Project name: Nivo K57Q [mutate: KQ57H] [mutate: QT57H]

Chain sequence(s)	H: VQLVESGGGVVQPGRSLRLDCKASGITFSNSGMHWVRQAPGKGLEWVAVIWYDGSQRYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCATNDDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDK; L: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQSSNWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	QT57H
Energy difference between WT (input) and mutated protein (by FoldX)	0.141941 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:01:21)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:25)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:49)

• Minimal score value: -3.8074
• Maximal score value: 1.4407
• Average score: -0.7529
• Total score value: -315.463

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	E	L	-1.6808
2	I	L	0.0000
3	V	L	0.5839
4	L	L	0.0000
5	T	L	-0.7219
6	Q	L	0.0000
7	S	L	-0.7353
8	P	L	-0.2971
9	A	L	-0.4086
10	T	L	-0.3900
11	L	L	-0.3103
12	S	L	-0.7453
13	L	L	-1.1160
14	S	L	-1.4947
15	P	L	-1.6929
16	G	L	-1.6961
17	E	L	-2.4140
18	R	L	-2.5679
19	A	L	0.0000
20	T	L	-0.6535
21	L	L	0.0000
22	S	L	-0.8837
23	C	L	0.0000
24	R	L	-2.4051
25	A	L	0.0000
26	S	L	-1.0799
27	Q	L	-1.7510
28	S	L	-1.2266
29	V	L	0.0000
30	S	L	-0.5668
31	S	L	-0.4516
32	Y	L	0.2953
33	L	L	0.0000
34	A	L	-0.2642
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	K	L	-1.2817
40	P	L	-1.2300
41	G	L	-1.3296
42	Q	L	-1.9534
43	A	L	-1.2008
44	P	L	0.0000
45	R	L	-0.9641
46	L	L	-0.5247
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.9876
50	D	L	-1.7167
51	A	L	0.0000
52	S	L	-1.4026
53	N	L	-2.0713
54	R	L	-1.7635
55	A	L	-1.2711
56	T	L	-0.6313
57	G	L	-0.6393
58	I	L	0.0000
59	P	L	-0.4510
60	A	L	-0.4023
61	R	L	-0.8110
62	F	L	0.0000
63	S	L	-0.6770
64	G	L	0.0000
65	S	L	-1.0153
66	G	L	-1.2943
67	S	L	-1.0998
68	G	L	-1.0846
69	T	L	-1.8599
70	D	L	-2.3749
71	F	L	0.0000
72	T	L	-0.7831
73	L	L	0.0000
74	T	L	-0.6029
75	I	L	0.0000
76	S	L	-1.3996
77	S	L	-1.6694
78	L	L	0.0000
79	E	L	-1.8921
80	P	L	-2.1099
81	E	L	-2.2806
82	D	L	0.0000
83	F	L	0.0000
84	A	L	0.0000
85	V	L	-0.4337
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	-0.4913
92	S	L	-0.4907
93	N	L	-1.3205
94	W	L	-0.5419
95	P	L	-0.9285
96	R	L	-0.6811
97	T	L	-0.5034
98	F	L	-0.1722
99	G	L	0.0000
100	Q	L	-1.4911
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.0337
104	V	L	0.0000
105	E	L	-1.1268
106	I	L	0.0000
107	K	L	-1.2969
108	R	L	-0.9252
109	T	L	-0.1007
110	V	L	0.1777
111	A	L	-0.1593
112	A	L	-0.1807
113	P	L	0.0000
114	S	L	-0.2298
115	V	L	0.0000
116	F	L	0.1226
117	I	L	0.0594
118	F	L	0.0000
119	P	L	-0.6984
120	P	L	-0.6514
121	S	L	-1.4325
122	D	L	-2.6076
123	E	L	-2.4934
124	Q	L	0.0000
125	L	L	-1.8908
126	K	L	-2.6532
127	S	L	-1.5587
128	G	L	-1.3382
129	T	L	-0.9748
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	-0.4261
138	N	L	-0.9459
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.8006
142	R	L	-3.1620
143	E	L	-3.2641
144	A	L	-2.3677
145	K	L	-2.4077
146	V	L	-1.2719
147	Q	L	-0.5997
148	W	L	0.0000
149	K	L	-0.6664
150	V	L	0.0000
151	D	L	-1.9650
152	N	L	-1.4960
153	A	L	-0.3801
154	L	L	0.6498
155	Q	L	-0.2279
156	S	L	-0.5546
157	G	L	-1.0203
158	N	L	-1.0803
159	S	L	-1.0625
160	Q	L	-0.9637
161	E	L	-1.4528
162	S	L	-0.6156
163	V	L	-0.7828
164	T	L	0.0000
165	E	L	-2.1470
166	Q	L	0.0000
167	D	L	-1.9303
168	S	L	-2.1979
169	K	L	-2.6025
170	D	L	-1.8816
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	-0.5254
179	L	L	0.0000
180	T	L	-0.3543
181	L	L	-0.4590
182	S	L	-1.0069
183	K	L	-2.0258
184	A	L	-1.7213
185	D	L	-2.2410
186	Y	L	0.0000
