Project name: 6XY2

Chain sequence(s)	A: MHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDP; H: VQLQESGPGLVKPSETLSLTCTVSGFSLTSYGLSWIRQPPGKGLEWIGYIWYDGNTNFHSPLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCAKTEGHYYGSNYGYYALDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKS; L: DIQMTQSPSSLSASVGDRVTITCRASENIYSNLAWYQQKQGKAPKLLLYAATNLQDGVPSRFSGSGSGTDYTLTISSLQPEDFATYFCQHLWGTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
Selected Chain(s)	A,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                                          (00:05:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:29)

• Minimal score value: -3.9301
• Maximal score value: 2.3957
• Average score: -0.6337
• Total score value: -350.4115

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
3	M	A	0.0000
4	H	A	-1.0682
5	V	A	0.0000
6	A	A	-0.6429
7	Q	A	-0.3460
8	P	A	0.1360
9	A	A	0.3620
10	V	A	1.7796
11	V	A	1.6732
12	L	A	2.3957
13	A	A	0.6591
14	S	A	-0.1166
15	S	A	-0.8457
16	R	A	-2.1846
17	G	A	0.0000
18	I	A	-0.7081
19	A	A	0.0000
20	S	A	-0.0789
21	F	A	0.0000
22	V	A	-0.1350
23	C	A	0.0000
24	E	A	-1.2762
25	Y	A	0.0000
26	A	A	-0.6663
27	S	A	-0.8757
28	P	A	-0.7196
29	G	A	-1.4369
30	K	A	-2.0085
31	A	A	-0.7759
32	T	A	-0.3159
33	E	A	-0.3279
34	V	A	0.0000
35	R	A	-0.8610
36	V	A	0.0000
37	T	A	-0.5889
38	V	A	0.0000
39	L	A	-0.5364
40	R	A	-0.8655
41	Q	A	-1.0345
42	A	A	-1.2011
43	D	A	-2.1612
44	S	A	-1.4808
45	Q	A	-1.3399
46	V	A	-0.0756
47	T	A	-0.5867
48	E	A	-1.5049
49	V	A	-0.4702
50	C	A	0.0000
51	A	A	-0.2447
52	A	A	0.0000
53	T	A	-0.2772
54	Y	A	0.0000
55	M	A	-0.2454
56	M	A	-0.9012
57	G	A	-1.0908
58	N	A	-1.8345
59	E	A	-2.2004
60	L	A	0.0000
61	T	A	-0.2753
62	F	A	0.2568
63	L	A	0.5302
64	D	A	-1.6600
65	D	A	-1.8895
66	S	A	-0.5139
67	I	A	0.3919
68	C	A	0.0000
69	T	A	0.0428
70	G	A	-0.6323
71	T	A	-1.0191
72	S	A	-1.3688
73	S	A	-1.3479
74	G	A	-1.3722
75	N	A	-1.5108
76	Q	A	-1.3044
77	V	A	0.0000
78	N	A	-0.9038
79	L	A	0.0000
80	T	A	-0.2793
81	I	A	0.0000
82	Q	A	-1.4835
83	G	A	-1.4595
84	L	A	-0.9711
85	R	A	-1.3439
86	A	A	0.3545
87	M	A	0.5875
88	D	A	-0.2249
89	T	A	0.3339
90	G	A	-0.3379
91	L	A	-0.1577
92	Y	A	0.0000
93	I	A	0.0000
94	C	A	0.0000
95	K	A	-0.7415
96	V	A	0.0000
97	E	A	0.0000
98	L	A	0.0000
99	M	A	0.5365
100	Y	A	0.6033
101	P	A	-0.1172
102	P	A	0.1641
103	P	A	0.1362
104	Y	A	0.7285
105	Y	A	0.0000
106	L	A	0.1971
107	G	A	0.0000
108	I	A	-0.3437
109	G	A	-0.9303
110	N	A	-1.4038
111	G	A	0.0000
112	T	A	0.0000
113	Q	A	0.3447
114	I	A	0.0000
115	Y	A	1.8155
116	V	A	1.1769
117	I	A	1.5397
118	D	A	-0.2330
119	P	A	-0.4719
2	V	H	1.1305
3	Q	H	-0.6353
4	L	H	0.0000
5	Q	H	-1.5498
6	E	H	0.0000
7	S	H	-0.6451
8	G	H	-0.3199
9	P	H	-0.4257
10	G	H	-0.3713
11	L	H	-0.1883
12	V	H	-0.8271
13	K	H	-1.7678
14	P	H	-1.3571
15	S	H	-1.3798
16	E	H	-1.9382
17	T	H	-1.3252
18	L	H	0.0000
19	S	H	-0.6824
20	L	H	0.0000
21	T	H	-0.6299
22	C	H	0.0000
23	T	H	-1.2186
24	V	H	0.0000
25	S	H	-0.6189
26	G	H	-0.0058
27	F	H	0.3243
28	S	H	0.6434
29	L	H	1.5089
30	T	H	0.6978
31	S	H	0.2229
32	Y	H	0.2377
33	G	H	0.0000
34	L	H	0.0000
35	S	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	R	H	0.0000
39	Q	H	-0.8824
40	P	H	0.0000
41	P	H	-1.0155
42	G	H	-1.6340
43	K	H	-2.4027
44	G	H	-1.7133
45	L	H	0.0000
46	E	H	-1.2556
47	W	H	0.0000
48	I	H	0.0000
49	G	H	0.0000
50	Y	H	0.0000
51	I	H	0.0000
52	W	H	0.0000
53	Y	H	0.4580
54	D	H	-1.3170
55	G	H	-1.0059
56	N	H	-1.1015
57	T	H	-1.0685
58	N	H	-1.6913
59	F	H	0.0000
60	H	H	-1.8750
61	S	H	-1.4149
62	P	H	-1.1217
63	L	H	0.0000
64	K	H	-1.7163
65	S	H	-1.1279
66	R	H	-1.1600
67	V	H	0.0000
68	T	H	-0.7182
69	I	H	0.0000
70	S	H	-0.4253
71	V	H	-0.5287
72	D	H	-1.8598
73	T	H	-1.3444
74	S	H	-1.6166
75	K	H	-2.5147
76	N	H	-2.0111
77	Q	H	-1.6041
78	F	H	0.0000
79	S	H	-0.4929
80	L	H	0.0000
81	K	H	-0.9951
82	L	H	0.0000
83	S	H	-1.0412
84	S	H	-1.1517
85	V	H	0.0000
86	T	H	-0.5254
87	A	H	-0.1398
88	A	H	0.0622
89	D	H	0.0000
90	T	H	0.0816
91	A	H	0.0000
92	V	H	0.1374
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	K	H	0.0904
98	T	H	0.0000
99	E	H	-0.3456
100	G	H	0.0000
101	H	H	0.5947
102	Y	H	1.4614
103	Y	H	0.9184
104	G	H	0.0925
105	S	H	-0.0852
106	N	H	0.1282
107	Y	H	0.8227
108	G	H	0.0000
109	Y	H	0.0000
110	Y	H	0.0000
111	A	H	0.0000
112	L	H	0.0000
113	D	H	-0.0683
114	Y	H	0.3971
115	W	H	-0.5518
116	G	H	0.0000
117	Q	H	-2.0062
118	G	H	-1.1269
119	T	H	-0.3654
120	L	H	0.0707
121	V	H	0.0000
122	T	H	-0.1080
123	V	H	0.0000
124	S	H	-0.5856
125	S	H	-0.7195
126	A	H	-0.5488
127	S	H	-0.7470
128	T	H	-1.0257
129	K	H	-1.7560
130	G	H	-1.7746
131	P	H	-0.8258
132	S	H	-0.4410
133	V	H	0.0000
