Ramucirumab / 3s37

A4DAB217_3s37_H_L | Source PDB: 3s37 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6493
Max Score
1.7725
Min Score
-3.5921
Total Score
-273.36
Score CDR
-0.2896
Score non-CDR
-0.6902

Calculation Parameters

Chain Sequence(s) VQLVQSGGGLVKPGGSLRLSCAASGFTFSSYSMNWVRQAPGKGLEWVSSISSSSSYIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARVTDAFDIWGQGTMVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPIQMTQSPSSVSASIGDRVTITCRASQGIDNWLGWYQQKPGKAPKLLIYDASNLDTGVPSRFSGSGSGTYFTLTISSLQAEDFAVYFCQQAKAFPPTFGGGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.5921
Maximum Score 1.7725
Average Score -0.6493
Total Score -273.3639

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

Index Residue Chain A4D Score Classification
2 V H 1.0421 Aggregation-prone
3 Q H -0.3159 Soluble
4 L H 0.0000 Buried
5 V H 0.3975 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.6371 Soluble
8 G H -1.1350 Soluble
9 G H -0.4883 Soluble
11 G H 0.0995 Aggregation-prone
12 L H 0.6321 Aggregation-prone
13 V H -0.5412 Soluble
14 K H -1.9849 Soluble
15 P H -1.8226 Soluble
16 G H -1.4875 Soluble
17 G H -1.0767 Soluble
18 S H -1.1154 Soluble
19 L H -1.0972 Soluble
20 R H -2.4110 Soluble
21 L H 0.0000 Buried
22 S H -0.7027 Soluble
23 C H 0.0000 Buried
24 A H -0.3858 Soluble
25 A H 0.0000 Buried
26 S H -0.2256 Soluble
27 G H -0.0026 Soluble
28 F H 0.1413 Aggregation-prone
29 T H -0.2249 Soluble
30 F H 0.0000 Buried
35 S H -0.7606 Soluble
36 S H -0.2147 Soluble
37 Y H 0.2268 Aggregation-prone
38 S H 0.2663 Aggregation-prone
39 M H 0.0000 Buried
40 N 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 -0.8145 Soluble
45 A H -1.2160 Soluble
46 P H -0.8716 Soluble
47 G H -1.3930 Soluble
48 K H -2.3049 Soluble
49 G H -1.5100 Soluble
50 L H 0.0000 Buried
51 E H -1.1428 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 S H 0.0000 Buried
56 I H 0.0000 Buried
57 S H 0.4960 Aggregation-prone
58 S H -0.2580 Soluble
59 S H -0.4269 Soluble
62 S H -0.0520 Soluble
63 S H 0.4598 Aggregation-prone
64 Y H 1.6830 Aggregation-prone
65 I H 1.7720 Aggregation-prone
66 Y H 1.3688 Aggregation-prone
67 Y H -0.3379 Soluble
68 A H -1.0950 Soluble
69 D H -2.3958 Soluble
70 S H -1.8105 Soluble
71 V H 0.0000 Buried
72 K H -2.4676 Soluble
74 G H -1.7237 Soluble
75 R H -1.4849 Soluble
76 F H 0.0000 Buried
77 T H -0.8457 Soluble
78 I H 0.0000 Buried
79 S H -0.5376 Soluble
80 R H -1.1293 Soluble
81 D H -1.7811 Soluble
82 N H -1.6711 Soluble
83 A H -1.4011 Soluble
84 K H -2.3143 Soluble
85 N H -1.7118 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.8472 Soluble
91 M H 0.0000 Buried
92 N H -1.3743 Soluble
93 S H -1.2675 Soluble
94 L H 0.0000 Buried
95 R H -2.4773 Soluble
96 A H -1.8101 Soluble
97 E H -2.2703 Soluble
98 D H 0.0000 Buried
99 T H 0.0000 Buried
100 A H 0.0000 Buried
101 V H 0.2597 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 -0.1063 Soluble
107 V H -0.1351 Soluble
108 T H -0.7192 Soluble
109 D H -1.8952 Soluble
114 A H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.7264 Soluble
117 I H -0.1565 Soluble
118 W H -0.6472 Soluble
119 G H 0.0000 Buried
120 Q H -1.4991 Soluble
121 G H -0.7045 Soluble
122 T H -0.0725 Soluble
123 M H 0.4577 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -0.9172 Soluble
129 A H -0.6802 Soluble
130 S H -0.6174 Soluble
131 T H -0.7163 Soluble
132 K H -1.2083 Soluble
133 G H -1.3586 Soluble
134 P H 0.0000 Buried
