Project name: 483e54a0b53168b

Chain sequence(s)	H: VQLVESGGGLVQPGGSLRLSCAASGVSLPDYGVSWFRQAPGKGREWLGVIWGSETTYYNSRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAHYYYGGSYAMDYWGQGTQVTVSSENLYFQGGGGSGGGGSVESGGGLVQPGGSLRLSCAASGDSVSSNSAAWNWFRQAPGKGREWLGRTYYRSKWYNDYAVSRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAEVTGDLEDAFDIWGQGTQVTVSS; C: PLVVKVEEGDNAVLQCLTQQLTWSRESPLKPFLKLSLGLPGLGIHVSPLAIWLFISNVSQQMGGFYLCQPGPPSEKAWQPGWTVNVEGSGELFRWNVSDLGGLSPKLYVWAKDRPEIWEGEPPCLSQDLTMAPGSTLWLSCGVPPDSVSRGPLSWTHVHPKGPKSLLSLELKDDRPARDMWVMETGLLLPRATAQDAGKYYCHRGNLTMSFHLEITAR; U: LYAPRRLRVSMSPGDQVMEGKSATLTCESDANPPVSHYTWFDWNNQSLPYHSQKLRLEPVKVQHSGAYWCQGTNSVGKGRSPLSTLTVYYSPE
Selected Chain(s)	H,C,U
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:53)

• Minimal score value: -3.5116
• Maximal score value: 1.9321
• Average score: -0.6476
• Total score value: -362.026

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
23	P	C	0.4573
24	L	C	1.5195
25	V	C	1.4398
26	V	C	0.5043
27	K	C	-1.6337
28	V	C	0.0000
29	E	C	-3.5116
30	E	C	-3.3068
31	G	C	-2.6849
32	D	C	-3.2632
33	N	C	-2.3769
34	A	C	0.0000
35	V	C	1.0108
36	L	C	0.0000
37	Q	C	-0.0539
38	C	C	0.0000
39	L	C	1.1271
47	T	C	-1.0572
48	Q	C	-1.9546
49	Q	C	-1.9803
50	L	C	0.0000
51	T	C	0.0000
52	W	C	0.0000
53	S	C	0.0000
54	R	C	-2.0169
55	E	C	-2.6466
56	S	C	-1.3365
57	P	C	-0.6388
58	L	C	0.2646
59	K	C	-1.8234
60	P	C	-1.5776
61	F	C	0.0000
62	L	C	0.0000
63	K	C	-1.2682
64	L	C	0.0000
65	S	C	-1.1616
66	L	C	-0.6596
67	G	C	-0.4887
68	L	C	-0.2083
69	P	C	-0.6866
70	G	C	-0.8943
71	L	C	0.0000
72	G	C	0.0000
73	I	C	0.0000
74	H	C	0.0731
75	V	C	0.0000
76	S	C	-0.0484
77	P	C	0.0298
78	L	C	0.9886
79	A	C	0.0000
80	I	C	0.0000
81	W	C	0.5428
82	L	C	0.0000
83	F	C	0.3614
84	I	C	0.0000
85	S	C	-0.9744
86	N	C	-1.7256
87	V	C	0.0000
88	S	C	-1.6038
89	Q	C	-2.0112
90	Q	C	-1.8461
91	M	C	-0.9476
92	G	C	0.0000
93	G	C	0.0000
94	F	C	0.0000
95	Y	C	0.0000
96	L	C	0.0000
97	C	C	0.0000
98	Q	C	0.0000
99	P	C	-0.6416
100	G	C	-1.0019
101	P	C	-1.2236
102	P	C	-1.2348
103	S	C	-1.6171
104	E	C	-2.7670
105	K	C	-2.7515
106	A	C	-1.5442
107	W	C	-1.1493
108	Q	C	-1.1265
109	P	C	-0.7948
110	G	C	0.0000
111	W	C	-0.1995
112	T	C	0.0000
113	V	C	0.0000
114	N	C	0.0000
115	V	C	0.0000
116	E	C	-2.2856
117	G	C	-1.6405
118	S	C	-1.6645
119	G	C	-1.2824
120	E	C	-1.2359
121	L	C	-0.3060
122	F	C	0.0000
123	R	C	0.0000
124	W	C	0.0000
125	N	C	-1.4562
126	V	C	-0.4000
