Relatlimab / 7um3

A4DAB222_7um3_I_M | Source PDB: 7um3 | Chains: I, M | Done
99.12
Yes
10 Å
Yes
Avg A4D Score
-0.6883
Max Score
1.7137
Min Score
-3.4138
Total Score
-294.61
Score CDR
-0.3144
Score non-CDR
-0.7323

Calculation Parameters

Chain Sequence(s) QVQLQQWGAGLLKPSETLSLTCAVYGFSDYYWNWIRQPPGKGLEWIGEINHNGNTNSNPSLKSRVTLSLDTSKNQFSLKLRSVTAADTAVYYCAFGYSDYEYNWFDPWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSEIVLTQSPATLSLSPGERATLSCRASQSISSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPLTFGQGTNLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) I (Heavy), M (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 -3.4138
Maximum Score 1.7137
Average Score -0.6883
Total Score -294.6133

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

Index Residue Chain A4D Score Classification
1 Q I -1.3381 Soluble
2 V I -0.5200 Soluble
3 Q I -1.3236 Soluble
4 L I -0.9303 Soluble
5 Q I -1.4014 Soluble
6 Q I -0.6893 Soluble
7 W I 0.0180 Aggregation-prone
8 G I 0.2718 Aggregation-prone
9 A I 0.3933 Aggregation-prone
11 G I 0.7430 Aggregation-prone
12 L I 0.4401 Aggregation-prone
13 L I 0.0000 Buried
14 K I -2.0471 Soluble
15 P I -1.5583 Soluble
16 S I -1.5634 Soluble
17 E I -2.1175 Soluble
18 T I -1.5830 Soluble
19 L I 0.0000 Buried
20 S I -0.7265 Soluble
21 L I 0.0000 Buried
22 T I -0.3156 Soluble
23 C I 0.0000 Buried
24 A I 0.0000 Buried
25 V I 0.0000 Buried
26 Y I -0.4643 Soluble
27 G I -0.3673 Soluble
28 F I 1.7137 Aggregation-prone
29 S I 0.5273 Aggregation-prone
36 D I -0.0975 Soluble
37 Y I 0.1114 Aggregation-prone
38 Y I -0.0848 Soluble
39 W I 0.0000 Buried
40 N I 0.0000 Buried
41 W I 0.0000 Buried
42 I I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.6561 Soluble
45 P I -0.7450 Soluble
46 P I -0.9070 Soluble
47 G I -1.5268 Soluble
48 K I -2.3687 Soluble
49 G I -1.5722 Soluble
50 L I 0.0000 Buried
51 E I -0.8928 Soluble
52 W I 0.0000 Buried
53 I I 0.0000 Buried
54 G I 0.0000 Buried
55 E I 0.0000 Buried
56 I I 0.0000 Buried
57 N I 0.0000 Buried
58 H I -1.4029 Soluble
59 N I -1.9191 Soluble
63 G I -1.5121 Soluble
64 N I -1.3206 Soluble
65 T I -0.8441 Soluble
66 N I -0.6160 Soluble
67 S I -0.6438 Soluble
68 N I -0.9839 Soluble
69 P I -1.2662 Soluble
70 S I -1.0613 Soluble
71 L I 0.0000 Buried
72 K I -2.0382 Soluble
74 S I -1.3343 Soluble
75 R I -1.4136 Soluble
76 V I -0.9382 Soluble
77 T I -0.5588 Soluble
78 L I -0.1851 Soluble
79 S I -0.4670 Soluble
80 L I -0.9426 Soluble
81 D I -1.8990 Soluble
82 T I -1.5714 Soluble
83 S I -1.6601 Soluble
84 K I -2.4965 Soluble
85 N I -1.9621 Soluble
86 Q I -1.7221 Soluble
87 F I 0.0000 Buried
88 S I -0.5128 Soluble
89 L I 0.0000 Buried
90 K I -1.2527 Soluble
91 L I 0.0000 Buried
92 R I -1.5998 Soluble
93 S I -1.3619 Soluble
94 V I 0.0000 Buried
95 T I -0.7369 Soluble
96 A I -0.2589 Soluble