135 S H -0.4247 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1968 Soluble
139 L H 0.0000 Buried
140 A H -0.8268 Soluble
141 P H 0.0000 Buried
142 S H -0.6063 Soluble
143 G H -0.6362 Soluble
144 T H -0.5012 Soluble
145 A H -0.2947 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.4771 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H -0.6657 Soluble
157 E H -0.9250 Soluble
158 P H -0.9747 Soluble
159 V H -0.8139 Soluble
160 T H -0.7053 Soluble
161 V H -0.2598 Soluble
162 S H -0.4494 Soluble
163 W H 0.0000 Buried
164 N H -0.7858 Soluble
165 S H -0.6694 Soluble
166 G H -0.5723 Soluble
167 A H -0.2570 Soluble
168 L H -0.0508 Soluble
169 T H -0.2152 Soluble
170 S H -0.4148 Soluble
171 G H -0.2237 Soluble
172 V H 0.0889 Aggregation-prone
173 H H -0.3165 Soluble
174 T H 0.0169 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.5700 Soluble
177 A H -0.1495 Soluble
178 V H -0.0812 Soluble
179 L H 0.2097 Aggregation-prone
180 Q H -0.1704 Soluble
181 S H -0.2915 Soluble
182 S H -0.3360 Soluble
183 G H 0.0000 Buried
184 L H -0.2506 Soluble
185 Y H 0.0000 Buried
186 S H -0.0764 Soluble
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1499 Soluble
193 V H 0.0000 Buried
194 P H -0.6031 Soluble
195 S H -0.6014 Soluble
196 S H -0.6223 Soluble
197 S H -0.6134 Soluble
198 L H -0.8712 Soluble
199 G H -1.0575 Soluble
200 T H -0.7117 Soluble
201 Q H -1.2263 Soluble
202 T H -1.1553 Soluble
203 Y H 0.0000 Buried
204 I H -1.2599 Soluble
205 C H 0.0000 Buried
206 N H -1.6001 Soluble
207 V H 0.0000 Buried
208 N H -2.2384 Soluble
209 H H 0.0000 Buried
210 K H -2.8429 Soluble
211 P H -1.6718 Soluble
212 S H -1.8701 Soluble
213 N H -2.6189 Soluble
214 T H -2.1468 Soluble
215 K H -2.8436 Soluble
216 V H -1.9019 Soluble
217 D H -2.6637 Soluble
218 K H -2.1150 Soluble
219 R H -2.7127 Soluble
220 V H 0.0000 Buried
221 E H -2.5255 Soluble
222 P H -1.2233 Soluble
2 I L -0.1756 Soluble
3 Q L -1.3760 Soluble
4 M L 0.0000 Buried
5 T L -1.0789 Soluble
6 Q L -0.8232 Soluble
7 S L -0.6994 Soluble
8 P L -0.5008 Soluble
9 S L -0.6300 Soluble
10 S L -0.6689 Soluble
11 V L -0.2919 Soluble
12 S L -0.7733 Soluble
13 A L 0.0000 Buried
14 S L -0.0555 Soluble
15 I L 0.9290 Aggregation-prone
16 G L -0.3725 Soluble
17 D L -1.3116 Soluble
18 R L -2.1322 Soluble
19 V L 0.0000 Buried
20 T L -0.6114 Soluble
21 I L 0.0000 Buried
22 T L -0.2845 Soluble
23 C L 0.0000 Buried
24 R L -1.3430 Soluble
25 A L 0.0000 Buried
26 S L -1.1388 Soluble
27 Q L -1.8471 Soluble
28 G L -1.5626 Soluble
29 I L 0.0000 Buried
36 D L -2.4556 Soluble
37 N L -1.7214 Soluble
38 W L -1.1575 Soluble
39 L L 0.0000 Buried
40 G 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 -1.0657 Soluble
45 K L -1.5153 Soluble
46 P L -1.4647 Soluble
47 G L -1.6934 Soluble
48 K L -2.5917 Soluble
49 A L -1.6869 Soluble
50 P L 0.0000 Buried
51 K L -1.5783 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -1.3121 Soluble
56 D L -2.2260 Soluble
57 A L 0.0000 Buried
65 S L -1.2919 Soluble
66 N L -1.6623 Soluble
67 L L -0.6947 Soluble
68 D L -0.7177 Soluble
69 T L -0.4812 Soluble
70 G L -0.4738 Soluble
71 V L -0.3353 Soluble
72 P L -0.3356 Soluble
74 S L -0.4449 Soluble
75 R L -0.7963 Soluble
76 F L 0.0000 Buried
77 S L -0.5108 Soluble
78 G L -0.6616 Soluble
79 S L -0.6568 Soluble
80 G L -0.5351 Soluble
83 S L -1.0249 Soluble
84 G L -1.1889 Soluble
85 T L -0.7655 Soluble
86 Y L 0.2565 Aggregation-prone
87 F L 0.0000 Buried
88 T L -0.1480 Soluble
89 L L 0.0000 Buried
90 T L -0.6002 Soluble
91 I L 0.0000 Buried
92 S L -1.2677 Soluble
93 S L -0.9462 Soluble
94 L L 0.0000 Buried
95 Q L -0.6104 Soluble
96 A L -0.4642 Soluble
97 E L -1.7127 Soluble
98 D L 0.0000 Buried
99 F L -0.0306 Soluble
100 A L 0.0000 Buried
101 V L -0.0185 Soluble
102 Y L 0.0000 Buried
103 F L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 A L -0.7750 Soluble
108 K L -1.1016 Soluble
109 A L 0.2740 Aggregation-prone
114 F L 1.7725 Aggregation-prone
115 P L 0.5746 Aggregation-prone
116 P L 0.0086 Aggregation-prone
117 T L -0.3108 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.0757 Soluble
121 G L -0.6859 Soluble
122 T L 0.0000 Buried
123 K L -0.4147 Soluble
124 V L 0.0000 Buried
125 D L 0.0000 Buried
126 I L -0.0017 Soluble
127 K L -1.1765 Soluble
128 R L -0.8724 Soluble
129 T L 0.1033 Aggregation-prone
130 V L 1.1080 Aggregation-prone
131 A L 0.4352 Aggregation-prone
132 A L 0.0635 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1418 Soluble
135 V L 0.0000 Buried
136 F L 0.0806 Aggregation-prone
137 I L 0.0412 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.7398 Soluble
140 P L -0.8078 Soluble
141 S L -1.6377 Soluble
142 D L -2.9443 Soluble
143 E L -2.9666 Soluble
144 Q L 0.0000 Buried
145 L L -2.3733 Soluble
146 K L -2.8505 Soluble
147 S L -1.8047 Soluble
148 G L -1.3815 Soluble
149 T L -1.0616 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 -0.7337 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1313 Soluble
162 R L -2.3748 Soluble
163 E L -2.1733 Soluble
164 A L -1.7658 Soluble
165 K L -2.1224 Soluble
166 V L -1.2322 Soluble
167 Q L -0.8244 Soluble
168 W L 0.0000 Buried
169 K L -0.8214 Soluble
170 V L 0.0000 Buried
171 D L -1.8304 Soluble
172 N L -1.5183 Soluble
173 A L -0.5311 Soluble
174 L L 0.2152 Aggregation-prone
175 Q L -0.3199 Soluble
176 S L -0.5581 Soluble
177 G L -0.8617 Soluble
178 N L -0.8028 Soluble
179 S L -1.0591 Soluble
180 Q L -1.3939 Soluble
181 E L -1.8781 Soluble
182 S L -1.0366 Soluble
183 V L -0.7984 Soluble
184 T L -1.0632 Soluble
185 E L -2.2171 Soluble
186 Q L -1.6854 Soluble
187 D L -1.7762 Soluble
188 S L -1.5743 Soluble
189 K L -2.1441 Soluble
190 D L -1.4236 Soluble
191 S L -1.5033 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 -0.6363 Soluble
199 L L 0.0000 Buried
200 T L -0.2841 Soluble
201 L L -0.6145 Soluble
202 S L -1.0607 Soluble
203 K L -2.1552 Soluble
204 A L -1.9312 Soluble
205 D L -2.4323 Soluble
206 Y L 0.0000 Buried
207 E L -3.5921 Soluble
208 K L -3.5305 Soluble
209 H L -2.8478 Soluble
210 K L -2.6206 Soluble
211 V L -1.2059 Soluble
212 Y L 0.0000 Buried
213 A L -0.8668 Soluble
214 C L 0.0000 Buried
215 E L -1.0718 Soluble
216 V L 0.0000 Buried
217 T L -1.0540 Soluble
218 H L 0.0000 Buried
219 Q L -1.2907 Soluble
220 G L -0.2392 Soluble
221 L L -0.1647 Soluble
222 S L -0.4880 Soluble
223 S L -0.4263 Soluble
224 P L -0.5239 Soluble
225 V L -0.0240 Soluble
226 T L -0.5907 Soluble
227 K L -0.9169 Soluble
228 S L -0.7494 Soluble
229 F L 0.0000 Buried
230 N L -2.0910 Soluble
231 R L -2.4750 Soluble
232 G L -2.1551 Soluble
233 E L -2.4362 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 -0.6296 4.4518 CSV PDB
4.5 -0.6706 4.4533 CSV PDB
5.0 -0.7183 4.4579 CSV PDB
5.5 -0.7633 4.4711 CSV PDB
6.0 -0.7945 4.5021 CSV PDB
6.5 -0.8042 4.5574 CSV PDB
7.0 -0.793 4.6318 CSV PDB
7.5 -0.768 4.7156 CSV PDB
8.0 -0.7352 4.8029 CSV PDB
8.5 -0.6964 4.891 CSV PDB
9.0 -0.6511 4.9785 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH