Project name: PRTH101

Chain sequence(s)	A: RDGLLSYTAPVGQTMYLSEAVYLNDSTYDGHTVGGLQYGGLGQLADGVVGLDDFRKRVWPGYDYVGWSNHSFSSGYVEMEFEFDRLRAFQAMQVHCNNMHTLGARLPGGVECRFRRGPAMAWEGEPMRHNLGDPRARAVSVPLGGRVARFLQCRFLFAGPWLLFSEISFISDVVN; H: QVQLVESGGRVVQPGRSLRLSCTASGNRYYMLWVRQAPGKGLEWIGTISYGDTTYYASWAKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARADTGDNGYLGLQLWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK; L: IQMTQSPSSVSASVGDRVTITCQASQSIGSVLAWYQQKPGKAPKLLISGVFDLASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQYIPYGSSPFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
Selected Chain(s)	A,H,L
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                                          (00:05:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:50)

• Minimal score value: -3.839
• Maximal score value: 1.8629
• Average score: -0.638
• Total score value: -382.1472

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
188	R	A	-2.1185
189	D	A	-1.1216
190	G	A	-0.9275
191	L	A	-0.3748
192	L	A	0.3732
193	S	A	0.1324
194	Y	A	0.0000
195	T	A	-0.1691
196	A	A	0.0000
197	P	A	0.0000
198	V	A	0.0000
199	G	A	0.0000
200	Q	A	0.0000
201	T	A	0.0000
202	M	A	0.0000
203	Y	A	0.2954
204	L	A	0.0651
205	S	A	-0.7500
206	E	A	-1.7286
207	A	A	-0.4734
208	V	A	0.0000
209	Y	A	0.4469
210	L	A	0.0000
211	N	A	-0.4878
212	D	A	0.0000
213	S	A	-0.4294
214	T	A	-0.7983
215	Y	A	-1.1229
216	D	A	-1.9423
217	G	A	-1.2716
218	H	A	-1.1509
219	T	A	-0.2739
220	V	A	0.2379
221	G	A	0.0000
222	G	A	0.0000
223	L	A	0.2981
224	Q	A	0.0000
225	Y	A	0.1464
226	G	A	-0.5813
227	G	A	-0.5919
228	L	A	-0.3740
229	G	A	0.0000
230	Q	A	0.0000
231	L	A	0.0000
232	A	A	0.0000
233	D	A	-1.4396
234	G	A	-0.4446
235	V	A	1.7108
236	V	A	1.8629
237	G	A	0.9193
238	L	A	0.1068
239	D	A	-1.9138
240	D	A	-1.5786
241	F	A	0.0000
242	R	A	-1.8300
243	K	A	-2.2008
248	R	A	-1.3109
249	V	A	0.2369
250	W	A	0.4354
251	P	A	-0.6934
252	G	A	0.0000
253	Y	A	0.0088
254	D	A	0.2389
255	Y	A	0.0000
256	V	A	0.0000
257	G	A	0.0000
258	W	A	0.0000
259	S	A	0.0000
260	N	A	-0.7035
261	H	A	-0.6611
262	S	A	0.0000
263	F	A	0.0000
264	S	A	-0.1739
265	S	A	-0.2388
266	G	A	-0.2498
267	Y	A	-0.1203
268	V	A	0.0000
269	E	A	-0.8745
270	M	A	0.0000
271	E	A	-0.9365
272	F	A	0.0000
273	E	A	-1.1071
274	F	A	0.0000
275	D	A	-1.4175
276	R	A	-2.2455
277	L	A	-1.1320
278	R	A	0.0000
279	A	A	-0.5721
280	F	A	0.0000
281	Q	A	-0.9032
282	A	A	-0.3148
283	M	A	0.0000
284	Q	A	-0.5389
285	V	A	0.0000
286	H	A	-0.3086
287	C	A	0.0000
288	N	A	0.0000
289	N	A	0.0000
290	M	A	-1.0668
291	H	A	-0.9897
292	T	A	-0.3896
293	L	A	-0.0734
294	G	A	-0.4353
