Remtolumab / 4nyl

A4DAB223_4nyl_C_D | Source PDB: 4nyl | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7347
Max Score
1.7554
Min Score
-3.7676
Total Score
-311.53
Score CDR
-0.5298
Score non-CDR
-0.7609

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEDIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) C (Heavy), D (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.7676
Maximum Score 1.7554
Average Score -0.7347
Total Score -311.5331

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 E C -2.1633 Soluble
2 V C -1.3728 Soluble
3 Q C -1.3031 Soluble
4 L C 0.0000 Buried
5 V C 1.1349 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.1551 Soluble
8 G C -0.8635 Soluble
9 G C -0.5378 Soluble
11 G C -0.3439 Soluble
12 L C -0.0966 Soluble
13 V C 0.0000 Buried
14 Q C -1.7448 Soluble
15 P C -1.9299 Soluble
16 G C -2.1517 Soluble
17 R C -2.7448 Soluble
18 S C -2.1656 Soluble
19 L C -1.5612 Soluble
20 R C -2.1442 Soluble
21 L C 0.0000 Buried
22 S C -0.3611 Soluble
23 C C 0.0000 Buried
24 A C -0.0342 Soluble
25 A C 0.0000 Buried
26 S C -0.8270 Soluble
27 G C -1.3801 Soluble
28 F C -0.8292 Soluble
29 T C -0.8133 Soluble
30 F C 0.0000 Buried
35 D C -2.3854 Soluble
36 D C -1.1208 Soluble
37 Y C -0.0046 Soluble
38 A C 0.0000 Buried
39 M C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.7899 Soluble
45 A C -1.2238 Soluble
46 P C -0.9503 Soluble
47 G C -1.5005 Soluble
48 K C -2.3378 Soluble
49 G C -1.6115 Soluble
50 L C 0.0000 Buried
51 E C -1.1012 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 S C 0.0000 Buried
55 A C 0.0000 Buried
56 I C 0.0000 Buried
57 T C -0.6512 Soluble
58 W C -0.9525 Soluble
59 N C -1.8944 Soluble
62 S C -1.1248 Soluble
63 G C -1.1760 Soluble
64 H C -1.0778 Soluble
65 I C -0.0476 Soluble
66 D C -0.8964 Soluble
67 Y C -0.9953 Soluble
68 A C 0.0000 Buried
69 D C -2.5148 Soluble
70 S C -1.7751 Soluble
71 V C 0.0000 Buried
72 E C -2.8008 Soluble
74 G C -1.8830 Soluble
75 R C -1.5365 Soluble
76 F C 0.0000 Buried
77 T C -0.8948 Soluble
78 I C 0.0000 Buried
79 S C -0.3817 Soluble
80 R C -1.1213 Soluble
81 D C -1.6857 Soluble
82 N C -1.9845 Soluble
83 A C -1.4385 Soluble
84 K C -2.2764 Soluble
85 N C -1.8451 Soluble
86 S C 0.0000 Buried
87 L C 0.0000 Buried
88 Y C -0.6008 Soluble
89 L C 0.0000 Buried
90 Q C -1.4089 Soluble
91 M C 0.0000 Buried
92 N C -2.1291 Soluble
93 S C -1.8512 Soluble
94 L C 0.0000 Buried
95 R C -2.8679 Soluble
96 A C -1.8459 Soluble
97 E C -2.3414 Soluble
98 D C 0.0000 Buried
99 T C -0.8369 Soluble
100 A C 0.0000 Buried
101 V C 0.1840 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 K C 0.0000 Buried
107 V C 0.0000 Buried
108 S C 0.0000 Buried
109 Y C 1.7554 Aggregation-prone
110 L C 1.6987 Aggregation-prone
111 S C 0.8858 Aggregation-prone
112A T C 0.0937 Aggregation-prone
112 A C -0.0335 Soluble
113 S C 0.0000 Buried
114 S C 0.0000 Buried
115 L C 0.0000 Buried
116 D C -0.1184 Soluble
117 Y C 0.0461 Aggregation-prone
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.3570 Soluble
121 G C 0.0000 Buried
122 T C -0.0022 Soluble
123 L C -0.0065 Soluble
124 V C 0.0000 Buried
125 T C -0.5094 Soluble
126 V C 0.0000 Buried
127 S C -0.6723 Soluble
128 S C -0.5218 Soluble
129 A C -0.4060 Soluble
130 S C -0.5934 Soluble
131 T C -0.7899 Soluble
132 K C -1.5189 Soluble
133 G C -1.5547 Soluble
134 P C -0.6874 Soluble
135 S C -0.4276 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C 0.0000 Buried
139 L C 0.0000 Buried
140 A C -0.7735 Soluble
141 P C -0.4733 Soluble
142 G C -0.6338 Soluble
143 T C -0.4865 Soluble
144 A C -0.2262 Soluble
145 A C 0.0000 Buried
146 L C 0.0000 Buried
147 G C 0.0000 Buried
148 C C 0.0000 Buried
149 L C 0.0000 Buried
150 V C 0.0000 Buried
151 K C 0.0000 Buried
152 D C -0.4633 Soluble
153 Y C 0.0000 Buried
154 F C 0.0000 Buried
155 P C 0.0000 Buried
156 E C -0.4653 Soluble
157 P C -0.7009 Soluble
158 V C -0.6496 Soluble
159 T C -0.5253 Soluble
160 V C -0.3734 Soluble
161 S C -0.3565 Soluble
162 W C 0.0000 Buried
163 N C -0.6584 Soluble
164 S C -0.6489 Soluble
165 G C -0.5869 Soluble
166 A C -0.2432 Soluble
167 L C 0.0809 Aggregation-prone
168 T C -0.1143 Soluble
169 S C -0.1090 Soluble
170 G C -0.0292 Soluble
171 V C 0.2721 Aggregation-prone
172 H C -0.0587 Soluble
173 T C -0.0071 Soluble
174 F C 0.0000 Buried
175 P C -0.3257 Soluble
176 A C 0.2551 Aggregation-prone
177 V C 0.4542 Aggregation-prone
178 L C 1.3702 Aggregation-prone
179 Q C 0.2947 Aggregation-prone
180 S C 0.0017 Aggregation-prone
181 S C -0.1815 Soluble
182 G C 0.0995 Aggregation-prone
183 L C 0.1313 Aggregation-prone
184 Y C 0.5579 Aggregation-prone
185 S C 0.0000 Buried
186 L C 0.0000 Buried
187 S C 0.0000 Buried
188 S C 0.0000 Buried
189 V C 0.0000 Buried
190 V C 0.0000 Buried
191 T C -0.0996 Soluble
192 V C 0.0000 Buried
193 P C -0.4141 Soluble
194 S C -0.4611 Soluble
195 S C -0.5216 Soluble
196 S C -0.4291 Soluble
197 L C -0.5008 Soluble
198 G C -0.8387 Soluble
199 T C -0.6173 Soluble
200 Q C -1.0857 Soluble
201 T C -0.9652 Soluble
202 Y C 0.0000 Buried
203 I C -0.8739 Soluble
204 C C 0.0000 Buried
205 N C -1.3668 Soluble
206 V C 0.0000 Buried
207 N C -1.7061 Soluble
208 H C 0.0000 Buried
209 K C -2.7314 Soluble
210 P C -1.6897 Soluble
211 S C -1.8969 Soluble
212 N C -2.5762 Soluble
213 T C -1.9274 Soluble
214 K C -2.5274 Soluble
215 V C -1.3448 Soluble
216 D C -2.1865 Soluble
217 K C -1.8842 Soluble
218 K C -2.1103 Soluble
219 V C 0.0000 Buried
220 E C -2.2241 Soluble
1 D D -1.8663 Soluble
2 I D -0.8538 Soluble
3 Q D -1.7121 Soluble
4 M D 0.0000 Buried
5 T D -1.0420 Soluble
6 Q D 0.0000 Buried
7 S D -0.5692 Soluble
8 P D -0.4892 Soluble
9 S D -0.6971 Soluble
10 S D -0.5878 Soluble
11 L D -0.4921 Soluble
12 S D -0.9064 Soluble
13 A D -1.1781 Soluble
14 S D -1.0909 Soluble
15 V D -0.2079 Soluble
16 G D -1.0291 Soluble
17 D D -2.0352 Soluble
18 R D -2.4769 Soluble
19 V D 0.0000 Buried
20 T D -0.6336 Soluble
21 I D 0.0000 Buried
22 T D -0.7840 Soluble
23 C D 0.0000 Buried
24 R D -2.2804 Soluble
25 A D 0.0000 Buried
26 S D -1.8562 Soluble
27 Q D -2.3716 Soluble
28 G D -2.1750 Soluble
29 I D 0.0000 Buried
36 R D -2.8156 Soluble
37 N D -1.8762 Soluble
38 Y D -0.8728 Soluble
39 L D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -2.8670 Soluble
46 P D -2.1106 Soluble
47 G D -2.0814 Soluble
48 K D -2.8206 Soluble
49 A D -1.7901 Soluble
50 P D 0.0000 Buried
51 K D -1.4991 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.1055 Aggregation-prone
56 A D -0.3166 Soluble
57 A D 0.0000 Buried
65 S D -0.3128 Soluble
66 T D 0.0213 Aggregation-prone
67 L D 0.1668 Aggregation-prone
68 Q D -0.3792 Soluble
69 S D -0.4143 Soluble
70 G D -0.5246 Soluble
71 V D -0.3299 Soluble
72 P D -0.3286 Soluble
74 S D -0.4312 Soluble
75 R D -0.7629 Soluble
76 F D 0.0000 Buried
77 S D -0.3424 Soluble
78 G D -0.2975 Soluble
79 S D -0.8210 Soluble
80 G D -1.4313 Soluble
83 S D -1.8969 Soluble
84 G D -2.2856 Soluble
85 T D -2.4247 Soluble
86 D D -2.9158 Soluble