134	F	H	0.0000
135	P	H	-1.2104
136	L	H	0.0000
137	A	H	-1.2037
138	P	H	0.0000
139	S	H	-1.0365
140	S	H	-1.4133
141	K	H	-2.0530
142	S	H	-1.3184
143	T	H	-0.8700
146	G	H	-0.8038
147	T	H	-0.7375
148	A	H	0.0000
149	A	H	0.0000
150	L	H	0.0000
151	G	H	0.0000
152	C	H	0.0000
153	L	H	0.0000
154	V	H	0.0000
155	K	H	0.0000
156	D	H	-0.5597
157	Y	H	0.0000
158	F	H	0.0000
159	P	H	0.0000
160	E	H	-0.2682
161	P	H	-0.5390
162	V	H	-0.5742
163	T	H	-0.4790
164	V	H	-0.3701
165	S	H	-0.4211
166	W	H	0.0000
167	N	H	-0.8313
168	S	H	-0.7172
169	G	H	-0.5119
170	A	H	-0.2268
171	L	H	-0.0018
172	T	H	-0.2053
173	S	H	-0.2515
174	G	H	-0.2834
175	V	H	0.1009
176	H	H	-0.1254
177	T	H	0.0529
178	F	H	0.0000
179	P	H	-0.3940
180	A	H	0.3246
181	V	H	0.5208
182	L	H	1.3497
183	Q	H	0.2498
184	S	H	-0.0488
185	S	H	-0.2027
186	G	H	0.1050
187	L	H	0.0502
188	Y	H	0.4687
189	S	H	0.0000
190	L	H	0.3817
191	S	H	0.0000
192	S	H	0.0000
193	V	H	0.0000
194	V	H	0.0000
195	T	H	-0.1737
196	V	H	0.0000
197	P	H	-0.4491
198	S	H	-0.6632
199	S	H	-0.4809
200	S	H	-0.5346
201	L	H	-0.7919
202	G	H	-1.0655
203	T	H	-0.6965
204	Q	H	-1.2557
205	T	H	-1.1520
206	Y	H	0.0000
207	I	H	-1.3600
208	C	H	0.0000
209	N	H	-1.4884
210	V	H	0.0000
211	N	H	-1.7624
212	H	H	0.0000
213	K	H	-2.7256
214	P	H	-1.6651
215	S	H	-1.9448
216	N	H	-2.6252
217	T	H	-2.0801
218	K	H	-2.6102
219	V	H	-1.5605
220	D	H	-2.5430
221	K	H	-2.2219
222	R	H	-2.6965
223	V	H	0.0000
224	E	H	-2.8919
225	P	H	-2.0087
226	K	H	-2.5403
227	S	H	-1.3735
1	D	L	-2.4080
2	I	L	-1.8097
3	Q	L	-2.2848
4	M	L	0.0000
5	T	L	-1.3209
6	Q	L	0.0000
7	S	L	-0.9086
8	P	L	-0.6277
9	S	L	-0.8256
10	S	L	-0.6754
11	L	L	-0.4613
12	S	L	-0.7080
13	A	L	-1.0370
14	S	L	-1.1759
15	V	L	-0.9298
16	G	L	-1.2573
17	D	L	-2.0454
18	R	L	-2.5108
19	V	L	0.0000
20	T	L	-0.5348
21	I	L	0.0000
22	T	L	-0.7787
23	C	L	0.0000
24	R	L	-2.7554
25	A	L	0.0000
26	S	L	-2.2158
27	E	L	-2.6919
28	N	L	-1.5934
29	I	L	0.0000
30	Y	L	-0.1626
31	S	L	-0.1914
32	N	L	0.0000
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	-3.2921
40	Q	L	-2.9347
41	G	L	-2.4315
42	K	L	-3.2460
43	A	L	-2.0595
44	P	L	0.0000
45	K	L	-2.0145
46	L	L	0.0000
47	L	L	0.0000
48	L	L	0.0000
49	Y	L	0.1151
50	A	L	0.0000
51	A	L	0.0000
52	T	L	-0.2702
53	N	L	-0.3444
54	L	L	-0.2851
55	Q	L	-1.2522
56	D	L	-2.0403
57	G	L	-1.2898
58	V	L	-0.8900