97 A I 0.0461 Aggregation-prone
98 D I 0.0000 Buried
99 T I 0.3322 Aggregation-prone
100 A I 0.0000 Buried
101 V I 0.6011 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 F I 0.0000 Buried
107 G I 0.0000 Buried
108 Y I 0.0000 Buried
109 S I 0.5067 Aggregation-prone
110 D I 0.5324 Aggregation-prone
111 Y I 0.8394 Aggregation-prone
112A E I -0.7731 Soluble
112 Y I 0.4830 Aggregation-prone
113 N I -0.3961 Soluble
114 W I -0.1755 Soluble
115 F I 0.3202 Aggregation-prone
116 D I 0.0000 Buried
117 P I -0.5251 Soluble
118 W I -0.8695 Soluble
119 G I 0.0000 Buried
120 Q I -1.4100 Soluble
121 G I 0.0000 Buried
122 T I 0.5960 Aggregation-prone
123 L I 1.3771 Aggregation-prone
124 V I 0.0000 Buried
125 T I 0.0000 Buried
126 V I 0.0000 Buried
127 S I -0.6330 Soluble
128 S I -0.8177 Soluble
129 A I -0.6467 Soluble
130 S I -0.6509 Soluble
131 T I -0.6328 Soluble
132 K I -1.2393 Soluble
133 G I -1.4428 Soluble
134 P I 0.0000 Buried
135 S I -0.2642 Soluble
136 V I 0.0000 Buried
137 F I 0.0000 Buried
138 P I -1.3960 Soluble
139 L I 0.0000 Buried
140 A I -1.2930 Soluble
141 P I 0.0000 Buried
142 S I -0.8063 Soluble
143 S I -0.8706 Soluble
144 G I -0.6256 Soluble
145 T I -0.4646 Soluble
146 A I 0.0000 Buried
147 A I 0.0000 Buried
148 L I 0.0000 Buried
149 G I 0.0000 Buried
150 C I 0.0000 Buried
151 L I 0.0000 Buried
152 V I 0.0000 Buried
153 K I 0.0000 Buried
154 D I -0.3488 Soluble
155 Y I 0.0000 Buried
156 F I 0.0000 Buried
157 P I 0.0000 Buried
158 E I -0.5537 Soluble
159 P I -0.8162 Soluble
160 V I -0.8970 Soluble
161 T I -0.7826 Soluble
162 V I -0.4533 Soluble
163 S I -0.4342 Soluble
164 W I 0.0000 Buried
165 N I -0.7723 Soluble
166 S I -0.6686 Soluble
167 G I -0.5260 Soluble
168 A I -0.2731 Soluble
169 L I -0.0479 Soluble
170 T I -0.1836 Soluble
171 S I -0.3557 Soluble
172 G I -0.2235 Soluble
173 V I 0.2356 Aggregation-prone
174 H I 0.0000 Buried
175 T I -0.0627 Soluble
176 F I 0.0000 Buried
177 P I -0.4043 Soluble
178 A I -0.0086 Soluble
179 V I 0.1727 Aggregation-prone
180 L I 0.8576 Aggregation-prone
181 Q I 0.1765 Aggregation-prone
182 S I -0.0918 Soluble
183 S I -0.1986 Soluble
184 G I -0.0026 Soluble
185 L I 0.0220 Aggregation-prone
186 Y I 0.2503 Aggregation-prone
187 S I 0.0000 Buried
188 L I 0.0000 Buried
189 S I 0.0000 Buried
190 S I 0.0000 Buried
191 V I 0.0000 Buried
192 V I 0.0000 Buried
193 T I -0.1010 Soluble
194 V I 0.0000 Buried
195 P I -0.5210 Soluble
196 S I -0.6096 Soluble
197 S I -0.5866 Soluble
198 S I -0.5659 Soluble
199 L I -0.7363 Soluble
200 G I -0.9172 Soluble
201 T I -0.6902 Soluble
202 Q I -1.1568 Soluble
203 T I -1.0636 Soluble
204 Y I 0.0000 Buried
205 I I -1.1990 Soluble
206 C I 0.0000 Buried
207 N I -1.5905 Soluble
208 V I 0.0000 Buried
209 N I -2.4334 Soluble
210 H I 0.0000 Buried
211 K I -2.9286 Soluble
212 P I -1.6304 Soluble
213 S I -1.9296 Soluble
214 N I -2.6756 Soluble
215 T I -2.2167 Soluble
216 K I -2.9060 Soluble
217 V I -1.8758 Soluble
218 D I -2.6144 Soluble
219 K I -2.2306 Soluble
220 R I -2.6144 Soluble
221 V I 0.0000 Buried
222 E I -2.8999 Soluble
223 P I -2.0052 Soluble
224 K I -2.8393 Soluble
225 S I -1.6301 Soluble
1 E M -1.7217 Soluble
2 I M 0.0000 Buried
3 V M 0.4338 Aggregation-prone
4 L M 0.0000 Buried
5 T M -0.7948 Soluble
6 Q M 0.0000 Buried
7 S M -0.6832 Soluble
8 P M -0.1943 Soluble
9 A M -0.2720 Soluble
10 T M -0.0444 Soluble
11 L M 0.0052 Aggregation-prone
12 S M -0.4211 Soluble
13 L M -0.9960 Soluble
14 S M -1.4060 Soluble
15 P M -1.7987 Soluble
16 G M -1.8901 Soluble
17 E M -2.5098 Soluble
18 R M -2.6717 Soluble
19 A M 0.0000 Buried
20 T M -0.5275 Soluble
21 L M 0.0000 Buried
22 S M -0.9286 Soluble
23 C M 0.0000 Buried
24 R M -2.4816 Soluble
25 A M 0.0000 Buried
26 S M -1.1424 Soluble
27 Q M -1.7740 Soluble
28 S M -1.2353 Soluble
29 I M 0.0000 Buried
36 S M -0.5095 Soluble
37 S M -0.2561 Soluble
38 Y M 0.4937 Aggregation-prone
39 L M 0.0000 Buried
40 A M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 K M -1.6260 Soluble
46 P M -1.4415 Soluble
47 G M -1.4261 Soluble
48 Q M -2.1128 Soluble
49 A M -1.5272 Soluble
50 P M 0.0000 Buried
51 R M -1.9217 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.7660 Soluble
56 D M -1.0318 Soluble
57 A M 0.0000 Buried
65 S M -1.3106 Soluble
66 N M -2.0922 Soluble
67 R M -2.0344 Soluble
68 A M -1.1570 Soluble
69 T M -0.7480 Soluble
70 G M -0.7149 Soluble
71 I M 0.0000 Buried
72 P M -0.5100 Soluble
74 A M -0.4559 Soluble
75 R M -0.8949 Soluble
76 F M 0.0000 Buried
77 S M -0.8176 Soluble
78 G M -0.9263 Soluble
79 S M -0.9296 Soluble
80 G M -1.0613 Soluble
83 S M -0.7780 Soluble
84 G M -1.0902 Soluble
85 T M -1.9029 Soluble
86 D M -2.5182 Soluble
87 F M 0.0000 Buried
88 T M -0.8442 Soluble
89 L M 0.0000 Buried
90 T M -0.6477 Soluble
91 I M 0.0000 Buried
92 S M -1.5572 Soluble
93 S M -1.8560 Soluble
94 L M 0.0000 Buried
95 E M -2.2185 Soluble
96 P M -1.6988 Soluble
97 E M -2.3268 Soluble
98 D M 0.0000 Buried
99 F M -0.5931 Soluble
100 A M 0.0000 Buried
101 V M -0.1117 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 Q M 0.0000 Buried
107 R M -0.2875 Soluble
108 S M -0.5900 Soluble
109 N M -1.3377 Soluble
114 W M -0.8220 Soluble
115 P M -0.8250 Soluble
116 L M 0.0000 Buried
117 T M -0.2800 Soluble
118 F M 0.0111 Aggregation-prone
119 G M 0.0000 Buried
120 Q M -1.3812 Soluble
121 G M -0.9088 Soluble
122 T M 0.0000 Buried
123 N M -0.3292 Soluble
124 L M 0.0000 Buried
125 E M 0.0000 Buried
126 I M -0.6564 Soluble
127 K M -1.4455 Soluble
128 R M -1.0211 Soluble
129 T M -0.1607 Soluble
130 V M 0.2846 Aggregation-prone
131 A M 0.0181 Aggregation-prone
