Project name: c6068d0fe3135f1

Chain sequence(s)	H: EVQLVESGAEVKKPGSSSVKVSCRASGTFYKYAINWVRQAPGQGLEWMMGGIIPFFGTTNYAQKFQGRLTITADGSTNTAYMMQLDSLRSEDTAVYYCAGPSITESHYCLDCAAKDYYYGLDVWGQGTTVTVSSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSSLSSVVTVPSSSLGTQTYICNVNHKPSNTTKVDKKVEPKSCHHHHHH; L: QSVLTQPPSASGTPGQSVTISCSSGSRSNIGGNTVNWYQHLPGMAPKLLIYSSSNQRRSSSGVVPDDRFSSGSKSGTSSASSLAISGLQSEDDDADYYCASSWDDSLNGVVFGGGTKLTVLGQPKAAPSSVTLFPPSSEELQANKATLVCLISSDFYPGAVTVAWKADSSPVKAGVETTTPSSKQSNNKYAASSSYLSLTPEQWKSHKSYSCQVTHEGSSTVEKTVAPTEC
Selected Chain(s)	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                                          (00:05:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:22)

• Minimal score value: -3.1477
• Maximal score value: 1.3596
• Average score: -0.647
• Total score value: -290.4881

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	Q	L	-0.9842
2	S	L	-0.2482
3	V	L	0.9048
4	L	L	0.0000
5	T	L	-0.2396
6	Q	L	0.0000
7	P	L	-0.5017
8	P	L	-0.7221
9	S	L	-0.7254
11	A	L	-0.4752
12	S	L	-0.2511
13	G	L	-0.4356
14	T	L	-0.5345
15	P	L	-1.0133
16	G	L	-1.4074
17	Q	L	-1.6192
18	S	L	-1.0211
19	V	L	-0.2788
20	T	L	-0.1197
21	I	L	0.0000
22	S	L	-0.3226
23	C	L	0.0000
24	S	L	-0.2608
25	G	L	-0.4549
26	S	L	-1.1061
27	R	L	-2.3942
27A	S	L	-1.5467
27B	N	L	0.0000
28	I	L	0.0000
29	G	L	-1.5857
30	G	L	-1.3664
31	N	L	-0.9663
32	T	L	-0.4345
33	V	L	0.0000
34	N	L	-0.3423
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	-0.7046
38	H	L	0.0000
39	L	L	-0.2397
40	P	L	-0.2039
41	G	L	-0.1423
42	M	L	0.4276
43	A	L	-0.1012
44	P	L	0.0000
45	K	L	-1.3085
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.5321
50	S	L	-0.7541
51	S	L	0.0000
52	N	L	-2.1082
53	Q	L	-2.1700
54	R	L	-2.3874
55	S	L	-1.4146
56	S	L	-0.9841
57	G	L	-1.0443
58	V	L	0.0000
59	P	L	-1.5224
60	D	L	-2.4291
61	R	L	-1.4826
62	F	L	0.0000
63	S	L	-1.4593
64	G	L	-1.2093
65	S	L	-1.1548
66	K	L	-1.2195
67	S	L	-0.8066
68	G	L	-1.1813
69	T	L	-1.1839
70	S	L	-0.8494
71	A	L	0.0000
72	S	L	-0.5774
73	L	L	0.0000
74	A	L	-0.1944
75	I	L	0.0000
76	S	L	-1.1171
77	G	L	-1.1070
78	L	L	0.0000
79	Q	L	-1.5090
80	S	L	-1.5097
81	E	L	-2.2501
82	D	L	0.0000
83	D	L	0.0000
84	A	L	0.0000
85	D	L	-0.8832
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	A	L	0.0000
90	S	L	0.0000
91	W	L	0.0000
92	D	L	0.0000
93	D	L	-1.6153
94	S	L	-0.6985
95	L	L	0.1261
95A	N	L	-1.2528
95B	G	L	0.0000
96	V	L	0.0218
97	V	L	0.0000
98	F	L	0.0000
99	G	L	0.0000
100	G	L	-0.9232
101	G	L	-0.8660
102	T	L	0.0000
103	K	L	-1.0873
104	L	L	0.0000
105	T	L	-0.3306
106	V	L	0.0000
106A	L	L	0.7049
107	G	L	-0.3585
108	Q	L	-0.7801
109	P	L	-1.1760
