Project name: Bhishem Thakur

Chain sequence(s)	A: DTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCKLKGIAPLQLGKCNIAGWLLGNPECDLLLTASSWSYIVETSNSENGTCYPGDFIDYEELREQLSSVSSFEKFEIFPKTSSWPNHETTKGVTAACSYAGASSFYRNLLWLTKKGSSYPKLSKSYVNNKGKEVLVLWGVHHPPTGTDQQSLYQNADAYVSVGSSKYNRRFTPEIAARPKVRDQAGRMNYYWTLLEPGDTITFEATGNLIAPWYAFALNRGSGSGIITSDAPVHDCNTKCQTPHGAINSSLPFQNIHPVTIGECPKYVRSTKLRMATGLRNIPAR; C: DTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCKLKGIAPLQLGKCNIAGWLLGNPECDLLLTASSWSYIVETSNSENGTCYPGDFIDYEELREQLSSVSSFEKFEIFPKTSSWPNHETTKGVTAACSYAGASSFYRNLLWLTKKGSSYPKLSKSYVNNKGKEVLVLWGVHHPPTGTDQQSLYQNADAYVSVGSSKYNRRFTPEIAARPKVRDQAGRMNYYWTLLEPGDTITFEATGNLIAPWYAFALNRGSGSGIITSDAPVHDCNTKCQTPHGAINSSLPFQNIHPVTIGECPKYVRSTKLRMATGLRNIPAR; B: DTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCKLKGIAPLQLGKCNIAGWLLGNPECDLLLTASSWSYIVETSNSENGTCYPGDFIDYEELREQLSSVSSFEKFEIFPKTSSWPNHETTKGVTAACSYAGASSFYRNLLWLTKKGSSYPKLSKSYVNNKGKEVLVLWGVHHPPTGTDQQSLYQNADAYVSVGSSKYNRRFTPEIAARPKVRDQAGRMNYYWTLLEPGDTITFEATGNLIAPWYAFALNRGSGSGIITSDAPVHDCNTKCQTPHGAINSSLPFQNIHPVTIGECPKYVRSTKLRMATGLRNIPAR; E: GLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAIDGITNKVNSVIEKMNTQFTAVGKEFNNLERRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDFHDSNVRNLYEKVKSQLKNNAKEIGNGCFEFYHKCDDACMESVRNGTYDYP; D: GLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAIDGITNKVNSVIEKMNTQFTAVGKEFNNLERRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDFHDSNVRNLYEKVKSQLKNNAKEIGNGCFEFYHKCDDACMESVRNGTYDYP; F: GLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAIDGITNKVNSVIEKMNTQFTAVGKEFNNLERRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDFHDSNVRNLYEKVKSQLKNNAKEIGNGCFEFYHKCDDACMESVRNGTYDYP
Selected Chain(s)	A,C,B,E,D,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                                          (00:33:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:34:21)

• Minimal score value: -3.6654
• Maximal score value: 1.1964
• Average score: -0.7957
• Total score value: -1155.3885

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
5	D	C	-2.5404
6	T	C	-1.1426
7	I	C	0.0000
8	C	C	0.0000
9	I	C	0.0000
10	G	C	0.0000
11	Y	C	0.0000
12	H	C	-0.0138
13	A	C	0.0000
14	N	C	-1.0195
15	N	C	-1.7283
16	S	C	-1.1367
17	T	C	-0.9313
18	D	C	-1.2557
19	T	C	-1.4234
20	V	C	0.0000
21	D	C	-1.9914
22	T	C	0.0000
23	V	C	0.0000
24	L	C	-1.5149
25	E	C	-3.1759
26	K	C	-3.3518
27	N	C	-2.7142
28	V	C	0.0000
29	T	C	-1.2598
30	V	C	0.0000
31	T	C	0.0000
32	H	C	-0.8464
33	S	C	-0.3781
34	V	C	0.1616
35	N	C	-0.6255
36	L	C	0.0000
37	L	C	0.0000
38	E	C	-1.6821
39	D	C	-2.3501
40	S	C	-1.8177
41	H	C	-2.0211
42	N	C	-1.5596
44	G	C	-1.2503
45	K	C	-1.6662
46	L	C	0.0000
47	C	C	0.0000
48	K	C	-1.7536
49	L	C	0.0000
49A	K	C	-2.1436
50	G	C	-1.3107
51	I	C	0.1374
52	A	C	-0.5022
53	P	C	0.0225
54	L	C	0.0000
55	Q	C	-0.4451
56	L	C	0.0000
57	G	C	-1.7572
58	K	C	-3.0140
59	C	C	0.0000
60	N	C	-1.4000
61	I	C	0.0000
62	A	C	0.0000
63	G	C	0.0000
64	W	C	0.0000
65	L	C	0.0000
66	L	C	0.0000
67	G	C	0.0000
68	N	C	0.0000
69	P	C	0.0000
70	E	C	-1.4075
71	C	C	0.0000
72	D	C	-0.0125
73	L	C	1.1889
74	L	C	0.0000
75	L	C	0.6511
76	T	C	0.3113
77	A	C	-0.1064
78	S	C	-0.8043
79	S	C	-0.3930
80	W	C	0.0000
81	S	C	-0.2378
82	Y	C	0.0000
83	I	C	0.0000
84	V	C	0.0000
85	E	C	-1.3700
86	T	C	-1.9056
87	S	C	-1.8468
88	N	C	-2.8263
89	S	C	-2.5739
90	E	C	-2.9200
91	N	C	-2.1920
92	G	C	0.0000
93	T	C	-0.6330
94	C	C	0.0000
95	Y	C	0.0000
96	P	C	0.0000
97	G	C	-1.3104
98	D	C	-1.7916
99	F	C	-0.4308
100	I	C	-0.0263
101	D	C	-0.4016
102	Y	C	-0.2494
103	E	C	-0.8289
104	E	C	0.0000
105	L	C	0.0000
106	R	C	0.0000
107	E	C	-0.8780
108	Q	C	-0.5585
109	L	C	0.0000
110	S	C	-0.3475
111	S	C	-0.7061
112	V	C	0.0000
113	S	C	-0.6989
114	S	C	-0.9969
115	F	C	0.0000
116	E	C	-2.4212
117	K	C	-1.6533
118	F	C	-0.9186
119	E	C	-0.8283
120	I	C	0.0000
121	F	C	0.0000
122	P	C	-0.5307
123	K	C	-0.7720
124	T	C	-0.5595
125	S	C	-0.4685
126	S	C	-0.5707
127	W	C	0.0000
128	P	C	-1.2833
129	N	C	-2.1599
130	H	C	0.0000
131	E	C	-2.0325
132	T	C	-1.3271
132A	T	C	-1.0663
133	K	C	-1.4981
134	G	C	-0.2493
135	V	C	0.9495
136	T	C	0.5189
137	A	C	-0.2462
138	A	C	0.0000
139	C	C	0.0000
140	S	C	0.1669
141	Y	C	0.2310
142	A	C	-0.0128
143	G	C	-0.2216
144	A	C	0.1615
145	S	C	0.2286
146	S	C	0.3798
147	F	C	0.0000
148	Y	C	0.0000
149	R	C	-0.3792
150	N	C	0.0000
151	L	C	0.0000
152	L	C	0.0000
153	W	C	0.0000
154	L	C	0.0000
155	T	C	-1.0725
156	K	C	-1.8661
157	K	C	-2.2407
158	G	C	-1.5611
159	S	C	-1.2680
160	S	C	-1.6220
161	Y	C	0.0000
162	P	C	-1.6056
163	K	C	-1.9753
164	L	C	0.0000
165	S	C	-0.9894
166	K	C	-0.7071
167	S	C	-0.0903
168	Y	C	0.4869
169	V	C	0.6247
170	N	C	0.0000
171	N	C	-1.8818
172	K	C	-2.1419
173	G	C	-1.9740
174	K	C	-2.4115
175	E	C	-1.9458
176	V	C	0.0000
177	L	C	0.0000
178	V	C	0.0000
179	L	C	0.0000
180	W	C	0.0000
181	G	C	0.0000
182	V	C	0.0000
183	H	C	0.0000
184	H	C	0.0000
185	P	C	0.0000
186	P	C	-0.4974
187	T	C	-0.6726
188	G	C	-1.2095
189	T	C	-0.9379
190	D	C	-1.2351
191	Q	C	0.0000
192	Q	C	-1.7297
193	S	C	-1.0951
194	L	C	-0.7442
195	Y	C	0.0000
196	Q	C	-1.7599
197	N	C	-1.6049
198	A	C	-1.5910
199	D	C	-2.1106
200	A	C	0.0000
201	Y	C	-0.4921
202	V	C	0.0000
203	S	C	0.0000
204	V	C	0.0000
205	G	C	-1.2622
206	S	C	0.0000
207	S	C	-1.7798
208	K	C	-2.5487
209	Y	C	-1.6073
210	N	C	-2.4754
211	R	C	-2.2160
212	R	C	-1.5480
213	F	C	-0.4893
214	T	C	-0.6261
215	P	C	-0.9045
216	E	C	-1.8322
217	I	C	-0.5801
218	A	C	-0.5115
219	A	C	-0.4029
220	R	C	-0.8047
221	P	C	-1.3908
222	K	C	-2.6421
223	V	C	-1.8510
224	R	C	-2.8495
225	D	C	-3.1235
226	Q	C	-2.1231
227	A	C	-1.3869
228	G	C	0.0000
229	R	C	-0.8684
230	M	C	0.0000
231	N	C	-0.7224
232	Y	C	0.0000
233	Y	C	0.0000
234	W	C	0.2248
235	T	C	-0.3430
236	L	C	-0.6601
237	L	C	0.0000
238	E	C	-2.7078
239	P	C	-2.0363
240	G	C	-1.4785
241	D	C	-1.1887
242	T	C	-0.3662
243	I	C	0.0000
244	T	C	-0.2379
245	F	C	0.0000
246	E	C	-0.8098
247	A	C	0.0000
248	T	C	-1.0985
249	G	C	0.0000
250	N	C	0.0000
251	L	C	0.0000
252	I	C	0.0000
253	A	C	0.0000
254	P	C	0.0000
255	W	C	-0.1480
256	Y	C	-0.2846
257	A	C	0.0000
258	F	C	0.0000
259	A	C	0.0000
260	L	C	0.0000
261	N	C	-1.4394
262	R	C	-1.4202
263	G	C	-0.9201
264	S	C	-0.7653
265	G	C	-0.4288
266	S	C	-0.3767
267	G	C	0.0000
268	I	C	0.0480
269	I	C	0.0000
270	T	C	-0.5782
271	S	C	0.0000
272	D	C	-2.2151
273	A	C	-1.3753
274	P	C	-0.7953
275	V	C	-0.5663
276	H	C	-1.7347
277	D	C	-2.4619
278	C	C	-1.8472
279	N	C	-2.4096
280	T	C	0.0000
281	K	C	-2.3452
282	C	C	0.0000
283	Q	C	0.0000
284	T	C	0.0000
285	P	C	-0.8735
286	H	C	-1.5773
287	G	C	0.0000
288	A	C	0.0000
289	I	C	0.0000
290	N	C	-1.9346
291	S	C	-1.1362
292	S	C	-0.3687
293	L	C	-0.1646
294	P	C	0.0000
295	F	C	0.0000
296	Q	C	0.0000
297	N	C	-1.5681
298	I	C	-1.1445
299	H	C	-0.6943
300	P	C	-0.4275
301	V	C	0.1482
302	T	C	0.0000
303	I	C	0.0000
304	G	C	-0.8855
305	E	C	-1.2749
306	C	C	0.0000
307	P	C	0.0000
308	K	C	-0.2086
309	Y	C	-0.3258
310	V	C	0.0000
311	R	C	-2.3458
312	S	C	0.0000
313	T	C	-1.4848
314	K	C	-2.1342
315	L	C	0.0000
316	R	C	-0.9712
317	M	C	0.0000
318	A	C	0.0000
319	T	C	-0.0642
320	G	C	0.0000
321	L	C	0.0000
322	R	C	-0.8940
323	N	C	-0.8432
324	I	C	-0.5584
325	P	C	-0.9740
326	A	C	-1.0030
327	R	C	-1.9365
5	D	A	-2.0174
6	T	A	-0.9608
7	I	A	0.0000
8	C	A	0.0000
9	I	A	0.0000
10	G	A	0.0000
11	Y	A	0.0000
12	H	A	-0.0152
13	A	A	0.0000
14	N	A	-0.9652
15	N	A	-1.7171
16	S	A	-1.1201
17	T	A	-0.8873
18	D	A	-1.2121
19	T	A	-1.4028
20	V	A	0.0000
21	D	A	-1.9786
22	T	A	0.0000
23	V	A	0.0000
24	L	A	-1.4331
25	E	A	-3.0363
26	K	A	-3.2340
27	N	A	-2.6058
28	V	A	-1.7793
29	T	A	-1.2822
30	V	A	0.0000
31	T	A	0.0000
32	H	A	-0.8869
33	S	A	-0.3676
34	V	A	0.1806
35	N	A	-0.5860
36	L	A	0.0000
37	L	A	0.0000
38	E	A	-1.7468
39	D	A	-2.3988
40	S	A	-1.8220
41	H	A	-1.9516
42	N	A	-1.4112
44	G	A	-1.1596
45	K	A	-1.5076
46	L	A	0.0000
47	C	A	0.0000
48	K	A	-1.7975
49	L	A	0.0000
49A	K	A	-2.2046
50	G	A	-1.3260
51	I	A	0.0840
52	A	A	-0.5403
53	P	A	-0.0221
54	L	A	0.0000
55	Q	A	-0.5884
56	L	A	0.0000
57	G	A	-1.7733
58	K	A	-3.0207
59	C	A	0.0000
60	N	A	-1.3854
61	I	A	0.0000
62	A	A	0.0000
63	G	A	0.0000
64	W	A	0.0000
65	L	A	0.0000
66	L	A	0.0000
67	G	A	0.0000
68	N	A	0.0000
69	P	A	0.0000
70	E	A	-1.6586
71	C	A	0.0000
72	D	A	-0.1012
73	L	A	1.1218
74	L	A	0.0000
75	L	A	0.6335
76	T	A	0.3020
77	A	A	-0.1283
78	S	A	-0.8115
79	S	A	-0.4049
80	W	A	0.0000
81	S	A	-0.2543
82	Y	A	0.0000
83	I	A	0.0000
84	V	A	0.0000
85	E	A	-1.4010
86	T	A	-1.9203
87	S	A	-1.8415
88	N	A	-2.8008
89	S	A	-2.5470
90	E	A	-2.8657
91	N	A	-2.1521
92	G	A	0.0000
93	T	A	-0.6752
94	C	A	0.0000
95	Y	A	0.0000
96	P	A	0.0000
97	G	A	-1.4688
98	D	A	-2.1860
99	F	A	-0.6965
100	I	A	-0.2790
101	D	A	-0.5988
102	Y	A	-0.4228
103	E	A	-0.9276
104	E	A	0.0000
105	L	A	0.0000
106	R	A	0.0000
107	E	A	-0.8536
108	Q	A	-0.4940
109	L	A	0.0000
110	S	A	-0.3529
111	S	A	-0.7080
112	V	A	0.0000
113	S	A	-0.7010
114	S	A	-1.0041
115	F	A	0.0000
116	E	A	-2.4294
117	K	A	-1.6660
118	F	A	-0.9155
119	E	A	-0.8199
120	I	A	0.0000
121	F	A	0.0000
122	P	A	-0.5225
123	K	A	-0.7743
124	T	A	-0.5686
125	S	A	-0.4661
126	S	A	-0.5668
127	W	A	0.0000
128	P	A	-1.2994
129	N	A	-2.1793
130	H	A	0.0000
131	E	A	-2.1317
132	T	A	-1.3764
132A	T	A	-1.0937
133	K	A	-1.5278
134	G	A	-0.2755
135	V	A	0.9260
136	T	A	0.5128
137	A	A	-0.2428
138	A	A	0.0000
139	C	A	0.0000
140	S	A	0.1720
141	Y	A	0.2822
142	A	A	0.0063
143	G	A	-0.1851
144	A	A	0.1928
145	S	A	0.2505
146	S	A	0.3980
147	F	A	0.0000
148	Y	A	0.0000
149	R	A	-0.3858
150	N	A	0.0000
151	L	A	0.0000
152	L	A	0.0000
153	W	A	0.0000
154	L	A	0.0000
155	T	A	-1.1072
156	K	A	-1.8991
157	K	A	-2.2390
158	G	A	-1.5565
159	S	A	-1.2556
160	S	A	-1.6246
161	Y	A	0.0000
162	P	A	-1.6145
163	K	A	-1.9846
164	L	A	0.0000
165	S	A	-0.9997
166	K	A	-0.7141
167	S	A	-0.0779
168	Y	A	0.5242
169	V	A	0.7279
170	N	A	0.0000
171	N	A	-1.8645
172	K	A	-2.1520
173	G	A	-1.9869
174	K	A	-2.4269
175	E	A	-1.9558
176	V	A	0.0000
177	L	A	0.0000
178	V	A	0.0000
179	L	A	0.0000
180	W	A	0.0000
181	G	A	0.0000
182	V	A	0.0000
183	H	A	0.0000
184	H	A	0.0000
185	P	A	0.0000
186	P	A	-0.4642
187	T	A	-0.6996
188	G	A	-1.2313
189	T	A	-0.9322
190	D	A	-1.2260
191	Q	A	0.0000
192	Q	A	-1.7102
193	S	A	-1.0880
194	L	A	-0.7396
195	Y	A	0.0000
196	Q	A	-1.7384
197	N	A	-1.5987
198	A	A	-1.5809
199	D	A	-2.1040
200	A	A	0.0000
201	Y	A	-0.7335
202	V	A	0.0000
203	S	A	-1.1352
204	V	A	0.0000
205	G	A	-1.4131
206	S	A	0.0000
207	S	A	-1.8198
208	K	A	-2.5685
209	Y	A	-1.5516
210	N	A	-2.6052
211	R	A	-2.2236
212	R	A	-2.2893
213	F	A	0.0000
214	T	A	-0.9721
215	P	A	-1.0309
216	E	A	-1.8254
217	I	A	-0.6462
218	A	A	-0.4897
219	A	A	-0.3061
220	R	A	0.0000
221	P	A	-1.3098
222	K	A	-2.6147
223	V	A	-1.8676
224	R	A	-2.8899
225	D	A	-3.1674
226	Q	A	-2.1239
227	A	A	-1.2996
228	G	A	0.0000
229	R	A	0.0000
230	M	A	0.0000
231	N	A	-0.8788
232	Y	A	0.0000
233	Y	A	0.0000
234	W	A	0.1753
235	T	A	0.0000
236	L	A	-0.6628
237	L	A	0.0000
238	E	A	-2.6994
239	P	A	-2.0257
240	G	A	-1.4560
241	D	A	-1.1678
242	T	A	-0.3540
243	I	A	0.0000
244	T	A	-0.2871
245	F	A	0.0000
246	E	A	-0.9472
247	A	A	0.0000
248	T	A	-1.1089
249	G	A	0.0000
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