Romlusevimab / 8gx9

A4DAB227_8gx9_P_M | Source PDB: 8gx9 | Chains: P, M | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6312
Max Score
1.6565
Min Score
-3.2047
Total Score
-269.53
Score CDR
-0.2021
Score non-CDR
-0.6856

Calculation Parameters

Chain Sequence(s) VQLVQSGSELKKPGASVKVSCKASGYTFTTYVMNWVRQAPGQGLEWMGWINTNTGNPTYAQGFTGRFVFSLDTSVSTASLQISSLKAEDTAVYYCSCEITTLGGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVESYVLTQPPSVSVAPGKTARITCGGNNIGSKSVHWYQQKPGQAPVLVIYYDSDRPSGIPERFSGSNSGNTATLTISGVEAGDEADYYCQVWDSISDHRVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP input.pdb
Selected Chain(s) P (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 -3.2047
Maximum Score 1.6565
Average Score -0.6312
Total Score -269.5255

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

Index Residue Chain A4D Score Classification
2 V P 1.1395 Aggregation-prone
3 Q P -0.3571 Soluble
4 L P 0.0000 Buried
5 V P -0.2353 Soluble
6 Q P 0.0000 Buried
7 S P -0.8183 Soluble
8 G P -0.8059 Soluble
9 S P -0.4183 Soluble
11 E P -0.4706 Soluble
12 L P 0.3904 Aggregation-prone
13 K P -1.0668 Soluble
14 K P -2.1061 Soluble
15 P P -1.7536 Soluble
16 G P -1.3886 Soluble
17 A P -1.0098 Soluble
18 S P -1.2594 Soluble
19 V P 0.0000 Buried
20 K P -1.9528 Soluble
21 V P 0.0000 Buried
22 S P -0.8988 Soluble
23 C P 0.0000 Buried
24 K P -0.9233 Soluble
25 A P 0.0000 Buried
26 S P -0.0600 Soluble
27 G P 0.1239 Aggregation-prone
28 Y P 0.3517 Aggregation-prone
29 T P 0.1833 Aggregation-prone
30 F P 0.0000 Buried
35 T P -0.4669 Soluble
36 T P 0.1058 Aggregation-prone
37 Y P 0.6719 Aggregation-prone
38 V P 0.4421 Aggregation-prone
39 M P 0.0000 Buried
40 N P 0.0000 Buried
41 W P 0.0000 Buried
42 V P 0.0000 Buried
43 R P -0.9699 Soluble
44 Q P -1.0639 Soluble
45 A P -1.2215 Soluble
46 P P -1.0315 Soluble
47 G P -1.2135 Soluble
48 Q P -1.9240 Soluble
49 G P -1.4637 Soluble
50 L P 0.0000 Buried
51 E P -2.0053 Soluble
52 W P 0.0000 Buried
53 M P 0.0000 Buried
54 G P 0.0000 Buried
55 W P -0.1699 Soluble
56 I P 0.0000 Buried
57 N P -1.0484 Soluble
58 T P 0.0000 Buried
59 N P -1.5605 Soluble
62 T P -1.2971 Soluble
63 G P -1.2741 Soluble
64 N P -1.7575 Soluble
65 P P -0.5844 Soluble
66 T P -0.5304 Soluble
67 Y P -0.0375 Soluble
68 A P -0.9029 Soluble
69 Q P -1.4757 Soluble
70 G P -1.1516 Soluble
71 F P 0.0000 Buried
72 T P -0.6086 Soluble
74 G P -0.7153 Soluble
75 R P -0.6478 Soluble
76 F P 0.0000 Buried
77 V P 0.5495 Aggregation-prone
78 F P 0.0000 Buried
79 S P -0.3911 Soluble
80 L P -0.4210 Soluble
81 D P -1.0003 Soluble
82 T P -0.5785 Soluble
83 S P 0.0094 Aggregation-prone
84 V P 0.6080 Aggregation-prone
85 S P -0.1107 Soluble
86 T P -0.4365 Soluble
87 A P 0.0000 Buried
88 S P 0.0000 Buried
89 L P 0.0000 Buried
90 Q P -1.0865 Soluble
91 I P 0.0000 Buried
92 S P -0.8780 Soluble
93 S P -0.9873 Soluble
94 L P 0.0000 Buried
95 K P -2.0948 Soluble
96 A P -1.7274 Soluble
97 E P -2.1600 Soluble
98 D P 0.0000 Buried
99 T P -0.7303 Soluble
100 A P 0.0000 Buried
101 V P -0.0456 Soluble
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 S P 0.0000 Buried
106 C P 0.0000 Buried
107 E P 0.0000 Buried
108 I P 1.4983 Aggregation-prone
109 T P 0.9335 Aggregation-prone
110 T P 0.6137 Aggregation-prone
112 L P 1.4181 Aggregation-prone
113 G P 0.6276 Aggregation-prone
114 G P 0.0000 Buried
115 M P 0.0000 Buried
116 D P -0.4511 Soluble
117 V P 0.1497 Aggregation-prone
118 W P -0.1455 Soluble
119 G P 0.0000 Buried
120 Q P -1.4315 Soluble
121 G P -0.8360 Soluble
122 T P 0.0000 Buried
123 T P -0.2285 Soluble
124 V P 0.0000 Buried
125 T P -0.4362 Soluble
126 V P 0.0000 Buried
127 S P -0.9540 Soluble
128 S P -1.1424 Soluble
129 A P -0.7305 Soluble
130 S P -0.7267 Soluble
131 T P -0.7186 Soluble
132 K P -1.1270 Soluble
133 G P -1.3730 Soluble
134 P P -0.5704 Soluble
135 S P -0.1817 Soluble
136 V P 0.0000 Buried
137 F P 0.0000 Buried
138 P P -0.9442 Soluble
139 L P 0.0000 Buried
140 A P -0.9394 Soluble
141 P P -0.7132 Soluble
142 S P -0.8751 Soluble
143 S P -0.9389 Soluble
144 K P -1.4475 Soluble
145 S P -0.8566 Soluble
146 T P -0.9087 Soluble
147 S P -0.8722 Soluble
148 G P -0.8581 Soluble
149 G P -0.9201 Soluble
150 T P -0.6506 Soluble
151 A P 0.0000 Buried
152 A P 0.0000 Buried
153 L P 0.0000 Buried
154 G P 0.0000 Buried
155 C P 0.0000 Buried
156 L P 0.0000 Buried
157 V P 0.0000 Buried
158 K P 0.0000 Buried
159 D P -0.2104 Soluble
160 Y P 0.0000 Buried
161 F P 0.0000 Buried
162 P P -0.8726 Soluble
163 E P -1.2492 Soluble
164 P P -1.2762 Soluble
165 V P -1.0634 Soluble
166 T P -0.8918 Soluble
167 V P -0.4344 Soluble
168 S P -0.4363 Soluble
169 W P 0.0000 Buried
170 N P -0.7988 Soluble
171 S P -0.6365 Soluble
172 G P -0.4894 Soluble
173 A P -0.2296 Soluble
174 L P -0.0581 Soluble
175 T P -0.2092 Soluble
176 S P -0.2884 Soluble
177 G P -0.3460 Soluble
178 V P 0.1477 Aggregation-prone
179 H P -0.1606 Soluble
180 T P -0.0023 Soluble
181 F P 0.0000 Buried
182 P P -0.1737 Soluble
183 A P 0.1732 Aggregation-prone
184 V P 0.0000 Buried
185 L P 1.1000 Aggregation-prone
186 Q P 0.2821 Aggregation-prone
187 S P -0.1047 Soluble
188 S P -0.1160 Soluble
189 G P 0.1440 Aggregation-prone
190 L P 0.1129 Aggregation-prone
191 Y P 0.3170 Aggregation-prone
192 S P 0.0000 Buried
193 L P 0.0000 Buried
194 S P 0.0000 Buried
195 S P 0.0000 Buried
196 V P 0.1865 Aggregation-prone
197 V P 0.0000 Buried
198 T P -0.2468 Soluble
199 V P 0.0000 Buried
200 P P -0.5875 Soluble
201 S P -0.6051 Soluble
202 S P -0.5021 Soluble
203 S P -0.4483 Soluble
204 L P -0.4941 Soluble
205 G P -0.8453 Soluble
206 T P -0.6254 Soluble
207 Q P -0.9615 Soluble
208 T P -1.0613 Soluble
209 Y P 0.0000 Buried
210 I P -1.1456 Soluble
211 C P 0.0000 Buried
212 N P -1.4319 Soluble
213 V P 0.0000 Buried