295	A	A	0.0000
296	R	A	-0.6707
297	L	A	-0.1483
298	P	A	0.0000
299	G	A	-0.4217
300	G	A	0.0000
301	V	A	0.0000
302	E	A	0.0000
303	C	A	0.0000
304	R	A	-1.7272
305	F	A	0.0000
306	R	A	-1.6955
307	R	A	-2.1442
308	G	A	-0.9140
309	P	A	-0.5012
310	A	A	0.2191
311	M	A	0.4369
312	A	A	-0.1821
313	W	A	-1.2396
314	E	A	-2.5013
315	G	A	-2.0310
316	E	A	-2.5971
317	P	A	-1.9957
318	M	A	-1.5267
319	R	A	-2.6347
320	H	A	-2.0618
321	N	A	-1.9468
326	L	A	0.5222
327	G	A	-0.4019
328	D	A	-1.3096
329	P	A	-1.8666
330	R	A	-2.8865
331	A	A	-2.0049
332	R	A	-2.4455
333	A	A	-1.0252
334	V	A	-0.6487
335	S	A	-0.7472
336	V	A	0.0000
337	P	A	-0.6849
338	L	A	0.0000
339	G	A	-0.9461
340	G	A	-1.1201
341	R	A	-0.9927
342	V	A	-0.7128
343	A	A	0.0000
344	R	A	-1.8466
345	F	A	0.0000
346	L	A	0.0000
347	Q	A	0.0000
348	C	A	0.0000
349	R	A	-0.9412
350	F	A	0.0000
351	L	A	0.1006
352	F	A	0.0789
353	A	A	-0.0295
354	G	A	0.0000
355	P	A	-0.5314
356	W	A	0.0000
357	L	A	0.0000
358	L	A	0.0000
359	F	A	0.0000
360	S	A	0.0000
361	E	A	0.0000
362	I	A	0.0000
363	S	A	-0.5763
364	F	A	0.0000
365	I	A	0.3333
366	S	A	-0.2735
367	D	A	-1.3374
368	V	A	-0.3547
369	V	A	-0.0030
370	N	A	-1.0227
23	Q	H	-1.2885
24	V	H	-0.8439
25	Q	H	-1.0076
26	L	H	0.0000
27	V	H	0.5748
28	E	H	0.0000
29	S	H	-0.5657
30	G	H	-0.6654
31	G	H	-0.6966
32	R	H	-1.0529
33	V	H	0.2429
34	V	H	0.0000
35	Q	H	-1.6665
36	P	H	-2.0707
37	G	H	-2.2515
38	R	H	-2.8111
39	S	H	-2.0970
40	L	H	-1.7490
41	R	H	-2.1557
42	L	H	0.0000
43	S	H	-0.4754
44	C	H	0.0000
45	T	H	-0.4598
46	A	H	-0.8299
47	S	H	-0.7603
48	G	H	-1.1605
52	N	H	-2.1515
53	R	H	-1.8745
54	Y	H	-0.6302
55	Y	H	-0.2685
56	M	H	0.0000
57	L	H	0.0000
58	W	H	0.0000
59	V	H	0.0000
60	R	H	-0.8310
61	Q	H	-1.0832
62	A	H	-1.2895
63	P	H	-1.0527
64	G	H	-1.5188
65	K	H	-2.4045
66	G	H	-1.8257
67	L	H	0.0000
68	E	H	-1.8881
69	W	H	0.0000
70	I	H	0.0000
71	G	H	0.0000
72	T	H	0.0000
73	I	H	0.0000
74	S	H	-0.7799
75	Y	H	-0.9782
76	G	H	-1.7423
77	D	H	-2.0469
78	T	H	-0.7463
79	T	H	0.1637
80	Y	H	1.0382
81	Y	H	0.3123
82	A	H	-0.0634
83	S	H	-0.1673
84	W	H	-0.4353
85	A	H	0.0000
86	K	H	-1.6900
87	G	H	-1.4784
88	R	H	-1.2359
89	F	H	0.0000
90	T	H	-0.8891
91	I	H	0.0000
92	S	H	-0.8226
93	R	H	-1.5851
94	D	H	-2.0867
95	N	H	-2.7905
96	S	H	-1.9663
97	K	H	-2.6019
98	N	H	-2.4861
99	T	H	0.0000
100	L	H	0.0000
101	Y	H	-0.7502
102	L	H	0.0000
103	Q	H	-1.6217
104	M	H	0.0000
105	N	H	-1.7833
106	S	H	-1.7204
107	L	H	0.0000
108	R	H	-2.6762
109	A	H	-1.8460
110	E	H	-2.3109
111	D	H	0.0000
112	T	H	-0.5756
113	A	H	0.0000
114	V	H	0.1169
115	Y	H	0.0000
116	Y	H	0.0000
117	C	H	0.0000
118	A	H	0.0000
119	R	H	-0.6353
120	A	H	0.0000
121	D	H	-0.3322
122	T	H	-0.6301
123	G	H	-1.2310
124	D	H	-1.9919
125	N	H	-0.8609
126	G	H	0.0000
127	Y	H	0.0000
128	L	H	0.0000
129	G	H	0.0000
130	L	H	0.0000
131	Q	H	-1.1408
132	L	H	-0.5476
133	W	H	0.0000
134	G	H	0.0000
135	Q	H	-1.1838
136	G	H	-0.5636
137	T	H	-0.2771
138	L	H	0.1811
139	V	H	0.0000
140	T	H	-0.2253
141	V	H	0.0000
142	S	H	-0.7543
143	S	H	-0.5077
144	A	H	-0.3651
145	S	H	-0.4818
146	T	H	-0.5732
147	K	H	-1.2393
148	G	H	-1.3274
149	P	H	-0.6647
150	S	H	-0.3587
151	V	H	0.0000
152	F	H	-0.4856
153	P	H	-0.8407
154	L	H	0.0000
155	A	H	-0.3408
156	P	H	-0.2765
164	G	H	-0.5924
165	T	H	-0.4041
166	A	H	-0.1863
167	A	H	0.0000
168	L	H	0.0000
169	G	H	0.0000
170	C	H	0.0000
171	L	H	0.0000
172	V	H	0.0000
173	K	H	-0.2651
174	D	H	-0.6222
175	Y	H	0.0000
176	F	H	0.0000
177	P	H	0.0000
178	E	H	-0.6889
179	P	H	-0.9157
180	V	H	0.0000
181	T	H	-0.7726
182	V	H	-0.5174
183	S	H	-0.5342
184	W	H	0.0000
185	N	H	-0.8007
186	S	H	-0.7664
187	G	H	-0.6333
188	A	H	-0.2735
189	L	H	0.0083
190	T	H	-0.1360
191	S	H	-0.1701
192	G	H	-0.1848
193	V	H	0.1260
194	H	H	-0.3343
195	T	H	0.0466
196	F	H	0.0000
197	P	H	-0.2404
198	A	H	0.2472
199	V	H	0.6967
200	L	H	1.4272
201	Q	H	0.3125
202	S	H	-0.1847
203	S	H	-0.1275
204	G	H	0.1175
205	L	H	0.1716
206	Y	H	0.5986
207	S	H	0.0000
208	L	H	0.0000
209	S	H	0.0000
210	S	H	0.0000
211	V	H	0.0000
212	V	H	0.0000
213	T	H	-0.1385
214	V	H	0.0000
215	P	H	-0.3280
216	S	H	-0.3910
217	S	H	-0.4825
218	S	H	-0.4552
219	L	H	-0.6739
220	G	H	-1.3646
221	T	H	-1.0773
222	Q	H	-1.5095
223	T	H	-1.3559
224	Y	H	0.0000
225	I	H	-1.0773
226	C	H	0.0000
227	N	H	-1.6298
228	V	H	0.0000
229	N	H	-2.0782
230	H	H	0.0000
231	K	H	-2.7854
232	P	H	-1.7105
233	S	H	-1.7981
234	N	H	-2.5124
235	T	H	-2.0606
236	K	H	-2.7648
237	V	H	-1.5892
238	D	H	-2.5127
239	K	H	-1.8805
240	R	H	-2.0134
241	V	H	0.0000
242	E	H	-2.2838
243	P	H	-2.1815
244	K	H	-2.5749
24	I	L	1.1276
25	Q	L	-0.6000
26	M	L	0.0000
27	T	L	-0.5899
28	Q	L	0.0000
29	S	L	-0.6143
30	P	L	-0.5942
31	S	L	-0.7787
32	S	L	-0.6902
33	V	L	-0.3587
34	S	L	-0.7582
35	A	L	0.0000
36	S	L	-0.7621
37	V	L	-0.2464
38	G	L	-0.8992
39	D	L	-1.8323
40	R	L	-2.3120
41	V	L	0.0000
42	T	L	-0.5720
43	I	L	0.0000
44	T	L	-0.6434
45	C	L	0.0000
46	Q	L	-1.5966
47	A	L	-1.1344
48	S	L	-0.9604
49	Q	L	-1.2423
50	S	L	-1.2362
51	I	L	0.0000
52	G	L	-0.5071
53	S	L	0.0234
54	V	L	0.0000
55	L	L	0.0000
56	A	L	0.0000
57	W	L	0.0000
58	Y	L	0.0000
59	Q	L	0.0000
60	Q	L	0.0000
61	K	L	-1.7380
62	P	L	-1.6286
63	G	L	-1.5650
64	K	L	-2.4868
65	A	L	-1.5679
66	P	L	0.0000
67	K	L	-1.6711
68	L	L	0.0000
69	L	L	0.0000
70	I	L	0.0000
71	S	L	0.0000
72	G	L	0.0000
73	V	L	0.0000
74	F	L	1.1340
75	D	L	0.0871
76	L	L	0.2394
77	A	L	-0.5698
78	S	L	-0.5900
79	G	L	-0.4515
80	V	L	-0.2692
81	P	L	-0.2747
82	S	L	-0.3662
83	R	L	-0.7575
84	F	L	0.0000
85	S	L	-0.0256
86	G	L	0.2712
87	S	L	-0.2200
88	G	L	-0.7117
89	S	L	-0.7712
90	G	L	-1.1217
91	T	L	-1.5916
92	D	L	-2.1525
93	F	L	0.0000
94	T	L	-0.6307
95	L	L	0.0000
96	T	L	-0.6287
97	I	L	0.0000
98	S	L	-1.1340
99	S	L	-1.0770
100	L	L	0.0000
101	Q	L	-0.9095
102	P	L	-0.9817
103	E	L	-1.8939
104	D	L	0.0000
105	F	L	-0.5150
106	A	L	0.0000
107	T	L	-0.8223
108	Y	L	0.0000
109	Y	L	0.0000
110	C	L	0.0000
111	Q	L	0.0000
112	Y	L	0.2117
113	I	L	0.0000
114	P	L	0.0000
115	Y	L	0.0000
116	G	L	0.0000
117	S	L	0.5695
118	S	L	0.0000
119	P	L	-0.0663
120	F	L	0.0000
121	G	L	0.0000
122	G	L	-1.3619
123	G	L	-1.0472
124	T	L	0.0000
125	K	L	-1.4028
126	V	L	0.0000
127	E	L	0.0000
128	I	L	-0.5945
129	K	L	-1.3555
130	R	L	-1.5810
131	T	L	-0.4100
132	V	L	0.3224
133	A	L	0.0250
134	A	L	-0.0900
135	P	L	-0.1381
136	S	L	-0.0955
137	V	L	0.0000
138	F	L	0.2495
139	I	L	0.1717
140	F	L	0.0000
141	P	L	-0.7998
142	P	L	-0.4983
143	S	L	-1.2901
144	D	L	-2.5240
145	E	L	-2.2052
146	Q	L	0.0000
147	L	L	-1.8372
148	K	L	-2.5536
149	S	L	-1.5592
150	G	L	-1.1722
151	T	L	-1.1280
152	A	L	0.0000
153	S	L	0.0000
154	V	L	0.0000
155	V	L	0.0000
156	C	L	0.0000
157	L	L	0.0000
158	L	L	0.0000
159	N	L	0.0000
160	N	L	-0.7192
161	F	L	0.0000
162	Y	L	0.0000
163	P	L	-1.2527
164	R	L	-1.8065
165	E	L	-2.5178
166	A	L	-2.0584
167	K	L	-2.2345
168	V	L	-1.3911
169	Q	L	-0.8647
170	W	L	0.0000
171	K	L	-1.0769
172	V	L	0.0000
173	D	L	-2.3482
174	N	L	-1.8828
175	A	L	-0.7343
176	L	L	-0.1988
177	Q	L	-0.8593
178	S	L	-0.8602
179	G	L	-1.1497
180	N	L	-1.7078
181	S	L	-1.2978
182	Q	L	-1.0038
183	E	L	-1.2350
184	S	L	0.0000
185	V	L	-0.2192
186	T	L	-0.7686
187	E	L	-2.0490
188	Q	L	-1.7797
189	D	L	-2.0747
190	S	L	-1.8527
191	K	L	-2.3883
192	D	L	-2.1450
193	S	L	0.0000
194	T	L	0.0000
195	Y	L	0.0000
196	S	L	0.0000
197	L	L	0.0000
198	S	L	0.0000
199	S	L	0.0000
200	T	L	0.0000
201	L	L	0.0000
202	T	L	-0.5010
203	L	L	-0.6607
204	S	L	-1.1151
205	K	L	-2.2085
206	A	L	-1.9841
207	D	L	-2.7575
208	Y	L	0.0000
209	E	L	-3.8390
210	K	L	-3.7445
211	H	L	-3.4279
212	K	L	-3.4563
213	V	L	-1.8506
214	Y	L	0.0000
215	A	L	0.0000
216	C	L	0.0000
217	E	L	-0.9260
218	V	L	0.0000
219	T	L	-1.2276
220	H	L	0.0000
221	Q	L	-1.4059
222	G	L	-0.4047
223	L	L	-0.2203
224	S	L	-0.4186
225	S	L	-0.4072
226	P	L	-0.6391
227	V	L	-0.0452
228	T	L	-0.5348
229	K	L	-0.6748
230	S	L	-0.5961
231	F	L	-1.2540
232	N	L	-2.6364
233	R	L	-3.0919
234	G	L	-2.4793
235	E	L	-2.5026