Project name: ae50ef52086931f

Chain sequence(s)	H: EVQLQQSGPELVQPGASMKISCKASGYSFTDYTMNWVKQSHGKNLEWIGLINPYNGGSRYNQKFMAKATLTVDKSSNTAYMELLSVTSEDSAVYYCARDAGYFGSGFYFDYWGQGTTLTVSS; L: DIVMTQSHKFMSTSVGDRVSITCKASQDVSTAVAWYQQKPGQSPKLLIYSASYRSTGVPDRFTGSGSGTDFTFTISSVQAEDLAVYYCQQHYSTPTFGAGTKLELK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[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                                          (00:02:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:39)

• Minimal score value: -2.6928
• Maximal score value: 2.3313
• Average score: -0.5049
• Total score value: -115.1244

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	-2.0872
2	V	H	-1.3446
3	Q	H	-2.1542
4	L	H	0.0000
5	Q	H	-2.2431
6	Q	H	0.0000
7	S	H	-1.1347
8	G	H	-0.9117
9	P	H	-0.4566
11	E	H	-0.2805
12	L	H	0.8892
13	V	H	-0.0338
14	Q	H	-1.1863
15	P	H	-1.1677
16	G	H	-0.9140
17	A	H	-0.6113
18	S	H	-0.6213
19	M	H	0.0000
20	K	H	-1.2981
21	I	H	0.0000
22	S	H	-0.7599
23	C	H	0.0000
24	K	H	-1.9503
25	A	H	0.0000
26	S	H	-1.5777
27	G	H	-1.2887
28	Y	H	-0.8613
29	S	H	-0.7425
30	F	H	0.0000
35	T	H	-0.9635
36	D	H	-1.2218
37	Y	H	-0.0375
38	T	H	-0.0422
39	M	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	-1.1466
45	S	H	-1.7415
46	H	H	-2.0239
47	G	H	-1.8936
48	K	H	-2.6928
49	N	H	-1.9665
50	L	H	0.0000
51	E	H	-1.1652
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	L	H	0.0000
56	I	H	0.0000
57	N	H	-0.8424
58	P	H	0.0000
59	Y	H	-0.0370
62	N	H	-0.9577
63	G	H	-0.8843
64	G	H	-1.2362
65	S	H	-1.3911
66	R	H	-1.9546
67	Y	H	-1.1074
68	N	H	-1.5812
69	Q	H	-2.1188
70	K	H	-2.0777
71	F	H	0.0000
72	M	H	-0.0962
74	A	H	0.0644
75	K	H	-0.2132
76	A	H	0.0000
77	T	H	-0.2076
78	L	H	0.0000
79	T	H	-0.1893
80	V	H	-0.3393
81	D	H	-1.2825
82	K	H	-1.5680
83	S	H	-1.1467
84	S	H	-1.1465
85	N	H	-1.5651
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2585
89	M	H	0.0000
90	E	H	-0.7381
91	L	H	0.0000
92	L	H	0.0112
93	S	H	-0.3892
94	V	H	0.0000
95	T	H	-1.1013
96	S	H	-1.4062
97	E	H	-2.0725
98	D	H	0.0000
99	S	H	-0.7622
100	A	H	0.0000
101	V	H	-0.1509
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	D	H	0.0000
108	A	H	0.6795
109	G	H	1.1145
110	Y	H	1.9090
111	F	H	2.3313
111A	G	H	0.5951
112A	S	H	0.7258
112	G	H	0.9332
113	F	H	1.1900
114	Y	H	0.6139
115	F	H	0.0000
116	D	H	-0.0312
117	Y	H	-0.0718
118	W	H	-0.4127
119	G	H	0.0000
120	Q	H	-1.7595
121	G	H	-0.9826
122	T	H	0.0000
123	T	H	-0.2854
124	L	H	0.0000
125	T	H	-0.1225
126	V	H	0.0000
127	S	H	-0.4561
128	S	H	-0.6194
1	D	L	-1.5467
2	I	L	-0.2251
3	V	L	0.9794
4	M	L	0.0000
5	T	L	-0.4469
6	Q	L	0.0000
7	S	L	-0.9289
8	H	L	-1.1698
9	K	L	-0.9987
10	F	L	0.4350
11	M	L	-0.1521
12	S	L	-0.4155
13	T	L	0.0000
14	S	L	-0.2438
15	V	L	0.7235
16	G	L	-0.4744
17	D	L	-1.2263
18	R	L	-2.0622
19	V	L	0.0000
20	S	L	-0.6031
21	I	L	0.0000
22	T	L	-0.9081
23	C	L	0.0000
24	K	L	-1.8901
25	A	L	0.0000
26	S	L	-1.1290
27	Q	L	-2.2128
28	D	L	-2.6553
29	V	L	0.0000
36	S	L	-0.9161
37	T	L	-0.4773
38	A	L	0.1987
39	V	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9872
45	K	L	-1.4167
46	P	L	-0.9830
47	G	L	-1.4215
48	Q	L	-2.0359
49	S	L	-1.2786
50	P	L	0.0000
51	K	L	-1.0400
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.4988
56	S	L	0.3324
57	A	L	0.0000
65	S	L	0.1345
66	Y	L	0.7995
67	R	L	-0.6973
68	S	L	-0.4143
69	T	L	-0.4003
70	G	L	-0.8094
71	V	L	-0.9314
72	P	L	-1.2744
74	D	L	-2.1672
75	R	L	-1.4729
76	F	L	0.0000
77	T	L	-0.5542
78	G	L	0.0000
79	S	L	-0.4767
80	G	L	-1.0707
83	S	L	-1.3039
84	G	L	-1.8179
85	T	L	-2.2686
86	D	L	-2.5899
87	F	L	0.0000
88	T	L	-0.7338
89	F	L	0.0000
90	T	L	-0.5648
91	I	L	0.0000
92	S	L	-1.4992
93	S	L	-1.2079
94	V	L	0.0000
95	Q	L	-0.6278
96	A	L	-0.5330
97	E	L	-1.6258
98	D	L	0.0000
99	L	L	-0.4757
100	A	L	0.0000
101	V	L	-0.3150
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	H	L	0.0000
108	Y	L	0.9815
114	S	L	0.3702
115	T	L	-0.3260
116	P	L	0.0000
117	T	L	0.0373
118	F	L	0.0000
119	G	L	0.0000
120	A	L	-0.8833
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.9039
124	L	L	0.0000
125	E	L	-0.6935
126	L	L	0.0885
127	K	L	-1.1934