Project name: 6YIO

Chain sequence(s)	H: QVQLVQSGAEVKKPGSSVKVSCKASGGTFSSLAISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSSLRSEDTAVYYCARGGSVSGTLVDFDIWGQGTMVTVSSASTKGPSVFPLAPGTAALGCCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSSLGTQTYICCNVNHKPSNTKVDKKVEPK; B: ELCDDDPPEIPHATFKAMAYKEGTMMLNCECKRGFRRIKSGSLYMLCTGNSSHSSWDNQCQCMQPVDQASLPGHCREPPPWENEATERIYHFVVGQMMVYYQCVQGYRALHRGPAESVCKMTHGKTRWTQPQLICT; L: DIQMTQSPSTLSASVGDRVTITCRASQSISSWLAWYQQKPGKAPKLLIYKASSLESGVPSRFSGSGSGTEFTLTISSLQQPDDFATYYCQQYNIYPITFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
Selected Chain(s)	H,B,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                                          (00:05:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:20)

• Minimal score value: -3.8851
• Maximal score value: 1.8674
• Average score: -0.7365
• Total score value: -414.6656

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	E	B	-1.8002
2	L	B	-0.7865
3	C	B	0.0000
4	D	B	-3.6876
5	D	B	-3.8851
6	D	B	-3.5499
7	P	B	0.0000
8	P	B	-2.1215
9	E	B	-2.3347
10	I	B	0.0000
11	P	B	-0.5876
12	H	B	-0.6988
13	A	B	-0.2443
14	T	B	-0.2834
15	F	B	-0.0477
16	K	B	-0.2960
17	A	B	0.0000
18	M	B	-0.4404
19	A	B	-1.4040
20	Y	B	0.0000
21	K	B	-1.6767
22	E	B	-2.5469
23	G	B	-1.1819
24	T	B	0.0000
25	M	B	0.3727
26	L	B	0.0000
27	N	B	0.3765
28	C	B	0.0000
29	E	B	-1.5715
30	C	B	-2.4626
31	K	B	-2.8106
32	R	B	-2.6741
33	G	B	-1.6511
34	F	B	-1.6342
35	R	B	-2.8556
36	R	B	-2.3210
37	I	B	-1.4668
38	K	B	-2.2664
39	S	B	-1.0514
40	G	B	-1.2982
41	S	B	-0.8129
42	L	B	0.5111
43	Y	B	0.5064
44	M	B	0.0000
45	L	B	-0.3604
46	C	B	0.0000
47	T	B	-1.4050
48	G	B	-1.7650
49	N	B	-1.8726
50	S	B	-1.0030
51	S	B	-0.7495
52	H	B	-0.9025
53	S	B	0.0000
54	S	B	-1.4026
55	W	B	-1.7068
56	D	B	-1.6190
57	N	B	-2.0578
58	Q	B	-2.0430
59	C	B	0.0000
60	Q	B	-2.5416
61	C	B	-2.0139
92	M	B	0.0771
93	Q	B	-0.7046
94	P	B	-0.2806
95	V	B	0.2193
96	D	B	-1.7213
97	Q	B	-1.7202
98	A	B	-0.9764
99	S	B	-0.5859
100	L	B	0.4824
101	P	B	-0.7233
102	G	B	-1.3060
103	H	B	-1.6236
104	C	B	0.0000
105	R	B	-2.7525
106	E	B	-2.7097
107	P	B	0.0000
108	P	B	-1.6246
109	P	B	-0.9890
110	W	B	-1.3042
111	E	B	-2.1111
112	N	B	-2.3301
113	E	B	-2.3606
114	A	B	-1.8446
115	T	B	-1.5826
116	E	B	-2.1213
117	R	B	-1.1940
118	I	B	-0.3023
119	Y	B	-0.1887
120	H	B	-0.7005
121	F	B	0.0000
122	V	B	0.0000
123	V	B	-0.4438
124	G	B	-0.3293
125	Q	B	0.0000
126	M	B	0.0737
127	V	B	0.0000
128	Y	B	0.0000
129	Y	B	0.0000
130	Q	B	0.0000
131	C	B	0.0000
132	V	B	-0.1559
133	Q	B	-1.0870
134	G	B	-0.8025
135	Y	B	-0.0389
136	R	B	0.3280
137	A	B	0.9266
138	L	B	1.3799
139	H	B	0.3825
140	R	B	-0.4696
141	G	B	-0.3349
142	P	B	-0.5614
143	A	B	0.0000
144	E	B	-0.7750
145	S	B	0.0000
146	V	B	-0.4802
147	C	B	0.0000
148	K	B	-1.8008
149	M	B	-1.1002
150	T	B	-1.4844
151	H	B	-1.8837
152	G	B	-1.8456
153	K	B	-2.8056
154	T	B	0.0000
155	R	B	-3.5360
156	W	B	0.0000
157	T	B	-1.4405
158	Q	B	-2.0305
159	P	B	0.0000
160	Q	B	-1.1094
161	L	B	0.0000
162	I	B	1.8674
163	C	B	0.0000
164	T	B	0.5646
1	Q	H	-1.4962
2	V	H	-1.0689
3	Q	H	-1.5265
4	L	H	0.0000
5	V	H	-0.0851
6	Q	H	0.0000
7	S	H	-0.5706
8	G	H	-0.5582
9	A	H	-0.0051
10	E	H	-0.1825
11	V	H	0.4064
12	K	H	-1.1554
13	K	H	-2.2624
14	P	H	-2.2441
15	G	H	-1.5798
16	S	H	-1.2618
17	S	H	-1.3476
18	V	H	0.0000
19	K	H	-1.9399
20	V	H	0.0000
21	S	H	-0.5115
22	C	H	0.0000
23	K	H	-0.9934
24	A	H	0.0000
25	S	H	-0.9643
26	G	H	-1.2988
27	G	H	-1.1529
28	T	H	-0.6837
29	F	H	0.0000
30	S	H	0.0000
31	S	H	0.0000
32	L	H	0.0000
33	A	H	0.0000
34	I	H	0.0000
35	S	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	-0.4034
39	Q	H	-0.6616
40	A	H	-0.9972
41	P	H	-0.8112
42	G	H	-1.2474
43	Q	H	-1.7574
44	G	H	-1.1305
45	L	H	0.0000
46	E	H	-0.6725
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	G	H	0.0000
51	I	H	0.0000
52	I	H	0.0000
53	P	H	0.0000
54	I	H	0.0000
55	F	H	0.1157
56	G	H	-0.4317
57	T	H	-0.2358
58	A	H	-0.1247
59	N	H	-0.1039
60	Y	H	-0.3197
61	A	H	0.0000
62	Q	H	-2.3468
63	K	H	-2.7122
64	F	H	0.0000
65	Q	H	-2.4043
66	G	H	-1.6618
67	R	H	-1.4378
68	V	H	0.0000
69	T	H	-0.5292
70	I	H	0.0000
71	T	H	-0.3107
72	A	H	-0.6171
73	D	H	-1.2217
74	E	H	-0.9294
75	S	H	-0.6547
76	T	H	-0.7172
77	S	H	0.0000
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	-0.4434
81	M	H	0.0000
82	E	H	-1.2913
83	L	H	0.0000
84	S	H	-1.0984
85	S	H	-1.1686
86	L	H	0.0000
87	R	H	-3.0241
88	S	H	-2.3324
89	E	H	-2.4980
90	D	H	0.0000
91	T	H	-0.8683
92	A	H	0.0000
93	V	H	0.2214
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	R	H	0.0000
99	G	H	0.0000
100	G	H	0.0000
101	S	H	0.0000
102	V	H	0.0000
103	S	H	-0.0299
104	G	H	-0.2032
105	T	H	0.0000
106	L	H	0.1986
107	V	H	0.0000
108	D	H	0.0000
109	F	H	0.0000
110	D	H	-0.5573
111	I	H	-0.4850
112	W	H	-0.6031
113	G	H	0.0000
114	Q	H	-1.5139
115	G	H	-0.7476
116	T	H	0.0000
117	M	H	0.2299
118	V	H	0.0000
119	T	H	0.0000
120	V	H	0.0000
121	S	H	-1.2785
122	S	H	-1.0851
123	A	H	-0.5632
124	S	H	-0.6171
125	T	H	-0.5477
126	K	H	-1.1768
127	G	H	-1.3110
128	P	H	0.0000
129	S	H	-0.4288
130	V	H	0.0000
131	F	H	0.0000
132	P	H	-1.3884
133	L	H	0.0000
134	A	H	-1.2621
135	P	H	-0.7893
143	G	H	-0.6376
144	T	H	-0.4851
145	A	H	-0.2208
146	A	H	0.0000
147	L	H	0.0000
148	G	H	0.0000
149	C	H	0.0000
150	L	H	0.0000
151	V	H	0.0000
152	K	H	0.0000
153	D	H	-0.3952
154	Y	H	0.0000
155	F	H	0.0000
156	P	H	0.0000
157	E	H	-0.7763
158	P	H	-1.0045
159	V	H	-0.7572
160	T	H	-0.5611
161	V	H	-0.1098
162	S	H	-0.3698
163	W	H	0.0000
164	N	H	-0.8266
165	S	H	-0.6915
166	G	H	-0.5695
167	A	H	-0.2965
168	L	H	-0.0721
169	T	H	-0.1980
170	S	H	-0.3734
171	G	H	-0.4299
172	V	H	0.1352
173	H	H	0.0000
174	T	H	0.0712
175	F	H	0.0000
176	P	H	-0.3918
177	A	H	0.0418
178	V	H	0.3896
179	L	H	1.1105
180	Q	H	0.2685
181	S	H	-0.0484
182	S	H	-0.1839
183	G	H	0.0364
184	L	H	0.0444
185	Y	H	0.0000
186	S	H	0.0000
187	L	H	0.0000
188	S	H	0.0000
189	S	H	0.0000
190	V	H	0.0000
191	V	H	0.0000
192	T	H	-0.1335
193	V	H	0.0000
194	P	H	-0.4573
195	S	H	-0.5044
196	S	H	-0.6097
197	S	H	0.0000
198	L	H	-0.8184
199	G	H	-0.9736
200	T	H	-0.8059
201	Q	H	-1.3823
202	T	H	-1.3099
203	Y	H	0.0000
204	I	H	-1.2392
205	C	H	0.0000
206	N	H	-1.3831
207	V	H	0.0000
208	N	H	-1.7653
209	H	H	0.0000
210	K	H	-2.7548
211	P	H	-1.6961
212	S	H	-1.7959
213	N	H	-2.5649
214	T	H	-2.0318
215	K	H	-2.5999
216	V	H	-1.4528
217	D	H	-2.2235
218	K	H	-2.0548
219	K	H	-2.4354
220	V	H	0.0000
221	E	H	-2.9879
222	P	H	-2.1742
223	K	H	-2.5623
1	D	L	-2.0027
2	I	L	0.0000
3	Q	L	-2.0654
4	M	L	0.0000
5	T	L	-1.0218
6	Q	L	0.0000
7	S	L	-0.6401
8	P	L	-0.5484
9	S	L	-0.7470
10	T	L	-0.6746
11	L	L	-0.4160
12	S	L	-0.7403
13	A	L	0.0000
14	S	L	-0.4487
15	V	L	0.3869
16	G	L	-0.7111
17	D	L	-1.5922
18	R	L	-2.2853
19	V	L	0.0000
20	T	L	-0.5105
21	I	L	0.0000
22	T	L	-0.7078
23	C	L	0.0000
24	R	L	-1.9742
25	A	L	0.0000
26	S	L	-1.7885
27	Q	L	-2.1053
28	S	L	-1.3012
29	I	L	0.0000
30	S	L	-0.8779
31	S	L	-0.8984
32	W	L	-0.3444
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	K	L	-1.7227
40	P	L	-1.5299
41	G	L	-1.6512
42	K	L	-2.6018
43	A	L	-1.6362
44	P	L	0.0000
45	K	L	-1.5839
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.4863
50	K	L	-1.1103
51	A	L	0.0000
52	S	L	-0.6652
53	S	L	-0.3690
54	L	L	0.0448
55	E	L	-0.4085
56	S	L	-0.4206
57	G	L	-0.5063
58	V	L	-0.3682
59	P	L	-0.3544
60	S	L	-0.4568
61	R	L	-0.8950
62	F	L	0.0000
63	S	L	-0.3695
64	G	L	-0.4550
65	S	L	-0.9149
66	G	L	-1.2891
67	S	L	-1.2144
68	G	L	-1.1907
69	T	L	-1.6929
70	E	L	-2.3744
71	F	L	0.0000
72	T	L	-0.7317
73	L	L	0.0000
74	T	L	-0.6615
75	I	L	0.0000
76	S	L	-1.3594
77	S	L	-1.2013
78	L	L	0.0000
79	Q	L	-0.9230
80	P	L	-0.8536
81	D	L	-1.8755
82	D	L	0.0000
83	F	L	-0.4273
84	A	L	0.0000
85	T	L	-0.8120
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	Y	L	0.0000
92	N	L	0.3547
93	I	L	0.9182
94	Y	L	0.5945
95	P	L	-0.2239
96	I	L	0.0000
97	T	L	-0.4376
98	F	L	-0.2708
99	G	L	0.0000
100	G	L	-1.0893
101	G	L	-0.8859
102	T	L	0.0000
103	K	L	-1.3996
104	V	L	0.0000
105	E	L	0.0000
106	I	L	-0.2743
107	K	L	-1.2951
108	R	L	-1.0386
109	T	L	-0.0535
110	V	L	0.5664
111	A	L	0.2746
112	A	L	-0.0563
113	P	L	0.0000
114	S	L	-0.1400
115	V	L	0.0000
116	F	L	0.1447
117	I	L	0.1595
118	F	L	0.0000
119	P	L	-0.4851
120	P	L	0.0000
121	S	L	-1.9450
122	D	L	-3.2708
123	E	L	-3.2447
124	Q	L	0.0000
125	L	L	-2.3909
126	K	L	-2.9460
127	S	L	-1.7929
128	G	L	-1.2605
129	T	L	-0.8878
130	A	L	0.0000
131	S	L	0.0000
132	V	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	L	L	0.0000
137	N	L	0.0000
138	N	L	-0.8794
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.7099
142	R	L	-3.1483
143	E	L	-3.2790
144	A	L	-2.3467
145	K	L	-2.3521
146	V	L	-1.1280
147	Q	L	-0.6607
148	W	L	0.0000
149	K	L	-0.5478
150	V	L	0.0000
151	D	L	-1.8349
152	N	L	-1.4584
153	A	L	-0.2063
154	L	L	0.7461
155	Q	L	-0.2774
156	S	L	-0.6571
157	G	L	-1.3079
158	N	L	-1.6530
159	S	L	-1.6034
160	Q	L	-1.6933
161	E	L	-2.0493
162	S	L	-1.1058
163	V	L	-0.9089
164	T	L	-1.1944
165	E	L	-2.2793
166	Q	L	-1.8510
167	D	L	-1.9165
168	S	L	-1.7216
169	K	L	-2.3054
170	D	L	-1.7061
171	S	L	-1.6679
172	T	L	0.0000
173	Y	L	0.0000
174	S	L	0.0000
175	L	L	0.0000
176	S	L	0.0000
177	S	L	0.0000
178	T	L	-0.8430
179	L	L	0.0000
180	T	L	-0.5739
181	L	L	-0.9226
182	S	L	-1.1822
183	K	L	-2.2161
184	A	L	-2.0791
185	D	L	-2.8954
186	Y	L	0.0000
187	E	L	-3.7918
188	K	L	-3.8282
189	H	L	-3.0557
190	K	L	-3.1292
191	V	L	-1.2539
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.9562
196	V	L	0.0000
197	T	L	-1.2577
198	H	L	0.0000
199	Q	L	-1.5637
200	G	L	-0.3688
201	L	L	-0.2217
202	S	L	-0.4690
203	S	L	-0.4422
204	P	L	-0.5868
205	V	L	0.0003
206	T	L	-0.4994
207	K	L	-0.7052
208	S	L	-0.5021
209	F	L	-0.8183
210	N	L	-1.7298
211	R	L	-2.4672
212	G	L	-2.1025
213	E	L	-2.4575