Project name: e7899ac435993e6

Chain sequence(s)	E: KINNDIRDLILERMKQVFKFPEDFYKLPGIDFTDEEYKAFVNGGIDIEKMGAARVNACLDVLFDDFELAMIGKAQTNYYNDNNLKMNMKFYEYYNLFVKEQLLKWIKENYKDVIGGTGRAYTASGNYIANAYLTVALSSSSLGSGSYMLQFRLKDHSSGQEPIPSGRQNRQDWIVNNLDKIT; F: KINNDIRDLILERMKQVFKFPEDFYKLPGIDFTDEEYKAFVNGGIDIEKMGAARVNACLDVLFDDFELAMIGKAQTNYYNDNNLKMNMKFYEYYNLFVKEQLLKWIKENYKDVIGGTGRAYTASGNYIANAYLTVALSSSSLGSGSYMLQFRLKDHSSGQEPIPSGRQNRQDWIVNNLDKIT
Selected Chain(s)	E,F
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -3.5774
• Maximal score value: 1.2055
• Average score: -1.0119
• Total score value: -368.325

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	-2.2710
2	I	E	0.0000
3	N	E	-2.0825
4	N	E	-2.3089
5	D	E	-1.8298
6	I	E	0.0000
7	R	E	-1.3340
8	D	E	-1.3879
9	L	E	0.0000
10	I	E	0.0000
11	L	E	0.0000
12	E	E	-1.4257
13	R	E	0.0000
14	M	E	0.0000
15	K	E	-2.1995
16	Q	E	-1.8953
17	V	E	0.0000
18	F	E	0.0000
19	K	E	-1.4606
20	F	E	0.3362
21	P	E	-0.8830
22	E	E	-1.6548
23	D	E	-0.6982
24	F	E	0.0000
25	Y	E	0.0000
26	K	E	-2.1359
27	L	E	0.0000
28	P	E	-1.1413
29	G	E	-1.0962
30	I	E	0.0000
31	D	E	-2.5810
32	F	E	-2.2564
33	T	E	-2.4401
34	D	E	-3.2862
35	E	E	-3.2181
36	E	E	-2.7534
37	Y	E	-2.4019
38	K	E	-2.6074
39	A	E	-2.0263
40	F	E	0.0000
41	V	E	-0.7186
42	N	E	-1.4758
43	G	E	-1.4179
44	G	E	-1.1861
45	I	E	-1.2870
46	D	E	-2.0222
47	I	E	0.0000
48	E	E	-2.5783
49	K	E	-2.6747
50	M	E	-1.7645
51	G	E	-1.9591
52	A	E	0.0000
53	A	E	-1.5498
54	R	E	-1.5180
55	V	E	0.0000
56	N	E	-1.0374
57	A	E	-1.0459
58	C	E	0.0000
59	L	E	0.0000
60	D	E	-1.0204
61	V	E	0.2847
62	L	E	0.0000
63	F	E	0.0000
64	D	E	-0.4911
65	D	E	-0.5063
66	F	E	0.0000
67	E	E	0.0000
68	L	E	-0.0164
69	A	E	0.0000
70	M	E	0.0000
71	I	E	0.0000
72	G	E	-0.7903
73	K	E	-0.4079
74	A	E	0.0000
75	Q	E	0.0000
76	T	E	-0.9721
77	N	E	-1.3337
78	Y	E	0.0000
79	Y	E	-1.2858
80	N	E	-2.2605
81	D	E	-2.5253
82	N	E	-2.8604
83	N	E	-2.5541
84	L	E	-2.3676
85	K	E	-2.6783
86	M	E	-1.2506
87	N	E	-1.9969
88	M	E	-1.7015
89	K	E	-2.3484
90	F	E	0.0000
91	Y	E	-1.1065
92	E	E	-1.5733
93	Y	E	0.0000
94	Y	E	0.0000
95	N	E	-0.9932
96	L	E	-0.3274
97	F	E	0.0000
98	V	E	0.0000
99	K	E	-1.3101
100	E	E	-1.9065
101	Q	E	-1.2096
102	L	E	0.0000
103	L	E	-1.1155
104	K	E	-1.9772
105	W	E	0.0000
106	I	E	-1.5723
107	K	E	-2.6475
108	E	E	-3.0128
109	N	E	-2.1041
110	Y	E	-1.4339
111	K	E	-2.3625
112	D	E	-1.3364
113	V	E	0.0000
114	I	E	-0.9285
115	G	E	-0.5173
116	G	E	0.0000
117	T	E	-0.8388
118	G	E	-1.1035
119	R	E	-1.0521
120	A	E	0.0000
121	Y	E	1.2048
122	T	E	0.0000
123	A	E	-0.8964
124	S	E	-0.7909
125	G	E	-0.6707
126	N	E	-0.6115
127	Y	E	0.7282
128	I	E	0.1853
129	A	E	-0.4761
130	N	E	-1.4727
131	A	E	0.0000
132	Y	E	-0.9124
133	L	E	0.0000
134	T	E	-0.4906
135	V	E	0.0000
136	A	E	0.0000
137	L	E	0.0000
138	S	E	-0.3983
139	S	E	-0.5582
140	S	E	0.0000
141	S	E	0.0021
142	L	E	0.2504
143	G	E	-0.2208
144	S	E	-0.4336
145	G	E	-0.5307
146	S	E	-0.1810
147	Y	E	0.0677
148	M	E	0.0000
149	L	E	0.0925
150	Q	E	-0.2287
151	F	E	0.0000
152	R	E	-0.4786
153	L	E	0.0000
154	K	E	-1.2284
155	D	E	-2.0112
156	H	E	-2.3245
157	S	E	0.0000
158	S	E	-1.5890
159	G	E	-1.8327
160	Q	E	-2.2710
161	E	E	-2.3395
162	P	E	-1.3131
163	I	E	-0.9354
164	P	E	-1.3789
165	S	E	-1.3878
166	G	E	-2.2427
167	R	E	-3.5646
168	Q	E	-3.5771
169	N	E	-3.2811
170	R	E	-2.7044
171	Q	E	0.0000
172	D	E	-2.6323
173	W	E	0.0000
174	I	E	0.0000
175	V	E	-0.8143
176	N	E	-1.7880
177	N	E	0.0000
178	L	E	-1.1316
179	D	E	-2.4015
180	K	E	-2.3973
181	I	E	0.0000
182	T	E	-1.4389
1	K	F	-2.2584
2	I	F	0.0000
3	N	F	-2.0628
4	N	F	-2.2874
5	D	F	-1.8361
6	I	F	0.0000
7	R	F	-1.2957
8	D	F	-1.4350
9	L	F	0.0000
10	I	F	0.0000
11	L	F	0.0000
12	E	F	-1.4150
13	R	F	0.0000
14	M	F	0.0000
15	K	F	-2.2080
16	Q	F	-1.9116
17	V	F	0.0000
18	F	F	0.0000
19	K	F	-1.4664
20	F	F	0.3337
21	P	F	-0.8869
22	E	F	-1.6572
23	D	F	-0.7025
24	F	F	0.0000
25	Y	F	0.0000
26	K	F	-2.1303
27	L	F	0.0000
28	P	F	-1.1459
29	G	F	-1.1273
30	I	F	0.0000
31	D	F	-2.5809
32	F	F	-2.2516
33	T	F	-2.4302
34	D	F	-3.2770
35	E	F	-3.2162
36	E	F	-2.7619
37	Y	F	-2.4013
38	K	F	-2.6069
39	A	F	-2.0301
40	F	F	0.0000
41	V	F	-0.7009
42	N	F	-1.5275
43	G	F	-1.4074
44	G	F	-1.1900
45	I	F	-1.2917
46	D	F	-2.0060
47	I	F	0.0000
48	E	F	-2.5424
49	K	F	-2.6589
50	M	F	-1.7673
51	G	F	-1.9762
52	A	F	0.0000
53	A	F	-1.6066
54	R	F	-1.5694
55	V	F	0.0000
56	N	F	-1.0640
57	A	F	-1.1472
58	C	F	0.0000
59	L	F	0.0000
60	D	F	-1.2041
61	V	F	0.2005
62	L	F	0.0000
63	F	F	0.0000
64	D	F	-0.5197
65	D	F	-0.5409
66	F	F	0.0000
67	E	F	0.0000
68	L	F	-0.0228
69	A	F	0.0000
70	M	F	0.0000
71	I	F	0.0000
72	G	F	-0.7663
73	K	F	-0.5689
74	A	F	0.0000
75	Q	F	0.0000
76	T	F	-0.9919
77	N	F	-1.3129
78	Y	F	0.0000
79	Y	F	-1.2989
80	N	F	-2.2595
81	D	F	-2.4840
82	N	F	-2.7775
83	N	F	-2.4809
84	L	F	-2.2612
85	K	F	-2.4346
86	M	F	-1.1312
87	N	F	-1.9257
88	M	F	-1.6432
89	K	F	-2.3079
90	F	F	0.0000
91	Y	F	-1.1577
92	E	F	-1.6173
93	Y	F	0.0000
94	Y	F	0.0000
95	N	F	-1.0308
96	L	F	-0.3523
97	F	F	0.0000
98	V	F	0.0000
99	K	F	-1.3264
100	E	F	-1.9160
101	Q	F	-1.2159
102	L	F	0.0000
103	L	F	-1.1217
104	K	F	-1.9858
105	W	F	0.0000
106	I	F	-1.5720
107	K	F	-2.6503
108	E	F	-3.0131
109	N	F	-2.1101
110	Y	F	-1.4285
111	K	F	-2.3576
112	D	F	-1.3349
113	V	F	0.0000
114	I	F	-0.8742
115	G	F	-0.4906
116	G	F	0.0000
117	T	F	-0.8420
118	G	F	-1.1033
119	R	F	-1.0513
120	A	F	0.0000
121	Y	F	1.2055
122	T	F	0.0000
123	A	F	-0.8976
124	S	F	-0.7897
125	G	F	-0.6705
126	N	F	-0.6117
127	Y	F	0.7280
128	I	F	0.1867
129	A	F	-0.4759
130	N	F	-1.4742
131	A	F	0.0000
132	Y	F	-0.9170
133	L	F	0.0000
134	T	F	-0.3524
135	V	F	0.0000
136	A	F	0.0000
137	L	F	0.0000
138	S	F	-0.3785
139	S	F	-0.6060
140	S	F	0.0000
141	S	F	0.0104
142	L	F	0.2580
143	G	F	-0.2136
144	S	F	-0.4306
145	G	F	-0.5210
146	S	F	-0.1754
147	Y	F	0.0717
148	M	F	0.0000
149	L	F	0.0904
150	Q	F	-0.2260
151	F	F	0.0000
152	R	F	-0.4781
153	L	F	0.0000
154	K	F	-1.2406
155	D	F	-2.0263
156	H	F	-2.3330
157	S	F	0.0000
158	S	F	-1.5921
159	G	F	-1.8349
160	Q	F	-2.2716
161	E	F	-2.3427
162	P	F	-1.3163
163	I	F	-0.9427
164	P	F	-1.3823
165	S	F	-1.3874
166	G	F	-2.2396
167	R	F	-3.5588
168	Q	F	-3.5774
169	N	F	-3.2858
170	R	F	-2.7010
171	Q	F	0.0000
172	D	F	-2.6509
173	W	F	0.0000
174	I	F	0.0000
175	V	F	-0.8175
176	N	F	-1.7930
177	N	F	0.0000
178	L	F	-1.1344
179	D	F	-2.4034
180	K	F	-2.4001
181	I	F	0.0000
182	T	F	-1.4460