Nurulimab / 5tru

A4DAB183_5tru_H_L | Source PDB: 5tru | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7054
Max Score
1.5631
Min Score
-3.3943
Total Score
-301.91
Score CDR
-0.1892
Score non-CDR
-0.7676

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAPGKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSEIVLTQSPGTLSLSPGERATLSCRASQSVGSSYLAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) H (Heavy), L (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 -3.3943
Maximum Score 1.5631
Average Score -0.7054
Total Score -301.9104

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

Index Residue Chain A4D Score Classification
1 Q H -1.2157 Soluble
2 V H -0.2809 Soluble
3 Q H -0.5509 Soluble
4 L H 0.0000 Buried
5 V H 0.3232 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5836 Soluble
8 G H -0.8495 Soluble
9 G H -0.3836 Soluble
11 G H 0.2301 Aggregation-prone
12 V H 0.5276 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.7252 Soluble
15 P H -2.0388 Soluble
16 G H -2.1628 Soluble
17 R H -2.6946 Soluble
18 S H -2.0766 Soluble
19 L H -1.4605 Soluble
20 R H -2.2182 Soluble
21 L H 0.0000 Buried
22 S H -0.6066 Soluble
23 C H 0.0000 Buried
24 A H -0.3005 Soluble
25 A H -0.4011 Soluble
26 S H -0.5321 Soluble
27 G H -0.8048 Soluble
28 F H -0.3069 Soluble
29 T H -0.1916 Soluble
30 F H 0.0000 Buried
35 S H -0.5481 Soluble
36 S H 0.1027 Aggregation-prone
37 Y H 0.5993 Aggregation-prone
38 T H 0.0000 Buried
39 M H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H 0.0000 Buried
45 A H -1.0896 Soluble
46 P H -0.8922 Soluble
47 G H -1.4726 Soluble
48 K H -2.3761 Soluble
49 G H -1.6468 Soluble
50 L H 0.0000 Buried
51 E H -1.0366 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 T H 0.0000 Buried
55 F H 0.3112 Aggregation-prone
56 I H 0.0000 Buried
57 S H -0.7027 Soluble
58 Y H -0.0818 Soluble
59 D H -2.0067 Soluble
62 G H -1.8024 Soluble
63 N H -2.2144 Soluble
64 N H -1.7516 Soluble
65 K H -0.9389 Soluble
66 Y H -0.0555 Soluble
67 Y H -0.6350 Soluble
68 A H 0.0000 Buried
69 D H -2.3639 Soluble
70 S H -1.6255 Soluble
71 V H 0.0000 Buried
72 K H -2.4653 Soluble
74 G H -1.6896 Soluble
75 R H -1.2627 Soluble
76 F H 0.0000 Buried
77 T H -0.8789 Soluble
78 I H 0.0000 Buried
79 S H -0.9095 Soluble
80 R H -1.0800 Soluble
81 D H -1.7168 Soluble
82 N H -1.7915 Soluble
83 S H -1.6067 Soluble
84 K H -2.3674 Soluble
85 N H -1.7725 Soluble
86 T H -1.0711 Soluble
87 L H 0.0000 Buried
88 Y H -0.6129 Soluble
89 L H 0.0000 Buried
90 Q H -1.5670 Soluble
91 M H 0.0000 Buried
92 N H -1.7771 Soluble
93 S H -1.6547 Soluble
94 L H 0.0000 Buried
95 R H -2.5507 Soluble
96 A H -1.7290 Soluble
97 E H -2.2591 Soluble
98 D H 0.0000 Buried
99 T H -0.6158 Soluble
100 A H 0.0000 Buried
101 I H 0.3758 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 T H 0.5301 Aggregation-prone
108 G H 0.8975 Aggregation-prone
109 W H 1.5607 Aggregation-prone
110 L H 1.4558 Aggregation-prone
113 G H 0.7146 Aggregation-prone
114 P H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.1468 Soluble
117 Y H 0.0505 Aggregation-prone
118 W H -0.2257 Soluble
119 G H 0.0000 Buried
120 Q H -1.2775 Soluble
121 G H -0.5850 Soluble
122 T H -0.0048 Soluble
123 L H 0.6057 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.8062 Soluble
128 S H -0.6278 Soluble
129 A H -0.4664 Soluble
130 S H -0.5824 Soluble
131 T H -0.6196 Soluble
132 K H -1.3549 Soluble
133 G H -1.5540 Soluble
134 P H -0.7384 Soluble
135 S H -0.4647 Soluble
136 V H 0.0000 Buried
137 F H -0.7371 Soluble
138 P H -1.0766 Soluble
139 L H 0.0000 Buried
140 A H -1.2054 Soluble
141 P H 0.0000 Buried
142 S H -1.1380 Soluble
143 S H -1.6134 Soluble
144 K H -2.0036 Soluble
145 T H -0.2543 Soluble
146 A H -0.1900 Soluble
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.5806 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.3339 Soluble
159 P H -0.7857 Soluble
160 V H -0.6507 Soluble
161 T H -0.7686 Soluble
162 V H -0.2635 Soluble
163 S H -0.3968 Soluble
164 W H 0.0000 Buried
165 N H -0.4759 Soluble
166 S H -0.5441 Soluble
167 G H -0.5004 Soluble
168 A H -0.2460 Soluble
169 L H -0.0041 Soluble
170 T H -0.1964 Soluble
171 S H -0.2167 Soluble
172 G H -0.3070 Soluble
173 V H 0.1370 Aggregation-prone
174 H H -0.3025 Soluble
175 T H -0.0014 Soluble
176 F H 0.0000 Buried
177 P H -0.4706 Soluble
178 A H 0.1744 Aggregation-prone
179 V H 0.4755 Aggregation-prone
180 L H 1.1978 Aggregation-prone
181 Q H 0.2433 Aggregation-prone
182 S H -0.1058 Soluble
183 S H -0.2195 Soluble
184 G H 0.0117 Aggregation-prone
185 L H -0.0201 Soluble
186 Y H 0.0000 Buried
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1505 Soluble
194 V H 0.0000 Buried
195 P H -0.5925 Soluble
196 S H -0.5122 Soluble
197 S H -0.6236 Soluble
198 S H -0.7414 Soluble
199 L H -0.8767 Soluble
200 G H -1.1038 Soluble
201 T H -0.8911 Soluble
202 Q H -1.3077 Soluble
203 T H -1.1095 Soluble
204 Y H 0.0000 Buried
205 I H -0.9098 Soluble
206 C H 0.0000 Buried
207 N H -1.3192 Soluble
208 V H 0.0000 Buried
209 N H -2.4259 Soluble
210 H H 0.0000 Buried
211 K H -2.8871 Soluble
212 P H -1.6417 Soluble
213 S H -1.8976 Soluble
214 N H -2.7185 Soluble
215 T H -2.2376 Soluble
216 K H -2.7547 Soluble
217 V H -1.3442 Soluble
218 D H -1.9799 Soluble
219 K H -1.5730 Soluble
220 R H -2.0206 Soluble
221 V H 0.0000 Buried
222 E H -2.6431 Soluble
223 P H -1.9863 Soluble
224 K H -2.5526 Soluble
225 S H -1.2936 Soluble
1 E L -1.3942 Soluble
2 I L -0.1586 Soluble
3 V L 0.7358 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.7761 Soluble
6 Q L 0.0000 Buried
7 S L -0.9381 Soluble
8 P L -0.5639 Soluble
9 G L -0.8967 Soluble
10 T L -0.4320 Soluble
11 L L -0.2333 Soluble
12 S L -0.6563 Soluble
13 L L -1.0300 Soluble
14 S L -1.6343 Soluble
15 P L -2.0544 Soluble
16 G L -2.4022 Soluble
17 E L -2.9321 Soluble
18 R L -3.2853 Soluble
19 A L 0.0000 Buried
20 T L -0.6636 Soluble
21 L L 0.0000 Buried
22 S L -0.8841 Soluble
23 C L 0.0000 Buried
24 R L -2.3697 Soluble
25 A L -1.1028 Soluble
26 S L -0.8322 Soluble
27 Q L -1.5253 Soluble
28 S L -1.3600 Soluble
29 V L 0.0000 Buried
30 G L -0.7377 Soluble
36 S L -0.3953 Soluble
37 S L 0.1717 Aggregation-prone
38 Y L 0.7158 Aggregation-prone
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.6231 Soluble
46 P L -1.3922 Soluble
47 G L -1.4034 Soluble
48 Q L -2.1746 Soluble
49 A L -1.4842 Soluble
50 P L 0.0000 Buried
51 R L -1.9691 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.6526 Aggregation-prone
56 G L 0.7042 Aggregation-prone
57 A L 0.0000 Buried
65 F L 1.5631 Aggregation-prone
66 S L 0.2516 Aggregation-prone
67 R L -1.1587 Soluble
68 A L -0.7445 Soluble
69 T L -0.5923 Soluble
70 G L -0.8173 Soluble
71 I L -0.9824 Soluble
72 P L -1.2391 Soluble
74 D L -2.1542 Soluble
75 R L -1.8425 Soluble
76 F L 0.0000 Buried
77 S L -0.3506 Soluble
78 G L 0.4153 Aggregation-prone
79 S L 0.0522 Aggregation-prone
80 G L -0.6777 Soluble
83 S L -0.7985 Soluble
84 G L -1.2116 Soluble
85 T L -1.7669 Soluble
86 D L -2.2220 Soluble
87 F L 0.0000 Buried
88 T L -0.4939 Soluble
89 L L 0.0000 Buried
90 T L -0.7822 Soluble
91 I L 0.0000 Buried
92 S L -2.3357 Soluble
93 R L -3.3943 Soluble
94 L L 0.0000 Buried
95 E L -2.4596 Soluble
96 P L -1.7713 Soluble
97 E L -2.2750 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.3437 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 G L -0.3402 Soluble
109 S L -0.6101 Soluble
114 S L -0.4239 Soluble
115 P L -0.5503 Soluble
116 W L -0.1561 Soluble
117 T L -0.1757 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6046 Soluble
121 G L -1.1218 Soluble
122 T L 0.0000 Buried
123 K L -0.8145 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.7161 Soluble
127 K L -1.4185 Soluble
128 R L -1.0602 Soluble
129 T L -0.0318 Soluble
130 V L 0.7630 Aggregation-prone
131 A L 0.2640 Aggregation-prone
132 A L -0.0658 Soluble
133 P L 0.0000 Buried
134 S L -0.0722 Soluble
135 V L 0.0000 Buried
136 F L 0.1443 Aggregation-prone
137 I L 0.0926 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6040 Soluble
140 P L -0.8304 Soluble
141 S L -1.7563 Soluble
142 D L -2.9245 Soluble
143 E L -2.9453 Soluble
144 Q L 0.0000 Buried
145 L L -2.0114 Soluble
146 K L -2.7679 Soluble
147 S L -1.7624 Soluble
148 G L -1.2678 Soluble
149 T L -0.9265 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.8110 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5094 Soluble
162 R L -2.8318 Soluble
163 E L -3.0822 Soluble
164 A L -2.2856 Soluble
165 K L -2.3451 Soluble
166 V L -1.1280 Soluble
167 Q L -0.7328 Soluble
168 W L 0.0000 Buried
169 K L -0.6006 Soluble
170 V L 0.0000 Buried
171 D L -1.5508 Soluble
172 N L -1.3901 Soluble
173 A L -0.2161 Soluble
174 L L 0.5857 Aggregation-prone
175 Q L -0.1674 Soluble
176 S L -0.4427 Soluble
177 G L -0.9101 Soluble
178 N L -0.8229 Soluble
179 S L -1.1785 Soluble
180 Q L -1.4591 Soluble
181 E L -1.9212 Soluble
182 S L -0.8453 Soluble
183 V L -0.8199 Soluble
184 T L -1.1485 Soluble
185 E L -2.1954 Soluble
186 Q L -1.7995 Soluble
187 D L -1.9008 Soluble
188 S L -1.7505 Soluble
189 K L -2.3042 Soluble
190 D L -1.8665 Soluble
191 S L -1.7133 Soluble
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.6520 Soluble
199 L L 0.0000 Buried
200 T L -0.5331 Soluble
201 L L -0.7726 Soluble
202 S L -1.1520 Soluble
203 K L -2.0892 Soluble
204 A L -1.8852 Soluble
205 D L -2.8561 Soluble
206 Y L 0.0000 Buried
207 E L -3.0799 Soluble
208 K L -3.3317 Soluble
209 H L -2.8554 Soluble
210 K L -2.9679 Soluble
211 V L -1.3843 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8960 Soluble
216 V L 0.0000 Buried
217 T L -1.3030 Soluble
218 H L 0.0000 Buried
219 Q L -1.4899 Soluble
220 G L -0.3891 Soluble
221 L L -0.2690 Soluble
222 S L -0.4949 Soluble
223 S L -0.4712 Soluble
224 P L -0.6214 Soluble
225 V L -0.0520 Soluble
226 T L -0.4745 Soluble
227 K L -0.5496 Soluble
228 S L -0.5307 Soluble
229 F L -1.1357 Soluble
230 N L -2.1517 Soluble
231 R L -2.1929 Soluble
232 G L -1.3989 Soluble

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 -0.7381 3.9256 CSV PDB
4.5 -0.7799 3.913 CSV PDB
5.0 -0.8285 3.9 CSV PDB
5.5 -0.875 3.8869 CSV PDB
6.0 -0.9091 3.8738 CSV PDB
6.5 -0.9225 3.8609 CSV PDB
7.0 -0.9144 3.8482 CSV PDB
7.5 -0.8918 3.8364 CSV PDB
8.0 -0.8611 3.8267 CSV PDB
8.5 -0.8241 3.8205 CSV PDB
9.0 -0.7807 3.8174 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH