Project name: Mutant_aggregation

Chain sequence(s)	A: KKPAAHLIGDPSKQNSLLWRANTDRAFLQDGFSLSNNSLLVPTSGIYFVYSQVVFSPLYLAHEVQLFSSQYPFHVPLLSSQKMVYPGLQEPWLHSMYHGAAFQLTQGDQLSTHTDGIPHLVLSPSTVFFGAFAL; B: LPAAHLIGAPLKGLGWETTKEQAFLTSGTQFSDAEGLALPQDGLYYLYCLVGYRGRAPQGRSVTLRSSLTPELLLEGAETVTPWYTSVGFGGLVQLRRGERVYVNISHPDMVDFARGKTFFGAVMV; D: LPAAHLIGAPLKGQGLGWETTKEQAFLTSGTQFSDAEGLALPQDGLYYLYCLVGYRGRAPPQGRSVTLRSSLYGPGTPELLLEGAETVTPPLWYTSVGFGGLVQLRRGERVYVNISHPDMVDFARGKTFFGAVMV; H: EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYVIHWVRQAPGKGLEWVGYNNPYNAGTNYNEKFKGRFTISSDKSKNTAYLQMNSLRAEDTAVYYCSRPTMLPWFAYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP; L: DIQMTQSPSSLSASVGDRVTITCRASQAVSSAVAWYQQKPGKAPKLLIYSASHRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQESYSTPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR; S: CRDQEKEYYEPQHRICCSRCPPGTYVSAKCSRIRDTVCATCAENSYNEHWNYLTICQLCRPCDPVEIAPCTSKRKTQCR; R: CRDQEKEYYEPQHRICCSRCPPGTYVSAKCSRIRDTVCATCAENSYNEHWNYLTICQLCRPCDPVEIAPCTSKRKTQCRCCCTHCELLSDCPPGTEAVGKGNNHCVPCKAGHFQNTSSPSARCQPHTRCENQGLVEAAPGTAQSDTTCK; W: EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYVIHWVRQAPGKGLEWVGYNNPYNAGTNYNEKFKGRFTISSDKSKNTAYLQMNSLRAEDTAVYYCSRPTMLPWFAYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK; V: DIQMTQSPSSLSASVGDRVTITCRASQAVSSAVAWYQQKPGKAPKLLIYSASHRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQESYSTPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR; Y: LPAAHLIGAPLKGLGWETTKEQAFLTSGTQFSDAEGLALPQDGLYYLYCLVGYRGRAPQGRSVTLRSSLTPELLLEGAETVTPPLWYTSVGFGGLVQLRRGERVYVNISHPDMVDFARGKTFFGAVMVGHH; X: KKPAAHLIGDPSKQNSLLWRANTDRAFLQDGFSLSNNSLLVPTSGIYFVYSQVVFSPLYLAHEVQLFSSQYPFHVPLLSSQKMVYPGLQEPWLHSMYHGAAFQLTQGDQLSTHTDGIPHLVLSPSTVFFGAFAL; Z: LPAAHLIGAPLKGQGLGWETTKEQAFLTSGTQFSDAEGLALPQDGLYYLYCLVGYRGRAPQGRSVTLRSSLYGPGTPELLLEGAETVTPPLWYTSVGFGGLVQLRRGERVYVNISHPDMVDFARGKTFFGAVMV
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	YD136C
Energy difference between WT (input) and mutated protein (by FoldX)	3.37846 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -2.5459
• Maximal score value: 1.8482
• Average score: -0.2571
• Total score value: -480.3415

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
43	C	S	0.3987
44	R	S	-2.0439
45	D	S	-2.3542
46	Q	S	-1.8668
47	E	S	-2.3535
48	K	S	-2.1285
49	E	S	-0.8301
50	Y	S	0.0000
51	Y	S	1.3317
52	E	S	0.0000
53	P	S	-0.4739
54	Q	S	-1.3315
55	H	S	-1.0265
56	R	S	-1.7196
57	I	S	0.8157
58	C	S	0.5242
59	C	S	0.0945
60	S	S	-0.1034
61	R	S	0.0000
62	C	S	0.0000
63	P	S	-0.0675
64	P	S	-0.0741
65	G	S	0.0000
66	T	S	0.0441
67	Y	S	0.3256
68	V	S	0.0000
69	S	S	-0.2106
70	A	S	0.0029
71	K	S	-0.3557
72	C	S	0.0000
73	S	S	-0.5597
74	R	S	-1.4789
75	I	S	1.4570
76	R	S	-1.0975
77	D	S	-1.8939
78	T	S	0.0000
79	V	S	0.9131
80	C	S	0.3520
81	A	S	0.0371
82	T	S	-0.0693
83	C	S	0.0000
84	A	S	-0.2949
85	E	S	-2.0452
86	N	S	-1.6020
87	S	S	0.0000
88	Y	S	0.0000
89	N	S	0.0000
90	E	S	-1.2300
91	H	S	-0.8737
92	W	S	0.1446
93	N	S	-0.0023
94	Y	S	0.5132
95	L	S	0.4080
96	T	S	0.0877
97	I	S	0.5286
98	C	S	0.0000
99	Q	S	-0.1526
100	L	S	0.0000
101	C	S	-0.1268
102	R	S	-0.3186
103	P	S	-0.2727
104	C	S	-0.0318
105	D	S	-0.9364
106	P	S	-0.0960
107	V	S	1.7253
112	E	S	-1.3858
113	I	S	1.6739
114	A	S	0.3755
115	P	S	-0.1861
116	C	S	0.0700
117	T	S	-0.0326
118	S	S	-0.3783
119	K	S	-2.0516
120	R	S	-2.3273
121	K	S	-1.1825
122	T	S	-0.3201
123	Q	S	-0.8978
124	C	S	-0.4318
125	R	S	-1.7814
1	D	V	-1.7894
2	I	V	0.0000
3	Q	V	-1.1983
4	M	V	0.0000
5	T	V	-0.0702
6	Q	V	0.0000
7	S	V	-0.2220
8	P	V	-0.1274
9	S	V	-0.2497
10	S	V	-0.3669
11	L	V	0.1858
12	S	V	-0.2458
13	A	V	0.0000
14	S	V	0.0621
15	V	V	1.6694
16	G	V	-0.3908
17	D	V	-1.7358
18	R	V	-2.1082
19	V	V	0.0000
20	T	V	-0.0722
21	I	V	0.0000
22	T	V	-0.0276
23	C	V	0.0000
24	R	V	-1.9199
25	A	V	0.0000
26	S	V	-0.3282
27	Q	V	-0.6579
28	A	V	-0.1104
29	V	V	0.0000
30	S	V	-0.0644
31	S	V	-0.1181
32	A	V	-0.0194
33	V	V	0.0000
34	A	V	0.0000
35	W	V	0.0000
36	Y	V	0.0000
37	Q	V	0.0000
38	Q	V	0.0000
39	K	V	-0.4537
40	P	V	-0.2379
41	G	V	-0.8024
42	K	V	-1.7868
43	A	V	-0.3009
44	P	V	0.0000
45	K	V	-0.8458
46	L	V	0.0000
47	L	V	0.0000
48	I	V	0.0000
49	Y	V	0.0000
50	S	V	-0.0401
51	A	V	0.0000
52	S	V	-0.3482
53	H	V	-1.2197
54	R	V	-1.3230
55	Y	V	-0.0203
56	T	V	-0.1187
57	G	V	-0.4797
58	V	V	0.0000
59	P	V	-0.1077
60	S	V	-0.2914
61	R	V	-0.3982
62	F	V	0.0000
63	S	V	-0.0908
64	G	V	-0.1270
65	S	V	-0.2558
66	G	V	-0.2618
67	S	V	-0.2624
68	G	V	-0.1320
69	T	V	-0.1603
70	D	V	-0.8431
71	F	V	0.0000
72	T	V	-0.0186
73	L	V	0.0000
74	T	V	-0.0192
75	I	V	0.0000
76	S	V	-0.4472
77	S	V	-0.2989
78	L	V	0.0000
79	Q	V	-0.5645
80	P	V	-0.2881
81	E	V	-0.8272
82	D	V	0.0000
83	F	V	0.2066
84	A	V	0.0000
85	T	V	0.0000
86	Y	V	0.0000
87	Y	V	0.0000
88	C	V	0.0000
89	Q	V	0.0000
90	E	V	0.0000
91	S	V	0.0000
92	Y	V	0.0000
93	S	V	-0.0279
94	T	V	-0.0222
95	P	V	-0.0333
96	W	V	0.0000
97	T	V	-0.0104
98	F	V	0.0000
99	G	V	0.0000
100	Q	V	-1.1983
101	G	V	0.0000
102	T	V	0.0000
103	K	V	-1.7196
104	V	V	0.0000
105	E	V	-0.9460
106	I	V	0.0000
107	K	V	-1.3802
108	R	V	-0.9311
109	T	V	-0.0039
110	V	V	1.0470
111	A	V	0.2216
112	A	V	0.0028
113	P	V	0.0000
114	S	V	-0.2052
115	V	V	0.0000
116	F	V	0.3983
117	I	V	0.2707
118	F	V	0.0000
119	P	V	-0.0497
120	P	V	0.0000
121	S	V	-0.3479
122	D	V	-1.8868
123	E	V	-0.9350
124	Q	V	0.0000
125	L	V	-0.3088
126	K	V	-1.7048
127	S	V	-0.5624
128	G	V	-0.2687
129	T	V	-0.1950
130	A	V	0.0000
131	S	V	0.0000
132	V	V	0.0000
133	V	V	0.0000
134	C	V	0.0000
135	L	V	0.0000
136	L	V	0.0000
137	N	V	0.0000
138	N	V	-0.4004
139	F	V	0.0000
140	Y	V	0.1204
141	P	V	-0.3319
142	R	V	-2.1904
143	E	V	-2.1595
144	A	V	-0.6307
145	K	V	-1.6630
146	V	V	-0.2558
147	Q	V	-0.5836
148	W	V	0.0000
149	K	V	-0.3585
150	V	V	0.0000
151	D	V	-0.8979
152	N	V	-1.4335
153	A	V	0.0833
154	L	V	1.4759
155	Q	V	0.0187
156	S	V	-0.3406
157	G	V	-0.5648
158	N	V	-0.4176
159	S	V	-0.2207
160	Q	V	-0.7924
161	E	V	-1.5263
162	S	V	-0.2554
163	V	V	0.2341
164	T	V	-0.2054
165	E	V	-1.2523
166	Q	V	0.0000
167	D	V	-0.5814
168	S	V	-0.6111
169	K	V	-1.8638
170	D	V	-1.0076
171	S	V	0.0000
172	T	V	0.0000
173	Y	V	0.0000
174	S	V	0.0000
175	L	V	0.1990
176	S	V	0.0000
177	S	V	0.0000
178	T	V	-0.0099
179	L	V	0.0000
180	T	V	0.0117
181	L	V	0.1424
182	S	V	-0.2814
183	K	V	-0.9525
184	A	V	-0.3588
185	D	V	-1.1559
186	Y	V	0.0000
187	E	V	-2.1311
188	K	V	-2.1121
189	H	V	-1.0549
190	K	V	-1.6904
191	V	V	0.0103
192	Y	V	0.0000
193	A	V	-0.0273
194	C	V	0.0000
195	E	V	-0.3974
196	V	V	0.0000
197	T	V	-0.0647
198	H	V	-0.3223
199	Q	V	-1.2473
200	G	V	-0.3192
201	L	V	0.2546
202	S	V	-0.1924
203	S	V	-0.2983
204	P	V	-0.2249
205	V	V	0.3252
206	T	V	-0.1779
207	K	V	-0.8030
208	S	V	-0.3151
209	F	V	-0.0627
210	N	V	-1.5058
211	R	V	-2.0808
1	E	W	-1.8083
2	V	W	-0.2519
3	Q	W	-1.1284
4	L	W	0.0000
5	V	W	0.7702
6	E	W	0.0000
7	S	W	-0.2370
8	G	W	-0.5199
9	G	W	-0.1834
10	G	W	0.0000
11	L	W	0.3452
12	V	W	0.0000
13	Q	W	-1.2446
14	P	W	-0.4093
15	G	W	-0.4273
16	G	W	-0.1787
17	S	W	-0.2478
18	L	W	-0.0828
19	R	W	-1.6687
20	L	W	0.0000
21	S	W	-0.0295
22	C	W	0.0000
23	A	W	0.0325
24	A	W	0.0000
25	S	W	-0.1550
26	G	W	-0.6220
27	Y	W	0.0608
28	T	W	-0.0415
29	F	W	0.0000
30	T	W	-0.0513
31	S	W	-0.0858
32	Y	W	0.2779
33	V	W	0.0000
34	I	W	0.0000
35	H	W	0.0000
36	W	W	0.0000
37	V	W	0.0000
38	R	W	0.0000
39	Q	W	0.0000
40	A	W	-0.0363
41	P	W	-0.3385
42	G	W	-0.8275
43	K	W	-1.8161
44	G	W	-0.4778
45	L	W	0.0000
46	E	W	-0.3954
47	W	W	0.0000
48	V	W	0.0000
49	G	W	0.0000
50	Y	W	0.0000
51	N	W	0.0000
52	N	W	0.0000
53	P	W	0.0000
54	Y	W	1.2629
55	N	W	-0.0391
56	A	W	-0.0166
57	G	W	-0.1178
58	T	W	-0.0728
59	N	W	-0.1122
60	Y	W	0.1355
61	N	W	-0.4214
62	E	W	-2.3295
63	K	W	-2.0291
64	F	W	0.0000
65	K	W	-1.7983
66	G	W	-1.0839
67	R	W	-1.9300
68	F	W	0.0000
69	T	W	-0.0585
70	I	W	0.0000
71	S	W	-0.1455
72	S	W	-0.1637
73	D	W	-0.7426
74	K	W	-1.7193
75	S	W	-0.8087
76	K	W	-1.8124
77	N	W	-0.8781
78	T	W	0.0000
79	A	W	0.0000
80	Y	W	0.1704
81	L	W	0.0000
82	Q	W	-0.7641
83	M	W	0.0000
84	N	W	-0.6480
85	S	W	-0.3906
86	L	W	0.0000
87	R	W	-1.5020
88	A	W	-0.5543
89	E	W	-1.8472
90	D	W	-0.5462
91	T	W	-0.0538
92	A	W	0.0000
93	V	W	0.3338
94	Y	W	0.0000
95	Y	W	0.0000
96	C	W	0.0000
97	S	W	0.0000
98	R	W	0.0000
99	P	W	0.0000
100	T	W	-0.0218
101	M	W	0.0000
102	L	W	0.0000
103	P	W	0.0000
104	W	W	0.0000
105	F	W	0.0000
106	A	W	0.0000
107	Y	W	0.5592
108	W	W	0.2202
109	G	W	0.0000
110	Q	W	-1.1983
111	G	W	0.0000
112	T	W	0.0586
113	L	W	0.3849
114	V	W	0.0000
115	T	W	-0.0113
116	V	W	0.0000
117	S	W	-0.0978
118	S	W	-0.3449
119	A	W	-0.0298
120	S	W	-0.2120
121	T	W	-0.2678
122	K	W	-1.0022
123	G	W	-0.3208
124	P	W	-0.0708
125	S	W	-0.1146
126	V	W	0.0000
127	F	W	0.1835
128	P	W	0.0087
129	L	W	0.0000
130	A	W	-0.0034
131	P	W	-0.0602
132	S	W	-0.2173
134	T	W	-0.1125
135	A	W	-0.0229
136	A	W	0.0000
137	L	W	0.0000
138	G	W	0.0000
139	C	W	0.0000
140	L	W	0.0000
141	V	W	0.0000
142	K	W	0.0000
143	D	W	-0.4707
144	Y	W	0.0000
145	F	W	0.0000
146	P	W	0.0000
147	E	W	-0.5106
148	P	W	-0.2347
149	V	W	0.1973
150	T	W	0.0184
151	V	W	0.1716
152	S	W	-0.0554
153	W	W	0.0000
154	N	W	-0.1757
155	S	W	-0.2338
156	G	W	-0.4791
157	A	W	0.0094
158	L	W	0.2462
159	T	W	-0.0648
160	S	W	-0.2728
161	G	W	-0.2218
162	V	W	0.3294
163	H	W	-0.0320
164	T	W	-0.0512
165	F	W	0.0000
166	P	W	-0.1035
167	A	W	0.0724
168	V	W	0.6066
169	L	W	1.6015
170	Q	W	0.0999
171	S	W	-0.2778
172	S	W	-0.3007
173	G	W	-0.2547
174	L	W	0.1904
175	Y	W	0.4061
176	S	W	0.0000
177	L	W	0.1500
178	S	W	0.0000
179	S	W	0.0000
180	V	W	0.0000
181	V	W	0.0000
182	T	W	-0.0149
183	V	W	0.0000
184	P	W	-0.2169
185	S	W	-0.2111
186	S	W	-0.2472
187	S	W	-0.0288
188	L	W	0.2776
189	G	W	-0.4094
190	T	W	-0.3161
191	Q	W	-0.8692
192	T	W	-0.1720
193	Y	W	0.0000
194	I	W	0.0000
195	C	W	0.0000
196	N	W	-0.2366
197	V	W	0.0000
198	N	W	-0.2361
199	H	W	0.0000
200	K	W	-1.8703
201	P	W	-0.3623
202	S	W	-0.2948
203	N	W	-1.5010
204	T	W	-0.3587
205	K	W	-0.6265
206	V	W	0.0000
207	D	W	0.0000
208	K	W	-0.2390
209	K	W	-0.3784
210	V	W	0.0000
211	E	W	-0.5132
212	P	W	-0.4980
213	K	W	-1.7188
61	K	X	-1.7898
62	K	X	-0.7986
63	P	X	0.0000
64	A	X	0.0000
65	A	X	0.0000
66	H	X	0.0000
67	L	X	0.0000
68	I	X	0.0000
69	G	X	0.0000
70	D	X	-0.2377
71	P	X	-0.1560
72	S	X	-0.4648
73	K	X	-1.5396
74	Q	X	-1.6636
75	N	X	-1.5287
76	S	X	-0.4046
77	L	X	0.2450
78	L	X	0.7328
79	W	X	0.0000
80	R	X	-0.3843
81	A	X	0.0000
82	N	X	-0.4040
83	T	X	-0.4254
84	D	X	-1.8552
85	R	X	-0.6666
86	A	X	0.0000
87	F	X	0.0000
88	L	X	0.1214
89	Q	X	-0.1742
90	D	X	-0.2516
91	G	X	0.0000
92	F	X	0.0000
93	S	X	0.0000
94	L	X	0.0000
95	S	X	0.0000
96	N	X	-1.3783
97	N	X	-0.8128
98	S	X	-0.1299
99	L	X	0.0000
100	L	X	0.0000
101	V	X	0.0000
102	P	X	0.0000
103	T	X	-0.0377
104	S	X	-0.1841
105	G	X	-0.2432
106	I	X	0.0418
107	Y	X	0.0000
108	F	X	0.0000
109	V	X	0.0000
110	Y	X	0.0000
111	S	X	0.0000
112	Q	X	0.0000
113	V	X	0.0000
114	V	X	0.0000
115	F	X	0.0000
116	S	X	-0.1509
128	P	X	-0.1453
129	L	X	0.3901
130	Y	X	0.7427
131	L	X	0.0000
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136	C	D	0.0791	mutated: YD136C
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