Remtolumab / 4nyl

A4DAB223_4nyl_A_B | Source PDB: 4nyl | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.517
Max Score
3.7385
Min Score
-2.966
Total Score
-163.38
Score CDR
-0.4855
Score non-CDR
-0.5226

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSTQTYICNVNHKPSNTDIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFI input.pdb
Selected Chain(s) A (Heavy), B (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 -2.966
Maximum Score 3.7385
Average Score -0.517
Total Score -163.3753

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

Index Residue Chain A4D Score Classification
1 E A -1.9426 Soluble
2 V A -0.8548 Soluble
3 Q A -0.9374 Soluble
4 L A 0.0000 Buried
5 V A 0.6576 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.3610 Soluble
8 G A -0.9469 Soluble
9 G A -0.7232 Soluble
11 G A -0.3978 Soluble
12 L A -0.2681 Soluble
13 V A 0.0000 Buried
14 Q A -2.0290 Soluble
15 P A -2.1666 Soluble
16 G A -2.3902 Soluble
17 R A -2.9660 Soluble
18 S A -2.1964 Soluble
19 L A -1.6184 Soluble
20 R A -2.1210 Soluble
21 L A 0.0000 Buried
22 S A -0.4753 Soluble
23 C A 0.0000 Buried
24 A A -0.2379 Soluble
25 A A -0.3916 Soluble
26 S A -0.6758 Soluble
27 G A -0.9369 Soluble
28 F A -0.5701 Soluble
29 T A -0.8805 Soluble
30 F A 0.0000 Buried
35 D A -2.7028 Soluble
36 D A -1.2329 Soluble
37 Y A -0.1242 Soluble
38 A A 0.0000 Buried
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.8675 Soluble
45 A A -1.2373 Soluble
46 P A -0.9817 Soluble
47 G A -1.5502 Soluble
48 K A -2.3953 Soluble
49 G A -1.7716 Soluble
50 L A 0.0000 Buried
51 E A -1.1676 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 S A 0.0000 Buried
55 A A 0.0000 Buried
56 I A 0.0000 Buried
57 T A 0.0000 Buried
58 W A -1.0871 Soluble
59 N A -1.9628 Soluble
62 S A -1.1049 Soluble
63 G A -1.1421 Soluble
64 H A -1.0809 Soluble
65 I A -0.0709 Soluble
66 D A -0.9648 Soluble
67 Y A -1.0283 Soluble
68 A A -1.5559 Soluble
69 D A -2.5534 Soluble
70 S A -1.6990 Soluble
71 V A 0.0000 Buried
72 E A -2.7732 Soluble
74 G A -1.8439 Soluble
75 R A -1.3362 Soluble
76 F A 0.0000 Buried
77 T A -0.8774 Soluble
78 I A 0.0000 Buried
79 S A -0.4110 Soluble
80 R A -1.2257 Soluble
81 D A -1.8393 Soluble
82 N A -2.2466 Soluble
83 A A -1.6096 Soluble
84 K A -2.4575 Soluble
85 N A -2.1582 Soluble
86 S A 0.0000 Buried
87 L A 0.0000 Buried
88 Y A -0.5875 Soluble
89 L A 0.0000 Buried
90 Q A -1.5257 Soluble
91 M A 0.0000 Buried
92 N A -2.4232 Soluble
93 S A -1.9351 Soluble
94 L A 0.0000 Buried
95 R A -2.7932 Soluble
96 A A -1.8197 Soluble
97 E A -2.2906 Soluble
98 D A 0.0000 Buried
99 T A -0.8037 Soluble
100 A A 0.0000 Buried
101 V A 0.0533 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 K A 0.0000 Buried
107 V A 0.0000 Buried
108 S A 0.8608 Aggregation-prone
109 Y A 1.6624 Aggregation-prone
