Project name: 5SX4

Chain sequence(s)	I: DIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE; H: QVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSTQTYTCNVDHKPSNTKVDKTVE; J: QVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSSASTKGPSVFPLAPCTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPQTYTCNVDHKPSNTKVDKTVE; M: VCNGIGIGEFKDSLSIDATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLDITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSH; L: DIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE; N: KKVCNFKDSLSIDATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLDITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVS
Selected Chain(s)	I,H,J,M,L,N
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                                          (00:13:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:06)

• Minimal score value: -3.976
• Maximal score value: 1.4802
• Average score: -0.747
• Total score value: -909.8383

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	D	I	-2.3266
2	I	I	0.0000
3	Q	I	-1.9389
4	M	I	-1.1333
5	T	I	-0.9732
6	Q	I	0.0000
7	S	I	-0.6384
8	P	I	-0.6233
9	S	I	-0.8885
10	S	I	-1.0702
11	L	I	-0.6926
12	S	I	-0.8490
13	A	I	-1.1581
14	S	I	-1.1568
15	V	I	-0.4932
16	G	I	-1.0647
17	D	I	-2.0282
18	R	I	-2.4863
19	V	I	0.0000
20	T	I	-0.6552
21	I	I	0.0000
22	T	I	-0.6942
23	C	I	0.0000
24	Q	I	-1.9471
25	A	I	0.0000
26	S	I	-1.8872
27	Q	I	-2.2947
28	D	I	-2.5755
29	I	I	0.0000
30	S	I	-1.1253
31	N	I	-0.8730
32	Y	I	0.0000
33	L	I	0.0000
34	N	I	0.0000
35	W	I	0.0000
36	Y	I	0.0000
37	Q	I	0.0000
38	Q	I	-1.6836
39	K	I	-2.3682
40	P	I	-1.7547
41	G	I	-1.9405
42	K	I	-2.6898
43	A	I	-1.7537
44	P	I	0.0000
45	K	I	-2.0204
46	L	I	0.0000
47	L	I	0.0000
48	I	I	0.0000
49	Y	I	-0.1830
50	D	I	-0.4636
51	A	I	0.0000
52	S	I	-0.7696
53	N	I	-0.8678
54	L	I	-0.1254
55	E	I	-0.5505
56	T	I	-0.4105
57	G	I	-0.5253
58	V	I	0.0000
59	P	I	-0.3854
60	S	I	-0.4492
61	R	I	-0.8088
62	F	I	0.0000
63	S	I	-0.4874
64	G	I	-0.4420
65	S	I	-0.8976
66	G	I	-1.0889
67	S	I	-1.2448
68	G	I	-1.7308
69	T	I	-2.0830
70	D	I	-2.5761
71	F	I	0.0000
72	T	I	-0.7421
73	F	I	0.0000
74	T	I	-0.6161
75	I	I	0.0000
76	S	I	-1.4781
77	S	I	-1.3195
78	L	I	0.0000
79	Q	I	-1.2726
80	P	I	-1.9670
81	E	I	-2.5323
82	D	I	0.0000
83	I	I	0.0000
84	A	I	0.0000
85	T	I	-1.2065
86	Y	I	0.0000
87	F	I	0.0000
88	C	I	0.0000
89	Q	I	0.0000
90	H	I	0.0000
91	F	I	0.0000
92	D	I	-0.7696
93	H	I	-0.7397
94	L	I	-0.5567
95	P	I	-0.5141
96	L	I	0.0000
97	A	I	-0.5811
