Project name: 1CZ8

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGYDFTHYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPYYYGTSHWYFDVWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK; L: DIQLTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE; W: VVKFMDVYQRSYCHPIETLVDIFQEYPDEIEYIFKPSCVPLMRCGGCCNDEGLECVPTEESNITMQIMRIKPHQGQHIGEMSFLQHNKCECRPK; V: VVKFMDVYQRSYCHPIETLVDIFQEYPDEIEYIFKPSCVPLMRCGGCCNDEGLECVPTEESNITMQIMRIKPHQGQHIGEMSFLQHNKCECRPK; Y: EVQLVESGGGLVQPGGSLRLSCAASGYDFTHYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPYYYGTSHWYFDVWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK; X: DIQLTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
Selected Chain(s)	H,L,W,V,Y,X
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                                          (00:10:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:25)

• Minimal score value: -3.6863
• Maximal score value: 1.4451
• Average score: -0.7345
• Total score value: -771.1761

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
14	V	V	1.4147
15	V	V	0.2322
16	K	V	-1.0728
17	F	V	0.0000
18	M	V	-0.1789
19	D	V	-1.2474
20	V	V	0.0000
21	Y	V	-0.6829
22	Q	V	-1.3505
23	R	V	-1.2266
24	S	V	0.0000
25	Y	V	-0.4423
26	C	V	0.0000
27	H	V	-1.1682
28	P	V	-1.2515
29	I	V	-0.8110
30	E	V	-1.2216
31	T	V	-0.7452
32	L	V	-0.3803
33	V	V	-0.7244
34	D	V	-1.3741
35	I	V	0.0000
36	F	V	-0.1014
37	Q	V	-1.3880
38	E	V	-1.1514
39	Y	V	-0.4913
40	P	V	-0.7194
41	D	V	-1.5007
42	E	V	-0.4186
43	I	V	0.6351
44	E	V	-0.9285
45	Y	V	-0.0395
46	I	V	0.2602
47	F	V	0.0000
48	K	V	-0.1316
49	P	V	0.0000
50	S	V	-0.5989
51	C	V	0.0000
52	V	V	0.0000
53	P	V	-0.9068
54	L	V	0.0000
55	M	V	-1.0485
56	R	V	-1.0268
57	C	V	-0.9546
58	G	V	-0.1612
59	G	V	-0.3686
60	C	V	-0.6760
61	C	V	-1.3609
62	N	V	-1.1932
63	D	V	-2.6294
64	E	V	-3.0108
65	G	V	-2.5995
66	L	V	-2.6397
67	E	V	-2.6627
68	C	V	-1.0963
69	V	V	-1.0386
70	P	V	-2.1105
71	T	V	-2.3213
72	E	V	-3.5604
73	E	V	-3.5667
74	S	V	-2.2671
75	N	V	-1.5840
76	I	V	0.1347
77	T	V	0.2564
78	M	V	0.0000
79	Q	V	-0.1907
80	I	V	0.0000
81	M	V	0.0000
82	R	V	0.0000
83	I	V	0.0000
84	K	V	-0.6591
85	P	V	-1.2714
86	H	V	-1.4257
87	Q	V	-0.7011
88	G	V	0.0000
89	Q	V	0.0000
90	H	V	0.0000
91	I	V	0.0000
92	G	V	0.0000
93	E	V	0.2110
94	M	V	0.0000
95	S	V	0.0212
96	F	V	0.0000
97	L	V	-0.7712
98	Q	V	-1.7915
99	H	V	-2.6366
100	N	V	-3.3997
101	K	V	-3.5888
102	C	V	-2.4384
103	E	V	-2.1958
104	C	V	0.0000
105	R	V	-2.9573
106	P	V	-2.6296
107	K	V	-2.7138
14	V	W	1.4451
15	V	W	0.1569
16	K	W	-1.2340
17	F	W	0.0000
18	M	W	-0.5720
19	D	W	-2.0205
20	V	W	0.0000
21	Y	W	-1.0682
22	Q	W	-1.8759
23	R	W	-2.1399
24	S	W	0.0000
25	Y	W	-0.5916
26	C	W	-0.7070
27	H	W	-1.3011
28	P	W	-1.2124
29	I	W	-0.9574
30	E	W	-1.6603
31	T	W	-0.9308
32	L	W	-0.4248
33	V	W	0.0000
34	D	W	-1.1678
35	I	W	0.0000
36	F	W	0.2012
37	Q	W	-1.4554
38	E	W	-1.1163
39	Y	W	-0.4692
40	P	W	-0.6551
41	D	W	-1.4896
42	E	W	-0.3894
43	I	W	0.8147
44	E	W	-0.9366
45	Y	W	-0.0357
46	I	W	0.4921
47	F	W	0.0000
48	K	W	-0.1254
49	P	W	0.0000
50	S	W	-0.4808
51	C	W	0.0000
52	V	W	0.0000
53	P	W	0.0000
54	L	W	0.0000
55	M	W	-1.2630
56	R	W	-1.0929
57	C	W	-1.1158
58	G	W	-0.3324
59	G	W	-0.4603
60	C	W	-0.7639
61	C	W	-1.4577
62	N	W	-1.2997
63	D	W	-2.8997
64	E	W	-3.0594
65	G	W	-2.6866
66	L	W	-2.7666
67	E	W	-2.6869
68	C	W	-1.2991
69	V	W	-1.1530
70	P	W	-2.1927
71	T	W	-2.3974
72	E	W	-3.6388
73	E	W	-3.5824
74	S	W	-2.2634
75	N	W	-1.5827
76	I	W	0.0579
77	T	W	0.2075
78	M	W	0.0000
79	Q	W	-0.0957
80	I	W	0.0000
81	M	W	0.0000
82	R	W	0.0000
83	I	W	0.0000
84	K	W	-0.8405
85	P	W	-1.3952
86	H	W	-1.4987
87	Q	W	-0.8068
88	G	W	0.0000
89	Q	W	0.0000
90	H	W	0.0000
91	I	W	0.0000
92	G	W	0.0000
93	E	W	0.2867
94	M	W	0.0000
95	S	W	0.0121
96	F	W	0.0000
97	L	W	-0.7069
98	Q	W	-1.7526
99	H	W	-2.6282
100	N	W	-3.3424
101	K	W	-3.4974
102	C	W	-2.4220
103	E	W	-2.3707
104	C	W	0.0000
105	R	W	-3.0591
106	P	W	-2.7157
107	K	W	-2.6919
1	D	L	-2.1817
2	I	L	0.0000
3	Q	L	-2.0383
4	L	L	0.0000
5	T	L	-0.9022
6	Q	L	0.0000
7	S	L	-0.5718
8	P	L	-0.4849
9	S	L	-0.7483
10	S	L	-0.6684
11	L	L	-0.5021
12	S	L	-0.7549
13	A	L	-1.0888
14	S	L	-1.0127
15	V	L	-0.2332
16	G	L	-0.8836
17	D	L	-1.8311
18	R	L	-2.4049
19	V	L	0.0000
20	T	L	-0.6629
21	I	L	0.0000
22	T	L	-0.5885
23	C	L	0.0000
24	S	L	-1.4735
25	A	L	-1.7516
26	S	L	-2.0120
27	Q	L	-2.6924
28	D	L	-2.6995
29	I	L	0.0000
30	S	L	-0.9419
31	N	L	-0.3736
32	Y	L	0.5030
33	L	L	0.0000
34	N	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	-1.0525
38	Q	L	-1.4535
39	K	L	-1.9439
40	P	L	-1.4665
41	G	L	-1.8159
42	K	L	-2.6357
43	A	L	-1.6892
44	P	L	0.0000
45	K	L	-1.7714
46	V	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.7811
50	F	L	1.1741
51	T	L	0.0000
52	S	L	0.1343
53	S	L	0.3547
54	L	L	0.3856
55	H	L	-0.2585
56	S	L	-0.3648
57	G	L	-0.4906
58	V	L	-0.3373
59	P	L	-0.3398
60	S	L	-0.4219
61	R	L	-0.7052
62	F	L	0.0000
63	S	L	-0.3015
64	G	L	0.0000
65	S	L	-0.6705
66	G	L	-1.1635
67	S	L	-1.2262
68	G	L	-1.7220
69	T	L	-2.1385
70	D	L	-2.4909
71	F	L	0.0000
72	T	L	-0.6869
73	L	L	0.0000
74	T	L	-0.6068
75	I	L	0.0000
76	S	L	-1.3434
77	S	L	-1.1993
78	L	L	0.0000
79	Q	L	-1.0109
80	P	L	-1.5359
81	E	L	-1.7991
82	D	L	0.0000
83	F	L	0.0000
84	A	L	0.0000
85	T	L	-0.8111
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	S	L	-0.2822
93	T	L	-0.2975
94	V	L	-0.2369
95	P	L	-0.4634
96	W	L	0.0000
97	T	L	-0.8504
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.5744
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.2266
104	V	L	0.0000
105	E	L	-1.0961
106	I	L	0.0000
107	K	L	-1.5416
108	R	L	-0.8874
109	T	L	0.0850
110	V	L	0.8471
111	A	L	0.4084
112	A	L	0.0140
113	P	L	0.0000
114	S	L	-0.1023
115	V	L	0.0000
116	F	L	0.1040
117	I	L	0.0746
118	F	L	0.0000
119	P	L	-0.5110
120	P	L	0.0000
121	S	L	-1.7916
122	D	L	-3.0367
123	E	L	-2.7549
124	Q	L	0.0000
125	L	L	-2.2578
126	K	L	-2.7829
127	S	L	-1.7152
128	G	L	-1.1726
129	T	L	-0.8453
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	-0.7021
139	F	L	0.0000
140	Y	L	-0.6899
141	P	L	-1.2201
142	R	L	-2.1418
143	E	L	-2.8543
144	A	L	-2.1530
145	K	L	-2.2570
146	V	L	-1.1315
147	Q	L	-0.7166
148	W	L	0.0000
149	K	L	-0.7932
150	V	L	0.0000
151	D	L	-2.0992
152	N	L	-1.7062
153	A	L	-0.4932
154	L	L	0.3147
155	Q	L	-0.3059
156	S	L	-0.4946
157	G	L	-0.9399
158	N	L	-0.9258
159	S	L	-1.1686
160	Q	L	-1.4498
161	E	L	-1.9399
162	S	L	-0.9493
163	V	L	-0.5299
164	T	L	-0.8698
165	E	L	-1.8927
166	Q	L	0.0000
167	D	L	-2.0278
168	S	L	-2.2286
169	K	L	-2.6125
170	D	L	-1.9916
171	S	L	0.0000
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	-0.6512
179	L	L	0.0000
180	T	L	-0.3548
181	L	L	-0.6012
182	S	L	-1.1331
183	K	L	-1.9334
184	A	L	-1.7171
185	D	L	-2.3050
186	Y	L	0.0000
187	E	L	-3.1665
188	K	L	-3.4565
189	H	L	-2.9755
190	K	L	-3.0304
191	V	L	-1.3443
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.7737
196	V	L	0.0000
197	T	L	-1.1907
198	H	L	0.0000
199	Q	L	-1.4175
200	G	L	-0.3243
201	L	L	-0.2463
202	S	L	-0.4867
203	S	L	-0.4321
204	P	L	-0.4807
205	V	L	0.1035
206	T	L	-0.3659
207	K	L	-0.6325
208	S	L	-0.5165
209	F	L	-0.8991
210	N	L	-1.8639
211	R	L	-2.4808
212	G	L	-2.1148
213	E	L	-2.4665
1	E	H	-2.0173
2	V	H	-1.2396
3	Q	H	-0.9143
4	L	H	0.0000
5	V	H	1.0658
6	E	H	0.0000
7	S	H	-0.3786
8	G	H	-0.8908
9	G	H	-0.6422
10	G	H	-0.2994
11	L	H	-0.1582
12	V	H	0.0000
13	Q	H	-1.7244
14	P	H	-1.9235
15	G	H	-1.6583
16	G	H	-1.3888
17	S	H	-1.6812
18	L	H	-1.4072
19	R	H	-2.3004
20	L	H	0.0000
21	S	H	-0.3825
22	C	H	0.0000
23	A	H	0.0243
24	A	H	0.0000
25	S	H	-1.0747
26	G	H	-1.4859
27	Y	H	-1.1242
28	D	H	-1.4694
29	F	H	0.0000
30	T	H	-0.2602
31	H	H	-0.2757
32	Y	H	-0.0091
33	G	H	0.0000
34	M	H	0.0000
35	N	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	-0.6199
39	Q	H	-0.9389
40	A	H	-1.2474
41	P	H	-0.9837
42	G	H	-1.4622
43	K	H	-2.3780
44	G	H	-1.6589
45	L	H	0.0000
46	E	H	-1.3140
47	W	H	0.0000
48	V	H	0.0000
49	G	H	0.0000
50	W	H	0.0000
51	I	H	0.0000
52	N	H	0.0000
53	T	H	0.0000
54	Y	H	0.2371
55	T	H	-0.4024
56	G	H	-0.9475
57	E	H	-2.0403
58	P	H	-1.3853
59	T	H	0.0000
60	Y	H	-0.9944
61	A	H	-0.9935
62	A	H	-1.6792
63	D	H	-2.6138
64	F	H	0.0000
65	K	H	-3.1212
66	R	H	-3.3834
67	R	H	-2.5595
68	F	H	0.0000
69	T	H	-1.3456
70	F	H	0.0000
71	S	H	-0.4146
72	L	H	-0.4407
73	D	H	-1.1281
74	T	H	-1.0637
75	S	H	-1.2399
76	K	H	-2.0143
77	S	H	-1.3359
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	0.0000
81	L	H	0.0000
82	Q	H	-1.6123
83	M	H	0.0000
84	N	H	-2.4097
85	S	H	-1.7916
86	L	H	0.0000
87	R	H	-2.6443
88	A	H	-1.8521
89	E	H	-2.2937
90	D	H	0.0000
91	T	H	-0.8151
92	A	H	0.0000
93	V	H	0.2178
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	K	H	0.0000
99	Y	H	0.0000
100	P	H	0.0000
101	Y	H	0.4694
102	Y	H	0.0000
103	Y	H	1.1327
104	G	H	0.3387
105	T	H	0.1859
106	S	H	0.2241
107	H	H	0.4337
108	W	H	0.0000
109	Y	H	0.0000
110	F	H	0.0000
111	D	H	-0.3825
112	V	H	-0.3373
113	W	H	0.0000
114	G	H	0.0000
115	Q	H	-1.2848
116	G	H	-0.5857
117	T	H	0.0000
118	L	H	0.1560
119	V	H	0.0000
120	T	H	-0.5470
121	V	H	0.0000
122	S	H	-0.8855
123	S	H	-0.7685
124	A	H	-0.4597
125	S	H	-0.5405
126	T	H	-0.6686
127	K	H	-1.0800
128	G	H	-1.3646
129	P	H	-0.6011
130	S	H	-0.3766
131	V	H	0.0000
132	F	H	0.0000
133	P	H	-1.2844
134	L	H	0.0000
135	A	H	-1.2269
136	P	H	0.0000
137	S	H	-0.6238
144	G	H	-0.6362
145	T	H	-0.5046
146	A	H	-0.2582
147	A	H	0.0000
148	L	H	0.0000
149	G	H	0.0000
150	C	H	0.0000
151	L	H	0.0000
152	V	H	0.0000
153	K	H	0.0000
154	D	H	-0.3719
155	Y	H	0.0000
156	F	H	0.0000
157	P	H	0.0000
158	E	H	-0.4321
159	P	H	-0.6915
160	V	H	-0.7392
161	T	H	-0.7171
162	V	H	-0.4473
163	S	H	-0.4300
164	W	H	0.0000
165	N	H	-0.7787
166	S	H	-0.6597
167	G	H	-0.4539
168	A	H	-0.1964
169	L	H	0.0324
170	T	H	-0.1398
171	S	H	-0.1556
172	G	H	-0.1595
173	V	H	0.1746
174	H	H	-0.2510
175	T	H	0.0405
176	F	H	0.0000
177	P	H	-0.2810
178	A	H	0.2167
179	V	H	0.5075
180	L	H	1.1345
181	Q	H	0.2874
182	S	H	-0.1458
183	S	H	-0.1959
184	G	H	0.0613
185	L	H	0.1755
186	Y	H	0.4992
187	S	H	0.0000
188	L	H	0.0000
189	S	H	0.0000
190	S	H	0.0000
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