214 N P -2.5300 Soluble
215 H P 0.0000 Buried
216 K P -3.0153 Soluble
217 P P -1.8121 Soluble
218 S P -1.9948 Soluble
219 N P -2.7146 Soluble
220 T P -2.3179 Soluble
221 K P -2.7846 Soluble
222 V P -1.3738 Soluble
223 D P -2.2125 Soluble
224 K P -1.9640 Soluble
225 K P -2.4913 Soluble
226 V P 0.0000 Buried
227 E P -2.2295 Soluble
1 S M 0.0572 Aggregation-prone
2 Y M 0.8527 Aggregation-prone
3 V M 1.6565 Aggregation-prone
4 L M 0.5932 Aggregation-prone
5 T M 0.0206 Aggregation-prone
6 Q M -0.5869 Soluble
7 P M -0.6142 Soluble
8 P M -0.9254 Soluble
9 S M -0.9360 Soluble
11 V M -0.7094 Soluble
12 S M -0.4113 Soluble
13 V M 0.0000 Buried
14 A M -0.7941 Soluble
15 P M -1.3753 Soluble
16 G M -1.9122 Soluble
17 K M -2.4893 Soluble
18 T M -1.5816 Soluble
19 A M 0.0000 Buried
20 R M -2.0508 Soluble
21 I M 0.0000 Buried
22 T M -0.7195 Soluble
23 C M 0.0000 Buried
24 G M -0.7553 Soluble
25 G M -1.1181 Soluble
26 N M -2.0629 Soluble
27 N M -2.8796 Soluble
28 I M 0.0000 Buried
29 G M -1.8687 Soluble
36 S M -1.4655 Soluble
37 K M -1.2100 Soluble
38 S M -0.1505 Soluble
39 V M 0.0000 Buried
40 H M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M -0.1221 Soluble
44 Q M 0.0000 Buried
45 K M -1.2244 Soluble
46 P M -1.1457 Soluble
47 G M -1.4514 Soluble
48 Q M -1.7180 Soluble
49 A M -0.7395 Soluble
50 P M 0.0000 Buried
51 V M 1.1265 Aggregation-prone
52 L M 0.0000 Buried
53 V M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.1495 Soluble
56 Y M 0.2571 Aggregation-prone
57 D M -0.7262 Soluble
65 S M -1.1002 Soluble
66 D M -1.8580 Soluble
67 R M -2.0056 Soluble
68 P M -1.2957 Soluble
69 S M -0.9549 Soluble
70 G M -0.8317 Soluble
71 I M -0.5975 Soluble
72 P M -1.2954 Soluble
74 E M -2.2591 Soluble
75 R M -1.6034 Soluble
76 F M 0.0000 Buried
77 S M -1.1786 Soluble
78 G M -0.8855 Soluble
79 S M -0.5978 Soluble
80 N M -1.0264 Soluble
83 S M -1.3981 Soluble
84 G M -1.9340 Soluble
85 N M -2.7077 Soluble
86 T M -1.4034 Soluble
87 A M 0.0000 Buried
88 T M -0.7291 Soluble
89 L M 0.0000 Buried
90 T M -0.9684 Soluble
91 I M 0.0000 Buried
92 S M -1.6533 Soluble
93 G M -1.7399 Soluble
94 V M 0.0000 Buried
95 E M -2.5049 Soluble
96 A M -1.1667 Soluble
97 G M -1.1585 Soluble
98 D M 0.0000 Buried
99 E M -1.1888 Soluble
100 A M 0.0000 Buried
101 D M 0.0000 Buried
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 V M 0.0000 Buried
107 W M 0.0371 Aggregation-prone
108 D M -0.2551 Soluble
109 S M 0.1670 Aggregation-prone
110 I M 1.4441 Aggregation-prone
113 S M 0.1967 Aggregation-prone
114 D M -0.5375 Soluble
115 H M -0.4362 Soluble
116 R M 0.0000 Buried
117 V M 0.1461 Aggregation-prone
118 F M 0.0000 Buried
119 G M 0.0000 Buried
120 G M -0.8580 Soluble
121 G M 0.0000 Buried
122 T M 0.0000 Buried
123 K M -1.9706 Soluble
124 L M 0.0000 Buried
125 T M -0.4474 Soluble
126 V M 0.0000 Buried
127 L M 0.0802 Aggregation-prone
128 G M -0.8097 Soluble
129 Q M -1.5144 Soluble
130 P M -1.4357 Soluble
131 K M -2.2427 Soluble
132 A M -1.4211 Soluble
133 A M -0.7903 Soluble
134 P M 0.0000 Buried
135 S M -0.2997 Soluble
136 V M 0.0000 Buried
137 T M -0.5193 Soluble
138 L M 0.0000 Buried
139 F M 0.0000 Buried
140 P M -0.3096 Soluble
141 P M -0.4414 Soluble
142 S M -0.8036 Soluble
143 S M -1.3468 Soluble
144 E M -2.0526 Soluble
145 E M 0.0000 Buried
146 L M -1.7221 Soluble
147 Q M -2.1330 Soluble
148 A M -1.6342 Soluble
149 N M -2.2999 Soluble
150 K M -1.8598 Soluble
151 A M 0.0000 Buried
152 T M 0.0000 Buried
153 L M 0.0000 Buried
154 V M 0.0000 Buried
155 C M 0.0000 Buried
156 L M 0.0000 Buried
157 I M 0.0000 Buried
158 S M -0.6998 Soluble
159 D M -1.3948 Soluble
160 F M 0.0000 Buried
161 Y M 0.0000 Buried
162 P M -1.2204 Soluble
163 G M -0.7976 Soluble
164 A M -0.2248 Soluble
165 V M -0.1161 Soluble
166 T M -0.0751 Soluble
167 V M -0.2032 Soluble
168 A M -0.5365 Soluble
169 W M 0.0000 Buried
170 K M -1.0914 Soluble
171 A M 0.0000 Buried
172 D M -1.7895 Soluble
173 S M -1.1267 Soluble
174 S M -0.7929 Soluble
175 P M -0.9189 Soluble
176 V M -0.7386 Soluble
177 K M -1.6271 Soluble
178 A M -0.8131 Soluble
179 G M -0.7112 Soluble
180 V M -0.6342 Soluble
181 E M -0.5534 Soluble
182 T M -0.0803 Soluble
183 T M -0.0361 Soluble
184 T M -0.3810 Soluble
185 P M -0.5256 Soluble
186 S M -1.1425 Soluble
187 K M -2.4880 Soluble
188 Q M -2.0206 Soluble
189 S M -1.6598 Soluble
190 N M -2.3285 Soluble
191 N M -2.7226 Soluble
192 K M -2.4365 Soluble
193 Y M -1.5747 Soluble
194 A M 0.0000 Buried
195 A M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 Y M 0.0000 Buried
199 L M 0.0000 Buried
200 S M -0.3969 Soluble
201 L M 0.0000 Buried
202 T M -1.6159 Soluble
203 P M -2.2951 Soluble
204 E M -3.0980 Soluble
205 Q M -2.4276 Soluble
206 W M 0.0000 Buried
207 K M -3.2047 Soluble
208 S M -2.4242 Soluble
209 H M -2.5701 Soluble
210 R M -2.6796 Soluble
211 S M 0.0000 Buried
212 Y M 0.0000 Buried
213 S M 0.0000 Buried
214 C M 0.0000 Buried
215 Q M -1.0124 Soluble
216 V M 0.0000 Buried
217 T M -0.6798 Soluble
218 H M 0.0000 Buried
219 E M -2.3288 Soluble
220 G M -1.4343 Soluble
221 S M -0.8764 Soluble
222 T M -0.7258 Soluble
223 V M -0.6267 Soluble
224 E M -1.9016 Soluble
225 K M -1.4898 Soluble
226 T M -1.0598 Soluble
227 V M 0.0000 Buried
228 A M -1.1302 Soluble
229 P M -1.2092 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
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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 -0.5549 2.6477 CSV PDB
4.5 -0.5887 2.6163 CSV PDB
5.0 -0.6286 2.5658 CSV PDB
5.5 -0.6656 2.5027 CSV PDB
6.0 -0.6891 2.4341 CSV PDB
6.5 -0.6909 2.3635 CSV PDB
7.0 -0.6707 2.2923 CSV PDB
7.5 -0.636 2.221 CSV PDB
8.0 -0.5938 2.1503 CSV PDB
8.5 -0.5467 2.0811 CSV PDB
9.0 -0.4955 2.0165 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH