Project name: 5.33E6

Chain sequence(s)	H: EVLLVESGGGLVKPGGSLKLSCAASGFTFSSYTMSWVRQTPEKRLEWVATISSGGGITYYPDSVKGRFTISRDNAKNTLYLQMSSLRSEDTALYYCARILLLFYTMDYWGQGTSVTVSS; L: DIQMNQSPSSLSASLGDTITITCHASQNINVWLSWYQQKPGNIPKLLIYKASNLHTGVPSRFSGSGSGTGFTLTISSLQPEDIATYYCQQGQSYPWTFGGGTKLEIK
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.2433
• Maximal score value: 2.5697
• Average score: -0.5177
• Total score value: -117.0089

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	-1.6222
2	V	H	-0.3059
3	L	H	0.5936
4	L	H	0.0000
5	V	H	0.5375
6	E	H	-0.3118
7	S	H	-0.6623
8	G	H	-0.8240
9	G	H	-0.3958
11	G	H	0.3522
12	L	H	1.0626
13	V	H	-0.3125
14	K	H	-1.8734
15	P	H	-1.9710
16	G	H	-1.4624
17	G	H	-1.1728
18	S	H	-0.9139
19	L	H	-0.4845
20	K	H	-1.3785
21	L	H	0.0000
22	S	H	-0.4226
23	C	H	0.0000
24	A	H	-0.1552
25	A	H	0.0000
26	S	H	-0.4642
27	G	H	-0.7330
28	F	H	-0.2634
29	T	H	-0.2438
30	F	H	0.0000
35	S	H	-0.8175
36	S	H	-0.0635
37	Y	H	0.3067
38	T	H	0.5403
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	0.0000
45	T	H	-2.0289
46	P	H	-1.9775
47	E	H	-3.0876
48	K	H	-3.0565
49	R	H	-3.2433
50	L	H	0.0000
51	E	H	-1.0836
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	T	H	0.0000
56	I	H	0.0000
57	S	H	0.2906
58	S	H	-0.1180
59	G	H	-0.5569
62	G	H	-0.2048
63	G	H	0.2721
64	I	H	1.7200
65	T	H	1.0344
66	Y	H	0.5796
67	Y	H	-0.5690
68	P	H	0.0000
69	D	H	-2.4687
70	S	H	-1.7517
71	V	H	0.0000
72	K	H	-2.5371
74	G	H	-1.6675
75	R	H	-1.5491
76	F	H	0.0000
77	T	H	-0.7807
78	I	H	0.0000
79	S	H	-0.2961
80	R	H	-1.0498
81	D	H	-1.6548
82	N	H	-1.7339
83	A	H	-1.4032
84	K	H	-2.3781
85	N	H	-1.8688
86	T	H	-1.1577
87	L	H	0.0000
88	Y	H	-0.4609
89	L	H	0.0000
90	Q	H	-1.2611
91	M	H	0.0000
92	S	H	-0.9604
93	S	H	-1.0607
94	L	H	0.0000
95	R	H	-2.5320
96	S	H	-2.0877
97	E	H	-2.4369
98	D	H	0.0000
99	T	H	-0.7615
100	A	H	0.0000
101	L	H	-0.1028
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	I	H	0.0000
108	L	H	1.7262
109	L	H	2.2597
110	L	H	2.5697
112	F	H	2.1463
113	Y	H	2.0984
114	T	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	0.3248
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.0530
121	G	H	-0.6362
122	T	H	0.0000
123	S	H	-0.2109
124	V	H	0.0000
125	T	H	-0.2271
126	V	H	0.0000
127	S	H	-0.8038
128	S	H	-0.6760
1	D	L	-2.1803
2	I	L	0.0000
3	Q	L	-2.3004
4	M	L	0.0000
5	N	L	-1.7790
6	Q	L	-1.2216
7	S	L	-0.7672
8	P	L	-0.7357
9	S	L	-1.0010
10	S	L	-1.2214
11	L	L	-0.8857
12	S	L	-1.2841
13	A	L	0.0000
14	S	L	-0.7998
15	L	L	0.1985
16	G	L	-0.4257
17	D	L	-0.7535
18	T	L	-0.4253
19	I	L	0.0000
20	T	L	-0.1037
21	I	L	0.0000
22	T	L	-0.6369
23	C	L	0.0000
24	H	L	-1.9004
25	A	L	0.0000
26	S	L	-1.9311
27	Q	L	-2.2403
28	N	L	-1.8979
29	I	L	0.0000
36	N	L	-1.1211
37	V	L	-0.1427
38	W	L	0.3007
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.1797
45	K	L	-1.6092
46	P	L	-0.9284
47	G	L	-1.1585
48	N	L	-1.7577
49	I	L	-1.1465
50	P	L	0.0000
51	K	L	-1.4342
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1178
56	K	L	-0.3304
57	A	L	0.0000
65	S	L	-0.5834
66	N	L	-0.7336
67	L	L	-0.0652
68	H	L	-0.2830
69	T	L	-0.2613
70	G	L	-0.3928
71	V	L	-0.2159
72	P	L	-0.2800
74	S	L	-0.3820
75	R	L	-0.6253
76	F	L	0.0000
77	S	L	-0.4106
78	G	L	-0.4670
79	S	L	-0.6184
80	G	L	-0.7841
83	S	L	-0.8898
84	G	L	-1.2165
85	T	L	-1.3694
86	G	L	-1.3209
87	F	L	0.0000
88	T	L	-0.4936
89	L	L	0.0000
90	T	L	-0.2426
91	I	L	0.0000
92	S	L	-0.5505
93	S	L	-0.5704
94	L	L	0.0000
95	Q	L	-0.9803
96	P	L	-1.3404
97	E	L	-1.9507
98	D	L	0.0000
99	I	L	-1.1525
100	A	L	0.0000
101	T	L	0.0000
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	G	L	0.3650
108	Q	L	-0.2437
109	S	L	-0.1904
114	Y	L	0.0266
115	P	L	-0.5550
116	W	L	0.0000
117	T	L	-0.7758
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-2.0026
121	G	L	-1.5447
122	T	L	0.0000
123	K	L	-2.2070
124	L	L	0.0000
125	E	L	-2.1112
126	I	L	-1.2465
127	K	L	-1.7272