Project name: 7a4dfc78bfce13

Chain sequence(s)	E: KINNDIRDLILERMKQVFKFPEDFYKLPGIDFTDEEYKAFVNGGIDIEKMGAARVNACLDVLFDDFELAMIGKAQTNYYNDNNLKMNMKFYEYYNLFVKEQLLKWIKENYKDVIGGTGRAYTASGNYIANAYLTVALSSSSLGSGSYMLQFRLKDHSSGQEPIPSGRQNRQDWIVNNLDKIT; F: KINNDIRDLILERMKQVFKFPEDFYKLPGIDFTDEEYKAFVNGGIDIEKMGAARVNACLDVLFDDFELAMIGKAQTNYYNDNNLKMNMKFYEYYNLFVKEQLLKWIKENYKDVIGGTGRAYTASGNYIANAYLTVALSSSSLGSGSYMLQFRLKDHSSGQEPIPSGRQNRQDWIVNNLDKIT
Selected Chain(s)	E,F
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                                          (00:06:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:24)

• Minimal score value: -3.9163
• Maximal score value: 1.1988
• Average score: -1.0759
• Total score value: -391.6114

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	E	-2.1438
2	I	E	-1.6316
3	N	E	-1.9663
4	N	E	-2.2270
5	D	E	-1.6957
6	I	E	0.0000
7	R	E	-1.3243
8	D	E	-1.3503
9	L	E	0.0000
10	I	E	0.0000
11	L	E	-0.9112
12	E	E	-1.9729
13	R	E	0.0000
14	M	E	0.0000
15	K	E	-2.3221
16	Q	E	-2.0287
17	V	E	-1.1078
18	F	E	0.0000
19	K	E	-1.3804
20	F	E	0.4631
21	P	E	-0.7594
22	E	E	-1.5435
23	D	E	-0.7159
24	F	E	0.0000
25	Y	E	0.0000
26	K	E	-2.6643
27	L	E	0.0000
28	P	E	-1.2894
29	G	E	-1.2063
30	I	E	0.0000
31	D	E	-2.7727
32	F	E	-2.4225
33	T	E	-2.5443
34	D	E	-3.3732
35	E	E	-3.2862
36	E	E	-2.7881
37	Y	E	-2.5373
38	K	E	-2.8753
39	A	E	-2.1386
40	F	E	0.0000
41	V	E	-0.6623
42	N	E	-1.4994
43	G	E	-1.4433
44	G	E	-1.2254
45	I	E	-1.3371
46	D	E	-2.1318
47	I	E	0.0000
48	E	E	-2.5481
49	K	E	-2.6706
50	M	E	-1.7454
51	G	E	-1.9436
52	A	E	0.0000
53	A	E	0.0000
54	R	E	-1.4433
55	V	E	0.0000
56	N	E	-1.0122
57	A	E	-1.0902
58	C	E	0.0000
59	L	E	0.0000
60	D	E	-1.2549
61	V	E	0.1304
62	L	E	0.0000
63	F	E	0.0000
64	D	E	-0.4990
65	D	E	-0.4712
66	F	E	0.0000
67	E	E	0.0000
68	L	E	-0.0034
69	A	E	0.0000
70	M	E	0.0000
71	I	E	0.0000
72	G	E	-0.8107
73	K	E	-0.4991
74	A	E	0.0000
75	Q	E	0.0000
76	T	E	-1.2605
77	N	E	-1.8617
78	Y	E	0.0000
79	Y	E	-1.4851
80	N	E	-2.3889
81	D	E	-2.4742
82	N	E	-2.7537
83	N	E	-2.4091
84	L	E	-2.2578
85	K	E	-2.3848
86	M	E	-1.0665
87	N	E	-1.8924
88	M	E	-1.6238
89	K	E	-2.2938
90	F	E	0.0000
91	Y	E	-1.2841
92	E	E	-1.7688
93	Y	E	-1.0758
94	Y	E	0.0000
95	N	E	-0.9692
96	L	E	-0.3171
97	F	E	-0.7267
98	V	E	0.0000
99	K	E	-1.4492
100	E	E	-1.9716
101	Q	E	-1.2626
102	L	E	0.0000
103	L	E	-1.3003
104	K	E	-2.1001
105	W	E	0.0000
106	I	E	-1.7057
107	K	E	-2.7415
108	E	E	-3.0888
109	N	E	-2.2124
110	Y	E	-1.5863
111	K	E	-2.3710
112	D	E	0.0000
113	V	E	0.0000
114	I	E	-0.8828
115	G	E	-0.5074
116	G	E	0.0000
117	T	E	-0.8641
118	G	E	-1.1134
119	R	E	-1.0429
120	A	E	0.0000
121	Y	E	1.1988
122	T	E	0.0000
123	A	E	-1.0472
124	S	E	-0.8544
125	G	E	-0.6829
126	N	E	-0.6326
127	Y	E	0.6892
128	I	E	0.1934
129	A	E	-0.4879
130	N	E	-1.4587
131	A	E	0.0000
132	Y	E	-0.9557
133	L	E	0.0000
134	T	E	-0.5263
135	V	E	0.0000
136	A	E	0.0000
137	L	E	0.0000
138	S	E	-0.3634
139	S	E	-0.5542
140	S	E	0.0000
141	S	E	-0.0604
142	L	E	0.1282
143	G	E	-0.2832
144	S	E	-0.4632
145	G	E	-0.5580
146	S	E	-0.2230
147	Y	E	0.0237
148	M	E	0.0000
149	L	E	0.0875
150	Q	E	-0.2254
151	F	E	0.0000
152	R	E	-0.5367
153	L	E	0.0000
154	K	E	-1.4235
155	D	E	-2.1319
156	H	E	-2.4136
157	S	E	-2.1400
158	S	E	-1.6040
159	G	E	-1.8360
160	Q	E	-2.2742
161	E	E	-2.3413
162	P	E	-1.3154
163	I	E	-0.9243
164	P	E	-1.3217
165	S	E	-1.2707
166	G	E	-2.0517
167	R	E	-3.4610
168	Q	E	-3.5159
169	N	E	-3.1129
170	R	E	-2.6648
171	Q	E	-2.5207
172	D	E	-2.8173
173	W	E	0.0000
174	I	E	0.0000
175	V	E	-0.9706
176	N	E	-1.8826
177	N	E	0.0000
178	L	E	-1.2292
179	D	E	-2.4788
180	K	E	-2.5118
181	I	E	0.0000
182	T	E	-1.5794
1	K	F	-2.1681
2	I	F	-1.5851
3	N	F	-1.9454
4	N	F	-2.2093
5	D	F	-1.6399
6	I	F	0.0000
7	R	F	-1.2748
8	D	F	-1.3399
9	L	F	0.0000
10	I	F	0.0000
11	L	F	-0.8735
12	E	F	-1.8509
13	R	F	0.0000
14	M	F	0.0000
15	K	F	-2.3166
16	Q	F	-2.0469
17	V	F	-1.1044
18	F	F	0.0000
19	K	F	-1.3893
20	F	F	0.4617
21	P	F	-0.8371
22	E	F	-1.6642
23	D	F	-0.7055
24	F	F	0.0000
25	Y	F	0.0000
26	K	F	-2.7370
27	L	F	0.0000
28	P	F	-1.2894
29	G	F	-1.2042
30	I	F	0.0000
31	D	F	-2.8295
32	F	F	-2.5533
33	T	F	-2.8028
34	D	F	-3.9163
35	E	F	-3.5361
36	E	F	-2.9126
37	Y	F	0.0000
38	K	F	-3.0463
39	A	F	-2.2320
40	F	F	0.0000
41	V	F	-0.6689
42	N	F	-1.5421
43	G	F	-1.4661
44	G	F	-1.2424
45	I	F	-1.3624
46	D	F	-2.1943
47	I	F	0.0000
48	E	F	-2.5145
49	K	F	-2.6693
50	M	F	-1.7880
51	G	F	-1.9321
52	A	F	0.0000
53	A	F	-1.5077
54	R	F	-1.4785
55	V	F	0.0000
56	N	F	-0.9662
57	A	F	-1.0866
58	C	F	0.0000
59	L	F	0.0000
60	D	F	-1.1752
61	V	F	0.1955
62	L	F	0.0000
63	F	F	0.0000
64	D	F	-0.5220
65	D	F	-0.5350
66	F	F	0.0000
67	E	F	0.0000
68	L	F	-0.0385
69	A	F	0.0000
70	M	F	0.0000
71	I	F	0.0000
72	G	F	-0.7227
73	K	F	-0.4975
74	A	F	0.0000
75	Q	F	0.0000
76	T	F	-0.9667
77	N	F	-1.2759
78	Y	F	0.0000
79	Y	F	-1.3044
80	N	F	-2.2181
81	D	F	-2.3573
82	N	F	-2.7106
83	N	F	-2.4292
84	L	F	-2.1399
85	K	F	-2.3056
86	M	F	-1.0586
87	N	F	-1.8452
88	M	F	-1.4808
89	K	F	-2.0046
90	F	F	0.0000
91	Y	F	-1.1061
92	E	F	-1.5003
93	Y	F	-0.8911
94	Y	F	0.0000
95	N	F	-0.9556
96	L	F	-0.4594
97	F	F	-0.7320
98	V	F	0.0000
99	K	F	-1.6259
100	E	F	-2.0989
101	Q	F	-1.3694
102	L	F	0.0000
103	L	F	-1.3672
104	K	F	-2.2216
105	W	F	0.0000
106	I	F	-1.7179
107	K	F	-2.7645
108	E	F	-3.0886
109	N	F	-2.1658
110	Y	F	-1.5674
111	K	F	-2.3441
112	D	F	0.0000
113	V	F	0.0000
114	I	F	-0.8191
115	G	F	-0.4741
116	G	F	0.0000
117	T	F	-0.8517
118	G	F	-1.0845
119	R	F	-1.0109
120	A	F	0.0000
121	Y	F	1.1691
122	T	F	0.0000
123	A	F	-1.0493
124	S	F	-0.8630
125	G	F	-0.7058
126	N	F	-0.6858
127	Y	F	0.5869
128	I	F	0.1579
129	A	F	-0.4987
130	N	F	-1.4535
131	A	F	0.0000
132	Y	F	-0.9420
133	L	F	0.0000
134	T	F	-0.3845
135	V	F	0.0000
136	A	F	0.0000
137	L	F	0.0000
138	S	F	-0.3173
139	S	F	-0.5742
140	S	F	0.0000
141	S	F	-0.0355
142	L	F	0.0996
143	G	F	-0.2645
144	S	F	-0.4553
145	G	F	-0.5452
146	S	F	-0.2143
147	Y	F	0.0218
148	M	F	0.0000
149	L	F	0.0764
150	Q	F	-0.2374
151	F	F	0.0000
152	R	F	-0.5311
153	L	F	0.0000
154	K	F	-1.4343
155	D	F	-2.1371
156	H	F	-2.4274
157	S	F	-2.1392
158	S	F	-1.5998
159	G	F	-1.8161
160	Q	F	-2.2433
161	E	F	-2.2836
162	P	F	-1.2855
163	I	F	-0.9148
164	P	F	-1.3206
165	S	F	-1.2793
166	G	F	-2.0653
167	R	F	-3.4613
168	Q	F	-3.5229
169	N	F	-3.1319
170	R	F	-2.6604
171	Q	F	-2.5148
172	D	F	-2.8322
173	W	F	0.0000
174	I	F	0.0000
175	V	F	-0.9613
176	N	F	-1.8847
177	N	F	0.0000
178	L	F	-1.2360
179	D	F	-2.5040
180	K	F	-2.5464
181	I	F	0.0000
182	T	F	-1.6309