Project name: IL2.YW

Chain sequence(s)	A: APTSSSTKKTQLQLEHLLLDLQMILNGINNYKNPKLTRMLTFKFYMPKKATELKHLQCLEEELKPLEEVLNLAQSKNFHLRPRDLISNINVIVLELKGSETTFMCEYADETATIVEFLNRWITFCQSIISTLT
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	Used: no changes made
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:12)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:12)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:12)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:12)
[INFO]       PDB:      Running AlphaCutter                                                         (00:00:12)
[INFO]       PDB:      AlphaCutter did not cut any residues. The original structure will be used   
                       for analysis.                                                               (00:00:47)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:48)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:05:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:57)

• Minimal score value: -2.1684
• Maximal score value: 1.7505
• Average score: -0.3918
• Total score value: -52.1036

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	A	A	0.0122
2	P	A	-0.2572
3	T	A	-0.1554
4	S	A	-0.2638
5	S	A	-0.2733
6	S	A	-0.1659
7	T	A	-0.2690
8	K	A	-1.5661
9	K	A	-1.9279
10	T	A	-0.3588
11	Q	A	-0.1437
12	L	A	0.4427
13	Q	A	-0.1346
14	L	A	0.0000
15	E	A	-0.8438
16	H	A	-1.1098
17	L	A	0.0000
18	L	A	0.4462
19	L	A	1.5397
20	D	A	0.0658
21	L	A	0.0000
22	Q	A	-0.3824
23	M	A	0.4816
24	I	A	0.0000
25	L	A	-0.0940
26	N	A	-1.2507
27	G	A	-0.2926
28	I	A	0.0000
29	N	A	-1.5021
30	N	A	-1.5021
31	Y	A	0.0000
32	K	A	-1.7573
33	N	A	-0.6699
34	P	A	-0.4973
35	K	A	-1.0540
36	L	A	0.0137
37	T	A	-0.3611
38	R	A	-1.8567
39	M	A	0.0000
40	L	A	0.6492
41	T	A	0.2022
42	F	A	0.5217
43	K	A	-1.5438
44	F	A	0.0000
45	Y	A	0.8316
46	M	A	0.0000
47	P	A	0.0000
48	K	A	-1.7537
49	K	A	-1.9594
50	A	A	-0.3078
51	T	A	-0.3146
52	E	A	-1.3367
53	L	A	-0.1922
54	K	A	-1.0284
55	H	A	-0.3016
56	L	A	0.0000
57	Q	A	-0.1646
58	C	A	0.0000
59	L	A	0.0000
60	E	A	-0.5573
61	E	A	-1.3597
62	E	A	-0.4316
63	L	A	0.0000
64	K	A	-1.7090
65	P	A	-0.3532
66	L	A	0.0000
67	E	A	-0.7296
68	E	A	-1.8923
69	V	A	0.0000
70	L	A	0.0000
71	N	A	-0.1632
72	L	A	0.3283
73	A	A	0.0000
74	Q	A	-0.3892
75	S	A	-0.4738
76	K	A	-1.9424
77	N	A	-1.5735
78	F	A	0.0000
79	H	A	-0.9901
80	L	A	0.0000
81	R	A	-1.3212
82	P	A	0.0000
83	R	A	-2.1684
84	D	A	-2.0957
85	L	A	-0.1683
86	I	A	0.0000
87	S	A	-0.3213
88	N	A	-0.8530
89	I	A	0.0000
90	N	A	-0.0143
91	V	A	1.7505
92	I	A	0.5261
93	V	A	0.0000
94	L	A	0.6812
95	E	A	-1.6377
96	L	A	0.0000
97	K	A	-0.3970
98	G	A	-0.2846
99	S	A	-0.5781
100	E	A	-1.8711
101	T	A	-0.4117
102	T	A	-0.0144
103	F	A	0.5583
104	M	A	1.1390
105	C	A	-0.0499
106	E	A	-1.7467
107	Y	A	-0.0198
108	A	A	-0.4412
109	D	A	-2.1160
110	E	A	-2.1468
111	T	A	-0.3555
112	A	A	0.0000
113	T	A	-0.0318
114	I	A	0.0000
115	V	A	0.3823
116	E	A	-0.9185
117	F	A	0.0000
118	L	A	0.0000
119	N	A	-0.7928
120	R	A	-1.1074
121	W	A	0.0000
122	I	A	0.0000
123	T	A	-0.0652
124	F	A	0.0000
125	C	A	0.0000
126	Q	A	-0.9438
127	S	A	-0.2791
128	I	A	0.0000
129	I	A	0.2096
130	S	A	-0.1811
131	T	A	-0.0021
132	L	A	0.5712
133	T	A	0.0350