Project name: 1R24

Chain sequence(s)	H: DVQLVESGGGLVQPGGSRKLSCAASGFTFSNFGMHWVRQAPEKGLEWVAYISSGGSSINYADTVKGRFTISRDNPKNTLFLQMTSLRSEDTAIYYCTRGGTGTRSLYYFDYWGQGATLIVSS; L: DIQMTQITSSLSVSLGDRVIISCRASQDIGNFLNWYQQKPDGSLKLLIYYTSRLQSGVPSRFSGWGSGTDYSLTISNLEEEDIATFFCQQGKTLPYTFGGGTKLEIK
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.0966
• Maximal score value: 1.5377
• Average score: -0.5957
• Total score value: -136.4234

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	D	H	-2.0677
2	V	H	-1.2070
3	Q	H	-1.1816
4	L	H	0.0000
5	V	H	1.1548
6	E	H	0.0000
7	S	H	-0.2211
8	G	H	-0.7085
9	G	H	-0.1468
11	G	H	0.6473
12	L	H	1.3078
13	V	H	0.0000
14	Q	H	-1.3725
15	P	H	-1.5122
16	G	H	-1.3750
17	G	H	-1.1930
18	S	H	-1.4390
19	R	H	-1.5185
20	K	H	-1.9936
21	L	H	0.0000
22	S	H	-0.2386
23	C	H	0.0000
24	A	H	0.0222
25	A	H	0.0000
26	S	H	-0.7143
27	G	H	-1.1934
28	F	H	-0.6299
29	T	H	-0.4845
30	F	H	0.0000
35	S	H	-1.2569
36	N	H	-1.3432
37	F	H	-0.4863
38	G	H	-0.2380
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	-0.8944
45	A	H	-1.5139
46	P	H	-1.5651
47	E	H	-2.8503
48	K	H	-2.9153
49	G	H	-1.6749
50	L	H	0.0000
51	E	H	-0.9022
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	Y	H	0.0000
56	I	H	0.0000
57	S	H	-0.3591
58	S	H	-0.7560
59	G	H	-0.8959
62	G	H	-0.4679
63	S	H	-0.3056
64	S	H	-0.0398
65	I	H	0.6036
66	N	H	-0.1862
67	Y	H	-0.7722
68	A	H	0.0000
69	D	H	-2.5268
70	T	H	-1.7011
71	V	H	0.0000
72	K	H	-2.6537
74	G	H	-1.6587
75	R	H	-1.3983
76	F	H	0.0000
77	T	H	-0.8534
78	I	H	0.0000
79	S	H	-0.2966
80	R	H	-0.9238
81	D	H	-1.4345
82	N	H	-1.7327
83	P	H	-1.5238
84	K	H	-2.3179
85	N	H	-1.6369
86	T	H	-0.8568
87	L	H	0.0000
88	F	H	-0.4022
89	L	H	0.0000
90	Q	H	-1.7749
91	M	H	0.0000
92	T	H	-1.1629
93	S	H	-1.0930
94	L	H	0.0000
95	R	H	-2.2838
96	S	H	-1.8511
97	E	H	-2.2752
98	D	H	0.0000
99	T	H	-0.3711
100	A	H	0.0000
101	I	H	0.4997
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	R	H	0.0000
107	G	H	-0.0582
108	G	H	0.0000
109	T	H	-0.7128
110	G	H	-0.7091
111	T	H	-0.9295
111A	R	H	-1.9675
112A	S	H	-1.2374
112	L	H	0.0000
113	Y	H	-0.1411
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	-0.1572
117	Y	H	0.0050
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.1131
121	G	H	0.0000
122	A	H	0.0000
123	T	H	0.3707
124	L	H	0.0000
125	I	H	0.7185
126	V	H	0.0000
127	S	H	-0.6663
128	S	H	-0.5325
1	D	L	-2.1343
2	I	L	0.0000
3	Q	L	-2.2052
4	M	L	0.0000
5	T	L	-0.5913
6	Q	L	0.1094
7	I	L	1.5216
8	T	L	0.6283
9	S	L	-0.0905
10	S	L	-0.4754
11	L	L	-0.1026
12	S	L	-0.6398
13	V	L	0.0000
14	S	L	-0.8420
15	L	L	-0.5221
16	G	L	-1.5041
17	D	L	-1.7186
18	R	L	-1.9779
19	V	L	0.0000
20	I	L	1.5377
21	I	L	0.0000
22	S	L	0.3802
23	C	L	0.0000
24	R	L	-2.1712
25	A	L	0.0000
26	S	L	-2.1756
27	Q	L	-3.0678
28	D	L	-3.0966
29	I	L	0.0000
36	G	L	-1.4553
37	N	L	-0.8507
38	F	L	-0.5499
39	L	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	0.0000
45	K	L	-1.4199
46	P	L	-1.3097
47	D	L	-2.2214
48	G	L	-1.4274
49	S	L	-1.3393
50	L	L	0.0000
51	K	L	-0.8362
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0298
56	Y	L	0.0357
57	T	L	0.0000
65	S	L	-0.1099
66	R	L	-0.7043
67	L	L	-0.1748
68	Q	L	-0.4477
69	S	L	-0.4735
70	G	L	-0.4655
71	V	L	-0.2082
72	P	L	-0.2766
74	S	L	-0.3242
75	R	L	-0.9940
76	F	L	0.0000
77	S	L	0.2006
78	G	L	0.0000
79	W	L	0.6963
80	G	L	-0.3366
83	S	L	-0.9790
84	G	L	-1.7573
85	T	L	-2.1526
86	D	L	-1.9072
87	Y	L	0.0000
88	S	L	0.2913
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	S	L	-1.3875
93	N	L	-2.1691
94	L	L	0.0000
95	E	L	-2.6530
96	E	L	-2.8566
97	E	L	-2.9835
98	D	L	0.0000
99	I	L	-1.1391
100	A	L	0.0000
101	T	L	-0.6116
102	F	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	G	L	0.0000
108	K	L	-1.7253
109	T	L	-0.6542
114	L	L	0.0193
115	P	L	-0.6556
116	Y	L	0.0000
117	T	L	-0.8577
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.1131
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.1262
124	L	L	0.0000
125	E	L	-1.0413
126	I	L	0.4182
127	K	L	-1.0371