Project name: Trimbodies

Chain sequence(s)	E: VQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYERSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTLVAVVKTVEDAFLALLALEQHLGVQPADLAALAEKLNLSQLLELGELLKAAGHPLAPQVEALLKEKLKAASAAEAAGVIFQALVKDEELGKKILEWAKEFGTEEAKKAIEIAEKAYELYKKY; D: VQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYERSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTLVAVVKTVEDAFLALLALEQHLGVQPADLAALAEKLNLSQLLELGELLKAAGHPLAPQVEALLKEKLKAASAAEAAGVIFQALVKDEELGKKILEWAKEFGTEEAKKAIEIAEKAYELYKKY; F: VQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYERSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTLVAVVKTVEDAFLALLALEQHLGVQPADLAALAEKLNLSQLLELGELLKAAGHPLAPQVEALLKEKLKAASAAEAAGVIFQALVKDEELGKKILEWAKEFGTEEAKKAIEIAEKAYELYKKY
Selected Chain(s)	D,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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:38)

• Minimal score value: -3.7433
• Maximal score value: 1.0711
• Average score: -1.0642
• Total score value: -734.2993

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
4	V	D	0.7073
5	Q	D	-0.4825
6	L	D	0.0000
7	V	D	0.1831
8	E	D	0.0000
9	S	D	-0.4541
10	G	D	-0.6748
11	G	D	-0.3784
12	A	D	-0.2193
13	L	D	-0.4163
14	V	D	-0.9634
15	Q	D	-2.1338
16	P	D	-1.9286
17	G	D	-1.3119
18	G	D	-1.0245
19	S	D	-0.9038
20	L	D	-0.6416
21	R	D	-1.2384
22	L	D	0.0000
23	S	D	-0.3277
24	C	D	0.0000
25	A	D	-0.4475
26	A	D	0.0000
27	S	D	-0.5329
28	G	D	-0.2681
29	F	D	0.0000
30	P	D	-1.0450
31	V	D	0.0000
32	N	D	-2.0020
33	R	D	-2.1005
34	Y	D	-0.9218
35	S	D	-0.8030
36	M	D	0.0000
37	R	D	-0.5373
38	W	D	0.0000
39	Y	D	-0.3526
40	R	D	0.0000
41	Q	D	-1.6827
42	A	D	-1.5118
43	P	D	-1.3439
44	G	D	-1.6961
45	K	D	-2.9482
46	E	D	-3.1869
47	R	D	-2.2304
48	E	D	-1.4337
49	W	D	-0.3853
50	V	D	0.0000
51	A	D	0.0000
52	G	D	0.0000
53	M	D	0.0000
54	S	D	-1.6414
55	S	D	-1.4310
56	A	D	-1.5197
57	G	D	-2.0634
58	D	D	-2.8395
59	R	D	-2.9197
60	S	D	-1.6555
61	S	D	-1.2113
62	Y	D	-1.2415
63	E	D	-1.7707
64	R	D	-2.6974
65	S	D	-1.9384
66	V	D	0.0000
67	K	D	-2.7427
68	G	D	-1.8107
69	R	D	-1.3378
70	F	D	0.0000
71	T	D	-0.7860
72	I	D	0.0000
73	S	D	-0.6566
74	R	D	-1.5675
75	D	D	-2.5182
76	D	D	-3.2449
77	A	D	-2.1529
78	R	D	-2.7869
79	N	D	-2.2442
80	T	D	0.0000
81	V	D	0.0000
82	Y	D	-0.5391
83	L	D	0.0000
84	Q	D	-0.8715
85	M	D	0.0000
86	N	D	-1.2713
87	S	D	-1.2068
88	L	D	0.0000
89	K	D	-2.3438
90	P	D	-2.1649
91	E	D	-2.2343
92	D	D	0.0000
93	T	D	0.0000
94	A	D	0.0000
95	V	D	0.0000
96	Y	D	0.0000
97	Y	D	-0.1163
98	C	D	0.0000
99	N	D	0.0000
100	V	D	0.0000
101	N	D	-0.8500
102	V	D	-0.0363
103	G	D	0.0838
104	F	D	1.0711
105	E	D	-0.2522
106	Y	D	0.3033
107	W	D	-0.0411
108	G	D	-0.3490
109	Q	D	-0.8843
110	G	D	0.0000
111	T	D	0.0000
112	L	D	0.2162
113	V	D	0.0000
114	A	D	0.0000
115	V	D	0.0000
116	V	D	0.0000
117	K	D	-2.7128
118	T	D	-1.7743
119	V	D	0.0000
120	E	D	-2.0835
121	D	D	-1.6297
122	A	D	0.0000
123	F	D	-0.0434
124	L	D	-0.2938
125	A	D	0.0000
126	L	D	0.0000
127	L	D	-0.2281
128	A	D	0.0000
129	L	D	0.0000
130	E	D	-1.5538
131	Q	D	-1.1310
132	H	D	0.0000
133	L	D	0.7088
134	G	D	-0.4115
135	V	D	-0.6190
136	Q	D	-1.1386
137	P	D	-0.9334
138	A	D	-0.5895
139	D	D	-0.8275
140	L	D	0.0000
141	A	D	-0.9053
142	A	D	-1.0464
143	L	D	0.0000
144	A	D	0.0000
145	E	D	-2.6393
146	K	D	-2.8551
147	L	D	0.0000
148	N	D	-2.0453
149	L	D	-1.2948
150	S	D	-1.1043
151	Q	D	-1.5626
152	L	D	0.0000
153	L	D	-1.2186
154	E	D	-2.2030
155	L	D	0.0000
156	G	D	0.0000
157	E	D	-2.5627
158	L	D	-1.4119
159	L	D	0.0000
160	K	D	-2.5304
161	A	D	-1.1866
162	A	D	-0.8871
163	G	D	-1.2853
164	H	D	-0.7603
165	P	D	-0.8123
166	L	D	-0.8454
167	A	D	0.0000
168	P	D	-1.1576
169	Q	D	-1.2569
170	V	D	0.0000
171	E	D	-1.7866
172	A	D	-1.3609
173	L	D	-1.4109
174	L	D	0.0000
175	K	D	-2.1231
176	E	D	-2.7934
177	K	D	-2.0713
178	L	D	0.0000
179	K	D	-2.3604
180	A	D	-1.3487
181	A	D	-1.3683
182	S	D	-1.2945
183	A	D	-1.7339
184	A	D	-0.9944
185	E	D	-1.7124
186	A	D	0.0000
187	A	D	0.0000
188	G	D	-0.8175
189	V	D	0.0000
190	I	D	0.0000
191	F	D	-0.6511
192	Q	D	-1.2524
193	A	D	0.0000
194	L	D	0.0000
195	V	D	-1.1885
196	K	D	-2.5762
197	D	D	-3.2494
198	E	D	-3.5339
199	E	D	-3.7248
200	L	D	0.0000
201	G	D	0.0000
202	K	D	-3.5984
203	K	D	-3.0378
204	I	D	0.0000
205	L	D	-2.5392
206	E	D	-3.2368
207	W	D	0.0000
208	A	D	0.0000
209	K	D	-3.5510
210	E	D	-3.2694
211	F	D	-2.6442
212	G	D	-2.2208
213	T	D	-2.4193
214	E	D	-3.1441
215	E	D	-2.6497
216	A	D	0.0000
217	K	D	-3.4800
218	K	D	-3.0250
219	A	D	0.0000
220	I	D	-2.6148
221	E	D	-2.9658
222	I	D	-1.5306
223	A	D	0.0000
224	E	D	-2.6910
225	K	D	-2.6697
226	A	D	-1.5845
227	Y	D	-1.7055
228	E	D	-2.9301
229	L	D	-1.2587
230	Y	D	-0.6364
231	K	D	-2.0415
232	K	D	-1.8808
233	Y	D	0.0779
4	V	E	0.7159
5	Q	E	-0.4922
6	L	E	0.0000
7	V	E	0.1265
8	E	E	0.0000
9	S	E	-0.4754
10	G	E	-0.6964
11	G	E	-0.3929
12	A	E	-0.2298
13	L	E	-0.3738
14	V	E	-0.9389
15	Q	E	-2.1127
16	P	E	-1.9488
17	G	E	-1.3282
18	G	E	-1.0601
19	S	E	-0.9315
20	L	E	-0.6821
21	R	E	-1.3151
22	L	E	0.0000
23	S	E	-0.3519
24	C	E	0.0000
25	A	E	-0.4615
26	A	E	0.0000
27	S	E	-0.5519
28	G	E	-0.2686
29	F	E	0.0000
30	P	E	-1.0976
31	V	E	0.0000
32	N	E	-2.2143
33	R	E	-2.2116
34	Y	E	-0.9905
35	S	E	-0.8481
36	M	E	0.0000
37	R	E	-0.5488
38	W	E	0.0000
39	Y	E	-0.5246
40	R	E	0.0000
41	Q	E	-1.9664
42	A	E	-1.6996
43	P	E	-1.4492
44	G	E	-1.8004
45	K	E	-3.2200
46	E	E	-3.4281
47	R	E	-2.5722
48	E	E	-1.8273
49	W	E	-0.5230
50	V	E	0.0000
51	A	E	0.0000
52	G	E	0.0000
53	M	E	0.0000
54	S	E	-1.6873
55	S	E	-1.5072
56	A	E	-1.6038
57	G	E	-2.1639
58	D	E	-2.8716
59	R	E	-2.9365
60	S	E	-1.6626
61	S	E	-1.1917
62	Y	E	-1.1918
63	E	E	-1.7134
64	R	E	-2.6465
65	S	E	-1.8877
66	V	E	0.0000
67	K	E	-2.7112
68	G	E	-1.7909
69	R	E	-1.3162
70	F	E	0.0000
71	T	E	-0.7860
72	I	E	0.0000
73	S	E	-0.6425
74	R	E	-1.5680
75	D	E	-2.5175
76	D	E	-3.2734
77	A	E	-2.1634
78	R	E	-2.7770
79	N	E	-2.2645
80	T	E	0.0000
81	V	E	0.0000
82	Y	E	-0.5471
83	L	E	0.0000
84	Q	E	-0.8912
85	M	E	0.0000
86	N	E	-1.2538
87	S	E	-1.1961
88	L	E	0.0000
89	K	E	-2.3295
90	P	E	-2.1722
91	E	E	-2.2323
92	D	E	0.0000
93	T	E	0.0000
94	A	E	0.0000
95	V	E	0.0000
96	Y	E	0.0000
97	Y	E	0.0000
98	C	E	0.0000
99	N	E	0.0000
100	V	E	0.0000
101	N	E	-0.8586
102	V	E	-0.0392
103	G	E	0.0799
104	F	E	1.0632
105	E	E	-0.2673
106	Y	E	0.2916
107	W	E	-0.0819
108	G	E	-0.3981
109	Q	E	-0.9193
110	G	E	0.0000
111	T	E	0.0000
112	L	E	0.1938
113	V	E	0.0000
114	A	E	0.0000
115	V	E	0.0000
116	V	E	0.0000
117	K	E	-2.6613
118	T	E	-1.7502
119	V	E	0.0000
120	E	E	-2.0840
121	D	E	-1.6510
122	A	E	0.0000
123	F	E	-0.0598
124	L	E	-0.2809
125	A	E	0.0000
126	L	E	0.0000
127	L	E	-0.2647
128	A	E	0.0000
129	L	E	0.0000
130	E	E	-1.4521
131	Q	E	-1.4317
132	H	E	0.0000
133	L	E	0.6780
134	G	E	-0.3997
135	V	E	-0.5905
136	Q	E	-1.1075
137	P	E	-0.9385
138	A	E	-0.5970
139	D	E	-0.8408
140	L	E	0.0000
141	A	E	-0.8711
142	A	E	-0.9778
143	L	E	0.0000
144	A	E	0.0000
145	E	E	-2.4917
146	K	E	-2.5529
147	L	E	0.0000
148	N	E	-2.0296
149	L	E	-1.2901
150	S	E	-1.0745
151	Q	E	-1.5404
152	L	E	0.0000
153	L	E	-1.1331
154	E	E	-2.0934
155	L	E	0.0000
156	G	E	0.0000
157	E	E	-2.3878
158	L	E	-1.3113
159	L	E	0.0000
160	K	E	-2.4560
161	A	E	-1.1461
162	A	E	-0.8638
163	G	E	-1.2683
164	H	E	-0.7628
165	P	E	-0.8094
166	L	E	-0.7810
167	A	E	0.0000
168	P	E	-1.0905
169	Q	E	-1.1930
170	V	E	0.0000
171	E	E	-1.6061
172	A	E	-1.2866
173	L	E	-1.3559
174	L	E	0.0000
175	K	E	-2.0853
176	E	E	-2.7500
177	K	E	-2.0085
178	L	E	0.0000
179	K	E	-2.3266
180	A	E	-1.3403
181	A	E	-1.3715
182	S	E	-1.3457
183	A	E	-1.8341
184	A	E	-1.0312
185	E	E	-1.6884
186	A	E	0.0000
187	A	E	0.0000
188	G	E	-0.8002
189	V	E	0.0000
190	I	E	0.0000
191	F	E	-0.6391
192	Q	E	-1.1197
193	A	E	0.0000
194	L	E	0.0000
195	V	E	-1.1384
196	K	E	-2.5230
197	D	E	-3.1961
198	E	E	-3.5197
199	E	E	-3.7433
200	L	E	0.0000
201	G	E	0.0000
202	K	E	-3.7029
203	K	E	-3.2225
204	I	E	0.0000
205	L	E	-2.7334
206	E	E	-3.5149
207	W	E	0.0000
208	A	E	0.0000