110 L A 1.5227 Aggregation-prone
111 S A 0.7501 Aggregation-prone
112A T A 0.0198 Aggregation-prone
112 A A -0.0883 Soluble
113 S A 0.0000 Buried
114 S A 0.0000 Buried
115 L A 0.0000 Buried
116 D A -0.0077 Soluble
117 Y A 0.2853 Aggregation-prone
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.4830 Soluble
121 G A 0.0000 Buried
122 T A -0.0860 Soluble
123 L A -0.0007 Soluble
124 V A 0.0000 Buried
125 T A -0.5331 Soluble
126 V A 0.0000 Buried
127 S A -0.7068 Soluble
128 S A -0.6942 Soluble
129 A A -0.5260 Soluble
130 S A -0.7240 Soluble
131 T A -1.0246 Soluble
132 K A -2.1423 Soluble
133 G A -1.7581 Soluble
134 P A -0.7236 Soluble
135 S A 0.0131 Aggregation-prone
136 V A 1.1621 Aggregation-prone
137 F A 1.6324 Aggregation-prone
138 P A 1.4487 Aggregation-prone
139 L A 2.2753 Aggregation-prone
140 T A -0.2500 Soluble
141 A A 0.0883 Aggregation-prone
142 A A 0.9611 Aggregation-prone
143 L A 1.2162 Aggregation-prone
144 G A 1.2391 Aggregation-prone
145 C A 0.0000 Buried
146 L A 1.1867 Aggregation-prone
147 V A 0.0000 Buried
148 K A -0.3902 Soluble
149 D A -0.5099 Soluble
150 Y A 0.0000 Buried
151 F A 0.0000 Buried
152 P A 0.0000 Buried
153 E A -0.7909 Soluble
154 P A -0.9161 Soluble
155 V A 0.0000 Buried
156 T A -0.9511 Soluble
157 V A 0.0000 Buried
158 S A -0.5790 Soluble
159 W A 0.0000 Buried
160 N A -0.1013 Soluble
161 S A -0.4588 Soluble
162 G A -0.7600 Soluble
163 A A -0.2041 Soluble
164 L A 0.1391 Aggregation-prone
165 T A -0.1517 Soluble
166 S A -0.3129 Soluble
167 G A -0.3385 Soluble
168 V A 0.2168 Aggregation-prone
169 H A -0.2183 Soluble
170 T A 0.2303 Aggregation-prone
171 F A 0.8994 Aggregation-prone
172 P A 0.5018 Aggregation-prone
173 A A 1.1290 Aggregation-prone
174 V A 2.3011 Aggregation-prone
175 L A 1.7840 Aggregation-prone
176 Q A 0.2657 Aggregation-prone
177 S A -0.0934 Soluble
178 S A -0.3010 Soluble
179 G A 0.1888 Aggregation-prone
180 L A 0.0675 Aggregation-prone
181 Y A 0.7671 Aggregation-prone
182 S A 0.5318 Aggregation-prone
183 L A 0.0000 Buried
184 S A 0.6378 Aggregation-prone
185 S A 0.0000 Buried
186 V A 0.8746 Aggregation-prone
187 V A 0.0000 Buried
188 T A -0.1058 Soluble
189 V A 0.0000 Buried
190 P A -0.4662 Soluble
191 S A -0.3605 Soluble
192 T A -0.3865 Soluble
193 Q A -0.5302 Soluble
194 T A 0.1099 Aggregation-prone
195 Y A 0.8791 Aggregation-prone
196 I A 1.2376 Aggregation-prone
197 C A 0.6071 Aggregation-prone
198 N A -1.0328 Soluble
199 V A -0.7070 Soluble
200 N A -2.1570 Soluble
201 H A 0.0000 Buried
202 K A -2.6705 Soluble
203 P A -1.9168 Soluble
204 S A -1.9520 Soluble
205 N A -2.3843 Soluble
206 T A -1.4210 Soluble
1 D B -2.1762 Soluble
2 I B -1.7990 Soluble
3 Q B -2.2384 Soluble
4 M B 0.0000 Buried
5 T B -1.4939 Soluble
6 Q B 0.0000 Buried
7 S B -0.8021 Soluble
8 P B -0.6833 Soluble
9 S B -0.9821 Soluble
10 S B -1.0885 Soluble
11 L B -0.9326 Soluble
12 S B -1.2528 Soluble
13 A B -1.1634 Soluble
14 S B -0.9462 Soluble
15 V B 0.3999 Aggregation-prone
16 G B -0.4755 Soluble
17 D B -1.3050 Soluble
18 R B -2.1053 Soluble
19 V B -1.0239 Soluble
20 T B -0.5616 Soluble
21 I B 0.0000 Buried
22 T B -0.7513 Soluble
23 C B 0.0000 Buried
24 R B -2.6898 Soluble
25 A B 0.0000 Buried
26 S B -1.9672 Soluble
27 Q B -2.3199 Soluble
28 G B -1.7192 Soluble
29 I B 0.0000 Buried
36 R B -2.4572 Soluble
37 N B -1.5487 Soluble
38 Y B -0.7037 Soluble
39 L B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.9358 Soluble
46 P B -1.4379 Soluble
47 G B -1.9286 Soluble
48 K B -2.6986 Soluble
49 A B -1.7003 Soluble
50 P B 0.0000 Buried
51 K B -1.3841 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.1628 Aggregation-prone
56 A B -0.2845 Soluble
57 A B 0.0000 Buried
65 S B -0.2745 Soluble
66 T B 0.0126 Aggregation-prone
67 L B 0.2057 Aggregation-prone
68 Q B -0.3005 Soluble
69 S B -0.3933 Soluble
70 G B -0.5220 Soluble
71 V B -0.3988 Soluble
72 P B -0.4818 Soluble
74 S B -0.5553 Soluble
75 R B -0.8995 Soluble
76 F B 0.0000 Buried
77 S B -0.3300 Soluble
78 G B -0.2318 Soluble
79 S B -0.6796 Soluble
80 G B -1.3248 Soluble
83 S B -1.4794 Soluble
84 G B -1.8906 Soluble
85 T B -2.0474 Soluble
86 D B -2.2545 Soluble
87 F B 0.0000 Buried
88 T B -0.6517 Soluble
89 L B 0.0000 Buried
90 T B -0.6148 Soluble
91 I B 0.0000 Buried
92 S B -1.3433 Soluble
93 S B -0.9660 Soluble
94 L B 0.0000 Buried
95 Q B -0.4764 Soluble
96 P B -0.9114 Soluble
97 E B -1.9657 Soluble
98 D B 0.0000 Buried
99 V B -0.7260 Soluble
100 A B 0.0000 Buried
101 T B -1.1678 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 R B 0.0000 Buried
107 Y B 0.0000 Buried
108 N B -1.3696 Soluble
109 R B -1.9778 Soluble
114 A B -0.9875 Soluble
115 P B -1.0229 Soluble
116 Y B 0.0000 Buried
117 T B -0.7493 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.9462 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.9663 Soluble
124 V B 0.0000 Buried
125 E B -2.1575 Soluble
126 I B -1.1617 Soluble
127 K B -2.1592 Soluble
128 R B -2.0251 Soluble
129 T B -0.3559 Soluble
130 V B 1.0742 Aggregation-prone
131 A B 0.5734 Aggregation-prone
132 A B 0.5154 Aggregation-prone
133 P B 0.5382 Aggregation-prone
134 S B 0.9880 Aggregation-prone
135 V B 2.9986 Aggregation-prone
136 F B 3.7385 Aggregation-prone
137 I B 3.5786 Aggregation-prone

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.4628 6.3953 CSV PDB
4.5 -0.4936 6.3953 CSV PDB
5.0 -0.5296 6.3953 CSV PDB
5.5 -0.563 6.3953 CSV PDB
6.0 -0.5859 6.3953 CSV PDB
6.5 -0.5939 6.3953 CSV PDB
7.0 -0.5886 6.3953 CSV PDB
7.5 -0.5754 6.3953 CSV PDB
8.0 -0.5578 6.3953 CSV PDB
8.5 -0.5363 6.3953 CSV PDB
9.0 -0.5099 6.3953 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH