Project name: Leb-V85E

Chain sequence(s)	H: QVTLREESGPALVKPTQTLTLTCTVSGFSLSAYSVNWIRQPPGKALEWLAMIWGDGKIVYNSALKSRLTISKDTSKNQVVLTMTNMDPVDTATYYCAGDGYYPYAMDNWGQGSLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK; L: DIVMTQSPDSLSVSLGERATINCRASKSVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQNNEDPRTFGGGTKVEIKRTVAAPSVFIFPPSDEEQLKSGTASVVCLLNNFYPREAKVQQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACCEVTHQGLSSPVTKSFNRGEC
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]                                                (00:00:01)
[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                                          (00:08:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:22)

• Minimal score value: -3.625
• Maximal score value: 2.1989
• Average score: -0.7073
• Total score value: -309.1071

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	-1.0476
2	V	H	-0.2095
3	T	H	-0.6350
4	L	H	0.0000
5	R	H	-2.0322
6	E	H	-1.3108
7	S	H	-0.7267
8	G	H	-0.2471
9	P	H	-0.1115
10	A	H	-0.2674
11	L	H	-0.2293
12	V	H	0.0000
13	K	H	-2.4988
14	P	H	-1.8204
15	T	H	-2.0137
16	Q	H	-2.3344
17	T	H	-1.4324
18	L	H	0.0000
19	T	H	-0.1740
20	L	H	0.0000
21	T	H	-0.4095
22	C	H	0.0000
23	T	H	-1.1286
24	V	H	0.0000
25	S	H	-0.7202
26	G	H	-0.4726
27	F	H	0.1029
28	S	H	-0.1602
29	L	H	0.0000
30	S	H	-0.8435
31	A	H	-0.4372
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	-0.8741
40	P	H	-0.6586
41	P	H	-1.0348
42	G	H	-1.4404
43	K	H	-2.1942
44	A	H	-1.2109
45	L	H	0.0000
46	E	H	-0.7956
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	-0.8957
53	G	H	-1.2369
54	D	H	-2.2469
55	G	H	-1.7188
56	K	H	-1.7115
57	I	H	0.0718
58	V	H	0.0000
59	Y	H	-0.5228
60	N	H	-1.1965
61	S	H	-1.2571
62	A	H	-0.5412
63	L	H	-0.8704
64	K	H	-1.8633
65	S	H	-1.1660
66	R	H	-1.2067
67	L	H	0.0000
68	T	H	-0.2167
69	I	H	0.0000
70	S	H	-0.2052
71	K	H	-1.0689
72	D	H	-1.5826
73	T	H	-1.3511
74	S	H	-1.4759
75	K	H	-2.2791
76	N	H	-1.5921
77	Q	H	-1.4467
78	V	H	0.0000
79	V	H	0.0931
80	L	H	0.0000
81	T	H	-0.0316
82	M	H	0.0000
82A	T	H	-1.2528
82B	N	H	-2.2560
82C	M	H	0.0000
83	D	H	-1.3921
84	P	H	-0.2026
85	V	H	1.2812
86	D	H	0.0000
87	T	H	0.2697
88	A	H	0.0000
89	T	H	-0.1997
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	0.6105
97	Y	H	1.9264
98	Y	H	2.1989
99	P	H	0.0000
100	Y	H	1.3400
100A	A	H	0.0000
100B	M	H	0.0000
101	D	H	-1.3945
102	N	H	-0.9156
103	W	H	-1.1354
104	G	H	0.0000
105	Q	H	-1.8663
106	G	H	-1.2155
107	S	H	-0.6147
108	L	H	-0.1044
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-0.9641
113	S	H	-0.8812
114	A	H	-0.5381
115	S	H	-0.6587
116	T	H	-0.7160
117	K	H	-1.1819
118	G	H	-1.3802
119	P	H	-0.5762
120	S	H	-0.3445
121	V	H	-0.3425
122	F	H	0.0000
123	P	H	-1.0932
124	L	H	0.0000
125	A	H	0.0000
126	P	H	0.0000
127	C	H	-0.8785
128	S	H	-0.8671
129	R	H	-1.0260
130	S	H	-0.9263
131	T	H	-0.7109
132	S	H	-0.8806
133	E	H	-1.3663
134	S	H	-0.9410
135	T	H	-0.6876
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	-0.3237
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	0.0000
148	E	H	-0.3451
149	P	H	-0.6488
150	V	H	0.0000
151	T	H	-0.6774
152	V	H	-0.2465
153	S	H	-0.4891
154	W	H	0.0000
155	N	H	-1.0125
156	S	H	-0.8022
157	G	H	-0.6019
158	A	H	-0.2783
159	L	H	-0.1192
160	T	H	-0.2124
161	S	H	-0.2206
162	G	H	-0.3406
163	V	H	0.1275
164	H	H	-0.3083
165	T	H	-0.0181
166	F	H	0.0000
167	P	H	-0.3766
168	A	H	0.2142
169	V	H	0.6150
170	L	H	1.2784
171	Q	H	0.3950
172	S	H	-0.0268
173	S	H	-0.1723
174	G	H	0.1029
175	L	H	0.2367
176	Y	H	0.5218
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	-0.1350
184	V	H	0.0000
185	P	H	-0.5186
186	S	H	-0.6719
187	S	H	-0.6610
188	S	H	-0.7382
189	L	H	-0.8212
190	G	H	-1.1476
191	T	H	-1.0181
192	K	H	-1.7708
193	T	H	-1.6377
194	Y	H	0.0000
195	T	H	-1.9686
196	C	H	0.0000
197	N	H	-1.6459
198	V	H	0.0000
199	D	H	-2.0680
200	H	H	0.0000
201	K	H	-2.7552
202	P	H	-1.5383
203	S	H	-1.8066
204	N	H	-2.6065
205	T	H	-2.1015
206	K	H	-2.7477
207	V	H	-1.5031
208	D	H	-2.6710
209	K	H	-2.1691
210	R	H	-2.8693
211	V	H	0.0000
212	E	H	-2.7579
213	S	H	-1.8378
214	K	H	-2.5742
1	D	L	-2.3843
2	I	L	0.0000
3	V	L	0.6590
4	M	L	0.0000
5	T	L	-0.8490
6	Q	L	0.0000
7	S	L	-1.5701
8	P	L	-1.4224
9	D	L	-2.2055
10	S	L	-1.1871
11	L	L	-0.6634
12	S	L	-0.4670
13	V	L	-0.9374
14	S	L	-0.9051
15	L	L	0.0780
16	G	L	-0.9510
17	E	L	-2.3176
18	R	L	-2.5843
19	A	L	0.0000
20	T	L	-0.7365
21	I	L	0.0000
22	N	L	-1.9183
23	C	L	0.0000
24	R	L	-2.3971
25	A	L	0.0000
26	S	L	-1.1992
27	K	L	-2.3705
27A	S	L	-1.9196
27B	V	L	0.0000
27C	D	L	-1.3328
27D	S	L	-0.4649
28	Y	L	0.6023
29	G	L	-0.5444
30	N	L	-1.0724
31	S	L	-0.7704
32	F	L	-0.5407
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	-1.6217
40	P	L	-1.3453
41	G	L	-1.4991
42	Q	L	-1.8558
43	P	L	-1.4407
44	P	L	0.0000
45	K	L	-1.9038
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.2076
50	L	L	0.0941
51	A	L	0.0000
52	S	L	-0.5981
53	N	L	-0.6866
54	L	L	-0.4192
55	E	L	-0.9891
56	S	L	-0.7557
57	G	L	-0.8322
58	V	L	0.0000
59	P	L	-1.1928
60	D	L	-2.0555
61	R	L	-1.5907
62	F	L	0.0000
63	S	L	-0.7935
64	G	L	-0.5163
65	S	L	-0.9311
66	G	L	-1.3055
67	S	L	-1.3714
68	G	L	-1.5755
69	T	L	-1.8858
70	D	L	-2.3121
71	F	L	0.0000
72	T	L	-1.1579
73	L	L	0.0000
74	T	L	-0.7300
75	I	L	0.0000
76	S	L	-1.7265
77	S	L	-1.3828
78	L	L	0.0000
79	Q	L	-1.2873
80	A	L	-1.6308
81	E	L	-2.3302
82	D	L	0.0000
83	V	L	0.0000
84	A	L	0.0000
85	V	L	-0.3131
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	-1.2175
92	N	L	-2.0234
93	E	L	-3.4839
94	D	L	-3.1531
95	P	L	0.0000
96	R	L	0.0000
97	T	L	-0.5696
98	F	L	0.2264
99	G	L	0.0000
100	G	L	-0.8921
101	G	L	-1.0416
102	T	L	0.0000
103	K	L	-0.7772
104	V	L	0.0000
105	E	L	-0.9629
106	I	L	0.0000
107	K	L	-1.1831
108	R	L	-0.6161
109	T	L	0.1179
110	V	L	0.7318
111	A	L	0.1203
112	A	L	-0.0514
113	P	L	0.0000
114	S	L	-0.2240
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	-3.1107
123	E	L	-2.9454
124	Q	L	0.0000
125	L	L	-2.2397
126	K	L	-2.8106
127	S	L	-1.7158
128	G	L	-1.1840
129	T	L	-1.0040
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	-0.9665
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.6665
142	R	L	-3.0347
143	E	L	-3.2574
144	A	L	-2.3721
145	K	L	-2.4538
146	V	L	-1.1222
147	Q	L	-0.5177
148	W	L	0.0000
149	K	L	-0.5117
150	V	L	0.0000
151	D	L	-1.8426
152	N	L	-1.4770
153	A	L	-0.2299
154	L	L	0.7806
155	Q	L	-0.2391
156	S	L	-0.6551
157	G	L	-1.2240
158	N	L	-1.5287
159	S	L	-1.3188
160	Q	L	-1.1755
161	E	L	-1.6281
162	S	L	-0.7127
163	V	L	-0.7813
164	T	L	-1.0713
165	E	L	-2.0593
166	Q	L	0.0000
167	D	L	-2.1583
168	S	L	-2.3989
169	K	L	-2.6706
170	D	L	-1.9597
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	-0.6329
179	L	L	0.0000
180	T	L	-0.6354
181	L	L	-0.8992
182	S	L	-1.0922
183	K	L	-2.0778
184	A	L	-1.9385
185	D	L	-2.7038
186	Y	L	0.0000
187	E	L	-3.4831
188	K	L	-3.6250
189	H	L	-2.8885
190	K	L	-2.8165
191	V	L	-1.1125
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.8582
196	V	L	0.0000
197	T	L	-1.2318
198	H	L	0.0000
199	Q	L	-1.6728
200	G	L	-0.3028
201	L	L	-0.2046
202	S	L	-0.4820
203	S	L	-0.4267
204	P	L	-0.5650
205	V	L	-0.0091
206	T	L	-0.4567
207	K	L	-0.6988
208	S	L	-0.4810
209	F	L	0.0000
210	N	L	-1.3301
211	R	L	-2.2128
212	G	L	-1.8566
213	E	L	-2.2538
214	C	L	-0.5496