98	F	I	0.0000
99	G	I	0.0000
100	G	I	-1.0566
101	G	I	-0.8468
102	T	I	0.0000
103	K	I	-2.1208
104	V	I	0.0000
105	E	I	-1.8326
106	I	I	0.0000
107	K	I	-1.5988
108	R	I	-1.1633
109	T	I	-0.2760
110	V	I	0.2318
111	A	I	-0.0614
112	A	I	-0.1105
113	P	I	0.0000
114	S	I	-0.1219
115	V	I	0.0000
116	F	I	0.0335
117	I	I	0.0549
118	F	I	0.0000
119	P	I	-0.3846
120	P	I	-0.6996
121	S	I	-1.7038
122	D	I	-3.0551
123	E	I	-3.2288
124	Q	I	0.0000
125	L	I	-2.3626
126	K	I	-2.8657
127	S	I	-1.7834
128	G	I	-1.2590
129	T	I	-1.1110
130	A	I	0.0000
131	S	I	0.0000
132	V	I	0.0000
133	V	I	0.0000
134	C	I	0.0000
135	L	I	0.0000
136	L	I	0.0000
137	N	I	0.0000
138	N	I	-0.8279
139	F	I	0.0000
140	Y	I	-1.1858
141	P	I	-1.7884
142	R	I	-3.0736
143	E	I	-3.2337
144	A	I	-2.3047
145	K	I	-2.2906
146	V	I	-1.0207
147	Q	I	-0.6311
148	W	I	0.0000
149	K	I	-0.5186
150	V	I	0.0000
151	D	I	-1.7627
152	N	I	-1.2648
153	A	I	-0.2100
154	L	I	0.7544
155	Q	I	-0.1224
156	S	I	-0.5442
157	G	I	-0.9869
158	N	I	-0.9729
159	S	I	-1.2938
160	Q	I	-1.6669
161	E	I	-1.8554
162	S	I	-0.9416
163	V	I	-0.6724
164	T	I	-1.1046
165	E	I	-2.3556
166	Q	I	0.0000
167	D	I	-2.2373
168	S	I	-2.5932
169	K	I	-2.7472
170	D	I	-1.9833
171	S	I	0.0000
172	T	I	0.0000
173	Y	I	0.0000
174	S	I	0.0000
175	L	I	0.0000
176	S	I	0.0000
177	S	I	0.0000
178	T	I	-0.7082
179	L	I	0.0000
180	T	I	-0.3825
181	L	I	-0.8229
182	S	I	-1.2772
183	K	I	-2.2770
184	A	I	-2.2301
185	D	I	-3.1958
186	Y	I	0.0000
187	E	I	-3.9760
188	K	I	-3.9620
189	H	I	-3.2924
190	K	I	-3.3138
191	V	I	-1.5651
192	Y	I	0.0000
193	A	I	0.0000
194	C	I	0.0000
195	E	I	-0.8684
196	V	I	0.0000
197	T	I	-1.1438
198	H	I	0.0000
199	Q	I	-1.5437
200	G	I	-0.4568
201	L	I	-0.2369
202	S	I	-0.4504
203	S	I	-0.3703
204	P	I	-0.4361
205	V	I	0.1646
206	T	I	-0.4363
207	K	I	-0.7750
208	S	I	-0.6860
209	F	I	0.0000
210	N	I	-2.0779
211	R	I	-2.7423
212	G	I	-2.1909
213	E	I	-2.4597
1	Q	J	-1.5742
2	V	J	-1.2686
3	Q	J	-1.9639
4	L	J	0.0000
5	Q	J	-1.8530
6	E	J	0.0000
7	S	J	-0.6864
8	G	J	-0.5978
9	P	J	-0.5475
10	G	J	-0.3758
11	L	J	-0.3878
12	V	J	0.0000
13	K	J	-2.3005
14	P	J	-1.6190
15	S	J	-1.5346
16	E	J	-2.2193
17	T	J	-1.5561
18	L	J	0.0000
19	S	J	-0.9256
20	L	J	0.0000
21	T	J	-0.6757
22	C	J	0.0000
23	T	J	-1.1643
24	V	J	0.0000
25	S	J	-1.4789
26	G	J	-1.2737
27	G	J	-1.0036
28	S	J	-0.7574
29	V	J	0.0000
30	S	J	-0.3791
31	S	J	-0.4055
32	G	J	-0.3793
33	D	J	-0.7707
34	Y	J	-0.2893
35	Y	J	0.0000
36	W	J	0.0000
37	T	J	0.0000
38	W	J	0.0000
39	I	J	0.0000
40	R	J	0.0000
41	Q	J	-0.4780
42	S	J	-0.6573
43	P	J	-0.8770
44	G	J	-1.2426
45	K	J	-1.7387
46	G	J	-1.1636
47	L	J	0.0000
48	E	J	-0.6366
49	W	J	0.0000
50	I	J	0.0000
51	G	J	0.0000
52	H	J	0.0000
53	I	J	0.0000
54	Y	J	0.0000
55	Y	J	-0.0613
56	S	J	-0.2324
57	G	J	-0.4944
58	N	J	-0.6004
59	T	J	-0.1898
60	N	J	0.0000
61	Y	J	-0.4980
62	N	J	0.0000
63	P	J	-1.1378
64	S	J	-0.8449
65	L	J	0.0000
66	K	J	-1.8900
67	S	J	-1.2716
68	R	J	-1.3433
69	L	J	0.0000
70	T	J	-0.8817
71	I	J	0.0000
72	S	J	-0.4234
73	I	J	-0.3969
74	D	J	-1.2111
75	T	J	-1.0514
76	S	J	-1.3511
77	K	J	-2.0930
78	T	J	-1.3987
79	Q	J	-1.2028
80	F	J	0.0000
81	S	J	-0.5497
82	L	J	0.0000
83	K	J	-1.4057
84	L	J	0.0000
85	S	J	-1.2154
86	S	J	-1.2519
87	V	J	0.0000
88	T	J	-0.6640
89	A	J	-0.2435
90	A	J	-0.2011
91	D	J	0.0000
92	T	J	0.1164
93	A	J	0.0000
94	I	J	0.4365
95	Y	J	0.0000
96	Y	J	0.0000
97	C	J	0.0000
98	V	J	0.0000
99	R	J	0.0000
100	D	J	0.0000
101	R	J	-0.3993
102	V	J	0.0000
103	T	J	-0.1905
104	G	J	0.0000
105	A	J	0.0000
106	F	J	0.0000
107	D	J	-0.5016
108	I	J	-0.6014
109	W	J	-0.9497
110	G	J	0.0000
111	Q	J	-1.9540
112	G	J	0.0000
113	T	J	-0.2666
114	M	J	0.2975
115	V	J	0.0000
116	T	J	-0.1860
117	V	J	0.0000
118	S	J	-0.7432
119	S	J	-0.8864
120	A	J	-0.5904
121	S	J	-0.7069
122	T	J	-0.7386
123	K	J	-1.4264
124	G	J	-1.5580
125	P	J	-0.6996
126	S	J	-0.5081
127	V	J	0.0000
128	F	J	0.0000
129	P	J	-0.8894
130	L	J	0.0000
131	A	J	-0.3218
132	P	J	-0.0311
133	C	J	-0.0648
141	T	J	-0.1213
142	A	J	0.0045
143	A	J	0.0000
144	L	J	-0.0445
145	G	J	0.0000
146	C	J	0.0000
147	L	J	0.0000
148	V	J	0.0000
149	K	J	0.0000
150	D	J	-0.5433
151	Y	J	0.0000
152	F	J	0.0000
153	P	J	0.0000
154	E	J	-0.3567
155	P	J	-0.5459
156	V	J	-0.5629
157	T	J	-0.5269
158	V	J	-0.3245
159	S	J	-0.4648
160	W	J	0.0000
161	N	J	-0.7438
162	S	J	-0.7690
163	G	J	-0.5664
164	A	J	-0.2379
165	L	J	0.0136
166	T	J	-0.1541
167	S	J	-0.1349
168	G	J	-0.1262
169	V	J	0.2063
170	H	J	-0.1203
171	T	J	-0.0036
172	F	J	0.0000
173	P	J	-0.3612
174	A	J	0.2708
175	V	J	0.5161
176	L	J	1.3286
177	Q	J	0.2552
178	S	J	-0.0532
179	S	J	-0.2375
180	G	J	0.0025
181	L	J	0.1097
182	Y	J	0.4688
183	S	J	0.0000
184	L	J	0.0000
185	S	J	0.0000
186	S	J	0.0000
187	V	J	0.0000
188	V	J	0.0000
189	T	J	0.0234
190	V	J	0.0653
191	P	J	-0.1897
198	Q	J	-1.3765
199	T	J	-0.9257
200	Y	J	-0.7185
201	T	J	-0.9784
202	C	J	0.0000
203	N	J	-1.3165
204	V	J	0.0000
205	D	J	-1.7847
206	H	J	0.0000
207	K	J	-2.7151
208	P	J	-1.5948
209	S	J	-1.9013
210	N	J	-2.5893
211	T	J	-2.0597
212	K	J	-2.6131
213	V	J	-1.3948
214	D	J	-2.2073
215	K	J	-1.4750
216	T	J	-1.0420
217	V	J	0.0000
218	E	J	-1.9823
1	D	L	-2.3533
2	I	L	0.0000
3	Q	L	-1.9916
4	M	L	0.0000
5	T	L	-1.0646
6	Q	L	-0.8153
7	S	L	-0.5321
8	P	L	-0.6427
9	S	L	-0.8716
10	S	L	-1.0027
11	L	L	-0.7252
12	S	L	-1.0980
13	A	L	-1.1632
14	S	L	-0.9706
15	V	L	0.1086
16	G	L	-0.6651
17	D	L	-1.9527
18	R	L	-2.3505
19	V	L	0.0000
20	T	L	-0.6740
21	I	L	0.0000
22	T	L	-0.7403
23	C	L	0.0000
24	Q	L	-1.9379
25	A	L	-1.8053
26	S	L	-1.8924
27	Q	L	-2.2624
28	D	L	-2.5481
29	I	L	0.0000
30	S	L	-1.1230
31	N	L	-0.8998
32	Y	L	0.0000
33	L	L	0.0000
34	N	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	-1.5010
39	K	L	-1.9632
40	P	L	-1.5680
41	G	L	-1.8489
42	K	L	-2.5965
43	A	L	-1.6691
44	P	L	0.0000
45	K	L	-1.7710
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.2286
50	D	L	-0.5209
51	A	L	0.0000
52	S	L	-0.8267
53	N	L	-0.9617
54	L	L	-0.1451
55	E	L	-0.5008
56	T	L	-0.3667
57	G	L	-0.4357
58	V	L	-0.3138
59	P	L	-0.3232
60	S	L	-0.4168
61	R	L	-0.7532
62	F	L	0.0000
63	S	L	-0.4911
64	G	L	-0.4741
65	S	L	-0.9332
66	G	L	-1.1233
67	S	L	-1.2594
68	G	L	-1.6926
69	T	L	-2.0573
70	D	L	-2.5586
71	F	L	0.0000
72	T	L	-0.7628
73	F	L	0.0000
74	T	L	-0.6113
75	I	L	0.0000
76	S	L	-1.2895
77	S	L	-1.0255
78	L	L	0.0000
79	Q	L	-0.6950
80	P	L	-1.4854
81	E	L	-1.7826
82	D	L	0.0000
83	I	L	0.0000
84	A	L	0.0000
85	T	L	-1.0698
86	Y	L	0.0000
87	F	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	H	L	0.0000
91	F	L	0.0000
92	D	L	-0.6097
93	H	L	-0.6735
94	L	L	-0.3653
95	P	L	-0.4347
96	L	L	0.0000
97	A	L	-0.5832
98	F	L	0.0000
99	G	L	0.0000
100	G	L	-1.1662
101	G	L	-0.8646
102	T	L	0.0000
103	K	L	-1.9747
104	V	L	0.0000
105	E	L	-1.6152
106	I	L	0.0000
107	K	L	-1.8255
108	R	L	-1.1456
109	T	L	-0.1869
110	V	L	0.3013
111	A	L	0.0301
112	A	L	-0.0900
113	P	L	0.0000
114	S	L	-0.1513
115	V	L	0.0000
116	F	L	-0.0869
117	I	L	0.0000
118	F	L	0.0000
119	P	L	-0.4187
120	P	L	-0.6850
121	S	L	-1.4701
122	D	L	-2.7586
123	E	L	-2.5781
124	Q	L	0.0000
125	L	L	-2.1699
126	K	L	-2.6888
127	S	L	-1.6651
128	G	L	-1.2125
129	T	L	-0.8821
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	-0.2610
138	N	L	-0.8107
139	F	L	0.0000
140	Y	L	-1.1331
141	P	L	-1.6678
142	R	L	-2.7937
143	E	L	-3.1129
144	A	L	-2.2516
145	K	L	-2.2655
146	V	L	-0.9989
147	Q	L	-0.5025
148	W	L	0.0000
149	K	L	-0.5048
150	V	L	0.0000
151	D	L	-1.8316
152	N	L	-1.4020
153	A	L	-0.3008
154	L	L	0.7278
155	Q	L	-0.3234
156	S	L	-0.8140
157	G	L	-1.4316
158	N	L	-1.8445
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