127	S	C	-0.3957
128	D	C	-0.6909
129	L	C	0.0000
130	G	C	0.1808
131	G	C	0.3824
132	L	C	1.0559
153	S	C	-0.8423
154	P	C	-1.2057
155	K	C	-1.5196
156	L	C	0.0000
157	Y	C	0.0000
158	V	C	0.0000
159	W	C	0.0000
160	A	C	-1.6425
161	K	C	-2.6643
162	D	C	-2.4729
163	R	C	-1.7867
164	P	C	0.0000
165	E	C	-1.1792
166	I	C	-0.5774
167	W	C	-1.1405
168	E	C	-2.3651
169	G	C	-2.2471
170	E	C	-2.2650
171	P	C	-0.8295
172	P	C	-0.1186
173	C	C	0.6153
174	L	C	1.4194
185	S	C	-0.5869
186	Q	C	-0.7141
187	D	C	-0.6985
188	L	C	0.0651
189	T	C	-0.3128
190	M	C	-0.5107
191	A	C	-1.1184
192	P	C	-1.3848
193	G	C	-1.2027
194	S	C	-0.8119
195	T	C	-0.5074
196	L	C	0.0000
197	W	C	0.5780
198	L	C	0.0000
199	S	C	0.0000
200	C	C	0.0000
201	G	C	-0.0758
202	V	C	0.9927
203	P	C	0.4064
204	P	C	-0.3716
205	D	C	-1.2796
206	S	C	-0.4330
207	V	C	-0.4753
208	S	C	-0.9901
209	R	C	-2.4776
210	G	C	-1.5938
211	P	C	-1.1797
212	L	C	0.0000
213	S	C	0.0000
214	W	C	0.0000
215	T	C	-0.2187
216	H	C	0.0000
217	V	C	0.0000
218	H	C	0.0000
219	P	C	0.0000
220	K	C	-0.7278
221	G	C	0.0000
222	P	C	0.0000
223	K	C	-0.6978
224	S	C	-0.4037
225	L	C	0.0000
226	L	C	0.0000
227	S	C	-0.5883
228	L	C	0.0000
229	E	C	-1.6761
230	L	C	0.0000
231	K	C	-3.0828
232	D	C	-3.4078
233	D	C	-3.4272
234	R	C	-2.1886
235	P	C	-1.0595
236	A	C	-0.8261
237	R	C	-0.8395
238	D	C	-0.7311
239	M	C	0.0000
240	W	C	0.5062
241	V	C	0.0000
242	M	C	-0.5857
243	E	C	-1.6847
244	T	C	0.0000
245	G	C	0.0000
246	L	C	0.0000
247	L	C	0.3810
248	L	C	0.0000
249	P	C	-1.4528
250	R	C	-3.1637
251	A	C	0.0000
252	T	C	-1.7573
253	A	C	-1.2323
254	Q	C	-1.3449
255	D	C	0.0000
256	A	C	-1.0763
257	G	C	-1.3555
258	K	C	-1.6335
259	Y	C	0.0000
260	Y	C	-0.6582
261	C	C	0.0000
262	H	C	-0.7948
263	R	C	-1.4351
264	G	C	-1.5866
265	N	C	-1.3464
266	L	C	0.2240
267	T	C	-0.1244
268	M	C	0.3726
269	S	C	0.0346
270	F	C	0.0000
271	H	C	-0.2975
272	L	C	0.0000
273	E	C	-1.6266
274	I	C	-1.7871
275	T	C	-1.5669
276	A	C	-1.4596
277	R	C	-2.6493
1	V	H	0.3758
2	Q	H	-0.3521
3	L	H	0.0000
4	V	H	0.1568
5	E	H	0.0000
6	S	H	-0.3807
7	G	H	-0.9926
8	G	H	-0.6896
9	G	H	-0.0471
10	L	H	1.0996
11	V	H	0.2588
12	Q	H	-0.9968
13	P	H	-1.5857
14	G	H	-1.2036
15	G	H	-1.0876
16	S	H	-1.0765
17	L	H	0.0000
18	R	H	-1.8118
19	L	H	0.0000
20	S	H	-0.3870
21	C	H	0.0000
22	A	H	-0.3586
23	A	H	0.0000
24	S	H	-0.4085
25	G	H	-0.4405
26	V	H	0.0000
27	S	H	-0.6828
28	L	H	0.0000
29	P	H	-1.2055
30	D	H	-1.2788
31	Y	H	-0.1573
32	G	H	0.0000
33	V	H	0.0000
34	S	H	0.0000
35	W	H	0.0000
36	F	H	-0.4376
37	R	H	-1.4434
38	Q	H	-2.2075
39	A	H	-2.0550
40	P	H	-1.3640
41	G	H	-1.7565
42	K	H	-2.9443
43	G	H	-2.7448
44	R	H	-3.0755
45	E	H	-2.2923
46	W	H	-0.5422
47	L	H	0.0000
48	G	H	0.0000
49	V	H	0.0000
50	I	H	0.0000
51	W	H	0.0000
52	G	H	0.0000
53	S	H	-1.0527
54	E	H	-1.3366
55	T	H	-0.5057
56	T	H	0.3528
57	Y	H	1.2054
58	Y	H	0.6851
59	N	H	-0.8891
60	S	H	-1.1178
61	R	H	-1.4386
62	F	H	0.0000
63	T	H	-0.3336
64	I	H	0.0000
65	S	H	-0.3848
66	R	H	-0.9656
67	D	H	-1.4651
68	N	H	-1.6405
69	A	H	-1.3271
70	K	H	-2.2484
71	R	H	-1.8805
72	M	H	-0.9407
73	V	H	0.0000
74	Y	H	-0.3717
75	L	H	0.0000
76	Q	H	-1.0963
77	M	H	0.0000
78	N	H	-1.5114
79	S	H	-1.2807
80	L	H	0.0000
81	R	H	-2.5071
82	A	H	-1.7969
83	E	H	-2.3653
84	D	H	0.0000
85	T	H	-0.9665
86	A	H	0.0000
87	V	H	-0.8243
88	Y	H	0.0000
89	Y	H	-0.2255
90	C	H	0.0000
91	A	H	0.0000
92	A	H	0.0000
93	H	H	0.0000
94	Y	H	0.7754
95	Y	H	0.3627
96	Y	H	0.2232
97	G	H	-0.3698
98	G	H	-0.5021
99	S	H	-0.1572
100	Y	H	0.3143
101	A	H	0.1701
102	M	H	0.0019
103	D	H	-0.8334
104	Y	H	0.0804
105	W	H	0.0515
106	G	H	-0.1346
107	Q	H	-1.0757
108	G	H	0.0000
109	T	H	-0.8822
110	Q	H	-1.2175
111	V	H	0.0000
112	T	H	-0.1556
113	V	H	0.0000
114	S	H	-0.8506
115	S	H	-0.3533
116	E	H	-0.5086
117	N	H	-0.7263
118	L	H	1.2265
119	Y	H	1.9321
120	F	H	1.4667
121	Q	H	0.0785
122	G	H	-0.4518
123	G	H	-0.3123
124	G	H	-0.7916
125	G	H	-0.6785
126	S	H	-0.5624
127	G	H	-1.1528
128	G	H	-1.2504
129	G	H	-0.7926
130	G	H	-0.3336
131	S	H	0.4798
132	V	H	1.2915
133	E	H	0.0000
134	S	H	-0.3087
135	G	H	-1.1200
136	G	H	-0.6033
137	G	H	-0.2283
138	L	H	0.9153
139	V	H	-0.3616
140	Q	H	-1.3814
141	P	H	-1.5579
142	G	H	-1.4956
143	G	H	-1.2303
144	S	H	-1.4488
145	L	H	0.0000
146	R	H	-2.1796
147	L	H	0.0000
148	S	H	-0.1251
149	C	H	0.0000
150	A	H	0.2222
151	A	H	0.0000
152	S	H	-0.8829
153	G	H	-1.4287
154	D	H	-1.6492
155	S	H	-1.5857
156	V	H	0.0000
157	S	H	-1.1552
158	S	H	-0.8613
159	N	H	-1.3136
160	S	H	-1.2438
161	A	H	-0.3477
162	A	H	0.0000
163	W	H	0.0000
164	N	H	0.0000
165	W	H	0.0000
166	F	H	0.0575
167	R	H	0.0000
168	Q	H	-1.5917
169	A	H	-1.7421
170	P	H	-1.3531
171	G	H	-1.8978
172	K	H	-2.7772
173	G	H	-2.1103
174	R	H	-1.9666
175	E	H	-1.1277
176	W	H	-0.0088
177	L	H	0.0000
178	G	H	0.0000
179	R	H	-0.1599
180	T	H	0.0000
181	Y	H	0.0000
182	Y	H	-0.7818
183	R	H	-1.9279
184	S	H	0.0000
185	K	H	-0.7621
186	W	H	-0.3982
187	Y	H	0.0445
188	N	H	-0.1727
189	D	H	-0.8748
190	Y	H	0.6676
