Project name: fc0648363d9bf92

Chain sequence(s)	H: EVQLVQSGAEVKKPGASVKVSCKASGYTFTSYWMHWVRQAPGQRLEWMGMIHPNSGSTNYNEKFKGRVTITRDTSASTAYMELSSLRSEDTAVYYCARLKTGNSFDYWGQGTTVTVSS; L: DIVLTQSPDSLAVSLGERATINCKSSQSLLNSGNQKNYLTWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNAYTYPFTFGQGTKLEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:16)

• Minimal score value: -3.3444
• Maximal score value: 0.8338
• Average score: -0.6669
• Total score value: -154.0516

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	-2.1649
2	V	H	-1.3219
3	Q	H	-1.4045
4	L	H	0.0000
5	V	H	0.7533
6	Q	H	0.0000
7	S	H	-0.5019
8	G	H	-0.5704
9	A	H	-0.0648
11	E	H	-0.2064
12	V	H	0.8338
13	K	H	-0.9915
14	K	H	-2.1482
15	P	H	-2.1532
16	G	H	-1.4900
17	A	H	-1.2290
18	S	H	-1.4053
19	V	H	0.0000
20	K	H	-2.0530
21	V	H	0.0000
22	S	H	-0.5609
23	C	H	0.0000
24	K	H	-0.7706
25	A	H	0.0000
26	S	H	-0.9361
27	G	H	-1.2690
28	Y	H	-0.5293
29	T	H	-0.2206
30	F	H	0.0000
35	T	H	-0.7887
36	S	H	-0.3707
37	Y	H	0.0777
38	W	H	0.0785
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7769
45	A	H	-1.1332
46	P	H	-0.9147
47	G	H	-1.3933
48	Q	H	-2.0667
49	R	H	-1.8238
50	L	H	0.0000
51	E	H	-0.9264
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	M	H	0.0000
56	I	H	0.0000
57	H	H	-0.7779
58	P	H	0.0000
59	N	H	-1.6196
62	S	H	-1.0857
63	G	H	-0.9374
64	S	H	-0.7241
65	T	H	-0.5278
66	N	H	-1.1633
67	Y	H	-1.5321
68	N	H	-2.2085
69	E	H	-3.3444
70	K	H	-3.2259
71	F	H	0.0000
72	K	H	-3.2515
74	G	H	-2.0051
75	R	H	-1.6152
76	V	H	0.0000
77	T	H	-0.9685
78	I	H	0.0000
79	T	H	-0.7337
80	R	H	-1.2665
81	D	H	-1.2834
82	T	H	-0.8811
83	S	H	-0.5211
84	A	H	-0.6203
85	S	H	-0.7216
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.7752
89	M	H	0.0000
90	E	H	-1.4343
91	L	H	0.0000
92	S	H	-1.1514
93	S	H	-1.1582
94	L	H	0.0000
95	R	H	-2.7002
96	S	H	-2.1836
97	E	H	-2.4149
98	D	H	0.0000
99	T	H	-0.8214
100	A	H	0.0000
101	V	H	0.2260
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	L	H	0.0669
108	K	H	-0.3604
109	T	H	-0.3003
110	G	H	-0.3217
113	N	H	-0.2082
114	S	H	0.0000
115	F	H	0.0000
116	D	H	-0.1543
117	Y	H	0.0564
118	W	H	-0.0614
119	G	H	0.0000
120	Q	H	-1.0795
121	G	H	-0.4784
122	T	H	0.0000
123	T	H	0.0309
124	V	H	0.0000
125	T	H	-0.3090
126	V	H	0.0000
127	S	H	-0.8578
128	S	H	-0.7766
1	D	L	-1.4835
2	I	L	0.0000
3	V	L	0.5810
4	L	L	0.0000
5	T	L	-0.6804
6	Q	L	0.0000
7	S	L	-1.1885
8	P	L	-1.3418
9	D	L	-2.3219
10	S	L	-1.5966
11	L	L	-0.8231
12	A	L	-0.4600
13	V	L	-0.9256
14	S	L	-0.9269
15	L	L	0.0711
16	G	L	-1.0262
17	E	L	-2.6136
18	R	L	-2.6992
19	A	L	0.0000
20	T	L	-0.5903
21	I	L	0.0000
22	N	L	-1.3156
23	C	L	0.0000
24	K	L	-2.0333
25	S	L	0.0000
26	S	L	-0.9764
27	Q	L	-1.5080
28	S	L	-0.9241
29	L	L	0.0000
30	L	L	-0.4875
31	N	L	-1.0038
32	S	L	-1.2010
33	G	L	-1.3249
34	N	L	-1.6874
35	Q	L	-2.0109
36	K	L	-1.4464
37	N	L	0.0000
38	Y	L	0.1029
39	L	L	0.0000
40	T	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.7672
45	K	L	-1.2426
46	P	L	-0.8090
47	G	L	-1.2422
48	Q	L	-1.5938
49	P	L	-1.0049
50	P	L	0.0000
51	K	L	-0.8740
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1127
56	W	L	-0.2191
57	A	L	0.0000
65	S	L	-0.5490
66	T	L	-0.4407
67	R	L	-1.2274
68	E	L	-1.0364
69	S	L	-0.7092
70	G	L	-0.9789
71	V	L	0.0000
72	P	L	-1.3981
74	D	L	-2.2465
75	R	L	-1.5892
76	F	L	0.0000
77	S	L	-0.8861
78	G	L	-0.4606
79	S	L	-0.6853
80	G	L	-1.0520
83	S	L	-1.0508
84	G	L	-1.0583
85	T	L	-1.4707
86	D	L	-2.1415
87	F	L	0.0000
88	T	L	-0.8748
89	L	L	0.0000
90	T	L	-0.6528
91	I	L	0.0000
92	S	L	-1.7828
93	S	L	-1.6532
94	L	L	0.0000
95	Q	L	-0.9904
96	A	L	-0.6425
97	E	L	-1.8525
98	D	L	0.0000
99	V	L	-0.5315
100	A	L	0.0000
101	V	L	-0.5008
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	N	L	0.0000
107	A	L	0.0000
108	Y	L	0.6571
109	T	L	0.1653
114	Y	L	0.0098
115	P	L	-0.5470
116	F	L	0.0000
117	T	L	0.0063
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.2198
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.9142
124	L	L	0.0000
125	E	L	-0.8038
126	I	L	-0.2559
127	K	L	-1.3561