Project name: 5UDC

Chain sequence(s)	H: QVQLVQSGAEVKKPGSSVMVSCQASGGLLEDYIINWVRQAPGQGPEWMGGIIPVLGTVHYGPKFQGRVTITADESTDTAYMELSSLRSEDTAMYYCATETALVVSETYLPHYFDNWGQGTLVTVSS; L: DIQMTQSPSSLSAAVGDRVTITCQASQDIVNYLNWYQQKPGKAPKLLIYVASNLETGVPSRFSGSGSGTDFSLTISSLQPEDVATYYCQQYDNLPLTFGGGTKVEIK
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -2.8518
• Maximal score value: 2.7703
• Average score: -0.4561
• Total score value: -106.2722

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	Q	H	-1.7189
2	V	H	0.0000
3	Q	H	-1.5633
4	L	H	0.0000
5	V	H	0.4414
6	Q	H	0.0000
7	S	H	-0.0848
8	G	H	-0.4523
9	A	H	0.1813
11	E	H	0.2343
12	V	H	1.0428
13	K	H	-0.7113
14	K	H	-1.7020
15	P	H	-1.8768
16	G	H	-1.4719
17	S	H	-1.1608
18	S	H	-0.7177
19	V	H	0.0000
20	M	H	0.4773
21	V	H	0.0000
22	S	H	0.1890
23	C	H	0.0000
24	Q	H	-0.3271
25	A	H	0.0000
26	S	H	-0.7872
27	G	H	-1.2046
28	G	H	-0.8586
29	L	H	-0.3900
30	L	H	0.0000
35	E	H	-0.9111
36	D	H	0.1248
37	Y	H	0.2988
38	I	H	0.0000
39	I	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5712
45	A	H	-0.9466
46	P	H	-1.0442
47	G	H	-1.2070
48	Q	H	-1.7308
49	G	H	-1.0658
50	P	H	0.0000
51	E	H	-0.7868
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	I	H	0.0000
58	P	H	-0.1157
59	V	H	1.2545
62	L	H	0.5105
63	G	H	0.2897
64	T	H	0.3942
65	V	H	0.8995
66	H	H	0.4077
67	Y	H	-0.2487
68	G	H	0.0000
69	P	H	-1.5948
70	K	H	-2.2385
71	F	H	0.0000
72	Q	H	-2.0274
74	G	H	-1.4652
75	R	H	-1.3125
76	V	H	0.0000
77	T	H	-0.2290
78	I	H	0.0000
79	T	H	-0.1332
80	A	H	-0.8600
81	D	H	-1.4963
82	E	H	-2.3266
83	S	H	-1.2461
84	T	H	-0.9637
85	D	H	-1.2818
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	0.2065
89	M	H	0.0000
90	E	H	-0.0616
91	L	H	0.0000
92	S	H	-0.6806
93	S	H	-1.0441
94	L	H	0.0000
95	R	H	-2.8518
96	S	H	-2.2265
97	E	H	-2.5375
98	D	H	0.0000
99	T	H	-0.7318
100	A	H	0.0000
101	M	H	0.3629
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	T	H	0.0000
107	E	H	0.0000
108	T	H	0.4017
109	A	H	0.0000
110	L	H	2.2617
111	V	H	2.7703
111A	V	H	1.5995
111B	S	H	-0.1172
111C	E	H	-1.6099
112C	T	H	-0.6432
112B	Y	H	0.1864
112A	L	H	0.3284
112	P	H	0.0000
113	H	H	0.1939
114	Y	H	0.3412
115	F	H	0.0000
116	D	H	-0.4998
117	N	H	-0.9567
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.1025
121	G	H	-0.4259
122	T	H	0.0000
123	L	H	0.8903
124	V	H	0.0000
125	T	H	-0.0630
126	V	H	0.0000
127	S	H	-0.7115
128	S	H	-0.6157
1	D	L	-2.3025
2	I	L	0.0000
3	Q	L	-2.0001
4	M	L	0.0000
5	T	L	-1.1363
6	Q	L	-0.8077
7	S	L	-0.7413
8	P	L	-0.6577
9	S	L	-0.8959
10	S	L	-1.1798
11	L	L	-0.8749
12	S	L	-1.1092
13	A	L	0.0000
14	A	L	-0.7059
15	V	L	0.2919
16	G	L	-0.5247
17	D	L	-1.6361
18	R	L	-2.2922
19	V	L	0.0000
20	T	L	-0.6246
21	I	L	0.0000
22	T	L	-0.7683
23	C	L	0.0000
24	Q	L	-2.2488
25	A	L	0.0000
26	S	L	-1.9087
27	Q	L	-2.1040
28	D	L	-2.0681
29	I	L	0.0000
36	V	L	0.8553
37	N	L	0.3316
38	Y	L	0.7147
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8265
44	Q	L	-1.3079
45	K	L	-1.7654
46	P	L	-1.1985
47	G	L	-1.6590
48	K	L	-2.5303
49	A	L	-1.5751
50	P	L	0.0000
51	K	L	-1.3120
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.6315
56	V	L	0.8932
57	A	L	0.0000
65	S	L	-0.3093
66	N	L	-0.3775
67	L	L	0.0637
68	E	L	-0.3397
69	T	L	-0.3704
70	G	L	-0.4573
71	V	L	-0.2700
72	P	L	-0.3423
74	S	L	-0.4299
75	R	L	-0.7551
76	F	L	0.0000
77	S	L	-0.4133
78	G	L	0.0000
79	S	L	-0.7505
80	G	L	-0.8500
83	S	L	-0.6718
84	G	L	-0.8980
85	T	L	-1.8241
86	D	L	-2.3758
87	F	L	0.0000
88	S	L	-0.7570
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.4161
93	S	L	-1.1761
94	L	L	0.0000
95	Q	L	-0.7657
96	P	L	-0.9338
97	E	L	-1.5724
98	D	L	0.0000
99	V	L	-0.4243
100	A	L	0.0000
101	T	L	-1.0946
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	Y	L	0.0000
108	D	L	-0.8034
109	N	L	-1.1411
114	L	L	-0.3467
115	P	L	0.0000
116	L	L	0.0000
117	T	L	-0.7550
118	F	L	-0.2550
119	G	L	0.0000
120	G	L	-1.1137
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.0826
124	V	L	0.0000
125	E	L	-1.5788
126	I	L	-0.7171
127	K	L	-1.5032