191	A	H	0.0000
192	V	H	0.7542
193	S	H	0.1015
194	R	H	-0.0832
195	F	H	0.0000
196	T	H	-0.3215
197	I	H	0.0000
198	S	H	-0.4814
199	R	H	-1.1440
200	D	H	-1.6440
201	N	H	-2.1239
202	A	H	-1.7154
203	K	H	-2.4494
204	R	H	-2.1233
205	M	H	-0.8015
206	V	H	0.0000
207	Y	H	-0.1590
208	L	H	0.0000
209	Q	H	-1.1751
210	M	H	0.0000
211	N	H	-1.3917
212	S	H	-1.2455
213	L	H	0.0000
214	R	H	-2.7859
215	A	H	-1.8783
216	E	H	-2.4166
217	D	H	0.0000
218	T	H	-0.9644
219	A	H	-1.0792
220	V	H	-0.7335
221	Y	H	0.0000
222	Y	H	-0.2084
223	C	H	0.0000
224	A	H	0.0000
225	A	H	0.6934
226	E	H	0.0000
227	V	H	-0.0359
228	T	H	-1.0009
229	G	H	-1.8265
230	D	H	-2.1160
231	L	H	-0.6707
232	E	H	-1.9538
233	D	H	-1.5781
234	A	H	-0.2573
235	F	H	0.5433
236	D	H	0.0368
237	I	H	1.5602
238	W	H	0.9172
239	G	H	0.0000
240	Q	H	-0.8234
241	G	H	-0.7989
242	T	H	-0.9623
243	Q	H	-1.2256
244	V	H	0.0000
245	T	H	-0.4080
246	V	H	0.0000
247	S	H	-0.6611
248	S	H	-0.5793
590	L	U	1.6041
591	Y	U	0.7296
592	A	U	-0.1058
593	P	U	0.0000
594	R	U	-3.1104
595	R	U	-3.2870
596	L	U	0.0000
597	R	U	-2.4768
598	V	U	0.0000
599	S	U	-1.0373
600	M	U	-1.1178
601	S	U	-0.8604
602	P	U	-0.9172
603	G	U	-1.2431
604	D	U	-1.9123
605	Q	U	-1.6694
606	V	U	0.0000
607	M	U	-0.0873
608	E	U	-0.6919
609	G	U	-1.0970
610	K	U	-2.1970
611	S	U	-1.5764
612	A	U	0.0000
613	T	U	-1.4987
614	L	U	0.0000
615	T	U	-1.5692
616	C	U	0.0000
617	E	U	-2.1787
618	S	U	-2.0215
619	D	U	-1.6817
620	A	U	-0.9046
621	N	U	-0.2871
622	P	U	-0.0975
623	P	U	-0.4731
624	V	U	-0.6760
625	S	U	-0.5118
626	H	U	-0.8337
627	Y	U	-1.2247
628	T	U	0.0000
629	W	U	0.0000
630	F	U	-0.2659
631	D	U	0.0000
632	W	U	0.2281
633	N	U	-1.5085
634	N	U	-1.7466
635	Q	U	-1.6008
636	S	U	-1.2310
637	L	U	-0.6891
638	P	U	0.0000
639	Y	U	0.0000
640	H	U	-1.8542
641	S	U	-1.4530
642	Q	U	-1.8629
643	K	U	-2.5805
644	L	U	0.0000
645	R	U	-2.0980
646	L	U	0.0000
647	E	U	-1.6760
648	P	U	-1.3577
649	V	U	0.0000
650	K	U	-1.3291
651	V	U	-0.1702
652	Q	U	-1.5638
653	H	U	-1.0689
654	S	U	-0.7671
655	G	U	-0.0479
656	A	U	0.3580
657	Y	U	0.0000
658	W	U	0.0000
659	C	U	0.0000
660	Q	U	-1.5567
661	G	U	0.0000
662	T	U	-1.0049
663	N	U	-0.2202
664	S	U	0.3128
665	V	U	1.3100
666	G	U	-0.2344
667	K	U	-2.0234
668	G	U	-2.1858
669	R	U	-2.6132
670	S	U	0.0000
671	P	U	-0.5994
672	L	U	0.8526
673	S	U	0.1231
674	T	U	-0.1538
675	L	U	0.0000
676	T	U	-0.8521
677	V	U	0.0000
678	Y	U	1.0707
679	Y	U	1.2657
680	S	U	0.0306
681	P	U	-0.6901
682	E	U	-1.7687