Project name: 1C12

Chain sequence(s)	H: VKESEGGLFKPTATLTLTCTVSGFSLTTYGVSWVRQAPGNGLEWIGAIGESGSSYYANWAKSRSTITRNTNLNTVDLKMTSLTAADTATYFCARGDGDGYTFFNIWGPGTLVTVSS; L: AIDMTQTPSSVSAAVGGTVTINCQASEDIESYLAWYQQKPGQPPKLLIYDASDLASGVPSRFKGSGSGTEFTLTISGVESADAATYYCQEGYTSNNVDNAFGGGTKLEIK
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.4959
• Maximal score value: 1.2653
• Average score: -0.5465
• Total score value: -123.4991

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
4	V	H	-0.2530
5	K	H	-1.4028
6	E	H	0.0000
7	S	H	-1.1951
8	E	H	-1.6313
9	G	H	-0.2717
11	G	H	0.4411
12	L	H	1.2653
13	F	H	0.2967
14	K	H	-0.9444
15	P	H	-0.6160
16	T	H	-0.4711
17	A	H	-0.4326
18	T	H	-0.4550
19	L	H	0.0000
20	T	H	-0.6658
21	L	H	0.0000
22	T	H	-0.8464
23	C	H	0.0000
24	T	H	-0.3255
25	V	H	0.0000
26	S	H	-0.4749
27	G	H	-0.3549
28	F	H	0.0357
29	S	H	-0.2132
30	L	H	0.0000
35	T	H	-0.6461
36	T	H	-0.6086
37	Y	H	-0.8661
38	G	H	-0.9117
39	V	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	-0.7278
45	A	H	-0.7057
46	P	H	-0.7737
47	G	H	-1.2911
48	N	H	-1.8543
49	G	H	-1.2141
50	L	H	0.0000
51	E	H	-0.9269
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	A	H	0.1071
56	I	H	0.0000
57	G	H	-1.0939
58	E	H	-1.5113
59	S	H	-1.0026
63	G	H	-0.6963
64	S	H	-0.3668
65	S	H	-0.0242
66	Y	H	-0.1144
67	Y	H	-0.5785
68	A	H	0.0000
69	N	H	-1.4462
70	W	H	-0.4056
71	A	H	0.0000
72	K	H	-1.2139
74	S	H	-0.9023
75	R	H	-0.7634
76	S	H	0.0000
77	T	H	-0.5308
78	I	H	0.0000
79	T	H	-0.6243
80	R	H	-0.8905
81	N	H	-0.9506
82	T	H	-0.8530
83	N	H	-0.9257
84	L	H	0.4895
85	N	H	-0.2683
86	T	H	0.0000
87	V	H	0.0000
88	D	H	-0.6874
89	L	H	0.0000
90	K	H	-0.9140
91	M	H	0.0000
92	T	H	-0.4586
93	S	H	-0.4491
94	L	H	0.0000
95	T	H	-0.2801
96	A	H	-0.1374
97	A	H	0.0304
98	D	H	0.0000
99	T	H	0.4105
100	A	H	0.0000
101	T	H	0.3916
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.0506
107	G	H	0.0000
108	D	H	-0.8283
109	G	H	-1.2594
110	D	H	-2.1516
111	G	H	-0.9220
112	Y	H	0.3242
113	T	H	-0.0749
114	F	H	0.3024
115	F	H	0.0000
116	N	H	-0.3501
117	I	H	0.1859
118	W	H	0.0000
119	G	H	0.0000
120	P	H	-0.6339
121	G	H	-0.5676
122	T	H	0.0000
123	L	H	1.2017
124	V	H	0.0000
125	T	H	0.7213
126	V	H	0.0000
127	S	H	-0.2055
128	S	H	-0.4337
1	A	L	-1.6517
2	I	L	0.0000
3	D	L	-2.5064
4	M	L	0.0000
5	T	L	-1.3117
6	Q	L	-1.0808
7	T	L	-0.6216
8	P	L	-0.5607
9	S	L	-0.7364
10	S	L	-0.7865
11	V	L	-0.4110
12	S	L	-0.7042
13	A	L	-0.4788
14	A	L	-0.3514
15	V	L	0.5368
16	G	L	-0.3156
17	G	L	-0.2959
18	T	L	-0.2953
19	V	L	0.0000
20	T	L	-0.3507
21	I	L	0.0000
22	N	L	-1.0032
23	C	L	0.0000
24	Q	L	-2.4382
25	A	L	0.0000
26	S	L	-2.4804
27	E	L	-3.4524
28	D	L	-3.4959
29	I	L	0.0000
36	E	L	-2.8198
37	S	L	-1.4763
38	Y	L	-0.4991
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8890
44	Q	L	0.0000
45	K	L	-1.2565
46	P	L	-1.0346
47	G	L	-1.2037
48	Q	L	-1.6690
49	P	L	-1.1164
50	P	L	0.0000
51	K	L	-1.4580
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.4013
56	D	L	-1.2151
57	A	L	0.0000
65	S	L	-1.4789
66	D	L	-1.7828
67	L	L	-0.8657
68	A	L	0.0000
69	S	L	-0.4942
70	G	L	-0.4719
71	V	L	-0.4688
72	P	L	-0.5256
74	S	L	-0.7506
75	R	L	-1.0780
76	F	L	0.0000
77	K	L	-2.0849
78	G	L	0.0000
79	S	L	-1.1773
80	G	L	-1.2326
83	S	L	-1.7490
84	G	L	-2.4662
85	T	L	-2.4104
86	E	L	-2.1436
87	F	L	0.0000
88	T	L	-0.9716
89	L	L	0.0000
90	T	L	-0.8282
91	I	L	0.0000
92	S	L	-0.8306
93	G	L	-0.6245
94	V	L	0.0000
95	E	L	-0.9848
96	S	L	-0.6259
97	A	L	-0.1855
98	D	L	0.0000
99	A	L	-0.7089
100	A	L	0.0000
101	T	L	-0.8653
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	E	L	0.0000
107	G	L	0.4405
108	Y	L	0.0624
109	T	L	-0.4967
110	S	L	-0.8420
112	N	L	-1.8473
113	N	L	-2.1303
114	V	L	0.0000
115	D	L	-1.5078
116	N	L	-0.9451
117	A	L	-0.7114
118	F	L	-0.4806
119	G	L	0.0000
120	G	L	-1.0458
121	G	L	-0.8634
122	T	L	0.0000
123	K	L	-1.4033
124	L	L	0.0000
125	E	L	-1.3034
126	I	L	-0.8296
127	K	L	-1.5155