Project name: 16599465c38641

Chain sequence(s)	H: QVQLVQSGGGVVQPGRSLRLSCKASGYTFTRYTMHWVRQAPGKGLEWIGYINPSRGYTNYNQKVKDRFTISRDNSKNTAFLQMDSLRPEDTGVYFCARYYDDHYCLDYWGQGTPVTVSS; L: DIQMTQSPSSLSASVGDRVTITCSASSSVSYMNWYQQTPGKAPKRWIYDTSKLASGVPSRFSGSGSGTDYTFTISSLQPEDIATYYCQQWSSNPFTFGQGTKLQIT
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -3.0038
• Maximal score value: 1.3689
• Average score: -0.6621
• Total score value: -148.9677

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	-1.4935
2	V	H	-0.8897
3	Q	H	-1.4050
4	L	H	0.0000
5	V	H	-0.0932
6	Q	H	0.0000
7	S	H	-0.6824
8	G	H	-0.6237
9	G	H	-0.3257
11	G	H	0.3803
12	V	H	1.3689
13	V	H	0.0000
14	Q	H	-1.2618
15	P	H	-1.7294
16	G	H	-2.1190
17	R	H	-2.6776
18	S	H	-1.7352
19	L	H	-0.9897
20	R	H	-1.2167
21	L	H	0.0000
22	S	H	-0.5316
23	C	H	0.0000
24	K	H	-1.5258
25	A	H	0.0000
26	S	H	-1.0338
27	G	H	-1.0444
28	Y	H	-0.6976
29	T	H	-0.6516
30	F	H	0.0000
35	T	H	-1.4212
36	R	H	-2.0263
37	Y	H	-1.0884
38	T	H	-0.6710
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	-0.7061
45	A	H	-1.1678
46	P	H	-0.9811
47	G	H	-1.4570
48	K	H	-2.3645
49	G	H	-1.6217
50	L	H	0.0000
51	E	H	-0.9415
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	0.0900
56	I	H	0.0000
57	N	H	-1.1131
58	P	H	0.0000
59	S	H	-1.6421
62	R	H	-2.0418
63	G	H	-1.2361
64	Y	H	-0.4072
65	T	H	-0.1970
66	N	H	-0.4768
67	Y	H	-1.2583
68	N	H	-2.0700
69	Q	H	-3.0038
70	K	H	-2.8883
71	V	H	0.0000
72	K	H	-2.7998
74	D	H	-2.9051
75	R	H	-1.8712
76	F	H	0.0000
77	T	H	-0.8655
78	I	H	0.0000
79	S	H	-0.2480
80	R	H	-1.0365
81	D	H	-1.5871
82	N	H	-1.6293
83	S	H	-1.5690
84	K	H	-2.5392
85	N	H	-2.0176
86	T	H	-1.4601
87	A	H	0.0000
88	F	H	-0.3341
89	L	H	0.0000
90	Q	H	-0.7461
91	M	H	0.0000
92	D	H	-1.9209
93	S	H	-1.8789
94	L	H	0.0000
95	R	H	-2.6798
96	P	H	-1.9597
97	E	H	-2.3823
98	D	H	0.0000
99	T	H	-0.7341
100	G	H	0.0000
101	V	H	0.1968
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	Y	H	0.0000
108	Y	H	-1.0394
109	D	H	-2.5470
110	D	H	-2.4711
112	H	H	-1.2520
113	Y	H	-0.1043
114	C	H	0.0000
115	L	H	0.0000
116	D	H	-0.0785
117	Y	H	0.2680
118	W	H	-0.2312
119	G	H	0.0000
120	Q	H	-1.3801
121	G	H	0.0000
122	T	H	0.0000
123	P	H	-0.1154
124	V	H	0.0000
125	T	H	-0.0110
126	V	H	0.0000
127	S	H	-0.3681
128	S	H	-0.4862
1	D	L	-2.5223
2	I	L	0.0000
3	Q	L	-1.8591
4	M	L	0.0000
5	T	L	-0.9061
6	Q	L	0.0000
7	S	L	-0.6093
8	P	L	-0.6425
9	S	L	-0.9394
10	S	L	-0.8900
11	L	L	-0.3911
12	S	L	-0.1939
13	A	L	-0.3550
14	S	L	-0.0998
15	V	L	0.5995
16	G	L	-0.6709
17	D	L	-1.6307
18	R	L	-2.2770
19	V	L	0.0000
20	T	L	-0.6311
21	I	L	0.0000
22	T	L	-0.4650
23	C	L	0.0000
24	S	L	-0.9916
25	A	L	0.0000
26	S	L	-1.1428
27	S	L	-0.9769
28	S	L	-0.6517
29	V	L	0.0000
37	S	L	-0.0747
38	Y	L	0.5067
39	M	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9566
45	T	L	-1.0813
46	P	L	-0.8861
47	G	L	-1.5513
48	K	L	-2.3851
49	A	L	-1.3838
50	P	L	0.0000
51	K	L	-1.0436
52	R	L	-0.4346
53	W	L	-0.3275
54	I	L	0.0000
55	Y	L	0.1004
56	D	L	0.0000
57	T	L	0.0000
65	S	L	-0.4845
66	K	L	-0.6857
67	L	L	-0.0528
68	A	L	0.0000
69	S	L	-0.4065
70	G	L	-0.4324
71	V	L	-0.2837
72	P	L	-0.2532
74	S	L	-0.3590
75	R	L	-0.7303
76	F	L	0.0000
77	S	L	-0.4046
78	G	L	-0.4097
79	S	L	-0.6917
80	G	L	-0.8453
83	S	L	-0.8098
84	G	L	-0.8136
85	T	L	-0.9949
86	D	L	-1.6123
87	Y	L	0.0000
88	T	L	-0.5640
89	F	L	0.0000
90	T	L	-0.5798
91	I	L	0.0000
92	S	L	-1.2421
93	S	L	-1.1829
94	L	L	0.0000
95	Q	L	-0.6940
96	P	L	-0.6972
97	E	L	-1.7025
98	D	L	0.0000
99	I	L	-0.0871
100	A	L	0.0000
101	T	L	-0.7621
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	W	L	0.1688
108	S	L	-0.1198
109	S	L	-0.9768
114	N	L	-1.6195
115	P	L	-1.5364
116	F	L	-0.6685
117	T	L	-0.8893
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.9506
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.5896
124	L	L	0.0000
125	Q	L	-0.2859
126	I	L	0.3209
127	T	L	0.1780