87 F D 0.0000 Buried
88 T D -0.7719 Soluble
89 L D 0.0000 Buried
90 T D -0.6034 Soluble
91 I D 0.0000 Buried
92 S D -1.4426 Soluble
93 S D -1.2432 Soluble
94 L D 0.0000 Buried
95 Q D -1.2655 Soluble
96 P D -2.0266 Soluble
97 E D -2.8669 Soluble
98 D D 0.0000 Buried
99 V D 0.0000 Buried
100 A D 0.0000 Buried
101 T D -0.9028 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 R D 0.0000 Buried
107 Y D 0.0000 Buried
108 N D -1.4608 Soluble
109 R D -1.8733 Soluble
114 A D -0.8336 Soluble
115 P D -0.8350 Soluble
116 Y D 0.0000 Buried
117 T D -0.5595 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.4235 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.0961 Soluble
124 V D 0.0000 Buried
125 E D -1.3169 Soluble
126 I D 0.0000 Buried
127 K D -1.5726 Soluble
128 R D -0.9321 Soluble
129 T D -0.1542 Soluble
130 V D 0.3513 Aggregation-prone
131 A D 0.1563 Aggregation-prone
132 A D -0.1304 Soluble
133 P D 0.0000 Buried
134 S D -0.1543 Soluble
135 V D 0.0000 Buried
136 F D 0.0848 Aggregation-prone
137 I D 0.0821 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.7455 Soluble
140 P D -0.5482 Soluble
141 S D -1.3042 Soluble
142 D D -2.5484 Soluble
143 E D -2.2348 Soluble
144 Q D 0.0000 Buried
145 L D -2.0187 Soluble
146 K D -2.5945 Soluble
147 S D -1.6851 Soluble
148 G D -1.1668 Soluble
149 T D -0.9197 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -1.0043 Soluble
159 F D 0.0000 Buried
160 Y D -1.1063 Soluble
161 P D -1.7172 Soluble
162 R D -2.8182 Soluble
163 E D -3.0903 Soluble
164 A D -2.1199 Soluble
165 K D -1.7844 Soluble
166 V D -0.9926 Soluble
167 Q D -0.2915 Soluble
168 W D 0.0000 Buried
169 K D -0.4976 Soluble
170 V D 0.0000 Buried
171 D D -1.8894 Soluble
172 N D -1.5823 Soluble
173 A D -0.3234 Soluble
174 L D 0.7449 Aggregation-prone
175 Q D -0.3530 Soluble
176 S D -0.6763 Soluble
177 G D -1.4496 Soluble
178 N D -1.8969 Soluble
179 S D -1.8969 Soluble
180 Q D -2.2515 Soluble
181 E D -2.2931 Soluble
182 S D -1.0307 Soluble
183 V D -0.8425 Soluble
184 T D -1.1645 Soluble
185 E D -2.3280 Soluble
186 Q D 0.0000 Buried
187 D D -2.4419 Soluble
188 S D -2.7915 Soluble
189 K D -2.8041 Soluble
190 D D -1.9719 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -1.0108 Soluble
199 L D 0.0000 Buried
200 T D -0.6627 Soluble
201 L D -0.8388 Soluble
202 S D -1.0097 Soluble
203 K D -2.0234 Soluble
204 A D -1.7820 Soluble
205 D D -2.5294 Soluble
206 Y D 0.0000 Buried
207 E D -3.7676 Soluble
208 K D -3.7133 Soluble
209 H D -3.3134 Soluble
210 K D -3.6721 Soluble
211 V D -1.9218 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.4669 Soluble
216 V D 0.0000 Buried
217 T D -0.9775 Soluble
218 H D 0.0000 Buried
219 Q D -1.6937 Soluble
220 G D -0.4383 Soluble
221 L D -0.2420 Soluble
222 S D -0.4667 Soluble
223 S D -0.4133 Soluble
224 P D -0.4296 Soluble
225 V D 0.0397 Aggregation-prone
226 T D -0.4406 Soluble
227 K D -0.7970 Soluble
228 S D -0.8196 Soluble
229 F D -1.1991 Soluble
230 N D -2.8357 Soluble
231 R D -3.5588 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
Load structure at specific pH condition
A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.7495 2.2105 CSV PDB
4.5 -0.7937 2.1736 CSV PDB
5.0 -0.8453 2.1299 CSV PDB
5.5 -0.894 2.0835 CSV PDB
6.0 -0.9292 2.0361 CSV PDB
6.5 -0.9434 1.9885 CSV PDB
7.0 -0.9373 1.9409 CSV PDB
7.5 -0.9185 1.8937 CSV PDB
8.0 -0.8926 1.8478 CSV PDB
8.5 -0.861 1.8054 CSV PDB
9.0 -0.8225 1.8224 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH