	H	2.0038
111	R	H	0.8616
112	A	H	0.0000
113	S	H	0.0000
114	W	H	0.0000
115	F	H	0.0000
116	A	H	0.0000
117	Y	H	0.1794
118	W	H	-0.0344
119	G	H	0.0000
120	Q	H	-0.9906
121	G	H	-0.2890
122	T	H	0.0000
123	L	H	0.9528
124	V	H	0.0000
125	T	H	-0.2415
126	V	H	0.0000
127	S	H	-1.0910
128	S	H	-0.8796
1	D	L	-1.2911
2	F	L	-0.0033
3	V	L	0.8514
4	M	L	0.0000
5	T	L	-0.6327
6	Q	L	0.0000
7	S	L	-1.2750
8	P	L	-1.2173
9	D	L	-2.2500
10	S	L	-1.4811
11	L	L	-0.7526
12	A	L	-0.6338
13	V	L	-0.9721
14	S	L	-1.1327
15	L	L	-0.4907
16	G	L	-1.2471
17	E	L	-2.4882
18	R	L	-2.6082
19	V	L	0.0000
20	T	L	-0.5225
21	M	L	0.0000
22	S	L	-1.0306
23	C	L	0.0000
24	K	L	-2.0980
25	S	L	0.0000
26	S	L	-0.7930
27	Q	L	-1.3139
28	S	L	-1.0137
29	L	L	0.0000
30	L	L	-0.9423
31	N	L	-1.5845
32	S	L	-1.6274
33	G	L	-1.7308
34	N	L	-2.4030
35	Q	L	-2.4153
36	K	L	-1.7514
37	N	L	-0.9035
38	Y	L	0.0000
39	L	L	0.0000
40	T	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	-1.1638
46	P	L	-0.8230
47	G	L	-1.2909
48	Q	L	-1.7251
49	P	L	-1.1111
50	P	L	0.0000
51	K	L	-0.9316
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1306
56	W	L	-0.1400
57	A	L	0.0000
65	S	L	-0.5764
66	T	L	-0.4549
67	R	L	-1.2541
68	E	L	-0.9287
69	S	L	-0.7500
70	G	L	-0.9954
71	V	L	0.0000
72	P	L	-1.3742
74	D	L	-2.1938
75	R	L	-1.5332
76	F	L	0.0000
77	S	L	-0.8511
78	G	L	0.0000
79	S	L	-0.6525
80	G	L	-1.1108
83	S	L	-1.1524
84	G	L	-1.0897
85	T	L	-1.5473
86	D	L	-2.1063
87	F	L	0.0000
88	T	L	-0.7622
89	L	L	0.0000
90	T	L	-0.5842
91	I	L	0.0000
92	S	L	-1.6556
93	S	L	-1.6438
94	L	L	0.0000
95	Q	L	-1.0258
96	A	L	-0.9561
97	E	L	-1.5410
98	D	L	0.0000
99	V	L	-0.4430
100	A	L	0.0000
101	V	L	-0.5603
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	D	L	0.0000
108	Y	L	0.3088
109	S	L	0.1316
114	Y	L	0.2770
115	P	L	-0.3570
116	Y	L	0.0000
117	T	L	0.0725
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.2618
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.5038
124	L	L	0.0000
125	E	L	-1.2810
126	I	L	-0.8649
127	K	L	-1.5785