Project name: 6b5ef6caeedd553

Chain sequence(s)	A: DIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR; H: EVQLVESGGGLVQPGGSLRLSCAASGFTISDYWIHWVRQAPGKGLEWVAGITPAGGYTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARFVFFLPYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC; B: EVQLVESGGGLVQPGGSLRLSCAASGFTISDYWIHWVRQAPGKGLEWVAGITPAGGYTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARFVFFLPYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC; L: DIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
Selected Chain(s)	A,B,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                                          (00:06:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:55)

• Minimal score value: -3.9368
• Maximal score value: 3.0612
• Average score: -0.643
• Total score value: -551.6785

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	L	-2.2751
2	I	L	0.0000
3	Q	L	-2.3080
4	M	L	0.0000
5	T	L	-1.4133
6	Q	L	0.0000
7	S	L	-0.6700
8	P	L	-0.5381
9	S	L	-0.7446
10	S	L	-0.6691
11	L	L	-0.4911
12	S	L	-0.8268
13	A	L	0.0000
14	S	L	-1.0385
15	V	L	-0.3571
16	G	L	-0.9895
17	D	L	-2.0771
18	R	L	-2.4258
19	V	L	0.0000
20	T	L	-0.6642
21	I	L	0.0000
22	T	L	-0.8248
23	C	L	0.0000
24	R	L	-2.9097
25	A	L	0.0000
26	S	L	-2.4247
27	Q	L	-3.0452
28	D	L	-2.8431
29	V	L	0.0000
30	S	L	-0.8622
31	T	L	-0.1844
32	A	L	0.0000
33	V	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	-1.6658
40	P	L	-1.5065
41	G	L	-1.6655
42	K	L	-2.4662
43	A	L	-1.5508
44	P	L	0.0000
45	K	L	-1.2833
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.9486
50	S	L	0.0000
51	A	L	0.0000
52	S	L	0.6559
53	F	L	1.9132
54	L	L	1.3454
55	Y	L	0.6339
56	S	L	0.0686
57	G	L	-0.3685
58	V	L	-0.1745
59	P	L	-0.2659
60	S	L	-0.3790
61	R	L	-0.7207
62	F	L	0.0000
63	S	L	0.1102
64	G	L	0.1701
65	S	L	-0.3698
66	G	L	-0.7586
67	S	L	-1.0086
68	G	L	-1.7503
69	T	L	-2.2269
70	D	L	-2.3026
71	F	L	0.0000
72	T	L	-0.7145
73	L	L	0.0000
74	T	L	-0.6245
75	I	L	0.0000
76	S	L	-1.4237
77	S	L	-1.2601
78	L	L	0.0000
79	Q	L	-0.9789
80	P	L	-1.5799
81	E	L	-1.8881
82	D	L	0.0000
83	F	L	-1.1634
84	A	L	0.0000
85	T	L	-0.7585
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	S	L	0.0000
92	Y	L	0.5685
93	T	L	-0.4041
94	T	L	-0.2096
95	P	L	-0.5790
96	P	L	0.0000
97	T	L	-0.4985
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.5577
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.3329
104	V	L	0.0000
105	E	L	-1.2139
106	I	L	0.0000
107	K	L	-1.4602
108	R	L	-0.8364
109	T	L	-0.0876
110	V	L	0.4416
111	A	L	-0.0349
112	A	L	-0.0991
113	P	L	0.0000
114	S	L	-0.1037
115	V	L	0.0000
116	F	L	0.2120
117	I	L	0.1321
118	F	L	0.0000
119	P	L	-0.7255
120	P	L	0.0000
121	S	L	0.0000
122	D	L	-2.6560
123	E	L	-2.1866
124	Q	L	0.0000
125	L	L	-1.9688
126	K	L	-2.5118
127	S	L	-1.5485
128	G	L	-1.0927
129	T	L	-0.8586
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	-0.8464
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.6614
142	R	L	-2.8850
143	E	L	-3.1485
144	A	L	-2.3839
145	K	L	-2.4982
146	V	L	-1.3155
147	Q	L	-0.8381
148	W	L	0.0000
149	K	L	-0.7241
150	V	L	0.0000
151	D	L	-1.8577
152	N	L	-1.5709
153	A	L	-0.3131
154	L	L	0.6104
155	Q	L	-0.2266
156	S	L	-0.5088
157	G	L	-0.9635
158	N	L	-0.9254
159	S	L	-1.2837
160	Q	L	-1.5511
161	E	L	-1.5691
162	S	L	-0.9309
163	V	L	-0.7466
164	T	L	0.0000
165	E	L	-2.2140
166	Q	L	0.0000
167	D	L	-2.1471
168	S	L	-2.2656
169	K	L	-2.6188
170	D	L	-1.8864
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	-0.6805
179	L	L	0.0000
180	T	L	-0.4771
181	L	L	-0.6095
182	S	L	-0.9882
183	K	L	-1.9950
184	A	L	-1.9499
185	D	L	-2.6007
186	Y	L	0.0000
187	E	L	-3.9253
188	K	L	-3.8361
189	H	L	-3.5197
190	K	L	-3.8282
191	V	L	-2.1713
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.7350
196	V	L	0.0000
197	T	L	-1.2448
198	H	L	0.0000
199	Q	L	-1.7020
200	G	L	-0.4146
201	L	L	-0.2821
202	S	L	-0.4975
203	S	L	-0.4764
204	P	L	-0.5871
205	V	L	-0.0722
206	T	L	-0.4865
207	K	L	-0.6043
208	S	L	-0.6470
209	F	L	-1.2485
210	N	L	-2.7015
211	R	L	-3.5183
1	E	H	-2.0319
2	V	H	-1.0393
3	Q	H	-1.2536
4	L	H	0.0000
5	V	H	0.3788
6	E	H	0.0000
7	S	H	-0.5174
8	G	H	-0.8063
9	G	H	-0.4063
10	G	H	-0.0096
11	L	H	0.0274
12	V	H	-0.5970
13	Q	H	-1.5489
14	P	H	-1.7429
15	G	H	-1.5954
16	G	H	-1.3186
17	S	H	-1.4236
18	L	H	-1.3039
19	R	H	-2.0567
20	L	H	0.0000
21	S	H	-0.4812
22	C	H	0.0000
23	A	H	-0.3520
24	A	H	0.0000
25	S	H	-0.8161
26	G	H	-1.0930
27	F	H	-0.7106
28	T	H	-0.8455
29	I	H	0.0000
30	S	H	-1.1004
31	D	H	-1.7105
32	Y	H	-0.2019
33	W	H	0.2765
34	I	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.9271
40	A	H	-1.2351
41	P	H	-1.2683
42	G	H	-1.5710
43	K	H	-2.3778
44	G	H	-1.6509
45	L	H	0.0000
46	E	H	-1.2903
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	G	H	0.0000
51	I	H	0.7622
52	T	H	0.0000
53	P	H	0.3937
54	A	H	-0.0146
55	G	H	-0.3659
56	G	H	-0.0950
57	Y	H	0.6359
58	T	H	0.6130
59	Y	H	0.1261
60	Y	H	-0.7114
61	A	H	-1.4397
62	D	H	-2.4121
63	S	H	-1.7610
64	V	H	0.0000
65	K	H	-2.5508
66	G	H	-1.8483
67	R	H	-1.7001
68	F	H	0.0000
69	T	H	-0.9245