59	P	L	-0.6291
60	S	L	-0.6807
61	R	L	-0.9453
62	F	L	0.0000
63	S	L	-0.3138
64	G	L	-0.2578
65	S	L	-0.5931
66	G	L	-0.9213
67	S	L	-0.7980
68	G	L	-0.9930
69	T	L	-1.6810
70	D	L	-1.7845
71	Y	L	0.0000
72	T	L	-0.6669
73	L	L	0.0000
74	T	L	-0.6787
75	I	L	0.0000
76	S	L	-1.5645
77	S	L	-1.4430
78	L	L	0.0000
79	Q	L	-1.4721
80	P	L	-2.0234
81	E	L	-2.6238
82	D	L	0.0000
83	F	L	-1.6818
84	A	L	0.0000
85	T	L	-1.1960
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	L	L	0.0000
92	W	L	0.0000
93	G	L	-0.7578
94	T	L	-1.0720
95	P	L	0.0000
96	Y	L	0.0000
97	T	L	-0.8821
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.9369
101	G	L	-1.2423
102	T	L	0.0000
103	K	L	-1.4145
104	L	L	0.0000
105	E	L	-1.1179
106	I	L	0.0000
107	K	L	-1.4430
108	R	L	-1.2066
109	T	L	0.1387
110	V	L	1.1880
111	A	L	0.4714
112	A	L	0.0531
113	P	L	0.0000
114	S	L	-0.2110
115	V	L	0.0000
116	F	L	0.1375
117	I	L	0.1071
118	F	L	0.0000
119	P	L	-0.5478
120	P	L	0.0000
121	S	L	-1.8729
122	D	L	-3.1675
123	E	L	-3.0520
124	Q	L	0.0000
125	L	L	-2.3878
126	K	L	-2.8096
127	S	L	-1.7313
128	G	L	-1.2554
129	T	L	-1.0860
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	-0.9462
139	F	L	0.0000
140	Y	L	-1.0255
141	P	L	-1.6798
142	R	L	-3.1640
143	E	L	-3.2529
144	A	L	-2.4115
145	K	L	-2.5061
146	V	L	-1.2457
147	Q	L	-0.8275
148	W	L	0.0000
149	K	L	-0.7628
150	V	L	0.0000
151	D	L	-1.4905
152	N	L	-1.4812
153	A	L	-0.4699
154	L	L	-0.0718
155	Q	L	-0.6162
156	S	L	-0.6972
157	G	L	-1.1361
158	N	L	-1.3677
159	S	L	-1.6379
160	Q	L	-2.0049
161	E	L	-2.1849
162	S	L	-1.0413
163	V	L	-0.6787
164	T	L	-0.8784
165	E	L	-1.9976
166	Q	L	0.0000
167	D	L	-1.9752
168	S	L	-2.3732
169	K	L	-2.7866
170	D	L	-2.2207
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	-0.8718
179	L	L	0.0000
180	T	L	-0.6410
181	L	L	-0.9484
182	S	L	-1.5779
183	K	L	-2.3789
184	A	L	-2.2593
185	D	L	-3.1900
186	Y	L	0.0000
187	E	L	-3.9301
188	K	L	-3.8402
189	H	L	-3.2000
190	K	L	-3.1322
191	V	L	-1.3454
192	Y	L	0.0000
193	A	L	-0.7640
194	C	L	0.0000
195	E	L	-1.1565
196	V	L	0.0000
197	T	L	-1.1831
198	H	L	0.0000
199	Q	L	-1.6885
200	G	L	-0.2363
201	L	L	-0.1661
202	S	L	-0.4756
203	S	L	-0.4281
204	P	L	-0.6296
205	V	L	-0.1622
206	T	L	-0.5814
207	K	L	-0.7787
208	S	L	-0.7114
209	F	L	-0.9337
210	N	L	-2.0300
211	R	L	-2.1657
212	G	L	-1.5261