209	K	E	-3.6562
210	E	E	-3.3155
211	F	E	-2.6868
212	G	E	-2.2305
213	T	E	-2.4674
214	E	E	-3.2576
215	E	E	-2.9059
216	A	E	0.0000
217	K	E	-3.5066
218	K	E	-3.1713
219	A	E	0.0000
220	I	E	0.0000
221	E	E	-3.0884
222	I	E	-1.6511
223	A	E	0.0000
224	E	E	-2.8824
225	K	E	-2.6774
226	A	E	-1.5954
227	Y	E	-1.6884
228	E	E	-2.9019
229	L	E	-1.1831
230	Y	E	-0.5996
231	K	E	-2.0141
232	K	E	-1.8533
233	Y	E	0.0965
4	V	F	1.0085
5	Q	F	-0.3472
6	L	F	0.0000
7	V	F	0.1534
8	E	F	0.0000
9	S	F	-0.4696
10	G	F	-0.6936
11	G	F	-0.3908
12	A	F	-0.2085
13	L	F	-0.4035
14	V	F	-0.9632
15	Q	F	-2.1248
16	P	F	-1.9496
17	G	F	-1.3733
18	G	F	-1.1148
19	S	F	-1.0889
20	L	F	-0.7871
21	R	F	-1.3918
22	L	F	0.0000
23	S	F	-0.3522
24	C	F	0.0000
25	A	F	-0.4573
26	A	F	0.0000
27	S	F	-0.4244
28	G	F	-0.1170
29	F	F	0.0000
30	P	F	-0.9328
31	V	F	0.0000
32	N	F	-2.0094
33	R	F	-2.1022
34	Y	F	-0.9331
35	S	F	-0.8227
36	M	F	0.0000
37	R	F	-0.5382
38	W	F	0.0000
39	Y	F	-0.5555
40	R	F	0.0000
41	Q	F	-2.0899
42	A	F	0.0000
43	P	F	-1.4726
44	G	F	-1.8094
45	K	F	-3.2603
46	E	F	-3.4656
47	R	F	-2.5879
48	E	F	-2.0344
49	W	F	-0.6629
50	V	F	0.0000
51	A	F	0.0000
52	G	F	0.0000
53	M	F	0.0000
54	S	F	-1.6626
55	S	F	-1.4590
56	A	F	-1.5592
57	G	F	-2.1305
58	D	F	-2.8708
59	R	F	-2.9375
60	S	F	-1.6705
61	S	F	-1.2188
62	Y	F	-1.2595
63	E	F	-1.8490
64	R	F	-2.7036
65	S	F	-1.9432
66	V	F	0.0000
67	K	F	-2.7523
68	G	F	-1.8843
69	R	F	-1.5202
70	F	F	0.0000
71	T	F	-0.8851
72	I	F	0.0000
73	S	F	-0.6738
74	R	F	-1.5845
75	D	F	-2.5724
76	D	F	-3.2023
77	A	F	-2.1349
78	R	F	-2.7883
79	N	F	-2.2239
80	T	F	0.0000
81	V	F	0.0000
82	Y	F	-0.5721
83	L	F	0.0000
84	Q	F	-1.0557
85	M	F	0.0000
86	N	F	-1.7383
87	S	F	-1.3700
88	L	F	0.0000
89	K	F	-2.3524
90	P	F	-2.1542
91	E	F	-2.2258
92	D	F	0.0000
93	T	F	0.0000
94	A	F	0.0000
95	V	F	0.0000
96	Y	F	0.0000
97	Y	F	-0.2014
98	C	F	0.0000
99	N	F	0.0000
100	V	F	0.0000
101	N	F	-0.9049
102	V	F	-0.0543
103	G	F	0.0425
104	F	F	1.0163
105	E	F	-0.3413
106	Y	F	0.2568
107	W	F	-0.0832
108	G	F	-0.3617
109	Q	F	-0.8653
110	G	F	0.0000
111	T	F	0.0000
112	L	F	0.1941
113	V	F	0.0000
114	A	F	0.0000
115	V	F	0.0000
116	V	F	0.0000
117	K	F	-2.7217
118	T	F	-1.7979
119	V	F	0.0000
120	E	F	-2.0910
121	D	F	-1.6459
122	A	F	0.0000
123	F	F	-0.0661
124	L	F	-0.2805
125	A	F	0.0000
126	L	F	0.0000
127	L	F	-0.2665
128	A	F	0.0000
129	L	F	0.0000
130	E	F	-1.4939
131	Q	F	-1.4624
132	H	F	0.0000
133	L	F	0.6388
134	G	F	-0.4533
135	V	F	-0.6197
136	Q	F	-1.2068
137	P	F	-0.9547
138	A	F	-0.5586
139	D	F	-0.7167
140	L	F	0.0000
141	A	F	-0.8819
142	A	F	-1.0006
143	L	F	0.0000
144	A	F	0.0000
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