Project name: rst

Chain sequence(s)	H: EVKLVESGGGLVQPGGSLRLSCATSGFTFIDYYMSWVRQPPGKALEWLAFIRNKANGYTTEYSASVRGRFTISRDDSQSILYLQMNTLRPEDSATYYCARGGTYFDVWGAGTTVTVSS; L: DIVLTQSPASLAVSLVQRATISCRASESVNNYDNGFIHWYQQKPGQPPKLLISRASNLKSGIPARFSGSGSRTDFTLTINPVEADDVATYYCQQSNEDPYTFGGGTKLEIK
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:22)

• Minimal score value: -3.5129
• Maximal score value: 1.336
• Average score: -0.6923
• Total score value: -158.5462

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	-1.7251
2	V	H	-0.4961
3	K	H	-0.6166
4	L	H	0.0000
5	V	H	1.3360
6	E	H	0.0000
7	S	H	-0.2905
8	G	H	-1.0699
9	G	H	-0.4442
11	G	H	0.3171
12	L	H	1.2897
13	V	H	0.0885
14	Q	H	-1.2648
15	P	H	-1.4149
16	G	H	-1.2746
17	G	H	-0.9902
18	S	H	-1.2010
19	L	H	-1.0150
20	R	H	-2.2640
21	L	H	0.0000
22	S	H	-0.3914
23	C	H	0.0000
24	A	H	0.2344
25	T	H	0.0000
26	S	H	-0.5375
27	G	H	-0.7826
28	F	H	-0.2558
29	T	H	-0.3217
30	F	H	0.0000
35	I	H	-0.5267
36	D	H	-1.7451
37	Y	H	-0.6390
38	Y	H	-0.4505
39	M	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	-1.0761
45	P	H	0.0000
46	P	H	-1.2605
47	G	H	-1.4308
48	K	H	-2.1955
49	A	H	-1.2397
50	L	H	0.0000
51	E	H	-0.6807
52	W	H	0.0000
53	L	H	0.0000
54	A	H	0.0000
55	F	H	-0.3649
56	I	H	0.0000
57	R	H	-1.3319
58	N	H	-1.4584
59	K	H	-1.8756
60	A	H	-1.2954
61	N	H	-1.5350
62	G	H	-1.0410
63	Y	H	-0.2827
64	T	H	-0.6309
65	T	H	-0.8362
66	E	H	-2.1792
67	Y	H	-1.5612
68	S	H	0.0000
69	A	H	-1.3177
70	S	H	-0.8936
71	V	H	0.0000
72	R	H	-2.3166
74	G	H	-1.5150
75	R	H	-1.3606
76	F	H	0.0000
77	T	H	-1.1835
78	I	H	0.0000
79	S	H	-0.2532
80	R	H	-0.4615
81	D	H	-0.8824
82	D	H	-1.2282
83	S	H	-0.9810
84	Q	H	-1.4846
85	S	H	-0.6978
86	I	H	-0.1667
87	L	H	0.0000
88	Y	H	-0.5897
89	L	H	0.0000
90	Q	H	-1.6493
91	M	H	0.0000
92	N	H	-1.2998
93	T	H	-1.0401
94	L	H	0.0000
95	R	H	-2.1536
96	P	H	-1.9013
97	E	H	-2.3323
98	D	H	0.0000
99	S	H	-0.8005
100	A	H	0.0000
101	T	H	-0.2078
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.0031
107	G	H	0.0000
108	G	H	-0.5100
109	T	H	-0.0977
114	Y	H	0.2866
115	F	H	0.0000
116	D	H	0.0000
117	V	H	0.1847
118	W	H	0.0564
119	G	H	0.0000
120	A	H	0.0389
121	G	H	0.0320
122	T	H	-0.0614
123	T	H	-0.0655
124	V	H	0.0000
125	T	H	-0.1481
126	V	H	0.0000
127	S	H	-0.5818
128	S	H	-0.4437
1	D	L	-2.3141
2	I	L	0.0000
3	V	L	0.5634
4	L	L	0.0000
5	T	L	-0.6280
6	Q	L	-0.6442
7	S	L	-0.7753
8	P	L	-0.4501
9	A	L	-0.5327
10	S	L	-0.8823
11	L	L	-0.6449
12	A	L	-0.6621
13	V	L	-0.5756
14	S	L	-0.6242
15	L	L	0.3131
16	V	L	0.6416
17	Q	L	-1.2486
18	R	L	-2.3352
19	A	L	0.0000
20	T	L	-0.7159
21	I	L	0.0000
22	S	L	-0.9126
23	C	L	0.0000
24	R	L	-2.7130
25	A	L	0.0000
26	S	L	-1.3845
27	E	L	-2.6517
28	S	L	-2.5914
29	V	L	0.0000
30	N	L	-2.7545
31	N	L	-1.4819
34	Y	L	-0.2421
35	D	L	-1.8852
36	N	L	-2.3250
37	G	L	-1.9067
38	F	L	-0.9289
39	I	L	0.0000
40	H	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	-1.4749
46	P	L	-0.8681
47	G	L	-1.1630
48	Q	L	-1.6509
49	P	L	-1.0475
50	P	L	0.0000
51	K	L	-1.7213
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	S	L	0.0000
56	R	L	-1.4224
57	A	L	-1.0417
65	S	L	-1.0698
66	N	L	-1.4035
67	L	L	-0.2802
68	K	L	-0.6661
69	S	L	-0.5820
70	G	L	-0.7357
71	I	L	0.0000
72	P	L	-0.3478
74	A	L	-0.2494
75	R	L	-1.0707
76	F	L	0.0000
77	S	L	-0.5150
78	G	L	-0.6188
79	S	L	-0.9818
80	G	L	-1.8435
83	S	L	-2.2472
84	R	L	-3.5129
85	T	L	0.0000
86	D	L	-2.8636
87	F	L	0.0000
88	T	L	-0.8655
89	L	L	0.0000
90	T	L	-0.7965
91	I	L	0.0000
92	N	L	-1.8501
93	P	L	-1.3262
94	V	L	0.0000
95	E	L	-1.6583
96	A	L	-1.0702
97	D	L	-1.9505
98	D	L	0.0000
99	V	L	-0.6477
100	A	L	0.0000
101	T	L	-0.8065
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	S	L	-0.5584
108	N	L	-1.6952
109	E	L	-2.5684
114	D	L	-3.0676
115	P	L	-2.1868
116	Y	L	-1.1396
117	T	L	-0.6292
118	F	L	0.0573
119	G	L	0.0000
120	G	L	-0.6804
121	G	L	-0.9393
122	T	L	0.0000
123	K	L	-1.5817
124	L	L	0.0000
125	E	L	-1.2010
126	I	L	-0.7034
127	K	L	-1.2539