Project name: 6db67e3c2353277

Chain sequence(s)	C: KKVVLGKKGDTVELTCTASQKKSIQFHWKNSNQIKILGNQGSFLTKGPSKLNDRADSRRSLWDQGNFPLIIKNLKIEDSDTYICEVEDQKEEVQLLVFGLTANSDTHLLQGQSLTLTLESPPGSSPSVQCRSPRGKNIQGGKTLSVSQLELQDSGTWTCTVLQNQKKVEFKIDIVVL
Selected Chain(s)	C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with C chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:31)

• Minimal score value: -3.9908
• Maximal score value: 1.8336
• Average score: -1.2422
• Total score value: -219.8636

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	K	C	-2.6115
2	K	C	-2.6734
3	V	C	-1.6266
4	V	C	-0.5783
5	L	C	-0.4319
6	G	C	0.0000
7	K	C	-2.2691
8	K	C	-3.1874
9	G	C	-2.8746
10	D	C	-3.0533
11	T	C	-2.1815
12	V	C	-1.0128
13	E	C	-1.0116
14	L	C	0.0000
15	T	C	-0.5885
16	C	C	0.0000
17	T	C	-1.3257
18	A	C	0.0000
19	S	C	-2.2406
20	Q	C	-2.7839
21	K	C	-3.8318
22	K	C	-3.9908
23	S	C	-2.8272
24	I	C	-2.2052
25	Q	C	-2.1735
26	F	C	0.0000
27	H	C	-1.5722
28	W	C	0.0000
29	K	C	-1.6898
30	N	C	0.0000
31	S	C	-1.5381
32	N	C	-2.0062
33	Q	C	-1.9535
34	I	C	-1.3462
35	K	C	-2.1682
36	I	C	0.0000
37	L	C	0.0000
38	G	C	0.0000
39	N	C	-0.8616
40	Q	C	-1.0289
41	G	C	-0.7849
42	S	C	-0.1686
43	F	C	1.1503
44	L	C	0.1238
45	T	C	-0.4517
46	K	C	-1.5018
47	G	C	-1.3451
48	P	C	-1.1381
49	S	C	0.0000
50	K	C	-2.4726
51	L	C	0.0000
52	N	C	-2.5851
53	D	C	-2.7774
54	R	C	-2.2938
55	A	C	0.0000
56	D	C	-1.7173
57	S	C	-1.3805
58	R	C	-2.0923
59	R	C	-2.3718
60	S	C	-1.7782
61	L	C	-1.8219
62	W	C	0.0000
63	D	C	-3.5493
64	Q	C	-3.5234
65	G	C	0.0000
66	N	C	-2.1121
67	F	C	0.0000
68	P	C	0.0000
69	L	C	0.0000
70	I	C	-0.9487
71	I	C	0.0000
72	K	C	-2.7760
73	N	C	-3.0709
74	L	C	0.0000
75	K	C	-2.5325
76	I	C	-1.6184
77	E	C	-1.8587
78	D	C	0.0000
79	S	C	-0.9029
80	D	C	-1.0652
81	T	C	-1.2165
82	Y	C	0.0000
83	I	C	-1.7768
84	C	C	0.0000
85	E	C	-2.6758
86	V	C	0.0000
87	E	C	-3.4132
88	D	C	-3.3264
89	Q	C	-3.1276
90	K	C	-3.4659
91	E	C	-2.6381
92	E	C	-2.8105
93	V	C	0.0000
94	Q	C	-1.5196
95	L	C	0.0000
96	L	C	0.0000
97	V	C	0.0000
98	F	C	0.0000
99	G	C	0.0000
100	L	C	0.0000
101	T	C	-0.6786
102	A	C	-1.1887
103	N	C	-1.7524
104	S	C	-1.8338
105	D	C	-2.3906
106	T	C	-1.7307
107	H	C	-0.8966
108	L	C	0.0000
109	L	C	0.7589
110	Q	C	-0.6988
111	G	C	-1.3172
112	Q	C	-1.3761
113	S	C	-1.0725
114	L	C	0.0000
115	T	C	-0.5383
116	L	C	0.0000
117	T	C	-1.1040
118	L	C	0.0000
119	E	C	-1.5889
120	S	C	-1.2367
121	P	C	0.0000
122	P	C	-0.6903
123	G	C	-0.7900
124	S	C	-0.6572
125	S	C	-0.8911
126	P	C	-1.1847
127	S	C	-1.1372
128	V	C	0.0000
129	Q	C	-1.6372
130	C	C	0.0000
131	R	C	-2.9945
132	S	C	0.0000
133	P	C	-2.2640
134	R	C	-2.9415
135	G	C	-2.4943
136	K	C	-2.9762
137	N	C	-2.4163
138	I	C	-1.3336
139	Q	C	-1.8612
140	G	C	-1.5028
141	G	C	-1.7570
142	K	C	-2.3931
143	T	C	-1.4698
144	L	C	0.0000
145	S	C	-0.5608
146	V	C	-0.5003
147	S	C	-0.9854
148	Q	C	-1.8035
149	L	C	0.0000
150	E	C	-0.4940
151	L	C	1.1678
152	Q	C	-0.6875
153	D	C	0.0000
154	S	C	-0.2282
155	G	C	-0.7276
156	T	C	-1.5675
157	W	C	0.0000
158	T	C	-1.9012
159	C	C	0.0000
160	T	C	-1.6288
161	V	C	0.0000
162	L	C	-1.7306
163	Q	C	-1.8816
164	N	C	-2.6453
165	Q	C	-2.8396
166	K	C	-2.8054
167	K	C	-2.9075
168	V	C	-1.7235
169	E	C	-2.2348
170	F	C	0.0000
171	K	C	-2.5204
172	I	C	-1.6266
173	D	C	-2.0317
174	I	C	0.0000
175	V	C	0.1832
176	V	C	0.0000
177	L	C	1.8336