Project name: P2C9

Chain sequence(s)	H: EVQLVESGGGLVQPKGSLKLSCAASGFTFNSYAMHWVRQAPGKGLEWIARIRSKSSNYVTYYADSVRDRFTISRDDSQSMLYLQVSNLKTEDTAMYYCVRDPDYYGTDWYFDVWGTGTTVTVSS; L: SIVMTQSHKFMSTSVGDRVSITCKASQDVGTAVAWYQQKPGQSPKLLIYWASTRHTGVPDRFTGSGSGTDFTLTISNVQSEDLADYFCQQYSSYPLTFGAGTKLELK
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)

• Minimal score value: -3.0053
• Maximal score value: 1.2794
• Average score: -0.5656
• Total score value: -130.6607

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	-1.8575
2	V	H	-0.7158
3	Q	H	-0.7049
4	L	H	0.0000
5	V	H	1.0761
6	E	H	0.3234
7	S	H	-0.3212
8	G	H	-0.8271
9	G	H	-0.3338
11	G	H	0.4071
12	L	H	1.1915
13	V	H	-0.1784
14	Q	H	-1.7020
15	P	H	-2.3031
16	K	H	-3.0053
17	G	H	-1.9386
18	S	H	-1.4664
19	L	H	-0.6553
20	K	H	-1.2049
21	L	H	0.0000
22	S	H	-0.1914
23	C	H	0.0000
24	A	H	0.0921
25	A	H	0.0000
26	S	H	-0.6817
27	G	H	-0.9785
28	F	H	-0.4176
29	T	H	-0.3333
30	F	H	0.0000
35	N	H	-1.8164
36	S	H	-1.0260
37	Y	H	-0.6648
38	A	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	0.0000
45	A	H	-1.1626
46	P	H	-0.9720
47	G	H	-1.4252
48	K	H	-2.1215
49	G	H	-1.2787
50	L	H	0.0000
51	E	H	-0.8566
52	W	H	0.0000
53	I	H	0.0000
54	A	H	0.0000
55	R	H	0.0000
56	I	H	0.0000
57	R	H	-1.2511
58	S	H	0.0000
59	K	H	-2.5415
60	S	H	-1.5801
61	S	H	-1.2745
62	N	H	-1.7372
63	Y	H	-0.8167
64	V	H	-0.0408
65	T	H	0.2267
66	Y	H	0.2589
67	Y	H	-0.6539
68	A	H	0.0000
69	D	H	-2.3777
70	S	H	-1.7732
71	V	H	0.0000
72	R	H	-2.4281
74	D	H	-2.7961
75	R	H	-1.9083
76	F	H	0.0000
77	T	H	-0.8129
78	I	H	0.0000
79	S	H	-0.1515
80	R	H	0.0000
81	D	H	-1.2562
82	D	H	-1.5847
83	S	H	-1.2000
84	Q	H	-1.6124
85	S	H	-1.0569
86	M	H	-0.4815
87	L	H	0.0000
88	Y	H	-0.2727
89	L	H	0.0000
90	Q	H	-0.9163
91	V	H	0.0000
92	S	H	-1.8642
93	N	H	-2.8645
94	L	H	0.0000
95	K	H	-2.7481
96	T	H	-1.9258
97	E	H	-2.2793
98	D	H	0.0000
99	T	H	-0.6714
100	A	H	0.0000
101	M	H	0.1136
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	V	H	0.0000
106	R	H	0.0000
107	D	H	0.0000
108	P	H	0.0684
109	D	H	-0.1966
110	Y	H	0.7992
111	Y	H	1.2727
111A	G	H	0.4544
112A	T	H	0.4519
112	D	H	0.0000
113	W	H	0.3925
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	-0.1335
117	V	H	0.0604
118	W	H	0.1086
119	G	H	0.0000
120	T	H	-0.1616
121	G	H	-0.0573
122	T	H	0.0000
123	T	H	-0.0222
124	V	H	0.0000
125	T	H	-0.0586
126	V	H	0.0000
127	S	H	-0.6402
128	S	H	-0.4758
1	S	L	0.0873
2	I	L	0.0000
3	V	L	1.2794
4	M	L	0.0000
5	T	L	-0.3895
6	Q	L	0.0000
7	S	L	-1.0606
8	H	L	-1.3144
9	K	L	-1.4109
10	F	L	0.3749
11	M	L	-0.1222
12	S	L	-0.4662
13	T	L	0.0000
14	S	L	-0.6430
15	V	L	0.2723
16	G	L	-0.9943
17	D	L	-1.7006
18	R	L	-2.4407
19	V	L	0.0000
20	S	L	-0.5675
21	I	L	0.0000
22	T	L	-0.8453
23	C	L	0.0000
24	K	L	-1.8891
25	A	L	0.0000
26	S	L	-0.9134
27	Q	L	-2.0207
28	D	L	-2.8200
29	V	L	0.0000
36	G	L	-1.3140
37	T	L	-0.6645
38	A	L	0.0000
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	0.0000
45	K	L	-1.6187
46	P	L	-1.1383
47	G	L	-1.3077
48	Q	L	-1.8327
49	S	L	-1.0202
50	P	L	0.0000
51	K	L	-1.0919
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0595
56	W	L	0.1826
57	A	L	0.0000
65	S	L	-0.4208
66	T	L	-0.4961
67	R	L	-1.3641
68	H	L	-0.8188
69	T	L	-0.5956
70	G	L	-0.8443
71	V	L	-0.9847
72	P	L	-1.3229
74	D	L	-2.3125
75	R	L	-1.7815
76	F	L	0.0000
77	T	L	-0.7845
78	G	L	0.0000
79	S	L	-0.5802
80	G	L	-1.0139
83	S	L	-1.3024
84	G	L	-1.8409
85	T	L	-2.1956
86	D	L	-2.4300
87	F	L	0.0000
88	T	L	-0.6664
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.9640
93	N	L	-2.1603
94	V	L	0.0000
95	Q	L	-0.8150
96	S	L	-0.8113
97	E	L	-1.7736
98	D	L	0.0000
99	L	L	-0.7734
100	A	L	0.0000
101	D	L	-0.9716
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	Y	L	0.0000
108	S	L	-0.4097
109	S	L	0.1080
114	Y	L	0.5937
115	P	L	-0.0348
116	L	L	0.0000
117	T	L	0.2768
118	F	L	0.0000
119	G	L	0.0000
120	A	L	-0.7544
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6979
124	L	L	0.0000
125	E	L	-0.9721
126	L	L	-0.5009
127	K	L	-1.4481