Ramucirumab / 3s36

A4DAB217_3s36_H_L | Source PDB: 3s36 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6234
Max Score
2.1251
Min Score
-3.3983
Total Score
-266.83
Score CDR
-0.2834
Score non-CDR
-0.6614

Calculation Parameters

Chain Sequence(s) VQLVQSGGGLVKPGGSLRLSCAASGFTFSSYSMNWVRQAPGKGLEWVSSISSSSSYIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARVTDAFDIWGQGTMVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCAADIQMTQSPSSVSASIGDRVTITCRASQGIDNWLGWYQQKPGKAPKLLIYDASNLDTGVPSRFSGSGSGTYFTLTISSLQAEDFAVYFCQQAKAFPPTFGGGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.3983
Maximum Score 2.1251
Average Score -0.6234
Total Score -266.8342

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

Index Residue Chain A4D Score Classification
2 V H 1.1032 Aggregation-prone
3 Q H -0.1660 Soluble
4 L H 0.0000 Buried
5 V H 0.4877 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.5548 Soluble
8 G H -0.8503 Soluble
9 G H -0.3104 Soluble
11 G H 0.5905 Aggregation-prone
12 L H 1.0480 Aggregation-prone
13 V H -0.2949 Soluble
14 K H -1.8536 Soluble
15 P H -1.9082 Soluble
16 G H -1.5145 Soluble
17 G H -1.1130 Soluble
18 S H -1.2442 Soluble
19 L H -0.9718 Soluble
20 R H -2.1742 Soluble
21 L H 0.0000 Buried
22 S H -0.5144 Soluble
23 C H 0.0000 Buried
24 A H -0.2994 Soluble
25 A H 0.0000 Buried
26 S H -0.0482 Soluble
27 G H 0.0622 Aggregation-prone
28 F H 0.2911 Aggregation-prone
29 T H 0.0228 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.5160 Soluble
36 S H -0.1901 Soluble
37 Y H 0.2288 Aggregation-prone
38 S H 0.0569 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 -0.7949 Soluble
45 A H -1.1383 Soluble
46 P H -0.8955 Soluble
47 G H -1.4798 Soluble
48 K H -2.3354 Soluble
49 G H -1.5059 Soluble
50 L H 0.0000 Buried
51 E H -1.0185 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 S H 0.8986 Aggregation-prone
56 I H 0.0000 Buried
57 S H 0.5335 Aggregation-prone
58 S H -0.2199 Soluble
59 S H -0.3729 Soluble
62 S H 0.0074 Aggregation-prone
63 S H 0.4703 Aggregation-prone
64 Y H 1.8245 Aggregation-prone
65 I H 2.1251 Aggregation-prone
66 Y H 1.8477 Aggregation-prone
67 Y H 0.0641 Aggregation-prone
68 A H 0.0000 Buried
69 D H -2.2860 Soluble
70 S H -1.5269 Soluble
71 V H 0.0000 Buried
72 K H -2.4166 Soluble
74 G H -1.7264 Soluble
75 R H -1.2580 Soluble
76 F H 0.0000 Buried
77 T H -0.7391 Soluble
78 I H 0.0000 Buried
79 S H -0.3197 Soluble
80 R H -0.9445 Soluble
81 D H -1.4523 Soluble
82 N H -1.5740 Soluble
83 A H -1.3105 Soluble
84 K H -2.2283 Soluble
85 N H -1.6678 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.5469 Soluble
89 L H 0.0000 Buried
90 Q H -1.3530 Soluble
91 M H 0.0000 Buried
92 N H -1.4788 Soluble
93 S H -1.2849 Soluble
94 L H 0.0000 Buried
95 R H -2.2680 Soluble
96 A H -1.7363 Soluble
97 E H -2.1871 Soluble
98 D H 0.0000 Buried
99 T H 0.0000 Buried
100 A H 0.0000 Buried
101 V H 0.3851 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 -0.1069 Soluble
107 V H -0.2671 Soluble
108 T H -0.8231 Soluble
109 D H -1.7458 Soluble
114 A H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.5951 Soluble
117 I H -0.1465 Soluble
118 W H -0.4216 Soluble
119 G H 0.0000 Buried
120 Q H -1.4354 Soluble
121 G H -0.6843 Soluble
122 T H -0.0266 Soluble
123 M H 0.6993 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.0544 Soluble
126 V H 0.0000 Buried
127 S H -0.9211 Soluble
128 S H -0.9189 Soluble
129 A H -0.6528 Soluble
130 S H -0.7124 Soluble
131 T H -0.8586 Soluble
132 K H -1.1906 Soluble
133 G H -1.2746 Soluble
134 P H -0.5355 Soluble
135 S H -0.4320 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2253 Soluble
139 L H 0.0000 Buried
140 A H -1.1164 Soluble
141 P H 0.0000 Buried
142 S H -0.4878 Soluble
143 G H -0.5983 Soluble
144 T H -0.4814 Soluble
145 A H -0.2728 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 -0.3910 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H -0.7885 Soluble
157 E H -1.2830 Soluble
158 P H -1.0942 Soluble
159 V H -0.6033 Soluble
160 T H -0.5738 Soluble
161 V H -0.1571 Soluble
162 S H -0.4169 Soluble
163 W H 0.0000 Buried
164 N H -0.8122 Soluble
165 S H -0.7116 Soluble
166 G H -0.6059 Soluble
167 A H -0.2488 Soluble
168 L H -0.0653 Soluble
169 T H -0.2061 Soluble
170 S H -0.2022 Soluble
171 G H -0.2160 Soluble
172 V H 0.1766 Aggregation-prone
173 H H -0.1316 Soluble
174 T H 0.0438 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.2693 Soluble
177 A H 0.1606 Aggregation-prone
178 V H 0.2044 Aggregation-prone
179 L H 0.6097 Aggregation-prone
180 Q H -0.0006 Soluble
181 S H -0.2182 Soluble
182 S H -0.2658 Soluble
183 G H -0.0904 Soluble
184 L H -0.1058 Soluble
185 Y H 0.0722 Aggregation-prone
186 S H 0.0838 Aggregation-prone
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 -0.1460 Soluble
193 V H 0.0000 Buried
194 P H -0.4685 Soluble
195 S H -0.6154 Soluble
196 S H -0.6055 Soluble
197 S H -0.6426 Soluble
198 L H -0.8243 Soluble
199 G H -0.9875 Soluble
200 T H -0.7520 Soluble
201 Q H -1.1159 Soluble
202 T H -1.2152 Soluble
203 Y H 0.0000 Buried
204 I H -1.3429 Soluble
205 C H 0.0000 Buried
206 N H -1.5098 Soluble
207 V H 0.0000 Buried
208 N H -1.8293 Soluble
209 H H 0.0000 Buried
210 K H -2.7969 Soluble
211 P H -1.7683 Soluble
212 S H -1.8565 Soluble
213 N H -2.5889 Soluble
214 T H -2.0327 Soluble
215 K H -2.6297 Soluble
216 V H -1.6186 Soluble
217 D H -2.6095 Soluble
218 K H -2.1637 Soluble
219 R H -2.7909 Soluble
220 V H 0.0000 Buried
221 E H -2.7110 Soluble
222 P H -1.9131 Soluble
223 K H -1.7211 Soluble
224 S H -0.7627 Soluble
225 C H -0.4749 Soluble
226 A H -1.0939 Soluble
227 A H -0.7964 Soluble
1 D L -2.0193 Soluble
2 I L 0.0000 Buried
3 Q L -2.1659 Soluble
4 M L 0.0000 Buried
5 T L -1.2222 Soluble
6 Q L -0.9440 Soluble
7 S L -0.7529 Soluble
8 P L -0.4760 Soluble
9 S L -0.6656 Soluble
10 S L -0.5804 Soluble
11 V L -0.0737 Soluble
12 S L -0.6261 Soluble
13 A L 0.0000 Buried
14 S L -0.1021 Soluble
15 I L 0.8209 Aggregation-prone
16 G L -0.5735 Soluble
17 D L -1.5575 Soluble
18 R L -2.2278 Soluble
19 V L 0.0000 Buried
20 T L -0.6035 Soluble
21 I L 0.0000 Buried
22 T L -0.4923 Soluble
23 C L 0.0000 Buried
24 R L -2.0916 Soluble
25 A L -1.6431 Soluble
26 S L -1.7451 Soluble
27 Q L -2.2411 Soluble
28 G L -1.7823 Soluble
29 I L 0.0000 Buried
36 D L -2.3196 Soluble
37 N L -1.2534 Soluble
38 W L -0.6592 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 -1.1683 Soluble
45 K L -1.5794 Soluble
46 P L -1.3994 Soluble
47 G L -1.7111 Soluble
48 K L -2.6071 Soluble
49 A L -1.6593 Soluble
50 P L 0.0000 Buried
51 K L -1.5901 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.7238 Soluble
56 D L -1.0732 Soluble
57 A L 0.0000 Buried
65 S L -0.8776 Soluble
66 N L -1.2559 Soluble
67 L L -0.4892 Soluble
68 D L -0.7423 Soluble
69 T L -0.5004 Soluble
70 G L -0.4711 Soluble
71 V L -0.3178 Soluble
72 P L -0.3254 Soluble
74 S L -0.4203 Soluble
75 R L -0.8214 Soluble
76 F L 0.0000 Buried
77 S L -0.5187 Soluble
78 G L -0.5322 Soluble
79 S L -0.5855 Soluble
80 G L -0.5286 Soluble
83 S L -0.9925 Soluble
84 G L -1.3093 Soluble
85 T L -1.2322 Soluble
86 Y L -0.5219 Soluble
87 F L 0.0000 Buried
88 T L -0.3659 Soluble
89 L L 0.0000 Buried
90 T L -0.6109 Soluble
91 I L 0.0000 Buried
92 S L -1.2905 Soluble
93 S L -1.1476 Soluble
94 L L 0.0000 Buried
95 Q L -0.9129 Soluble
96 A L -0.5605 Soluble
97 E L -1.5197 Soluble
98 D L 0.0000 Buried
99 F L -0.0671 Soluble
100 A L 0.0000 Buried
101 V L -0.1185 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 -0.5685 Soluble
108 K L -1.5335 Soluble
109 A L -0.3803 Soluble
114 F L 0.8155 Aggregation-prone
115 P L 0.0508 Aggregation-prone
116 P L -0.3447 Soluble
117 T L -0.6603 Soluble
118 F L -0.3662 Soluble
119 G L 0.0000 Buried
120 G L -1.0959 Soluble
121 G L -0.7434 Soluble
122 T L 0.0000 Buried
123 K L -0.3332 Soluble
124 V L 0.0000 Buried
125 D L 0.0000 Buried
126 I L 0.0936 Aggregation-prone
127 K L -0.8251 Soluble
128 R L -0.8865 Soluble
129 T L 0.1588 Aggregation-prone
130 V L 1.1424 Aggregation-prone
131 A L 0.4787 Aggregation-prone
132 A L 0.1314 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1588 Soluble
135 V L 0.0000 Buried
136 F L 0.0539 Aggregation-prone
137 I L 0.0419 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4026 Soluble
140 P L 0.0000 Buried
141 S L -1.6820 Soluble
142 D L -3.0964 Soluble
143 E L -3.1907 Soluble
144 Q L 0.0000 Buried
145 L L -2.3504 Soluble
146 K L -2.8802 Soluble
147 S L -1.7861 Soluble
148 G L -1.2746 Soluble
149 T L -0.9266 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 -0.7465 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -0.9653 Soluble
162 R L -1.8694 Soluble
163 E L -2.2043 Soluble
164 A L -1.7884 Soluble
165 K L -2.0618 Soluble
166 V L -0.9817 Soluble
167 Q L -0.4381 Soluble
168 W L 0.0000 Buried
169 K L -0.5475 Soluble
170 V L 0.0000 Buried
171 D L -1.4853 Soluble
172 N L -1.3254 Soluble
173 A L -0.2287 Soluble
174 L L 0.8207 Aggregation-prone
175 Q L -0.0001 Buried
176 S L -0.4594 Soluble
177 G L -0.9331 Soluble
178 N L -0.8679 Soluble
179 S L -1.0826 Soluble
180 Q L -1.4902 Soluble
181 E L -1.5145 Soluble
182 S L -0.5821 Soluble
183 V L -0.4594 Soluble
184 T L -0.9628 Soluble
185 E L -2.1841 Soluble
186 Q L -1.9474 Soluble
187 D L -2.3803 Soluble
188 S L -1.8693 Soluble
189 K L -2.3434 Soluble
190 D L -1.7300 Soluble
191 S L -1.6848 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 -0.6366 Soluble
199 L L 0.0000 Buried
200 T L -0.4697 Soluble
201 L L -0.7223 Soluble
202 S L -1.1321 Soluble
203 K L -2.1455 Soluble
204 A L -1.9354 Soluble
205 D L -2.6313 Soluble
206 Y L 0.0000 Buried
207 E L -3.3862 Soluble
208 K L -3.3983 Soluble
209 H L -2.5394 Soluble
210 K L -2.3429 Soluble
211 V L -0.9392 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8673 Soluble
216 V L 0.0000 Buried
217 T L -1.0148 Soluble
218 H L 0.0000 Buried
219 Q L -1.1601 Soluble
220 G L -0.0897 Soluble
221 L L -0.0322 Soluble
222 S L -0.3810 Soluble
223 S L -0.3710 Soluble
224 P L -0.4427 Soluble
225 V L 0.1163 Aggregation-prone
226 T L -0.4736 Soluble
227 K L -0.8796 Soluble
228 S L -0.5406 Soluble
229 F L 0.0000 Buried
230 N L -1.2817 Soluble
231 R L -1.9826 Soluble
232 G L -1.6242 Soluble
233 E L -1.5673 Soluble
234 C L -0.2673 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 -0.6172 2.7767 CSV PDB
4.5 -0.658 2.7203 CSV PDB
5.0 -0.7049 2.6608 CSV PDB
5.5 -0.7486 2.614 CSV PDB
6.0 -0.7784 2.5941 CSV PDB
6.5 -0.7871 2.6019 CSV PDB
7.0 -0.7756 2.6265 CSV PDB
7.5 -0.7505 2.6588 CSV PDB
8.0 -0.7172 2.6959 CSV PDB
8.5 -0.6775 2.7404 CSV PDB
9.0 -0.6308 2.7981 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH