Rontalizumab / 4z5r

A4DAB228_4z5r_S_R | Source PDB: 4z5r | Chains: S, R | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6925
Max Score
1.4573
Min Score
-3.5961
Total Score
-297.79
Score CDR
-0.1025
Score non-CDR
-0.7667

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCATSGYTFTEYIIHWVRQAPGKGLEWVASINPDYDITNYNQRFKGRFTISLDKSKRTAYLQMNSLRAEDTAVYYCASWISDFFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKVLISYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWGIPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) S (Heavy), R (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 -3.5961
Maximum Score 1.4573
Average Score -0.6925
Total Score -297.7919

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

Index Residue Chain A4D Score Classification
1 E S -2.1631 Soluble
2 V S -1.3964 Soluble
3 Q S -1.4033 Soluble
4 L S 0.0000 Buried
5 V S 0.5208 Aggregation-prone
6 E S 0.0000 Buried
7 S S -0.4694 Soluble
8 G S -0.8876 Soluble
9 G S -0.4498 Soluble
11 G S -0.2967 Soluble
12 L S -0.0580 Soluble
13 V S -0.6375 Soluble
14 Q S -1.6331 Soluble
15 P S -1.7602 Soluble
16 G S -1.4551 Soluble
17 G S -1.1046 Soluble
18 S S -1.3363 Soluble
19 L S -1.1503 Soluble
20 R S -2.2570 Soluble
21 L S 0.0000 Buried
22 S S -0.4732 Soluble
23 C S 0.0000 Buried
24 A S -0.2809 Soluble
25 T S 0.0000 Buried
26 S S -0.8725 Soluble
27 G S -1.3549 Soluble
28 Y S -0.9252 Soluble
29 T S -0.6761 Soluble
30 F S 0.0000 Buried
35 T S -1.4611 Soluble
36 E S -1.6987 Soluble
37 Y S -0.2934 Soluble
38 I S 0.4419 Aggregation-prone
39 I S 0.0000 Buried
40 H S 0.0000 Buried
41 W S 0.0000 Buried
42 V S 0.0000 Buried
43 R S 0.0000 Buried
44 Q S -0.6933 Soluble
45 A S -1.1524 Soluble
46 P S -0.9704 Soluble
47 G S -1.4651 Soluble
48 K S -2.3077 Soluble
49 G S -1.5304 Soluble
50 L S 0.0000 Buried
51 E S -0.7220 Soluble
52 W S 0.0000 Buried
53 V S 0.0000 Buried
54 A S 0.0000 Buried
55 S S 0.0000 Buried
56 I S 0.0000 Buried
57 N S -0.3269 Soluble
58 P S 0.0000 Buried
59 D S -1.9386 Soluble
62 Y S 0.0005 Aggregation-prone
63 D S -0.8459 Soluble
64 I S 0.7711 Aggregation-prone
65 T S 0.3786 Aggregation-prone
66 N S -0.0277 Soluble
67 Y S -0.9887 Soluble
68 N S -1.4954 Soluble
69 Q S -2.6460 Soluble
70 R S -3.0397 Soluble
71 F S 0.0000 Buried
72 K S -2.9718 Soluble
74 G S -1.9792 Soluble
75 R S -1.5570 Soluble
76 F S 0.0000 Buried
77 T S -1.0197 Soluble
78 I S 0.0000 Buried
79 S S -0.4115 Soluble
80 L S -0.9982 Soluble
81 D S -1.9165 Soluble
82 K S -2.7181 Soluble
83 S S -2.0459 Soluble
84 K S -2.6586 Soluble
85 R S -2.0637 Soluble
86 T S 0.0000 Buried
87 A S 0.0000 Buried
88 Y S -0.6069 Soluble
89 L S 0.0000 Buried
90 Q S -1.6168 Soluble
91 M S 0.0000 Buried
92 N S -1.4316 Soluble
93 S S -1.2539 Soluble
94 L S 0.0000 Buried
95 R S -2.3968 Soluble
96 A S -1.8014 Soluble
97 E S -2.2530 Soluble
98 D S 0.0000 Buried
