Ruplizumab / 6w4w

A4DAB232_6w4w_H_L | Source PDB: 6w4w | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7265
Max Score
2.0692
Min Score
-3.8405
Total Score
-315.3
Score CDR
-0.3921
Score non-CDR
-0.7691

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVVKPGASVKLSCKASGYIFTSYYMYWVKQAPGQGLEWIGEINPSNGDTNFNEKFKSKATLTVDKSASTAYMELSSLRSEDTAVYYCTRSDGRNDMDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKIVLTQSPATLSVSPGERATISCRASQRVSSSTYSYMHWYQQKPGQPPKLLIKYASNLESGVPARFSGSGSGTDFTLTISSVEPEDFATYYCQHSWEIPPTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.8405
Maximum Score 2.0692
Average Score -0.7265
Total Score -315.2975

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

Index Residue Chain A4D Score Classification
1 Q H -1.3110 Soluble
2 V H -0.4861 Soluble
3 Q H -1.2227 Soluble
4 L H 0.0000 Buried
5 V H -0.0126 Soluble
6 Q H 0.0000 Buried
7 S H -0.9121 Soluble
8 G H -1.3819 Soluble
9 A H -1.5833 Soluble
11 E H -2.1168 Soluble
12 V H -1.0480 Soluble
13 V H 0.0000 Buried
14 K H -2.1420 Soluble
15 P H -1.7288 Soluble
16 G H -1.3931 Soluble
17 A H -1.0947 Soluble
18 S H -1.2697 Soluble
19 V H -1.3681 Soluble
20 K H -1.8712 Soluble
21 L H 0.0000 Buried
22 S H -0.6268 Soluble
23 C H 0.0000 Buried
24 K H -1.3067 Soluble
25 A H 0.0000 Buried
26 S H -0.3966 Soluble
27 G H -0.2795 Soluble
28 Y H 0.8117 Aggregation-prone
29 I H 2.0692 Aggregation-prone
30 F H 0.0000 Buried
35 T H 0.0356 Aggregation-prone
36 S H 0.4733 Aggregation-prone
37 Y H 0.2919 Aggregation-prone
38 Y H -0.3963 Soluble
39 M H 0.0000 Buried
40 Y H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 K H -0.4505 Soluble
44 Q H 0.0000 Buried
45 A H -0.9864 Soluble
46 P H -0.8068 Soluble
47 G H -1.1991 Soluble
48 Q H -1.7388 Soluble
49 G H -1.1434 Soluble
50 L H 0.0000 Buried
51 E H -0.9723 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 E H 0.0000 Buried
56 I H 0.0000 Buried
57 N H -1.2401 Soluble
58 P H 0.0000 Buried
59 S H -1.4175 Soluble
62 N H -2.0946 Soluble
63 G H -2.1197 Soluble
64 D H -2.4951 Soluble
65 T H -1.4570 Soluble
66 N H -0.9763 Soluble
67 F H -1.2155 Soluble
68 N H 0.0000 Buried
69 E H -3.2594 Soluble
70 K H -3.1338 Soluble
71 F H 0.0000 Buried
72 K H -2.9404 Soluble
74 S H -1.7566 Soluble
75 K H -1.5607 Soluble
76 A H 0.0000 Buried
77 T H -0.8850 Soluble
78 L H 0.0000 Buried
79 T H -0.6260 Soluble
80 V H -0.9607 Soluble
81 D H -1.6715 Soluble
82 K H -2.1715 Soluble
83 S H -1.2323 Soluble
84 A H -1.1001 Soluble
85 S H -0.9349 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6660 Soluble
89 M H 0.0000 Buried
90 E H -1.5071 Soluble
91 L H 0.0000 Buried
92 S H -1.0391 Soluble
93 S H -1.2060 Soluble
94 L H 0.0000 Buried
95 R H -2.7363 Soluble
96 S H -2.0873 Soluble
97 E H -2.4124 Soluble
98 D H 0.0000 Buried
99 T H -0.8315 Soluble
100 A H 0.0000 Buried
101 V H 0.1469 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 T H 0.0000 Buried
106 R H 0.0000 Buried
107 S H 0.0000 Buried
108 D H -1.1289 Soluble
109 G H -1.1071 Soluble
110 R H -1.1590 Soluble
113 N H -0.9667 Soluble
114 D H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.8844 Soluble
117 S H -0.6770 Soluble
118 W H -0.6005 Soluble
119 G H 0.0000 Buried
120 Q H -1.2923 Soluble
121 G H -0.5830 Soluble
122 T H 0.0000 Buried
123 L H -0.4107 Soluble
124 V H 0.0000 Buried
125 T H -1.0010 Soluble
126 V H -1.4033 Soluble
127 S H -0.9514 Soluble
128 S H -0.8028 Soluble
129 A H -0.4685 Soluble
130 S H -0.6117 Soluble
131 T H -0.9396 Soluble
132 K H -1.1093 Soluble
133 G H -1.3331 Soluble
134 P H -0.6472 Soluble
135 S H -0.3090 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2882 Soluble
139 L H 0.0000 Buried
140 A H -1.3481 Soluble
141 P H 0.0000 Buried
142 S H -1.1475 Soluble
143 S H -0.8744 Soluble
144 K H -1.0969 Soluble
145 S H 0.0000 Buried
146 T H -0.6524 Soluble
147 S H -0.6471 Soluble
148 G H -0.7818 Soluble
149 G H -0.8619 Soluble
150 T H -0.5888 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H -0.2907 Soluble
159 D H -0.3966 Soluble
160 Y H 0.0000 Buried
161 F H -0.4265 Soluble
162 P H 0.0000 Buried
163 E H -1.0686 Soluble
164 P H -1.0814 Soluble
165 V H 0.0000 Buried
166 T H -0.7594 Soluble
167 V H -0.3911 Soluble
168 S H -0.3978 Soluble
169 W H 0.0000 Buried
170 N H -0.8012 Soluble
171 S H -0.6630 Soluble
172 G H -0.5759 Soluble
173 A H -0.2985 Soluble
174 L H -0.0781 Soluble
175 T H -0.2275 Soluble
176 S H -0.4644 Soluble
177 G H -0.6088 Soluble
178 V H 0.0753 Aggregation-prone
179 H H 0.0000 Buried
180 T H 0.0171 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3523 Soluble
183 A H 0.1597 Aggregation-prone
184 V H 0.5688 Aggregation-prone
185 L H 1.4907 Aggregation-prone
186 Q H 0.3772 Aggregation-prone
187 S H -0.1324 Soluble
188 S H -0.1687 Soluble
189 G H 0.1445 Aggregation-prone
190 L H 0.2231 Aggregation-prone
191 Y H 0.4486 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1546 Soluble
199 V H 0.0000 Buried
200 P H -0.6449 Soluble
201 S H -0.5688 Soluble
202 S H -0.5987 Soluble
203 S H 0.0000 Buried
204 L H -0.8342 Soluble
205 G H -1.0154 Soluble
206 T H -0.8475 Soluble
207 Q H -1.5533 Soluble
208 T H -1.2171 Soluble
209 Y H 0.0000 Buried
210 I H -1.0357 Soluble
211 C H 0.0000 Buried
212 N H -1.2960 Soluble
213 V H 0.0000 Buried
214 N H -1.9662 Soluble
215 H H 0.0000 Buried
216 K H -3.1972 Soluble
217 P H -2.2350 Soluble
218 S H -2.0750 Soluble
219 N H -2.7882 Soluble
220 T H -2.1288 Soluble
221 K H -2.6131 Soluble
222 V H -1.3299 Soluble
223 D H -1.9546 Soluble
224 K H -1.9138 Soluble
225 K H -2.2840 Soluble
226 V H 0.0000 Buried
227 E H -2.8781 Soluble
228 P H -2.0863 Soluble
229 K H -2.4745 Soluble
2 I L 0.8410 Aggregation-prone
3 V L 1.5541 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.4843 Soluble
6 Q L -0.5168 Soluble
7 S L -0.5529 Soluble
8 P L -0.3116 Soluble
9 A L -0.3086 Soluble
10 T L -0.4409 Soluble
11 L L -0.2684 Soluble
12 S L -0.8858 Soluble
13 V L 0.0000 Buried
14 S L -1.9471 Soluble
15 P L -1.9287 Soluble
16 G L -1.8015 Soluble
17 E L -2.6166 Soluble
18 R L -2.8301 Soluble
19 A L 0.0000 Buried
20 T L -0.5403 Soluble
21 I L 0.0000 Buried
22 S L -0.9009 Soluble
23 C L 0.0000 Buried
24 R L -2.3747 Soluble
25 A L 0.0000 Buried
26 S L -0.8612 Soluble
27 Q L -1.9160 Soluble
28 R L -2.7032 Soluble
29 V L 0.0000 Buried
30 S L 0.0000 Buried
31 S L -0.0639 Soluble
34 S L -0.0136 Soluble
35 T L 0.3474 Aggregation-prone
36 Y L 1.0866 Aggregation-prone
37 S L 0.0000 Buried
38 Y L 0.0732 Aggregation-prone
39 M L 0.0000 Buried
40 H 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 -1.1377 Soluble
45 K L -1.6098 Soluble
46 P L -1.2811 Soluble
47 G L -1.3881 Soluble
48 Q L -2.0308 Soluble
49 P L -1.4215 Soluble
50 P L 0.0000 Buried
51 K L -1.5503 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -0.5324 Soluble
56 Y L 0.1509 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.4116 Soluble
66 N L -0.5474 Soluble
67 L L -0.0302 Soluble
68 E L -0.6350 Soluble
69 S L -0.4600 Soluble
70 G L -0.4755 Soluble
71 V L -0.2393 Soluble
72 P L -0.1680 Soluble
74 A L -0.0938 Soluble
75 R L -0.7316 Soluble
76 F L 0.0000 Buried
77 S L -0.3209 Soluble
78 G L -0.4076 Soluble
79 S L -0.7771 Soluble
80 G L -1.1375 Soluble
83 S L -1.0312 Soluble
84 G L -1.7525 Soluble
85 T L -2.4870 Soluble
86 D L -2.9504 Soluble
87 F L 0.0000 Buried
88 T L -0.8726 Soluble
89 L L 0.0000 Buried
90 T L -0.6369 Soluble
91 I L 0.0000 Buried
92 S L -1.5123 Soluble
93 S L -1.7972 Soluble
94 V L 0.0000 Buried
95 E L -2.7439 Soluble
96 P L -2.6180 Soluble
97 E L -2.7727 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.6109 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 H L 0.0000 Buried
107 S L -0.2836 Soluble
108 W L -0.7164 Soluble
109 E L -1.2204 Soluble
114 I L 0.0098 Aggregation-prone
115 P L -0.1634 Soluble
116 P L 0.0000 Buried
117 T L 0.3526 Aggregation-prone
118 F L 0.2507 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.6748 Soluble
121 G L -0.6942 Soluble
122 T L 0.0000 Buried
123 K L -1.0047 Soluble
124 L L 0.0000 Buried
125 E L -1.4883 Soluble
126 I L 0.0000 Buried
127 K L -1.9390 Soluble
128 R L -1.0764 Soluble
129 T L 0.0890 Aggregation-prone
130 V L 0.8777 Aggregation-prone
131 A L 0.3172 Aggregation-prone
132 A L 0.0335 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.2507 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6749 Soluble
140 P L 0.0000 Buried
141 S L -1.8194 Soluble
142 D L -3.0591 Soluble
143 E L -2.8569 Soluble
144 Q L 0.0000 Buried
145 L L -2.2270 Soluble
146 K L -2.7598 Soluble
147 S L -1.6967 Soluble
148 G L -1.1487 Soluble
149 T L -0.9577 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 -0.6755 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.3639 Soluble
162 R L -2.3967 Soluble
163 E L -2.8994 Soluble
164 A L -2.0597 Soluble
165 K L -2.1121 Soluble
166 V L 0.0000 Buried
167 Q L -0.7783 Soluble
168 W L 0.0000 Buried
169 K L -0.7133 Soluble
170 V L 0.0000 Buried
171 D L -2.1440 Soluble
172 N L -1.6162 Soluble
173 A L -0.3715 Soluble
174 L L 0.4739 Aggregation-prone
175 Q L -0.5765 Soluble
176 S L -0.7554 Soluble
177 G L -1.3719 Soluble
178 N L -1.7746 Soluble
179 S L -1.6575 Soluble
180 Q L -1.5803 Soluble
181 E L -2.0199 Soluble
182 S L -0.8913 Soluble
183 V L -0.7034 Soluble
184 T L -0.9223 Soluble
185 E L -1.8708 Soluble
186 Q L 0.0000 Buried
187 D L -1.7863 Soluble
188 S L -2.3158 Soluble
189 K L -2.7983 Soluble
190 D L -1.9645 Soluble
191 S L 0.0000 Buried
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 -0.8503 Soluble
199 L L 0.0000 Buried
200 T L -0.7018 Soluble
201 L L -0.8768 Soluble
202 S L -1.0855 Soluble
203 K L -2.0383 Soluble
204 A L -2.0377 Soluble
205 D L -2.8055 Soluble
206 Y L 0.0000 Buried
207 E L -3.8122 Soluble
208 K L -3.8405 Soluble
209 H L -3.3265 Soluble
210 K L -3.5165 Soluble
211 V L -1.9177 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8135 Soluble
216 V L 0.0000 Buried
217 T L -1.1767 Soluble
218 H L 0.0000 Buried
219 Q L -1.5998 Soluble
220 G L -0.2964 Soluble
221 L L -0.1329 Soluble
222 S L -0.4414 Soluble
223 S L -0.4275 Soluble
224 P L -0.5748 Soluble
225 V L -0.1199 Soluble
226 T L -0.5546 Soluble
227 K L -0.8878 Soluble
228 S L -0.9255 Soluble
229 F L 0.0000 Buried
230 N L -2.3172 Soluble
231 R L -2.6054 Soluble
232 G L -1.6075 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
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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 -0.772 2.6563 CSV PDB
4.5 -0.8168 2.6563 CSV PDB
5.0 -0.8707 2.6563 CSV PDB
5.5 -0.9219 2.6563 CSV PDB
6.0 -0.9567 2.6563 CSV PDB
6.5 -0.9638 2.6563 CSV PDB
7.0 -0.9429 2.6563 CSV PDB
7.5 -0.9028 2.6563 CSV PDB
8.0 -0.8527 2.6563 CSV PDB
8.5 -0.7964 2.6562 CSV PDB
9.0 -0.7348 2.6561 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH