Project name: 6CR1

Chain sequence(s)	H: EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIK
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.8036
• Maximal score value: 1.9215
• Average score: -0.6713
• Total score value: -153.0581

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	-2.1309
2	V	H	-1.1665
3	Q	H	-1.2293
4	L	H	0.0000
5	V	H	1.0366
6	E	H	0.3944
7	S	H	-0.1648
8	G	H	-0.4435
9	G	H	0.1735
11	G	H	0.8413
12	L	H	1.5252
13	V	H	-0.1169
14	Q	H	-1.2032
15	P	H	-1.8253
16	G	H	-2.0648
17	R	H	-2.5957
18	S	H	-1.6338
19	L	H	-0.8848
20	R	H	-1.2347
21	L	H	0.0000
22	S	H	-0.2054
23	C	H	0.0000
24	A	H	-0.1793
25	A	H	0.0000
26	S	H	-1.0872
27	G	H	-1.3488
28	F	H	-0.8449
29	T	H	-0.8530
30	F	H	0.0000
35	D	H	-2.2790
36	D	H	-0.9928
37	Y	H	0.1485
38	A	H	0.0000
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	-0.7048
45	A	H	-1.0858
46	P	H	-0.8543
47	G	H	-1.5288
48	K	H	-2.3441
49	G	H	-1.5899
50	L	H	0.0000
51	E	H	-1.0074
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	A	H	0.0000
56	I	H	0.0000
57	T	H	0.0000
58	W	H	-1.0343
59	N	H	-2.0036
62	S	H	-1.1970
63	G	H	-1.1127
64	H	H	-0.9548
65	I	H	0.3562
66	D	H	-0.5702
67	Y	H	-0.8099
68	A	H	0.0000
69	D	H	-2.6527
70	S	H	-1.7185
71	V	H	0.0000
72	E	H	-2.6602
74	G	H	-1.7339
75	R	H	-1.3793
76	F	H	0.0000
77	T	H	-0.6159
78	I	H	0.0000
79	S	H	-0.1440
80	R	H	-1.1404
81	D	H	-1.6590
82	N	H	-2.1586
83	A	H	-1.5126
84	K	H	-2.4759
85	N	H	-2.1822
86	S	H	-1.2088
87	L	H	0.0000
88	Y	H	-0.3282
89	L	H	0.0000
90	Q	H	-0.7838
91	M	H	0.0000
92	N	H	-1.6233
93	S	H	-1.6747
94	L	H	0.0000
95	R	H	-2.3801
96	A	H	-1.5909
97	E	H	-2.2211
98	D	H	0.0000
99	T	H	-0.4016
100	A	H	0.0000
101	V	H	0.5120
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	V	H	0.0000
108	S	H	0.0000
109	Y	H	1.9215
110	L	H	1.8947
111	S	H	0.8579
112A	T	H	0.0902
112	A	H	-0.2264
113	S	H	0.3124
114	S	H	0.0000
115	L	H	0.0000
116	D	H	0.2044
117	Y	H	0.3828
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.1886
121	G	H	-0.3646
122	T	H	0.4329
123	L	H	1.3572
124	V	H	0.0000
125	T	H	0.3943
126	V	H	0.0000
127	S	H	-0.4488
128	S	H	-0.3104
1	D	L	-2.3709
2	I	L	-2.0254
3	Q	L	-2.1869
4	M	L	0.0000
5	T	L	-1.4016
6	Q	L	0.0000
7	S	L	-0.7327
8	P	L	-0.5949
9	S	L	-1.0015
10	S	L	-1.3162
11	L	L	-1.0357
12	S	L	-1.4036
13	A	L	-1.1626
14	S	L	-0.8331
15	V	L	0.0044
16	G	L	-0.6518
17	D	L	-1.7461
18	R	L	-2.3049
19	V	L	0.0000
20	T	L	-0.6506
21	I	L	0.0000
22	T	L	-0.8111
23	C	L	0.0000
24	R	L	-2.8036
25	A	L	0.0000
26	S	L	-1.9876
27	Q	L	-2.4962
28	G	L	-2.1119
29	I	L	0.0000
36	R	L	-2.5955
37	N	L	-1.6112
38	Y	L	-0.8567
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8308
44	Q	L	0.0000
45	K	L	-1.8066
46	P	L	-1.2693
47	G	L	-1.7132
48	K	L	-2.4976
49	A	L	-1.4955
50	P	L	0.0000
51	K	L	-1.0428
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1688
56	A	L	-0.2887
57	A	L	0.0000
65	S	L	-0.2878
66	T	L	0.0273
67	L	L	0.2969
68	Q	L	-0.2134
69	S	L	-0.3681
70	G	L	-0.5026
71	V	L	-0.3128
72	P	L	-0.3671
74	S	L	-0.4410
75	R	L	-0.8434
76	F	L	0.0000
77	S	L	-0.3471
78	G	L	-0.2590
79	S	L	-0.7026
80	G	L	-1.3703
83	S	L	-1.7598
84	G	L	-2.1249
85	T	L	-2.2725
86	D	L	-2.4539
87	F	L	0.0000
88	T	L	-0.7390
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.4511
93	S	L	-1.1965
94	L	L	0.0000
95	Q	L	-0.7491
96	P	L	-1.1933
97	E	L	-1.7938
98	D	L	0.0000
99	V	L	-1.1994
100	A	L	0.0000
101	T	L	-1.3264
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	R	L	0.0000
107	Y	L	0.0000
108	N	L	-1.4650
109	R	L	-2.0129
114	A	L	-1.1425
115	P	L	-1.4213
116	Y	L	0.0000
117	T	L	-0.9359
118	F	L	-0.4244
119	G	L	0.0000
120	Q	L	-1.7767
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.3672
124	V	L	0.0000
125	E	L	-2.0710
126	I	L	-1.1090
127	K	L	-1.6872