Project name: 2E10

Chain sequence(s)	H: QVQLVQSGAEGRKPGSSVKVSCKVSGDTFSSYAISWVRQAPGQGLEWMGGIIPIFGAADYAQKFKGRVTISADESTSTAYMELSSLRSEDTAVYYCAKGPDYYGSFDPWGQGTLITVSS; L: DIQMTQSPSSLSASVGDRVTITCRTSQTITNYLNWYQQKPGRAPKLLIFDASNLETGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCQQSYNPGYTFGQGTKLEIK
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)

• Minimal score value: -3.1807
• Maximal score value: 2.8523
• Average score: -0.5846
• Total score value: -132.1138

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	Q	H	-1.8725
2	V	H	0.0000
3	Q	H	-1.6419
4	L	H	0.0000
5	V	H	0.7431
6	Q	H	0.0000
7	S	H	-0.3875
8	G	H	-0.4136
9	A	H	-0.2198
11	E	H	-1.1731
12	G	H	-1.3636
13	R	H	-2.2418
14	K	H	-2.7670
15	P	H	-2.1619
16	G	H	-1.6939
17	S	H	-1.3499
18	S	H	-1.5149
19	V	H	0.0000
20	K	H	-2.1935
21	V	H	0.0000
22	S	H	-0.5397
23	C	H	0.0000
24	K	H	-0.6244
25	V	H	0.0000
26	S	H	-1.2046
27	G	H	-1.7044
28	D	H	-1.8897
29	T	H	-0.7797
30	F	H	0.0000
35	S	H	0.5186
36	S	H	0.2866
37	Y	H	0.0471
38	A	H	0.3644
39	I	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	-0.5400
45	A	H	-0.9124
46	P	H	-0.7331
47	G	H	-1.2149
48	Q	H	-1.8394
49	G	H	-1.3341
50	L	H	0.0000
51	E	H	-0.7867
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	I	H	1.3276
58	P	H	0.0000
59	I	H	2.6065
62	F	H	2.8523
63	G	H	0.9804
64	A	H	0.8328
65	A	H	-0.0225
66	D	H	-1.0616
67	Y	H	-1.4879
68	A	H	-2.0202
69	Q	H	-2.9850
70	K	H	-2.8313
71	F	H	0.0000
72	K	H	-3.0148
74	G	H	-1.9017
75	R	H	-1.7915
76	V	H	0.0000
77	T	H	-1.1115
78	I	H	0.0000
79	S	H	-0.4464
80	A	H	-0.5459
81	D	H	-1.3594
82	E	H	-1.9006
83	S	H	-1.2668
84	T	H	-1.0666
85	S	H	-1.4791
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.6462
89	M	H	0.0000
90	E	H	-1.7562
91	L	H	0.0000
92	S	H	-1.2698
93	S	H	-1.2677
94	L	H	0.0000
95	R	H	-3.1807
96	S	H	-2.4082
97	E	H	-2.5565
98	D	H	0.0000
99	T	H	-0.9776
100	A	H	0.0000
101	V	H	0.5015
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	G	H	0.0000
108	P	H	-0.4647
109	D	H	-0.9389
110	Y	H	0.9256
112	Y	H	0.9927
113	G	H	0.0000
114	S	H	0.0000
115	F	H	0.0000
116	D	H	-0.5771
117	P	H	-0.8651
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.3987
121	G	H	-0.5320
122	T	H	0.0000
123	L	H	0.6569
124	I	H	0.0000
125	T	H	-1.0418
126	V	H	0.0000
127	S	H	-1.5827
128	S	H	-1.1329
1	D	L	-2.4528
2	I	L	0.0000
3	Q	L	-2.2409
4	M	L	0.0000
5	T	L	-1.4242
6	Q	L	0.0000
7	S	L	-0.7754
8	P	L	-0.5782
9	S	L	-0.9127
10	S	L	-1.1626
11	L	L	-0.7494
12	S	L	-0.8731
13	A	L	0.0000
14	S	L	-0.1607
15	V	L	0.7469
16	G	L	-0.5127
17	D	L	-1.4254
18	R	L	-2.0870
19	V	L	0.0000
20	T	L	-0.5849
21	I	L	0.0000
22	T	L	-0.8130
23	C	L	0.0000
24	R	L	-2.6433
25	T	L	0.0000
26	S	L	-1.8080
27	Q	L	-1.7037
28	T	L	-0.8198
29	I	L	0.0000
36	T	L	-0.4247
37	N	L	-0.4861
38	Y	L	0.5519
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.7932
44	Q	L	0.0000
45	K	L	-1.7045
46	P	L	-1.2498
47	G	L	-1.7143
48	R	L	-2.6962
49	A	L	-1.6702
50	P	L	0.0000
51	K	L	-1.1554
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	F	L	0.2508
56	D	L	-0.1774
57	A	L	0.0000
65	S	L	-0.5739
66	N	L	-0.5556
67	L	L	-0.0370
68	E	L	-0.3672
69	T	L	-0.3528
70	G	L	-0.4615
71	V	L	-0.2578
72	P	L	-0.3204
74	S	L	-0.3952
75	R	L	-0.7441
76	F	L	0.0000
77	S	L	-0.3918
78	G	L	-0.3858
79	S	L	-0.8081
80	G	L	-1.1349
83	S	L	-1.0842
84	G	L	-1.0194
85	T	L	-1.5332
86	D	L	-1.9347
87	F	L	0.0000
88	T	L	-0.7189
89	L	L	0.0000
90	T	L	-0.5871
91	I	L	0.0000
92	S	L	-1.2266
93	S	L	-0.9805
94	L	L	0.0000
95	Q	L	-0.4957
96	P	L	-0.7008
97	E	L	-1.7589
98	D	L	0.0000
99	F	L	-0.6711
100	A	L	0.0000
101	T	L	-1.1328
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	S	L	0.0000
108	Y	L	1.1076
109	N	L	-0.1754
114	P	L	-0.5808
115	G	L	-0.9509
116	Y	L	-0.3496
117	T	L	-0.7567
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.6214
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.9882
124	L	L	0.0000
125	E	L	-1.3097
126	I	L	0.6664
127	K	L	-0.9236