Project name: Kal [mutate: MI104C]

Chain sequence(s)	C: EVQLVESGGGLVQPGGSLRLSCAASGFNFSYYSIHWVRQAPGKGLEWVASIYSYSGYTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARSDTQGMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSSTGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
Selected Chain(s)	C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	MI104C
Energy difference between WT (input) and mutated protein (by FoldX)	2.04506 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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 C chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:54)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:59)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -2.933
• Maximal score value: 2.4742
• Average score: -0.5312
• Total score value: -116.874

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	C	-2.1913
2	V	C	-1.4124
3	Q	C	-1.3459
4	L	C	0.0000
5	V	C	0.7977
6	E	C	0.0000
7	S	C	-0.3803
8	G	C	-0.9369
9	G	C	-0.3562
10	G	C	-0.2065
11	L	C	0.0064
12	V	C	0.0000
13	Q	C	-1.7633
14	P	C	-1.9632
15	G	C	-1.5838
16	G	C	-1.2252
17	S	C	-1.3909
18	L	C	-1.2491
19	R	C	-2.2900
20	L	C	0.0000
21	S	C	-0.5370
22	C	C	0.0000
23	A	C	-0.2236
24	A	C	0.0000
25	S	C	-1.2871
26	G	C	-1.6184
27	F	C	-1.0357
28	N	C	-1.0919
29	F	C	0.0000
30	S	C	0.7131
31	Y	C	1.4690
32	Y	C	0.6957
33	S	C	0.6255
34	I	C	0.0000
35	H	C	0.4548
36	W	C	0.0000
37	V	C	0.0000
38	R	C	0.0000
39	Q	C	-0.4882
40	A	C	-1.1266
41	P	C	-1.0705
42	G	C	-1.4197
43	K	C	-2.0913
44	G	C	-0.9570
45	L	C	0.6147
46	E	C	-0.1035
47	W	C	0.6431
48	V	C	0.0000
49	A	C	0.0000
50	S	C	0.0000
51	I	C	0.0000
52	Y	C	1.3902
53	S	C	1.0062
54	Y	C	1.7984
55	S	C	0.8565
56	G	C	0.5532
57	Y	C	1.6356
58	T	C	1.2425
59	Y	C	1.3610
60	Y	C	-0.0115
61	A	C	-0.9509
62	D	C	-2.3413
63	S	C	-1.7327
64	V	C	0.0000
65	K	C	-2.4669
66	G	C	-1.7889
67	R	C	-1.6680
68	F	C	0.0000
69	T	C	-0.8776
70	I	C	0.0000
71	S	C	-0.3079
72	A	C	-0.6495
73	D	C	-1.5452
74	T	C	-1.2232
75	S	C	-1.5255
76	K	C	-2.3427
77	N	C	-1.7084
78	T	C	0.0000
79	A	C	0.0000
80	Y	C	0.0000
81	L	C	0.0000
82	Q	C	-1.6914
83	M	C	0.0000
84	N	C	-1.5008
85	S	C	-1.3704
86	L	C	0.0000
87	R	C	-2.9330
88	A	C	-2.0185
89	E	C	-2.4495
90	D	C	0.0000
91	T	C	-0.8599
92	A	C	0.0000
93	V	C	0.3478
94	Y	C	0.0000
95	Y	C	0.4331
96	C	C	0.0000
97	A	C	0.0000
98	R	C	0.0000
99	S	C	-0.8410
100	D	C	-1.3515
101	T	C	-1.4336
102	Q	C	-2.0096
103	G	C	-1.5044
104	I	C	-0.7463	mutated: MI104C
105	D	C	-1.7366
106	Y	C	-0.4526
107	W	C	0.1062
108	G	C	-0.0789
109	Q	C	-0.8487
110	G	C	-0.1228
111	T	C	0.1278
112	L	C	0.3306
113	V	C	0.0000
114	T	C	-0.5117
115	V	C	0.0000
116	S	C	-0.8829
117	S	C	-0.7254
118	A	C	-0.4849
119	S	C	-0.6404
120	T	C	-0.7840
121	K	C	-1.4213
122	G	C	-1.6551
123	P	C	0.0000
124	S	C	-0.1606
125	V	C	0.0000
126	F	C	1.0048
127	P	C	-0.0582
128	L	C	0.3151
129	A	C	-0.6607
130	P	C	-1.1023
131	S	C	-1.2354
132	S	C	-1.5544
133	K	C	-2.0204
134	S	C	-1.2604
135	S	C	-1.2002
136	T	C	-0.8937
137	G	C	-0.8621
138	G	C	-0.9119
139	T	C	-0.6268
140	A	C	-0.3906
141	A	C	0.1166
142	L	C	0.0000
143	G	C	0.0000
144	C	C	0.0000
145	L	C	0.7565
146	V	C	0.0000
147	K	C	-0.2392
148	D	C	-0.8207
149	Y	C	0.0000
150	F	C	0.0000
151	P	C	0.0000
152	E	C	-0.5401
153	P	C	-0.7786
154	V	C	-0.8540
155	T	C	-0.7579
156	V	C	-0.4558
157	S	C	-0.3624
158	W	C	0.0000
159	N	C	-0.6622
160	S	C	-0.5695
161	G	C	-0.4509
162	A	C	-0.2067
163	L	C	0.0283
164	T	C	-0.2745
165	S	C	-0.3627
166	G	C	-0.4651
167	V	C	0.0373
168	H	C	-0.4027
169	T	C	0.2179
170	F	C	0.9958
171	P	C	0.7446
172	A	C	1.2398
173	V	C	2.4742
174	L	C	2.0059
175	Q	C	0.6053
176	S	C	0.0311
177	S	C	-0.3034
178	G	C	0.0822
179	L	C	0.0980
180	Y	C	0.6932
181	S	C	0.0000
182	L	C	0.0000
183	S	C	0.6912
184	S	C	0.0000
185	V	C	0.4632
186	V	C	0.0000
187	T	C	-0.2557
188	V	C	0.0000
189	P	C	-0.6282
190	S	C	-0.5969
191	S	C	-0.6351
192	S	C	-0.6038
193	L	C	-0.7499
194	G	C	-0.9445
195	T	C	-0.6706
196	Q	C	-1.1295
197	T	C	-1.0349
198	Y	C	0.0000
199	I	C	-1.0758
200	C	C	0.0000
201	N	C	-1.4198
202	V	C	0.0000
203	N	C	-2.3572
204	H	C	0.0000
205	K	C	-2.9188
206	P	C	-1.6932
207	S	C	-1.9870
208	N	C	-2.5479
209	T	C	-2.2289
210	K	C	-2.7920
211	V	C	-1.3904
212	D	C	-2.1643
213	K	C	-1.6478
214	K	C	-2.2672
215	V	C	0.0000
216	E	C	-2.8328
217	P	C	-2.0039
218	K	C	-2.1986
219	S	C	-1.0828
220	C	C	0.1584