Project name: P2C5

Chain sequence(s)	H: EVQLQQPGVELVKPGASVKLSCKASGYTFTNYWMHWVKQRPGRGLEWIGRIDPDNGETKYNEKFKTKATLTVDKPSSTAYMHLSSLTSDDSAVYYCARRAYYSKNAMDYWGQGTSVTVSS; L: DIVLTQSPASLAVSLGQRATISCRASESVDNYGISFMHWYQQKPGQPPKLLIYRASNLESGIPARFSGSGSRTDFTLTINPVETDDVATYYCQQSNKDPWTFGGGTKLEIK
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                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -3.5284
• Maximal score value: 1.6683
• Average score: -0.7024
• Total score value: -162.2637

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	-2.1687
2	V	H	-1.4042
3	Q	H	-2.0702
4	L	H	0.0000
5	Q	H	-2.0378
6	Q	H	0.0000
7	P	H	-0.3927
8	G	H	-0.0431
9	V	H	1.6683
11	E	H	0.8788
12	L	H	1.3891
13	V	H	0.0235
14	K	H	-1.6469
15	P	H	-1.3790
16	G	H	-1.1017
17	A	H	-0.8890
18	S	H	-1.0154
19	V	H	0.0000
20	K	H	-1.6707
21	L	H	0.0000
22	S	H	-0.7130
23	C	H	0.0000
24	K	H	-1.5565
25	A	H	0.0000
26	S	H	-1.3738
27	G	H	-1.2687
28	Y	H	-0.7046
29	T	H	-0.5080
30	F	H	0.0000
35	T	H	-1.5972
36	N	H	-1.1706
37	Y	H	-0.1439
38	W	H	-0.2623
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-1.0223
45	R	H	-1.6156
46	P	H	-1.2187
47	G	H	-1.6423
48	R	H	-2.5426
49	G	H	-1.5527
50	L	H	0.0000
51	E	H	-1.2740
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	0.0000
56	I	H	0.0000
57	D	H	0.0000
58	P	H	0.0000
59	D	H	-2.9982
62	N	H	-2.4645
63	G	H	-1.7314
64	E	H	-1.8024
65	T	H	-1.1574
66	K	H	-1.6130
67	Y	H	-1.8343
68	N	H	-2.6390
69	E	H	-3.5284
70	K	H	-3.2023
71	F	H	0.0000
72	K	H	-3.0319
74	T	H	-1.6584
75	K	H	-1.4262
76	A	H	0.0000
77	T	H	-0.7219
78	L	H	0.0000
79	T	H	-0.3912
80	V	H	-0.7087
81	D	H	-1.1903
82	K	H	-1.7975
83	P	H	-0.9174
84	S	H	-0.7979
85	S	H	-0.8789
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3524
89	M	H	0.0000
90	H	H	-1.0854
91	L	H	0.0000
92	S	H	-0.7805
93	S	H	-0.8180
94	L	H	0.0000
95	T	H	-1.2599
96	S	H	-1.4486
97	D	H	-1.9875
98	D	H	0.0000
99	S	H	-0.6543
100	A	H	0.0000
101	V	H	0.2494
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	R	H	0.1602
108	A	H	0.0000
109	Y	H	1.0670
110	Y	H	1.3417
111	S	H	0.3997
112	K	H	0.0350
113	N	H	0.1308
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.3318
117	Y	H	0.0281
118	W	H	-0.5906
119	G	H	0.0000
120	Q	H	-1.5809
121	G	H	0.0000
122	T	H	0.0000
123	S	H	0.5727
124	V	H	0.0000
125	T	H	0.2228
126	V	H	0.0000
127	S	H	-0.5436
128	S	H	-0.6911
1	D	L	-2.0570
2	I	L	0.0000
3	V	L	0.6386
4	L	L	0.0000
5	T	L	-0.5959
6	Q	L	-0.6710
7	S	L	-0.6281
8	P	L	-0.5076
9	A	L	-0.6141
10	S	L	-1.1235
11	L	L	-0.8497
12	A	L	-0.9799
13	V	L	0.0000
14	S	L	-1.3437
15	L	L	-0.5683
16	G	L	-1.4022
17	Q	L	-2.5413
18	R	L	-2.8527
19	A	L	0.0000
20	T	L	-0.6420
21	I	L	0.0000
22	S	L	-0.8993
23	C	L	0.0000
24	R	L	-2.5717
25	A	L	0.0000
26	S	L	-1.3140
27	E	L	-2.3241
28	S	L	-2.1860
29	V	L	0.0000
30	D	L	-1.2502
31	N	L	-0.6251
34	Y	L	0.9225
35	G	L	0.0076
36	I	L	0.3118
37	S	L	-0.5871
38	F	L	-0.4061
39	M	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	-1.2538
45	K	L	-1.5264
46	P	L	-1.0367
47	G	L	-1.4253
48	Q	L	-2.1115
49	P	L	-1.3573
50	P	L	0.0000
51	K	L	-1.6646
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.2909
56	R	L	-0.3685
57	A	L	0.0000
65	S	L	-0.4716
66	N	L	-0.5372
67	L	L	0.0044
68	E	L	-0.5187
69	S	L	-0.4905
70	G	L	-0.5743
71	I	L	0.0000
72	P	L	-0.2927
74	A	L	-0.2555
75	R	L	-0.9577
76	F	L	0.0000
77	S	L	-0.4284
78	G	L	-0.4168
79	S	L	-0.7778
80	G	L	-1.4575
83	S	L	-1.7017
84	R	L	-2.8714
85	T	L	-2.5351
86	D	L	-2.5824
87	F	L	0.0000
88	T	L	-0.7798
89	L	L	0.0000
90	T	L	-0.8016
91	I	L	0.0000
92	N	L	-2.0864
93	P	L	-1.8429
94	V	L	0.0000
95	E	L	-1.8251
96	T	L	-1.3891
97	D	L	-1.8935
98	D	L	0.0000
99	V	L	-0.7370
100	A	L	0.0000
101	T	L	-1.0827
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	0.0000
108	N	L	-1.3259
109	K	L	-2.4456
114	D	L	-2.4915
115	P	L	-2.2798
116	W	L	0.0000
117	T	L	-0.4291
118	F	L	0.1497
119	G	L	0.0000
120	G	L	-0.7513
121	G	L	-1.0647
122	T	L	0.0000
123	K	L	-2.0601
124	L	L	0.0000
125	E	L	-2.1401
126	I	L	-1.1956
127	K	L	-1.7967