110	K	L	-2.2038
111	A	L	-1.3197
112	A	L	-0.6603
113	P	L	-0.3425
114	S	L	-0.4044
115	V	L	-0.3683
116	T	L	-0.3950
117	L	L	0.0000
118	F	L	0.0000
119	P	L	-0.2602
120	P	L	0.0000
121	S	L	-0.7504
122	S	L	-1.5680
123	E	L	-2.2022
124	E	L	0.0000
125	L	L	-1.8242
126	Q	L	-2.5506
127	A	L	-1.7496
128	N	L	-2.5642
129	K	L	-2.4608
130	A	L	0.0000
131	T	L	0.0000
132	L	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	I	L	0.0000
137	S	L	-0.5526
138	D	L	-1.1910
139	F	L	0.0000
140	Y	L	-1.1018
141	P	L	-0.8598
142	G	L	-0.7023
143	A	L	-0.2426
144	V	L	-0.1665
145	T	L	-0.1351
146	V	L	0.2199
147	A	L	-0.3769
148	W	L	0.0000
149	K	L	-0.9223
150	A	L	0.0000
151	D	L	-1.5275
152	S	L	-0.9803
153	S	L	-0.8318
154	P	L	-0.8759
155	V	L	-0.8124
156	K	L	-1.6077
157	A	L	-0.7413
158	G	L	-0.5030
159	V	L	-0.1761
160	E	L	-0.0789
161	T	L	0.1703
162	T	L	0.1310
163	T	L	-0.1162
164	P	L	-0.2713
165	S	L	-0.4704
166	K	L	-1.0127
167	Q	L	-1.2679
168	S	L	-1.4366
169	N	L	-2.1251
170	N	L	-1.8209
171	K	L	-1.7319
172	Y	L	-0.8358
173	A	L	0.0000
174	A	L	0.0000
175	S	L	0.0000
176	S	L	0.0000
177	Y	L	0.0000
178	L	L	0.0000
179	S	L	-0.4177
180	L	L	-1.0419
181	T	L	-1.7602
182	P	L	0.0000
183	E	L	-3.1477
184	Q	L	-2.3568
185	W	L	0.0000
186	K	L	-3.0554
187	S	L	-2.4128
188	H	L	-2.3785
189	K	L	-2.4366
190	S	L	-1.5793
191	Y	L	0.0000
192	S	L	0.0000
193	C	L	0.0000
194	Q	L	-0.6911
195	V	L	0.0000
196	T	L	-0.5431
197	H	L	0.0000
198	E	L	-2.2817
199	G	L	-1.4563
200	S	L	-0.7860
201	T	L	-0.3945
202	V	L	-0.0410
203	E	L	-1.4066
204	K	L	-1.5780
205	T	L	-1.0354
206	V	L	0.0000
207	A	L	-1.1849
208	P	L	-1.2557
209	T	L	-0.9477
210	E	L	-0.9836
211	C	L	-0.1890
1	E	H	-1.9661
2	V	H	-1.5101
3	Q	H	-1.5480
4	L	H	0.0000
5	V	H	0.4839
6	E	H	0.0000
7	S	H	-0.4862
8	G	H	-0.6703
9	A	H	-0.7040
10	E	H	-0.9557
11	V	H	-0.6905
12	K	H	-1.5894
13	K	H	-2.5034
14	P	H	-2.1599
15	G	H	-1.7421
16	S	H	-1.4482
17	S	H	-1.4816
18	V	H	0.0000
19	K	H	-1.8929
20	V	H	0.0000
21	S	H	-0.5792
22	C	H	0.0000
23	R	H	-1.6108
24	A	H	0.0000
25	S	H	-1.0523
26	G	H	-0.8753
27	T	H	-0.1484
28	F	H	-0.2845
29	Y	H	0.3280
30	K	H	-0.1035
31	Y	H	0.1445
32	A	H	0.0000
33	I	H	0.0000
34	N	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.6708
40	A	H	-1.1103
41	P	H	-1.0866
42	G	H	-1.2362
43	Q	H	-1.7611
44	G	H	-1.2450
45	L	H	0.0000
46	E	H	-0.7453
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
52A	P	H	0.0000
53	F	H	1.1662
54	F	H	1.0416
55	G	H	0.2320
56	T	H	0.1665
57	T	H	-0.0466
58	N	H	-0.5043
59	Y	H	-0.8316
60	A	H	-1.3050
61	Q	H	-2.3558
62	K	H	-2.6428
63	F	H	0.0000
64	Q	H	-2.2714
65	G	H	-1.4914
66	R	H	0.0000
67	L	H	0.0000
68	T	H	-0.6620
69	I	H	0.0000
70	T	H	-0.2620
71	A	H	-0.3714
72	D	H	-1.0074
73	G	H	-0.5790
74	S	H	-0.5898
75	T	H	-0.9377
76	N	H	-1.1291
77	T	H	0.0000
78	A	H	0.0000
79	Y	H	-0.5732
80	M	H	0.0000
81	Q	H	-1.2060
82	L	H	0.0000
82A	D	H	-1.3656
82B	S	H	-1.3059
82C	L	H	0.0000
83	R	H	-2.9186
84	S	H	-2.2698
85	E	H	-2.4638
86	D	H	0.0000
87	T	H	-0.9796
88	A	H	0.0000
89	V	H	0.2079
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	G	H	0.0000
95	P	H	0.0000
96	S	H	-0.2713
97	I	H	-0.0587
98	T	H	-0.7423
99	E	H	-1.6881
100	S	H	-1.3580
100A	H	H	-1.2847
100B	Y	H	-0.6672
100C	C	H	-0.2151
100D	L	H	0.9658
100E	D	H	-0.8286
100F	C	H	-0.4398
100G	A	H	-0.5103
100H	A	H	-0.8186
100I	K	H	-1.3232
100J	D	H	-1.4122
100K	Y	H	0.0000
100L	Y	H	-0.0519
100M	Y	H	0.2862
100N	G	H	0.0257
100O	L	H	0.0000
101	D	H	-0.9788
102	V	H	-1.0409
103	W	H	-0.3331
104	G	H	0.0000
105	Q	H	-0.6791
106	G	H	-0.1608
107	T	H	0.0000
108	T	H	-0.1960
109	V	H	0.0000
110	T	H	-0.8277
111	V	H	0.0000
112	S	H	-1.2026
113	S	H	-0.9516
114	A	H	-0.5307
115	S	H	-0.5623
116	T	H	-0.6449
117	K	H	-0.9977
118	G	H	-1.2273
119	P	H	-0.4800
120	S	H	-0.2026
121	V	H	0.0000
122	F	H	-0.4634
123	P	H	-0.7837
124	L	H	0.0000
125	A	H	-0.8429
126	P	H	0.0000
127	S	H	-0.4072
134	G	H	-0.6366
135	T	H	-0.4884
136	A	H	-0.2910
137	A	H	-0.1148
138	L	H	0.0000
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	0.0000
144	D	H	-0.1978
145	Y	H	0.0000
146	F	H	-0.0573
147	P	H	0.0000
148	E	H	-0.5001
149	P	H	-0.6781
150	V	H	-0.5437
151	T	H	-0.4736
152	V	H	-0.2664
153	S	H	-0.3148
154	W	H	0.0000
155	N	H	-0.7348
156	S	H	-0.6379
157	G	H	-0.4667
158	A	H	-0.2104
159	L	H	0.0257
160	T	H	-0.1705
161	S	H	-0.2559
162	G	H	-0.3553
163	V	H	0.1704
164	H	H	-0.1963
165	T	H	-0.0890
166	F	H	0.0000
167	P	H	-0.0590
168	A	H	0.2986
169	V	H	0.0000
170	L	H	1.3596
171	Q	H	0.4364
172	S	H	-0.0607
173	S	H	-0.1480
174	G	H	0.1152
175	L	H	0.2881
176	Y	H	0.5585
177	S	H	0.0000
178	L	H	0.0000
179	S	H	0.0000
180	S	H	0.0000
181	V	H	0.0000
182	V	H	0.0000
183	T	H	-0.2299
184	V	H	0.0000
185	P	H	-0.5374
186	S	H	-0.5210
187	S	H	-0.6162
188	S	H	-0.6399
189	L	H	-0.8318
190	G	H	-1.0202
191	T	H	-0.8530
192	Q	H	-1.5362
193	T	H	-1.1129
194	Y	H	0.0000
195	I	H	-0.8620
196	C	H	0.0000
197	N	H	-1.4075
198	V	H	0.0000
199	N	H	-1.7120
200	H	H	0.0000
201	K	H	-2.6974
202	P	H	-1.5778
203	S	H	-1.7270
204	N	H	-2.4806
205	T	H	-1.9973
206	K	H	-2.5982
207	V	H	-1.4785
208	D	H	-2.4165
209	K	H	-1.7477
210	K	H	-1.9600
211	V	H	0.0000
212	E	H	-2.4867
213	P	H	-1.2927
214	K	H	-1.4228
215	S	H	-1.3413
216	C	H	-0.7968
217	H	H	-1.6357
218	H	H	-2.3268
219	H	H	-2.4524
220	H	H	-2.8368
221	H	H	-2.6901
222	H	H	-1.9470