Project name: P2C11

Chain sequence(s)	H: QVQLQQPGAEFLKPGASVKLSCKASGYTFTNYWMHWVKQRPGRGLEWIGRIDPDNGETNYNEKFKTRATLTVDNPSSTAYMQLSSLTSDDSAVYYCARRAYYSRNALDYWGQGTSVTVSA; L: VLTQSPLSLPVTLGQPASISCRSSQSLVFSDGNTYLHWFQQRPGQPPRRLIYQVSNRDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQALQVHSTFGPGTTVDIK
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -3.2913
• Maximal score value: 1.4117
• Average score: -0.5447
• Total score value: -125.2771

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	-1.3893
2	V	H	-0.8949
3	Q	H	-1.4317
4	L	H	0.0000
5	Q	H	-1.6942
6	Q	H	-1.1684
7	P	H	-0.8907
8	G	H	-0.8820
9	A	H	-0.0302
11	E	H	0.2275
12	F	H	1.3701
13	L	H	-0.0291
14	K	H	-1.5522
15	P	H	-1.3948
16	G	H	-1.1403
17	A	H	-0.9349
18	S	H	-1.0656
19	V	H	0.0000
20	K	H	-1.2767
21	L	H	0.0000
22	S	H	-0.5669
23	C	H	0.0000
24	K	H	-1.3373
25	A	H	0.0000
26	S	H	-1.0252
27	G	H	-0.9555
28	Y	H	-0.5202
29	T	H	-0.4589
30	F	H	0.0000
35	T	H	-1.5297
36	N	H	-1.4113
37	Y	H	-0.2573
38	W	H	-0.3228
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	-1.0760
45	R	H	-1.7675
46	P	H	-1.2846
47	G	H	-1.6568
48	R	H	-2.5322
49	G	H	-1.4462
50	L	H	0.0000
51	E	H	-1.2826
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.3240
56	I	H	0.0000
57	D	H	-1.5940
58	P	H	0.0000
59	D	H	-2.9666
62	N	H	-2.5056
63	G	H	-1.8068
64	E	H	-1.8120
65	T	H	-1.0990
66	N	H	-0.8306
67	Y	H	-1.1869
68	N	H	0.0000
69	E	H	-3.2913
70	K	H	-3.1750
71	F	H	0.0000
72	K	H	-3.0453
74	T	H	-1.7964
75	R	H	-1.5698
76	A	H	0.0000
77	T	H	-0.8276
78	L	H	0.0000
79	T	H	-0.3063
80	V	H	-0.5312
81	D	H	-0.9492
82	N	H	-1.3703
83	P	H	-0.7321
84	S	H	-0.6962
85	S	H	-0.7310
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1722
89	M	H	0.0000
90	Q	H	-1.0754
91	L	H	0.0000
92	S	H	-0.8877
93	S	H	-0.8705
94	L	H	0.0000
95	T	H	-1.2548
96	S	H	-1.4116
97	D	H	-2.0080
98	D	H	0.0000
99	S	H	-0.6440
100	A	H	0.0000
101	V	H	-0.0333
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	0.0930
108	A	H	0.3428
109	Y	H	0.9938
110	Y	H	1.3736
111	S	H	0.2627
112	R	H	-0.3853
113	N	H	0.0000
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.2243
117	Y	H	0.0774
118	W	H	-0.3002
119	G	H	0.0000
120	Q	H	-1.3524
121	G	H	0.0000
122	T	H	0.0000
123	S	H	-0.1289
124	V	H	0.0000
125	T	H	0.0627
126	V	H	0.0000
127	S	H	-0.3277
128	A	H	-0.3564
3	V	L	1.2301
4	L	L	0.0000
5	T	L	-0.2197
6	Q	L	0.0000
7	S	L	0.0064
8	P	L	0.4840
9	L	L	1.4117
10	S	L	0.5440
11	L	L	0.1953
12	P	L	-0.3162
13	V	L	0.0000
14	T	L	-0.8213
15	L	L	-0.4060
16	G	L	-1.2142
17	Q	L	-1.8023
18	P	L	-1.7607
19	A	L	0.0000
20	S	L	-0.7108
21	I	L	0.0000
22	S	L	-0.7430
23	C	L	0.0000
24	R	L	-1.9661
25	S	L	-1.0336
26	S	L	-0.7076
27	Q	L	-1.1434
28	S	L	-0.6241
29	L	L	0.0000
30	V	L	0.7908
31	F	L	0.5457
32	S	L	-0.5091
34	D	L	-1.7217
35	G	L	-0.9342
36	N	L	-0.5939
37	T	L	0.0744
38	Y	L	0.0000
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.7120
45	R	L	-1.4316
46	P	L	-0.9038
47	G	L	-1.1701
48	Q	L	-1.3685
49	P	L	-0.8890
50	P	L	0.0000
51	R	L	-0.8057
52	R	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.5964
56	Q	L	-0.4918
57	V	L	-0.5358
65	S	L	-0.7476
66	N	L	-1.1911
67	R	L	-1.6259
68	D	L	-1.1276
69	S	L	-0.7852
70	G	L	-0.8893
71	V	L	-1.0029
72	P	L	-1.1754
74	D	L	-2.2241
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.2909
78	G	L	0.0000
79	S	L	-0.8536
80	G	L	-1.0025
83	S	L	-0.7052
84	G	L	-0.6102
85	T	L	-1.4024
86	D	L	-1.8419
87	F	L	0.0000
88	T	L	-0.9696
89	L	L	0.0000
90	K	L	-1.6636
91	I	L	0.0000
92	S	L	-2.1422
93	R	L	-2.8755
94	V	L	0.0000
95	E	L	-1.9994
96	A	L	-0.9042
97	E	L	-2.0640
98	D	L	0.0000
99	V	L	-0.0482
100	G	L	0.0000
101	V	L	0.4315
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	M	L	0.0000
106	Q	L	0.0000
107	A	L	0.0000
108	L	L	0.5838
109	Q	L	0.1656
114	V	L	1.1791
115	H	L	-0.0870
116	S	L	0.0000
117	T	L	0.2571
118	F	L	0.0000
119	G	L	0.0000
120	P	L	-0.1160
121	G	L	0.0000
122	T	L	0.0000
123	T	L	0.5306
124	V	L	0.0000
125	D	L	-0.0122
126	I	L	0.0573
127	K	L	-1.2919