132 A M -0.1087 Soluble
133 P M 0.0000 Buried
134 S M -0.1368 Soluble
135 V M 0.0000 Buried
136 F M 0.1037 Aggregation-prone
137 I M 0.0398 Aggregation-prone
138 F M 0.0000 Buried
139 P M -0.7263 Soluble
140 P M -0.8125 Soluble
141 S M -1.9215 Soluble
142 D M -3.2137 Soluble
143 E M -3.2619 Soluble
144 Q M 0.0000 Buried
145 L M -2.2639 Soluble
146 K M -2.8514 Soluble
147 S M -1.7670 Soluble
148 G M -1.1989 Soluble
149 T M -1.0006 Soluble
150 A M 0.0000 Buried
151 S M 0.0000 Buried
152 V M 0.0000 Buried
153 V M 0.0000 Buried
154 C M 0.0000 Buried
155 L M 0.0000 Buried
156 L M 0.0000 Buried
157 N M 0.0000 Buried
158 N M -0.7334 Soluble
159 F M 0.0000 Buried
160 Y M 0.0000 Buried
161 P M -1.2983 Soluble
162 R M -1.9956 Soluble
163 E M -2.6857 Soluble
164 A M -2.0218 Soluble
165 K M -2.3264 Soluble
166 V M -1.0875 Soluble
167 Q M -0.4860 Soluble
168 W M 0.0000 Buried
169 K M -0.5596 Soluble
170 V M 0.0000 Buried
171 D M -2.0420 Soluble
172 N M -1.5832 Soluble
173 A M -0.2861 Soluble
174 L M 0.8088 Aggregation-prone
175 Q M -0.1274 Soluble
176 S M -0.3733 Soluble
177 G M -0.8688 Soluble
178 N M -0.7568 Soluble
179 S M -1.0977 Soluble
180 Q M -1.4367 Soluble
181 E M -1.9132 Soluble
182 S M -0.8936 Soluble
183 V M -0.5362 Soluble
184 T M -0.8769 Soluble
185 E M -2.1155 Soluble
186 Q M -1.6687 Soluble
187 D M -1.8128 Soluble
188 S M -1.6481 Soluble
189 K M -2.1876 Soluble
190 D M -1.5704 Soluble
191 S M -1.6079 Soluble
192 T M 0.0000 Buried
193 Y M 0.0000 Buried
194 S M 0.0000 Buried
195 L M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 T M -0.6729 Soluble
199 L M 0.0000 Buried
200 T M -0.4104 Soluble
201 L M -0.6159 Soluble
202 S M -0.9625 Soluble
203 K M -1.8529 Soluble
204 A M -1.7520 Soluble
205 D M -2.4566 Soluble
206 Y M 0.0000 Buried
207 E M -3.1370 Soluble
208 K M -3.4138 Soluble
209 H M -2.9596 Soluble
210 K M -2.8188 Soluble
211 V M -1.5769 Soluble
212 Y M 0.0000 Buried
213 A M 0.0000 Buried
214 C M 0.0000 Buried
215 E M -0.8452 Soluble
216 V M 0.0000 Buried
217 T M -1.1884 Soluble
218 H M 0.0000 Buried
219 Q M -1.6829 Soluble
220 G M -0.4901 Soluble
221 L M -0.2851 Soluble
222 S M -0.4958 Soluble
223 S M -0.4420 Soluble
224 P M -0.5051 Soluble
225 V M -0.0403 Soluble
226 T M -0.4809 Soluble
227 K M -0.7532 Soluble
228 S M -0.7092 Soluble
229 F M -1.1593 Soluble
230 N M -2.2103 Soluble
231 R M -2.4164 Soluble
232 G M -2.1072 Soluble
233 E M -2.6413 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 -0.6829 3.549 CSV PDB
4.5 -0.727 3.5018 CSV PDB
5.0 -0.7782 3.4527 CSV PDB
5.5 -0.8261 3.4028 CSV PDB
6.0 -0.8593 3.3529 CSV PDB
6.5 -0.8698 3.3034 CSV PDB
7.0 -0.8578 3.2552 CSV PDB
7.5 -0.8299 3.2104 CSV PDB
8.0 -0.793 3.1728 CSV PDB
8.5 -0.7496 3.1457 CSV PDB
9.0 -0.7008 3.1292 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH