Project name: 2C4

Chain sequence(s)	H: VKESEGGLFKPTDTLTLTCTVSGFSLSTYGMSWVRQAPGNGLEWIGAVGQSGSSYYAGWAKSRSTITRNTNLNTVTLKMTSLTAADTATYFCARGISDGYSDGLDIWGPGTLVTISS; L: AIDMTQTPSPVSAAVGGTATINCQASESIGSSLAWYQQKPGQPPKLLIYDASDLASGVPSRFKGSGSGTQFTLTISGVQSDDAATYYCQQGYSSNVENAFGGGTIVEIR
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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -2.2983
• Maximal score value: 1.0751
• Average score: -0.4016
• Total score value: -90.7661

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	-0.0825
5	K	H	-0.8199
6	E	H	0.0000
7	S	H	-1.0962
8	E	H	-1.7264
9	G	H	-0.4758
11	G	H	0.2204
12	L	H	1.0238
13	F	H	-0.0402
14	K	H	-1.5273
15	P	H	-1.0038
16	T	H	-0.8715
17	D	H	-1.0538
18	T	H	-0.7959
19	L	H	0.0000
20	T	H	-0.5079
21	L	H	0.0000
22	T	H	-0.5947
23	C	H	0.0000
24	T	H	-0.2027
25	V	H	0.0000
26	S	H	-0.3936
27	G	H	-0.4193
28	F	H	-0.0709
29	S	H	-0.1974
30	L	H	0.0000
35	S	H	-0.6417
36	T	H	-0.0046
37	Y	H	0.0405
38	G	H	-0.3857
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	-0.6594
45	A	H	-0.6861
46	P	H	-0.8131
47	G	H	-1.2660
48	N	H	-1.7618
49	G	H	-1.0758
50	L	H	0.0000
51	E	H	-0.6030
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	A	H	0.3067
56	V	H	0.0000
57	G	H	-0.5516
58	Q	H	-0.8126
59	S	H	-0.6126
63	G	H	-0.6746
64	S	H	-0.2039
65	S	H	0.3192
66	Y	H	1.0751
67	Y	H	0.3345
68	A	H	0.0000
69	G	H	-0.4158
70	W	H	0.0450
71	A	H	0.0000
72	K	H	-1.2476
74	S	H	-0.9866
75	R	H	-1.0048
76	S	H	0.0000
77	T	H	-0.5729
78	I	H	0.0000
79	T	H	-0.6046
80	R	H	-0.9354
81	N	H	-1.0262
82	T	H	-0.9036
83	N	H	-0.9755
84	L	H	0.4366
85	N	H	-0.4273
86	T	H	-0.3861
87	V	H	0.0000
88	T	H	-0.4732
89	L	H	0.0000
90	K	H	-0.9965
91	M	H	0.0000
92	T	H	-0.6819
93	S	H	-0.7099
94	L	H	0.0000
95	T	H	-0.3910
96	A	H	-0.1846
97	A	H	0.0443
98	D	H	0.0000
99	T	H	0.2885
100	A	H	0.0000
101	T	H	0.1834
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0403
107	G	H	-0.3168
108	I	H	0.0061
109	S	H	-0.7231
110	D	H	-1.6819
111	G	H	-0.7478
112A	Y	H	0.3392
112	S	H	-0.1745
113	D	H	-0.5919
114	G	H	0.0000
115	L	H	0.0000
116	D	H	-0.6702
117	I	H	0.1903
118	W	H	-0.1825
119	G	H	0.0000
120	P	H	-0.5738
121	G	H	-0.5648
122	T	H	0.0000
123	L	H	0.6104
124	V	H	0.0000
125	T	H	0.4418
126	I	H	0.0000
127	S	H	-0.3753
128	S	H	-0.5845
1	A	L	-0.8246
2	I	L	0.0000
3	D	L	-2.2983
4	M	L	0.0000
5	T	L	-1.2837
6	Q	L	-0.9858
7	T	L	-0.6159
8	P	L	-0.2039
9	S	L	-0.1401
10	P	L	0.0581
11	V	L	0.2010
12	S	L	-0.2941
13	A	L	0.0000
14	A	L	-0.3014
15	V	L	0.6419
16	G	L	-0.2084
17	G	L	-0.2409
18	T	L	-0.2544
19	A	L	0.0000
20	T	L	-0.2753
21	I	L	0.0000
22	N	L	-0.8826
23	C	L	0.0000
24	Q	L	-2.0186
25	A	L	0.0000
26	S	L	-1.5204
27	E	L	-1.3527
28	S	L	-0.8702
29	I	L	0.0000
36	G	L	-0.7663
37	S	L	-0.5852
38	S	L	-0.1650
39	L	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	-1.0219
46	P	L	-0.9339
47	G	L	-1.1127
48	Q	L	-1.4643
49	P	L	-0.8999
50	P	L	0.0000
51	K	L	-1.3021
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.6162
56	D	L	-1.2837
57	A	L	0.0000
65	S	L	-1.3363
66	D	L	-1.6208
67	L	L	-0.7401
68	A	L	-0.5321
69	S	L	-0.5571
70	G	L	-0.4795
71	V	L	-0.5606
72	P	L	-0.4981
74	S	L	-0.6877
75	R	L	-0.9653
76	F	L	0.0000
77	K	L	-1.5792
78	G	L	0.0000
79	S	L	-1.0930
80	G	L	-1.0179
83	S	L	-1.0192
84	G	L	-0.9598
85	T	L	-1.1807
86	Q	L	-1.4586
87	F	L	0.0000
88	T	L	-0.8257
89	L	L	0.0000
90	T	L	-0.6455
91	I	L	0.0000
92	S	L	-0.6977
93	G	L	-0.5112
94	V	L	0.0000
95	Q	L	-1.4138
96	S	L	-1.4356
97	D	L	-2.1634
98	D	L	0.0000
99	A	L	-0.7946
100	A	L	0.0000
101	T	L	0.2127
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	0.0757
108	Y	L	0.3782
109	S	L	-0.1861
110	S	L	-0.5101
113	N	L	-0.7591
114	V	L	0.0939
115	E	L	-0.7345
116	N	L	-0.3633
117	A	L	-0.4783
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.0116
121	G	L	0.0000
122	T	L	0.0000
123	I	L	0.8854
124	V	L	0.0000
125	E	L	-0.6691
126	I	L	-0.8099
127	R	L	-1.4982