99 T S -0.7255 Soluble
100 A S 0.0000 Buried
101 V S 0.1290 Aggregation-prone
102 Y S 0.0000 Buried
103 Y S 0.0000 Buried
104 C S 0.0000 Buried
105 A S 0.0000 Buried
106 S S 0.0000 Buried
107 W S 0.0000 Buried
108 I S 1.4573 Aggregation-prone
109 S S 0.7041 Aggregation-prone
113 D S 0.1979 Aggregation-prone
114 F S 0.4005 Aggregation-prone
115 F S 0.0000 Buried
116 D S -0.2313 Soluble
117 Y S 0.0819 Aggregation-prone
118 W S -0.4655 Soluble
119 G S 0.0000 Buried
120 Q S -1.4880 Soluble
121 G S -0.6861 Soluble
122 T S -0.1261 Soluble
123 L S 0.0037 Aggregation-prone
124 V S 0.0000 Buried
125 T S -0.4483 Soluble
126 V S 0.0000 Buried
127 S S -0.7810 Soluble
128 S S -0.7207 Soluble
129 A S -0.5081 Soluble
130 S S -0.6657 Soluble
131 T S -0.8104 Soluble
132 K S -1.6760 Soluble
133 G S -1.6086 Soluble
134 P S -0.7034 Soluble
135 S S -0.3148 Soluble
136 V S 0.0000 Buried
137 F S 0.0000 Buried
138 P S -1.1657 Soluble
139 L S 0.0000 Buried
140 A S -0.8730 Soluble
141 P S -0.5223 Soluble
142 S S -0.4112 Soluble
143 S S -0.6300 Soluble
144 G S -0.9095 Soluble
145 G S -0.8670 Soluble
146 T S -0.5840 Soluble
147 A S 0.0000 Buried
148 A S 0.0000 Buried
149 L S 0.0000 Buried
150 G S 0.0000 Buried
151 C S 0.0000 Buried
152 L S 0.0000 Buried
153 V S 0.0000 Buried
154 K S 0.0000 Buried
155 D S -0.4504 Soluble
156 Y S 0.0000 Buried
157 F S 0.0000 Buried
158 P S 0.0000 Buried
159 E S -0.4584 Soluble
160 P S -0.7077 Soluble
161 V S -0.5298 Soluble
162 T S -0.6491 Soluble
163 V S -0.3353 Soluble
164 S S -0.4494 Soluble
165 W S 0.0000 Buried
166 N S -0.7721 Soluble
167 S S -0.6081 Soluble
168 G S -0.3673 Soluble
169 A S -0.1540 Soluble
170 L S 0.0334 Aggregation-prone
171 T S -0.1671 Soluble
172 S S -0.2501 Soluble
173 G S -0.3295 Soluble
174 V S 0.0927 Aggregation-prone
175 H S -0.4148 Soluble
176 T S 0.0186 Aggregation-prone
177 F S 0.0000 Buried
178 P S -0.3067 Soluble
179 A S 0.2783 Aggregation-prone
180 V S 0.6772 Aggregation-prone
181 L S 1.3114 Aggregation-prone
182 Q S 0.0000 Buried
183 S S -0.0683 Soluble
184 S S -0.1658 Soluble
185 G S 0.0719 Aggregation-prone
186 L S 0.1904 Aggregation-prone
187 Y S 0.6445 Aggregation-prone
188 S S 0.0000 Buried
189 L S 0.0000 Buried
190 S S 0.0000 Buried
191 S S 0.0000 Buried
192 V S 0.0000 Buried
193 V S 0.0000 Buried
194 T S -0.1344 Soluble
195 V S 0.0000 Buried
196 P S -0.4631 Soluble
197 S S -0.6199 Soluble
198 S S -0.6211 Soluble
199 S S -0.5779 Soluble
200 L S -0.7082 Soluble
201 G S -1.0791 Soluble
202 T S -0.8261 Soluble
203 Q S -1.3406 Soluble
204 T S -1.2275 Soluble
205 Y S 0.0000 Buried
206 I S -1.2875 Soluble
207 C S 0.0000 Buried
208 N S -1.6461 Soluble
209 V S 0.0000 Buried
210 N S -2.0928 Soluble
211 H S 0.0000 Buried
212 K S -2.7889 Soluble
213 P S -1.6954 Soluble
214 S S -1.9671 Soluble
215 N S -2.6955 Soluble
216 T S -2.1454 Soluble
217 K S -2.7848 Soluble
218 V S -1.8814 Soluble
219 D S -2.6841 Soluble
220 K S -2.1813 Soluble
221 K S -2.6605 Soluble
222 V S 0.0000 Buried
223 E S -2.4040 Soluble
224 P S -1.2140 Soluble
1 D R -1.9979 Soluble
2 I R 0.0000 Buried
3 Q R -2.1997 Soluble
4 M R 0.0000 Buried
5 T R -1.2716 Soluble
6 Q R 0.0000 Buried
7 S R -0.7493 Soluble
8 P R -0.5121 Soluble
9 S R -0.8730 Soluble
10 S R -0.9076 Soluble
11 L R -0.6977 Soluble
12 S R -1.0796 Soluble
13 A R -1.1405 Soluble
14 S R -1.0744 Soluble
15 V R -0.2829 Soluble
16 G R -0.9195 Soluble
17 D R -2.0508 Soluble
18 R R -2.4157 Soluble
19 V R 0.0000 Buried
20 T R -0.6313 Soluble
21 I R 0.0000 Buried
22 T R -0.7935 Soluble
23 C R 0.0000 Buried
24 R R -2.2799 Soluble
25 A R 0.0000 Buried
26 S R -1.8092 Soluble
27 Q R -1.8443 Soluble
28 S R -0.9397 Soluble
29 V R 0.0000 Buried
30 S R 0.1534 Aggregation-prone
31 T R 0.2500 Aggregation-prone
34 S R -0.0296 Soluble
35 S R 0.2741 Aggregation-prone
36 Y R 1.2217 Aggregation-prone
37 S R 0.0000 Buried
38 Y R 0.7002 Aggregation-prone
39 M R 0.0000 Buried
40 H R 0.0000 Buried
41 W R 0.0000 Buried
42 Y R 0.0000 Buried
43 Q R 0.0000 Buried
44 Q R 0.0000 Buried
45 K R -1.7004 Soluble
46 P R -1.4197 Soluble
47 G R -1.7091 Soluble
48 K R -2.3699 Soluble
49 A R -1.4315 Soluble
50 P R 0.0000 Buried
51 K R -1.3496 Soluble
52 V R -0.4274 Soluble
53 L R 0.0000 Buried
54 I R 0.0000 Buried
55 S R 0.0000 Buried
56 Y R 0.3990 Aggregation-prone
57 A R 0.0000 Buried
65 S R -0.4778 Soluble
66 N R -0.8548 Soluble
67 L R -0.2655 Soluble
68 E R -0.5398 Soluble
69 S R -0.5155 Soluble
70 G R -0.5284 Soluble
71 V R -0.3271 Soluble
72 P R -0.3465 Soluble
74 S R -0.4242 Soluble
75 R R -0.7283 Soluble
76 F R 0.0000 Buried
77 S R -0.4865 Soluble
78 G R -0.4207 Soluble
79 S R -0.7732 Soluble
80 G R -1.0273 Soluble
83 S R -0.6544 Soluble
84 G R -0.8926 Soluble
85 T R -1.6500 Soluble
86 D R -2.3600 Soluble
87 F R 0.0000 Buried
88 T R -0.7680 Soluble
89 L R 0.0000 Buried
90 T R -0.6055 Soluble
91 I R 0.0000 Buried
92 S R -1.4164 Soluble
93 S R -1.2036 Soluble
94 L R 0.0000 Buried
95 Q R -0.8746 Soluble
96 P R -1.8881 Soluble
97 E R -2.0387 Soluble
98 D R 0.0000 Buried
99 F R 0.0000 Buried
100 A R 0.0000 Buried
101 T R -0.9032 Soluble
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 Q R 0.0000 Buried
106 H R 0.0000 Buried
107 S R 0.3596 Aggregation-prone
108 W R 0.3319 Aggregation-prone
109 G R 0.2891 Aggregation-prone
114 I R 0.8009 Aggregation-prone
115 P R -0.2674 Soluble
116 R R -0.2000 Soluble
117 T R -0.6244 Soluble
118 F R 0.0000 Buried
119 G R 0.0000 Buried
120 Q R -1.7061 Soluble
121 G R 0.0000 Buried
122 T R 0.0000 Buried
123 K R -1.6965 Soluble
124 V R 0.0000 Buried
125 E R -1.6356 Soluble
126 I R 0.0000 Buried
127 K R -1.3512 Soluble
128 R R -0.8435 Soluble
129 T R 0.2706 Aggregation-prone
130 V R 1.2286 Aggregation-prone
131 A R 0.3689 Aggregation-prone
132 A R -0.0646 Soluble
133 P R 0.0000 Buried
134 S R -0.3088 Soluble
135 V R 0.0000 Buried
136 F R -0.0480 Soluble
137 I R 0.0000 Buried
138 F R 0.0000 Buried
139 P R -0.8253 Soluble
140 P R -0.9174 Soluble
141 S R -1.7004 Soluble
142 D R -3.0800 Soluble
143 E R -3.3724 Soluble
144 Q R 0.0000 Buried
145 L R -2.4380 Soluble
146 K R -3.0842 Soluble
147 S R -1.9355 Soluble
148 G R -1.3657 Soluble
149 T R -1.0101 Soluble
150 A R 0.0000 Buried
151 S R 0.0000 Buried
152 V R 0.0000 Buried
153 V R 0.0000 Buried
154 C R 0.0000 Buried
155 L R 0.0000 Buried
156 L R 0.0000 Buried
157 N R 0.0000 Buried
158 N R -1.4390 Soluble
159 F R 0.0000 Buried
160 Y R 0.0000 Buried
161 P R -1.5729 Soluble
162 R R -3.1693 Soluble
163 E R -3.2364 Soluble
164 A R -2.3148 Soluble
165 K R -2.3072 Soluble
166 V R -0.9638 Soluble
167 Q R -0.5784 Soluble
168 W R 0.0000 Buried
169 K R -0.5564 Soluble
170 V R 0.0000 Buried
171 D R -1.6314 Soluble
172 N R -1.3293 Soluble
173 A R -0.1866 Soluble
174 L R 0.7923 Aggregation-prone
175 Q R -0.0854 Soluble
176 S R -0.5020 Soluble
177 G R -0.8832 Soluble
178 N R -0.8343 Soluble
179 S R -0.9771 Soluble
180 Q R -1.1280 Soluble
181 E R -1.7716 Soluble
182 S R 0.0000 Buried
183 V R -0.7366 Soluble
184 T R -1.1899 Soluble
185 E R -2.3140 Soluble
186 Q R 0.0000 Buried
187 D R -2.6308 Soluble
188 S R -2.6284 Soluble
189 K R -3.1878 Soluble
190 D R -3.2217 Soluble
191 S R 0.0000 Buried
192 T R 0.0000 Buried
193 Y R 0.0000 Buried
194 S R 0.0000 Buried
195 L R 0.0000 Buried
196 S R 0.0000 Buried
197 S R 0.0000 Buried
198 T R -0.5717 Soluble
199 L R 0.0000 Buried
200 T R -0.2077 Soluble
201 L R -0.7477 Soluble
202 S R -1.3007 Soluble
203 K R -2.4156 Soluble
204 A R -2.1331 Soluble
205 D R -2.7630 Soluble
206 Y R 0.0000 Buried
207 E R -3.5961 Soluble
208 K R -3.5679 Soluble
209 H R -2.8788 Soluble
210 K R -2.6756 Soluble
211 V R -1.1038 Soluble
212 Y R 0.0000 Buried
213 A R 0.0000 Buried
214 C R 0.0000 Buried
215 E R -0.8292 Soluble
216 V R 0.0000 Buried
217 T R -1.1494 Soluble
218 H R 0.0000 Buried
219 Q R -1.6047 Soluble
220 G R -0.2115 Soluble
221 L R -0.1753 Soluble
222 S R -0.4764 Soluble
223 S R -0.4539 Soluble
224 P R -0.5648 Soluble
225 V R -0.0390 Soluble
226 T R -0.5230 Soluble
227 K R -0.9246 Soluble
228 S R -0.7501 Soluble
229 F R 0.0000 Buried
230 N R -1.9802 Soluble
231 R R -2.5035 Soluble
232 G R -2.1995 Soluble
233 E R -2.3836 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
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 -0.7068 2.6888 CSV PDB
4.5 -0.7562 2.4583 CSV PDB
5.0 -0.8138 2.3024 CSV PDB
5.5 -0.869 2.1596 CSV PDB
6.0 -0.9099 2.02 CSV PDB
6.5 -0.9271 1.9013 CSV PDB
7.0 -0.9205 1.8137 CSV PDB
7.5 -0.8983 1.7509 CSV PDB
8.0 -0.8679 1.7015 CSV PDB
8.5 -0.8309 1.6601 CSV PDB
9.0 -0.7864 1.6255 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH