Project name: Leb-G96A-V85E-L154K

Chain sequence(s)	H: QVTLREESGPALVKPTQTLTLTCTVSGFSLSAYSVNWIRQPPGKALEWLAMIWGDGKIVYNSALKSRLTISKDTSKNQVVLTMTNMDPVDTATYYCAGDGYYPYAMDNWGQGSLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK; L: DIVMTQSPDSLSVSLGERATINCRASKSVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQNNEDPRTFGGGTKVEIKRTVAAPSVFIFPPSDEEQLKSGTASVVCLLNNFYPREAKVQQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACCEVTHQGLSSPVTKSFNRGEC
Selected Chain(s)	H,L
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:17)

• Minimal score value: -2.1954
• Maximal score value: 1.7728
• Average score: -0.2811
• Total score value: -122.8423

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	H	-1.1152
2	V	H	0.2042
3	T	H	0.0536
4	L	H	0.0000
5	R	H	-1.5843
6	E	H	-0.5383
7	S	H	-0.2796
8	G	H	-0.2062
9	P	H	-0.1399
10	A	H	0.0394
11	L	H	0.3010
12	V	H	0.0000
13	K	H	-1.7098
14	P	H	-0.3708
15	T	H	-0.5062
16	Q	H	-1.1547
17	T	H	-0.2643
18	L	H	0.0000
19	T	H	-0.0552
20	L	H	0.0000
21	T	H	0.0517
22	C	H	0.0000
23	T	H	-0.0538
24	V	H	0.0000
25	S	H	-0.1682
26	G	H	-0.3198
27	F	H	0.4330
28	S	H	-0.0820
29	L	H	0.0000
30	S	H	-0.2089
31	A	H	0.0131
32	Y	H	0.0000
33	S	H	0.0000
34	V	H	0.0000
35	N	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	R	H	0.0000
39	Q	H	-0.1468
40	P	H	-0.1076
41	P	H	-0.3454
42	G	H	-0.8195
43	K	H	-1.7809
44	A	H	-0.2853
45	L	H	0.0000
46	E	H	-0.4999
47	W	H	0.0000
48	L	H	0.0000
49	A	H	0.0000
50	M	H	0.0000
51	I	H	0.0000
52	W	H	0.1989
53	G	H	-0.3551
54	D	H	-1.8494
55	G	H	-0.9085
56	K	H	-1.5520
57	I	H	0.8000
58	V	H	0.0000
59	Y	H	0.1811
60	N	H	-0.1448
61	S	H	-0.1833
62	A	H	0.0579
63	L	H	-0.1357
64	K	H	-1.7092
65	S	H	-0.5800
66	R	H	-0.3833
67	L	H	0.0000
68	T	H	-0.0549
69	I	H	0.0000
70	S	H	-0.1997
71	K	H	-0.5228
72	D	H	-0.7568
73	T	H	-0.2563
74	S	H	-0.5329
75	K	H	-1.7759
76	N	H	-0.5770
77	Q	H	-0.3441
78	V	H	0.0000
79	V	H	0.5170
80	L	H	0.0000
81	T	H	-0.0242
82	M	H	0.0000
82A	T	H	-0.2573
82B	N	H	-1.2890
82C	M	H	0.0000
83	D	H	-1.1075
84	P	H	-0.1343
85	V	H	1.7286
86	D	H	0.0000
87	T	H	-0.0129
88	A	H	0.0000
89	T	H	0.0307
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	D	H	0.0000
96	G	H	0.1687
97	Y	H	1.5377
98	Y	H	1.6164
99	P	H	0.0000
100	Y	H	0.6792
100A	A	H	0.0000
100B	M	H	0.0000
101	D	H	-1.2715
102	N	H	-0.3968
103	W	H	0.0858
104	G	H	0.0000
105	Q	H	-1.2183
106	G	H	-0.3346
107	S	H	-0.0050
108	L	H	0.2474
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-0.0725
113	S	H	-0.2125
114	A	H	-0.0396
115	S	H	-0.2113
116	T	H	-0.2268
117	K	H	-0.9041
118	G	H	-0.2849
119	P	H	-0.0658
120	S	H	-0.0598
121	V	H	0.1666
122	F	H	0.0000
123	P	H	-0.0327
124	L	H	0.0000
125	A	H	0.0000
126	P	H	0.0000
127	C	H	0.1176
128	S	H	-0.2937
129	R	H	-0.6618
130	S	H	-0.2873
131	T	H	-0.1381
132	S	H	-0.3815
133	E	H	-0.9496
134	S	H	-0.3776
135	T	H	-0.1069
136	A	H	0.0000
137	A	H	0.0000
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	-0.3489
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	0.0000
148	E	H	-0.3700
149	P	H	-0.2255
150	V	H	0.0000
151	T	H	-0.0335
152	V	H	0.1813
153	S	H	-0.0213
154	W	H	0.0000
155	N	H	-0.3246
156	S	H	-0.3499
157	G	H	-0.4944
158	A	H	0.0119
159	L	H	0.2027
160	T	H	-0.0716
161	S	H	-0.2746
162	G	H	-0.2457
163	V	H	0.2883
164	H	H	-0.0467
165	T	H	-0.0492
166	F	H	0.0000
167	P	H	-0.2241
168	A	H	0.0339
169	V	H	0.5835
170	L	H	1.3391
171	Q	H	0.0670
172	S	H	-0.2738
173	S	H	-0.2852
174	G	H	-0.1788
175	L	H	0.2396
176	Y	H	0.4341
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	-0.0096
184	V	H	0.0000
185	P	H	-0.2756
186	S	H	-0.1733
187	S	H	-0.2335
188	S	H	-0.0039
189	L	H	0.2501
190	G	H	-0.4169
191	T	H	-0.4446
192	K	H	-1.6748
193	T	H	-0.3310
194	Y	H	0.0000
195	T	H	-0.3076
196	C	H	0.0000
197	N	H	-0.3850
198	V	H	0.0000
199	D	H	-0.6424
200	H	H	0.0000
201	K	H	-1.8639
202	P	H	-0.3524
203	S	H	-0.2977
204	N	H	-1.4969
205	T	H	-0.5508
206	K	H	-1.6904
207	V	H	-0.2716
208	D	H	-1.7879
209	K	H	-0.9174
210	R	H	-1.8919
211	V	H	0.0000
212	E	H	-1.8297
213	S	H	-0.6847
214	K	H	-1.7094
1	D	L	-1.7894
2	I	L	0.0000
3	V	L	1.7728
4	M	L	0.0000
5	T	L	-0.0576
6	Q	L	0.0000
7	S	L	-0.2615
8	P	L	-0.5539
9	D	L	-1.8475
10	S	L	-0.4745
11	L	L	0.1214
12	S	L	-0.1531
13	V	L	0.1566
14	S	L	0.0627
15	L	L	1.4543
16	G	L	-0.4069
17	E	L	-1.9072
18	R	L	-2.1301
19	A	L	0.0000
20	T	L	-0.0729
21	I	L	0.0000
22	N	L	-0.9189
23	C	L	0.0000
24	R	L	-1.7318
25	A	L	0.0000
26	S	L	-0.4752
27	K	L	-1.7694
27A	S	L	-0.5312
27B	V	L	0.0000
27C	D	L	-0.5771
27D	S	L	0.0438
28	Y	L	1.2140
29	G	L	-0.4189
30	N	L	-1.1325
31	S	L	-0.2495
32	F	L	0.2007
33	M	L	0.0000
34	H	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	-0.6362
40	P	L	-0.3797
41	G	L	-0.6656
42	Q	L	-0.9968
43	P	L	-0.2066
44	P	L	0.0000
45	K	L	-1.3588
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.3256
50	L	L	0.3099
51	A	L	0.0000
52	S	L	-0.3811
53	N	L	-0.8020
54	L	L	0.4275
55	E	L	-0.2921
56	S	L	-0.3654
57	G	L	-0.5052
58	V	L	0.0000
59	P	L	-0.4320
60	D	L	-1.8695
61	R	L	-0.6587
62	F	L	0.0000
63	S	L	-0.1762
64	G	L	-0.1558
65	S	L	-0.2922
66	G	L	-0.4547
67	S	L	-0.2948
68	G	L	-0.1370
69	T	L	-0.2506
70	D	L	-1.4282
71	F	L	0.0000
72	T	L	-0.1275
73	L	L	0.0000
74	T	L	-0.0253
75	I	L	0.0000
76	S	L	-0.3240
77	S	L	-0.4961
78	L	L	0.0000
79	Q	L	-0.4466
80	A	L	-0.3229
81	E	L	-1.4319
82	D	L	0.0000
83	V	L	0.0000
84	A	L	0.0000
85	V	L	0.2678
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	N	L	-0.2471
92	N	L	-0.5999
93	E	L	-2.1954
94	D	L	-2.1283
95	P	L	0.0000
96	R	L	0.0000
97	T	L	0.0237
98	F	L	0.1881
99	G	L	0.0000
100	G	L	-0.4763
101	G	L	-0.1397
102	T	L	0.0000
103	K	L	-0.2431
104	V	L	0.0000
105	E	L	-0.3266
106	I	L	0.0000
107	K	L	-1.2848
108	R	L	-0.7619
109	T	L	0.1047
110	V	L	1.4658
111	A	L	0.2823
112	A	L	0.0022
113	P	L	0.0000
114	S	L	-0.1675
115	V	L	0.0000
116	F	L	0.0000
117	I	L	0.0000
118	F	L	0.0000
119	P	L	0.0000
120	P	L	0.0000
121	S	L	0.0000
122	D	L	-2.0652
123	E	L	-1.8608
124	Q	L	0.0000
125	L	L	-0.1019
126	K	L	-1.7014
127	S	L	-0.5542
128	G	L	-0.3288
129	T	L	-0.1458
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	-0.5089
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-0.3722
142	R	L	-2.1280
143	E	L	-2.1424
144	A	L	-0.6356
145	K	L	-1.6652
146	V	L	-0.1800
147	Q	L	-0.1711
148	W	L	0.0000
149	K	L	-0.1171
150	V	L	0.0000
151	D	L	-1.0878
152	N	L	-1.4263
153	A	L	0.1027
154	L	L	1.4746
155	Q	L	-0.0129
156	S	L	-0.3442
157	G	L	-0.7062
158	N	L	-1.2170
159	S	L	-0.3306
160	Q	L	-0.5323
161	E	L	-1.6519
162	S	L	-0.2701
163	V	L	0.2711
164	T	L	-0.2340
165	E	L	-1.5025
166	Q	L	0.0000
167	D	L	-0.6135
168	S	L	-0.7755
169	K	L	-1.8413
170	D	L	-0.9052
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	-0.0082
179	L	L	0.0000
180	T	L	0.0134
181	L	L	0.1227
182	S	L	-0.2188
183	K	L	-0.7070
184	A	L	-0.3110
185	D	L	-1.3843
186	Y	L	0.0000
187	E	L	-1.8713
188	K	L	-2.0467
189	H	L	-0.9241
190	K	L	-1.3865
191	V	L	0.1068
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.3888
196	V	L	0.0000
197	T	L	-0.0782
198	H	L	0.0000
199	Q	L	-1.2287
200	G	L	-0.3350
201	L	L	0.1805
202	S	L	-0.2059
203	S	L	-0.2937
204	P	L	-0.2068
205	V	L	0.3762
206	T	L	-0.1241
207	K	L	-0.6385
208	S	L	-0.2989
209	F	L	0.0000
210	N	L	-0.1326
211	R	L	-0.6511
212	G	L	-0.8930
213	E	L	-1.7726
214	C	L	0.3865