Project name: 2EH7

Chain sequence(s)	H: QVQLVQSGAEVVKPGASVKVSCKASGYAFSSSWMNWVRQAPGQGLEWIGRIYPGDGDTNYAQKFQGKATLTADKSTSTAYMELSSLRSEDTAVYFCAREYDEAYWGQGTLVTVSS; L: DIQMTQTPLSLSVTPGQPASISCKSSQSLLYSNGKTYLNWLLQKPGQSPKRLIYLVSKLDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCVQGTHFPQTFGGGTKVEIK
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -2.9795
• Maximal score value: 1.4719
• Average score: -0.6323
• Total score value: -143.5425

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	-1.4638
2	V	H	0.0000
3	Q	H	-0.9186
4	L	H	0.0000
5	V	H	0.5327
6	Q	H	0.0000
7	S	H	-0.4020
8	G	H	-0.3522
9	A	H	0.4541
11	E	H	0.5273
12	V	H	1.4719
13	V	H	-0.1557
14	K	H	-1.7672
15	P	H	-2.0513
16	G	H	-1.4503
17	A	H	-1.0493
18	S	H	-1.2061
19	V	H	0.0000
20	K	H	-1.8504
21	V	H	0.0000
22	S	H	-0.4389
23	C	H	0.0000
24	K	H	-0.7134
25	A	H	0.0000
26	S	H	-0.7541
27	G	H	-0.9718
28	Y	H	-0.3402
29	A	H	-0.2081
30	F	H	0.0000
35	S	H	-0.9604
36	S	H	-0.3100
37	S	H	0.0000
38	W	H	-0.0213
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4108
44	Q	H	-0.6178
45	A	H	0.0000
46	P	H	-0.7645
47	G	H	-1.2141
48	Q	H	-1.7591
49	G	H	-1.1229
50	L	H	0.0000
51	E	H	-0.8583
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.6215
56	I	H	0.0000
57	Y	H	-0.7340
58	P	H	0.0000
59	G	H	-1.5299
62	D	H	-2.4142
63	G	H	-1.8476
64	D	H	-1.5835
65	T	H	-0.8781
66	N	H	-0.6192
67	Y	H	-0.9278
68	A	H	0.0000
69	Q	H	-2.7041
70	K	H	-2.7278
71	F	H	0.0000
72	Q	H	-2.4057
74	G	H	-1.6381
75	K	H	-1.5072
76	A	H	0.0000
77	T	H	-0.8124
78	L	H	0.0000
79	T	H	-0.4574
80	A	H	-1.0138
81	D	H	-1.5367
82	K	H	-2.2434
83	S	H	-1.1890
84	T	H	-0.9814
85	S	H	-1.1541
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3898
89	M	H	0.0000
90	E	H	-1.1266
91	L	H	0.0000
92	S	H	-1.0519
93	S	H	-1.1809
94	L	H	0.0000
95	R	H	-2.8257
96	S	H	-2.2471
97	E	H	-2.5337
98	D	H	-1.6437
99	T	H	-0.7006
100	A	H	0.0000
101	V	H	0.4144
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	E	H	-0.8395
108	Y	H	-0.9535
114	D	H	-2.1844
115	E	H	-1.9800
116	A	H	-1.2590
117	Y	H	-0.9065
118	W	H	-0.3476
119	G	H	0.0000
120	Q	H	-0.9615
121	G	H	-0.2678
122	T	H	0.0000
123	L	H	0.8775
124	V	H	0.0000
125	T	H	0.1296
126	V	H	0.0000
127	S	H	-0.6780
128	S	H	-0.8357
1	D	L	-2.0136
2	I	L	0.0000
3	Q	L	-2.1744
4	M	L	0.0000
5	T	L	-0.9348
6	Q	L	0.0000
7	T	L	0.0341
8	P	L	0.3569
9	L	L	1.1205
10	S	L	0.0979
11	L	L	-0.0809
12	S	L	-0.6724
13	V	L	-0.9465
14	T	L	-1.3224
15	P	L	-1.4218
16	G	L	-1.6552
17	Q	L	-1.9446
18	P	L	-1.8180
19	A	L	0.0000
20	S	L	-0.6796
21	I	L	0.0000
22	S	L	-0.6620
23	C	L	0.0000
24	K	L	-2.2287
25	S	L	0.0000
26	S	L	-1.7816
27	Q	L	-1.9236
28	S	L	-0.6300
29	L	L	0.0000
30	L	L	0.9932
31	Y	L	0.4848
32	S	L	-0.4167
34	N	L	-1.4014
35	G	L	-0.9971
36	K	L	-0.8062
37	T	L	0.1195
38	Y	L	0.3514
39	L	L	0.0000
40	N	L	-0.0899
41	W	L	0.0000
42	L	L	0.0000
43	L	L	0.0000
44	Q	L	-1.1577
45	K	L	-1.5404
46	P	L	-0.8908
47	G	L	-1.2398
48	Q	L	-1.7585
49	S	L	0.0000
50	P	L	0.0000
51	K	L	-1.8364
52	R	L	0.0000
53	L	L	-0.4870
54	I	L	0.0000
55	Y	L	-0.4728
56	L	L	-0.2791
57	V	L	-0.2939
65	S	L	-0.7705
66	K	L	-1.3731
67	L	L	-0.6656
68	D	L	-1.1004
69	S	L	-0.8763
70	G	L	-0.6465
71	V	L	-0.5920
72	P	L	-0.9544
74	D	L	-2.0089
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.1114
78	G	L	-0.6821
79	S	L	-0.8116
80	G	L	-1.0358
83	S	L	-0.6556
84	G	L	-0.4817
85	T	L	-1.2850
86	D	L	-1.9117
87	F	L	0.0000
88	T	L	-0.9089
89	L	L	0.0000
90	K	L	-1.4034
91	I	L	0.0000
92	S	L	-2.0593
93	R	L	-2.9795
94	V	L	0.0000
95	E	L	-2.0312
96	A	L	-1.3250
97	E	L	-1.9515
98	D	L	0.0000
99	V	L	-0.5643
100	G	L	0.0000
101	V	L	-0.1574
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	V	L	0.0000
106	Q	L	0.0000
107	G	L	-0.0510
108	T	L	0.0000
109	H	L	0.1414
114	F	L	1.1013
115	P	L	0.0000
116	Q	L	-0.3405
117	T	L	-0.7407
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.6796
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6563
124	V	L	0.0000
125	E	L	-0.7574
126	I	L	-0.5806
127	K	L	-1.4710