70	I	H	-0.0601
71	S	H	-0.2184
72	A	H	-0.5367
73	D	H	-1.2101
74	T	H	-1.3618
75	S	H	-1.3585
76	K	H	-2.1414
77	N	H	-1.4509
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	0.0000
81	L	H	0.0000
82	Q	H	-1.6969
83	M	H	0.0000
84	N	H	-2.2566
85	S	H	-1.5908
86	L	H	0.0000
87	R	H	-2.5999
88	A	H	-1.8491
89	E	H	-2.3623
90	D	H	0.0000
91	T	H	-0.7628
92	A	H	0.0000
93	V	H	-0.0142
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	F	H	0.0000
100	V	H	0.0000
101	F	H	3.0612
102	F	H	2.9899
103	L	H	2.1521
104	P	H	1.8626
105	Y	H	1.3770
106	A	H	0.0000
107	M	H	0.0000
108	D	H	0.0000
109	Y	H	-0.0778
110	W	H	-0.2707
111	G	H	0.0000
112	Q	H	-1.4219
113	G	H	-0.7024
114	T	H	-0.0616
115	L	H	0.2051
116	V	H	0.0000
117	T	H	0.0000
118	V	H	0.0000
119	S	H	-0.9264
120	S	H	-0.6769
121	A	H	-0.4587
122	S	H	-0.5998
123	T	H	-0.8587
124	K	H	-1.4122
125	G	H	-1.4787
126	P	H	0.0000
127	S	H	-0.3922
128	V	H	0.0000
129	F	H	0.0000
130	P	H	-1.1595
131	L	H	0.0000
132	A	H	-1.1504
133	P	H	0.0000
134	S	H	-0.5461
135	S	H	-0.1482
141	G	H	-0.6307
142	T	H	-0.4745
143	A	H	-0.2407
144	A	H	0.0000
145	L	H	0.0000
146	G	H	0.0000
147	C	H	0.0000
148	L	H	0.0000
149	V	H	0.0000
150	K	H	0.0000
151	D	H	-0.4754
152	Y	H	0.0000
153	F	H	0.0000
154	P	H	0.0000
155	E	H	-0.8597
156	P	H	-0.8903
157	V	H	-0.7755
158	T	H	-0.6594
159	V	H	-0.2391
160	S	H	-0.3143
161	W	H	0.0000
162	N	H	-0.7301
163	S	H	-0.6142
164	G	H	-0.5713
165	A	H	-0.2638
166	L	H	-0.0134
167	T	H	-0.1600
168	S	H	-0.1487
169	G	H	-0.0989
170	V	H	0.1862
171	H	H	-0.3352
172	T	H	-0.1948
173	F	H	0.0000
174	P	H	-0.2869
175	A	H	0.2503
176	V	H	0.6286
177	L	H	1.2721
178	Q	H	0.2698
179	S	H	-0.0348
180	S	H	-0.1967
181	G	H	0.0041
182	L	H	0.0367
183	Y	H	0.4063
184	S	H	0.1830
185	L	H	0.0000
186	S	H	0.0000
187	S	H	0.0000
188	V	H	0.0000
189	V	H	0.0000
190	T	H	-0.1252
191	V	H	0.0000
192	P	H	-0.6022
193	S	H	-0.5036
194	S	H	-0.6129
195	S	H	-0.6606
196	L	H	-0.9401
197	G	H	-1.2573
198	T	H	-1.0573
199	Q	H	-1.6150
200	T	H	-1.3214
201	Y	H	0.0000
202	I	H	-1.0757
203	C	H	0.0000
204	N	H	0.0000
205	V	H	0.0000
206	N	H	-1.9505
207	H	H	0.0000
208	K	H	-2.7681
209	P	H	-1.6658
210	S	H	-1.8920
211	N	H	-2.5510
212	T	H	-2.1139
213	K	H	-2.5154
214	V	H	-1.2751
215	D	H	-1.9265
216	K	H	-1.7044
217	K	H	-2.4245
218	V	H	0.0000
219	E	H	-2.8955
220	P	H	-1.6754
221	K	H	-1.9415
222	S	H	-0.7486
223	C	H	0.1176
1	D	A	-2.2462
2	I	A	0.0000
3	Q	A	-2.2653
4	M	A	0.0000
5	T	A	-1.3905
6	Q	A	0.0000
7	S	A	-0.6944
8	P	A	-0.6580
9	S	A	-0.9163
10	S	A	-1.0190
11	L	A	-0.7054
12	S	A	-0.9138
13	A	A	0.0000
14	S	A	-0.9059
15	V	A	-0.1973
16	G	A	-0.7525
17	D	A	-1.8463
18	R	A	-2.3159
19	V	A	0.0000
20	T	A	-0.6824
21	I	A	0.0000
22	T	A	-0.7952
23	C	A	0.0000
24	R	A	-2.8621
25	A	A	0.0000
26	S	A	-2.3552
27	Q	A	-2.9902
28	D	A	-2.8475
29	V	A	0.0000
30	S	A	-0.9267
31	T	A	-0.3121
32	A	A	0.0000
33	V	A	0.0000
34	A	A	0.0000
35	W	A	0.0000
36	Y	A	0.0000
37	Q	A	0.0000
38	Q	A	0.0000
39	K	A	-1.7757
40	P	A	-1.4223
41	G	A	-1.6312
42	K	A	-2.4567
43	A	A	-1.5686
44	P	A	0.0000
45	K	A	-1.3745
46	L	A	0.0000
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	1.0057
50	S	A	0.0000
51	A	A	0.0000
52	S	A	0.8131
53	F	A	2.2069
54	L	A	1.4288
55	Y	A	0.6659
56	S	A	0.0554
57	G	A	-0.4803
58	V	A	0.0000
59	P	A	-0.4086
60	S	A	-0.4660
61	R	A	-0.8383
62	F	A	0.0000
63	S	A	0.1284
64	G	A	0.2504
65	S	A	-0.3340
66	G	A	-0.7511
67	S	A	-1.0180
68	G	A	-1.7795
69	T	A	-2.2104
70	D	A	-2.2145
71	F	A	0.0000
72	T	A	-0.7050
73	L	A	0.0000
74	T	A	-0.6431
75	I	A	0.0000
76	S	A	-1.3976
77	S	A	-1.2112
78	L	A	0.0000
79	Q	A	-1.0680
80	P	A	-1.5855
81	E	A	-2.0077
82	D	A	0.0000
83	F	A	-1.3145
84	A	A	0.0000
85	T	A	-1.0169
86	Y	A	0.0000
87	Y	A	0.0000
88	C	A	0.0000
89	Q	A	0.0000
90	Q	A	0.0000
91	S	A	0.0000
92	Y	A	0.4872
93	T	A	-0.2801
94	T	A	-0.1643
95	P	A	-0.5019
96	P	A	0.0000
97	T	A	-0.5258
98	F	A	0.0000
99	G	A	0.0000
100	Q	A	-1.5399
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-1.9740
104	V	A	0.0000
105	E	A	-1.4576
106	I	A	0.0000
107	K	A	-1.4046
108	R	A	-0.8204
109	T	A	-0.0202
110	V	A	0.4292
111	A	A	-0.0086
112	A	A	-0.0921
113	P	A	0.0000
114	S	A	-0.1582
115	V	A	0.0000
116	F	A	0.0868
117	I	A	0.0518
118	F	A	0.0000
119	P	A	-0.7354
120	P	A	-1.0007
121	S	A	0.0000
122	D	A	-3.1924
123	E	A	-3.1114
124	Q	A	0.0000
125	L	A	0.0000
126	K	A	-2.8841
127	S	A	-1.7545
128	G	A	-1.2876
129	T	A	-0.9378
130	A	A	0.0000
131	S	A	0.0000
132	V	A	0.0000
133	V	A	0.0000
134	C	A	0.0000
135	L	A	0.0000
136	L	A	0.0000
137	N	A	0.0000
138	N	A	-0.9328
139	F	A	0.0000
140	Y	A	0.0000
141	P	A	-1.7790
142	R	A	-3.1090
143	E	A	-3.2565
144	A	A	-2.3616
145	K	A	-2.3999
146	V	A	-0.9827
147	Q	A	-0.4852
148	W	A	0.0000
149	K	A	-0.5429
150	V	A	0.0000
151	D	A	-1.8494
152	N	A	-1.3522
153	A	A	-0.2547
154	L	A	0.6605
155	Q	A	-0.3309
156	S	A	-0.6556
157	G	A	-1.2114
158	N	A	-1.4798
159	S	A	-1.4082
160	Q	A	-1.4668
161	E	A	-1.9215
162	S	A	-1.0508
163	V	A	-0.8968
164	T	A	0.0000
165	E	A	-2.1885
166	Q	A	0.0000
167	D	A	-2.0221
168	S	A	-2.1980
169	K	A	-2.5953
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