187	E	L	-3.8074
188	K	L	-3.5922
189	H	L	-3.3559
190	K	L	-3.4329
191	V	L	-2.0034
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.9103
196	V	L	0.0000
197	T	L	-1.1836
198	H	L	-1.5784
199	Q	L	-1.7573
200	G	L	-0.4441
201	L	L	-0.1980
202	S	L	-0.4292
203	S	L	-0.4223
204	P	L	-0.4412
205	V	L	-0.1081
206	T	L	-0.5068
207	K	L	-0.7011
208	S	L	-0.7196
209	F	L	0.0000
210	N	L	-2.5455
211	R	L	-3.4653
2	V	H	1.1384
3	Q	H	-0.6377
4	L	H	0.0000
5	V	H	-0.8592
6	E	H	0.0000
7	S	H	-1.0648
8	G	H	-1.0706
9	G	H	-0.5963
10	G	H	-0.4394
11	V	H	-0.1747
12	V	H	0.0000
13	Q	H	-1.9010
14	P	H	-2.2850
15	G	H	-2.2923
16	R	H	-2.8166
17	S	H	-1.9375
18	L	H	-1.5057
19	R	H	-2.1515
20	L	H	0.0000
21	D	H	-1.4910
22	C	H	0.0000
23	K	H	-2.4939
24	A	H	0.0000
25	S	H	-0.6263
26	G	H	-0.0119
27	I	H	0.1083
28	T	H	-0.3068
29	F	H	0.0000
30	S	H	-1.3812
31	N	H	-1.3502
32	S	H	-1.0961
33	G	H	-0.9998
34	M	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	-0.9015
40	A	H	-1.2111
41	P	H	-0.9585
42	G	H	-1.4748
43	K	H	-2.4502
44	G	H	-1.7427
45	L	H	0.0000
46	E	H	-1.6045
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	V	H	0.0000
51	I	H	0.0000
52	W	H	-0.4032
53	Y	H	-0.6621
54	D	H	-1.7912
55	G	H	-1.0888
56	S	H	-0.7993
57	T	H	-0.5463	mutated: QT57H
58	R	H	-0.5133
59	Y	H	-0.0391
60	Y	H	-0.7187
61	A	H	-1.2536
62	D	H	-2.4273
63	S	H	-1.6499
64	V	H	0.0000
65	K	H	-2.5403
66	G	H	-1.7841
67	R	H	-1.6160
68	F	H	0.0000
69	T	H	-0.8297
70	I	H	0.0000
71	S	H	-0.6314
72	R	H	-1.2100
73	D	H	-1.8412
74	N	H	-2.1526
75	S	H	-1.6060
76	K	H	-2.7107
77	N	H	-2.3881
78	T	H	0.0000
79	L	H	0.0000
80	F	H	-0.7911
81	L	H	0.0000
82	Q	H	-1.1913
83	M	H	0.0000
84	N	H	-1.9464
85	S	H	-1.8578
86	L	H	0.0000
87	R	H	-2.9835
88	A	H	-1.8736
89	E	H	-2.3851
90	D	H	0.0000
91	T	H	-0.7669
92	A	H	0.0000
93	V	H	0.2989
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	T	H	0.0000
99	N	H	-1.9984
100	D	H	-2.2972
101	D	H	-1.2947
102	Y	H	-0.1351
103	W	H	-0.3843
104	G	H	0.0000
105	Q	H	-1.4343
106	G	H	0.0000
107	T	H	-0.1871
108	L	H	0.2666
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-0.6990
113	S	H	-0.7781
114	A	H	-0.4262
115	S	H	-0.6190
116	T	H	-1.0190
117	K	H	-1.5152
118	G	H	-1.5966
119	P	H	-0.8244
120	S	H	-0.5857
121	V	H	0.0000
122	F	H	0.0000
123	P	H	-0.8019
124	L	H	0.0000
125	A	H	-0.2421
126	P	H	-0.5290
127	S	H	-0.9138
128	S	H	-1.2316
129	K	H	-2.0331
130	S	H	-1.3111
131	T	H	-1.0538
132	S	H	-0.7714
133	G	H	-0.8488
134	G	H	-0.8918
135	T	H	-0.5899
136	A	H	0.0000
137	A	H	0.0000
138	L	H	0.3476
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	-0.4321
144	D	H	-0.6672
145	Y	H	0.0000
146	F	H	-0.3792
147	P	H	0.0000
148	E	H	-0.6246
149	P	H	-0.7737
150	V	H	0.0000
151	T	H	-0.6225
152	V	H	-0.4209
153	S	H	-0.4417
154	W	H	0.0000
155	N	H	-0.4666
156	S	H	-0.6512
157	G	H	-0.5911
158	A	H	-0.2417
159	L	H	0.0199
160	T	H	-0.1983
161	S	H	-0.2147
162	G	H	-0.2875
163	V	H	0.1524
164	H	H	-0.3428
165	T	H	-0.1548
166	F	H	0.0000
167	P	H	-0.2773
168	A	H	0.2280
169	V	H	0.6919
170	L	H	1.4407
171	Q	H	0.3621
172	S	H	-0.0609
173	S	H	-0.2446
174	G	H	0.0388
175	L	H	0.0827
176	Y	H	0.3352
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	-0.1165
184	V	H	0.0000
185	P	H	-0.5842
186	S	H	-0.8620
187	S	H	-0.7971
188	S	H	-0.5387
189	L	H	-0.6966
190	G	H	-0.9048
191	T	H	-0.6503
192	Q	H	-0.8937
193	T	H	-0.3314
194	Y	H	-0.1403
195	I	H	-0.2960
196	C	H	0.0000
197	N	H	-1.4466
198	V	H	0.0000
199	N	H	-1.8666
200	H	H	0.0000
201	K	H	-2.7001
202	P	H	-1.5887
203	S	H	-1.8414
204	N	H	-2.5744
205	T	H	-2.1350
206	K	H	-2.6520
207	V	H	-1.5865
208	D	H	-2.3625
209	K	H	-1.4159