Rontalizumab / 4z5r

A4DAB228_4z5r_Q_P | Source PDB: 4z5r | Chains: Q, P | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6984
Max Score
1.5417
Min Score
-3.5434
Total Score
-300.31
Score CDR
-0.1286
Score non-CDR
-0.77

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCATSGYTFTEYIIHWVRQAPGKGLEWVASINPDYDITNYNQRFKGRFTISLDKSKRTAYLQMNSLRAEDTAVYYCASWISDFFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKVLISYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWGIPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) Q (Heavy), P (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 -3.5434
Maximum Score 1.5417
Average Score -0.6984
Total Score -300.3132

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

Index Residue Chain A4D Score Classification
1 E Q -2.1101 Soluble
2 V Q -1.2764 Soluble
3 Q Q -1.3628 Soluble
4 L Q 0.0000 Buried
5 V Q 0.4232 Aggregation-prone
6 E Q 0.0000 Buried
7 S Q -0.4659 Soluble
8 G Q -0.8219 Soluble
9 G Q -0.4720 Soluble
11 G Q -0.3265 Soluble
12 L Q 0.0123 Aggregation-prone
13 V Q -0.5670 Soluble
14 Q Q -1.5697 Soluble
15 P Q -1.7124 Soluble
16 G Q -1.4775 Soluble
17 G Q -1.1349 Soluble
18 S Q -1.3771 Soluble
19 L Q -1.0390 Soluble
20 R Q -1.9725 Soluble
21 L Q 0.0000 Buried
22 S Q -0.4219 Soluble
23 C Q 0.0000 Buried
24 A Q -0.3095 Soluble
25 T Q 0.0000 Buried
26 S Q -1.0207 Soluble
27 G Q -1.3157 Soluble
28 Y Q -0.9000 Soluble
29 T Q -0.6642 Soluble
30 F Q 0.0000 Buried
35 T Q -1.4373 Soluble
36 E Q -1.6876 Soluble
37 Y Q -0.2672 Soluble
38 I Q 0.4557 Aggregation-prone
39 I Q 0.0000 Buried
40 H Q 0.0000 Buried
41 W Q 0.0000 Buried
42 V Q 0.0000 Buried
43 R Q 0.0000 Buried
44 Q Q -0.6808 Soluble
45 A Q -1.1545 Soluble
46 P Q -0.9750 Soluble
47 G Q -1.4607 Soluble
48 K Q -2.3185 Soluble
49 G Q -1.5465 Soluble
50 L Q 0.0000 Buried
51 E Q -0.7075 Soluble
52 W Q 0.0000 Buried
53 V Q 0.0000 Buried
54 A Q 0.0000 Buried
55 S Q 0.0000 Buried
56 I Q 0.0000 Buried
57 N Q -0.3570 Soluble
58 P Q 0.0000 Buried
59 D Q -1.9348 Soluble
62 Y Q -0.0175 Soluble
63 D Q -0.8759 Soluble
64 I Q 0.6846 Aggregation-prone
65 T Q 0.2810 Aggregation-prone
66 N Q -0.2517 Soluble
67 Y Q -1.1248 Soluble
68 N Q -1.5962 Soluble
69 Q Q -2.7138 Soluble
70 R Q -3.0391 Soluble
71 F Q 0.0000 Buried
72 K Q -3.0006 Soluble
74 G Q -2.0213 Soluble
75 R Q -1.6627 Soluble
76 F Q 0.0000 Buried
77 T Q -1.0419 Soluble
78 I Q 0.0000 Buried
79 S Q -0.3801 Soluble
80 L Q -0.9216 Soluble
81 D Q -1.7845 Soluble
82 K Q -2.5393 Soluble
83 S Q -1.9406 Soluble
84 K Q -2.5847 Soluble
85 R Q -1.9665 Soluble
86 T Q 0.0000 Buried
87 A Q 0.0000 Buried
88 Y Q -0.5236 Soluble
89 L Q 0.0000 Buried
90 Q Q -1.5690 Soluble
91 M Q 0.0000 Buried
92 N Q -1.6733 Soluble
93 S Q -1.3785 Soluble
94 L Q 0.0000 Buried
95 R Q -2.4259 Soluble
96 A Q -1.7935 Soluble
97 E Q -2.2577 Soluble
98 D Q 0.0000 Buried
99 T Q -0.7177 Soluble
100 A Q 0.0000 Buried
101 V Q 0.1835 Aggregation-prone
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 A Q 0.0000 Buried
106 S Q 0.0000 Buried
107 W Q 0.0000 Buried
108 I Q 1.5417 Aggregation-prone
109 S Q 0.7494 Aggregation-prone
113 D Q 0.1849 Aggregation-prone
114 F Q 0.2484 Aggregation-prone
115 F Q 0.0000 Buried
116 D Q -0.1980 Soluble
117 Y Q 0.1671 Aggregation-prone
118 W Q -0.4547 Soluble
119 G Q 0.0000 Buried
120 Q Q -1.5137 Soluble
121 G Q 0.0000 Buried
122 T Q -0.1325 Soluble
123 L Q -0.0155 Soluble
124 V Q 0.0000 Buried
125 T Q -0.4385 Soluble
126 V Q 0.0000 Buried
127 S Q -0.9239 Soluble
128 S Q -0.6912 Soluble
129 A Q -0.4529 Soluble
130 S Q -0.6027 Soluble
131 T Q -0.6892 Soluble
132 K Q -1.3965 Soluble
133 G Q -1.4633 Soluble
134 P Q -0.7510 Soluble
135 S Q -0.2629 Soluble
136 V Q 0.0000 Buried
137 F Q -0.5452 Soluble
138 P Q -0.9729 Soluble
139 L Q 0.0000 Buried
140 A Q -0.8029 Soluble
141 P Q 0.0000 Buried
142 S Q -0.4970 Soluble
143 S Q -0.5138 Soluble
144 G Q -0.8356 Soluble
145 G Q -0.8625 Soluble
146 T Q -0.5901 Soluble
147 A Q 0.0000 Buried
148 A Q 0.0000 Buried
149 L Q 0.0000 Buried
150 G Q 0.0000 Buried
151 C Q 0.0000 Buried
152 L Q 0.0000 Buried
153 V Q 0.0000 Buried
154 K Q 0.0000 Buried
155 D Q -0.4484 Soluble
156 Y Q 0.0000 Buried
157 F Q 0.0000 Buried
158 P Q 0.0000 Buried
159 E Q -0.4616 Soluble
160 P Q -0.6614 Soluble
161 V Q -0.6224 Soluble
162 T Q -0.5284 Soluble
163 V Q -0.1967 Soluble
164 S Q -0.3835 Soluble
165 W Q 0.0000 Buried
166 N Q -0.6944 Soluble
167 S Q -0.6698 Soluble
168 G Q -0.5659 Soluble
169 A Q -0.2333 Soluble
170 L Q 0.0199 Aggregation-prone
171 T Q -0.2116 Soluble
172 S Q -0.2487 Soluble
173 G Q -0.3016 Soluble
174 V Q 0.0163 Aggregation-prone
175 H Q -0.4457 Soluble
176 T Q -0.1909 Soluble
177 F Q 0.0000 Buried
178 P Q -0.2602 Soluble
179 A Q 0.2680 Aggregation-prone
180 V Q 0.7021 Aggregation-prone
181 L Q 1.4953 Aggregation-prone
182 Q Q 0.4774 Aggregation-prone
183 S Q -0.0161 Soluble
184 S Q -0.1665 Soluble
185 G Q 0.1444 Aggregation-prone
186 L Q 0.2150 Aggregation-prone
187 Y Q 0.5353 Aggregation-prone
188 S Q 0.3195 Aggregation-prone
189 L Q 0.0000 Buried
190 S Q 0.0000 Buried
191 S Q 0.0000 Buried
192 V Q 0.0000 Buried
193 V Q 0.0000 Buried
194 T Q -0.1933 Soluble
195 V Q 0.0000 Buried
196 P Q -0.5522 Soluble
197 S Q -0.6243 Soluble
198 S Q -0.7047 Soluble
199 S Q -0.6386 Soluble
200 L Q -0.8934 Soluble
201 G Q -1.1654 Soluble
202 T Q -1.0470 Soluble
203 Q Q -1.4548 Soluble
204 T Q -1.2326 Soluble
205 Y Q 0.0000 Buried
206 I Q -1.2190 Soluble
207 C Q 0.0000 Buried
208 N Q -1.4663 Soluble
209 V Q 0.0000 Buried
210 N Q -1.8422 Soluble
211 H Q 0.0000 Buried
212 K Q -2.7640 Soluble
213 P Q -1.6101 Soluble
214 S Q -1.8644 Soluble
215 N Q -2.6431 Soluble
216 T Q -2.0805 Soluble
217 K Q -2.6623 Soluble
218 V Q -1.7373 Soluble
219 D Q -2.5641 Soluble
220 K Q -2.0786 Soluble
221 K Q -2.5727 Soluble
222 V Q 0.0000 Buried
223 E Q -2.5685 Soluble
224 P Q -1.2611 Soluble
1 D P -2.0741 Soluble
2 I P 0.0000 Buried
3 Q P -2.2845 Soluble
4 M P 0.0000 Buried
5 T P -1.5067 Soluble
6 Q P 0.0000 Buried
7 S P -0.8463 Soluble
8 P P -0.4916 Soluble
9 S P -0.8193 Soluble
10 S P -0.7554 Soluble
11 L P -0.5674 Soluble
12 S P -0.7683 Soluble
13 A P -1.1144 Soluble
14 S P -1.1400 Soluble
15 V P -0.3794 Soluble
16 G P -0.8372 Soluble
17 D P -1.8731 Soluble
18 R P -2.3103 Soluble
19 V P 0.0000 Buried
20 T P -0.6132 Soluble
21 I P 0.0000 Buried
22 T P -1.0043 Soluble
23 C P 0.0000 Buried
24 R P -2.9071 Soluble
25 A P 0.0000 Buried
26 S P -1.9634 Soluble
27 Q P -1.9260 Soluble
28 S P -1.0074 Soluble
29 V P 0.0000 Buried
30 S P 0.1640 Aggregation-prone
31 T P 0.2692 Aggregation-prone
34 S P -0.0253 Soluble
35 S P 0.2735 Aggregation-prone
36 Y P 1.2021 Aggregation-prone
37 S P 0.0000 Buried
38 Y P 0.6880 Aggregation-prone
39 M P 0.0000 Buried
40 H P 0.0000 Buried
41 W P 0.0000 Buried
42 Y P 0.0000 Buried
43 Q P 0.0000 Buried
44 Q P 0.0000 Buried
45 K P -1.7721 Soluble
46 P P -1.3954 Soluble
47 G P -1.7858 Soluble
48 K P -2.5488 Soluble
49 A P -1.5414 Soluble
50 P P 0.0000 Buried
51 K P -1.4609 Soluble
52 V P -0.4727 Soluble
53 L P 0.0000 Buried
54 I P 0.0000 Buried
55 S P 0.0000 Buried
56 Y P 0.2096 Aggregation-prone
57 A P 0.0000 Buried
65 S P -0.5941 Soluble
66 N P -1.0394 Soluble
67 L P -0.3571 Soluble
68 E P -0.5894 Soluble
69 S P -0.5328 Soluble
70 G P -0.5343 Soluble
71 V P -0.3522 Soluble
72 P P -0.3406 Soluble
74 S P -0.4228 Soluble
75 R P -0.7265 Soluble
76 F P 0.0000 Buried
77 S P -0.5069 Soluble
78 G P -0.4765 Soluble
79 S P -0.8550 Soluble
80 G P -1.1927 Soluble
83 S P -0.7320 Soluble
84 G P -1.0267 Soluble
85 T P -1.9086 Soluble
86 D P -2.7891 Soluble
87 F P 0.0000 Buried
88 T P -0.9062 Soluble
89 L P 0.0000 Buried
90 T P -0.6047 Soluble
91 I P 0.0000 Buried
92 S P -1.3626 Soluble
93 S P -1.1323 Soluble
94 L P 0.0000 Buried
95 Q P -0.8989 Soluble
96 P P -1.6456 Soluble
97 E P -1.9028 Soluble
98 D P 0.0000 Buried
99 F P 0.0000 Buried
100 A P 0.0000 Buried
101 T P -0.7658 Soluble
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 Q P 0.0000 Buried
106 H P 0.0000 Buried
107 S P 0.2669 Aggregation-prone
108 W P 0.2541 Aggregation-prone
109 G P 0.0699 Aggregation-prone
114 I P 0.3511 Aggregation-prone
115 P P 0.0000 Buried
116 R P -0.3307 Soluble
117 T P -0.6942 Soluble
118 F P 0.0000 Buried
119 G P 0.0000 Buried
120 Q P -1.7243 Soluble
121 G P 0.0000 Buried
122 T P 0.0000 Buried
123 K P -1.3484 Soluble
124 V P 0.0000 Buried
125 E P -1.2945 Soluble
126 I P 0.0000 Buried
127 K P -1.7746 Soluble
128 R P -1.1454 Soluble
129 T P -0.2592 Soluble
130 V P 0.3506 Aggregation-prone
131 A P 0.0325 Aggregation-prone
132 A P -0.1741 Soluble
133 P P 0.0000 Buried
134 S P -0.2984 Soluble
135 V P 0.0000 Buried
136 F P -0.0609 Soluble
137 I P 0.0000 Buried
138 F P 0.0000 Buried
139 P P -0.5834 Soluble
140 P P -0.7217 Soluble
141 S P -1.3788 Soluble
142 D P -2.6494 Soluble
143 E P -2.3685 Soluble
144 Q P 0.0000 Buried
145 L P -2.0516 Soluble
146 K P -2.7171 Soluble
147 S P -1.7236 Soluble
148 G P -1.3857 Soluble
149 T P -1.3211 Soluble
150 A P 0.0000 Buried
151 S P 0.0000 Buried
152 V P 0.0000 Buried
153 V P 0.0000 Buried
154 C P 0.0000 Buried
155 L P 0.0000 Buried
156 L P 0.0000 Buried
157 N P -0.4827 Soluble
158 N P -1.0962 Soluble
159 F P 0.0000 Buried
160 Y P 0.0000 Buried
161 P P -1.9543 Soluble
162 R P -3.2469 Soluble
163 E P -3.2854 Soluble
164 A P -2.3913 Soluble
165 K P -2.4387 Soluble
166 V P -1.0535 Soluble
167 Q P -0.4664 Soluble
168 W P 0.0000 Buried
169 K P -0.5359 Soluble
170 V P 0.0000 Buried
171 D P -1.9607 Soluble
172 N P -1.5527 Soluble
173 A P -0.2661 Soluble
174 L P 0.7486 Aggregation-prone
175 Q P -0.2021 Soluble
176 S P -0.6587 Soluble
177 G P -1.2052 Soluble
178 N P -1.4651 Soluble
179 S P -1.3446 Soluble
180 Q P -1.2866 Soluble
181 E P -1.7570 Soluble
182 S P -0.9274 Soluble
183 V P -0.8056 Soluble
184 T P -1.0616 Soluble
185 E P -1.9521 Soluble
186 Q P 0.0000 Buried
187 D P -1.9860 Soluble
188 S P -2.1970 Soluble
189 K P -2.5393 Soluble
190 D P -1.8752 Soluble
191 S P 0.0000 Buried
192 T P 0.0000 Buried
193 Y P 0.0000 Buried
194 S P 0.0000 Buried
195 L P 0.0000 Buried
196 S P 0.0000 Buried
197 S P 0.0000 Buried
198 T P -0.7299 Soluble
199 L P 0.0000 Buried
200 T P -0.6013 Soluble
201 L P -0.8574 Soluble
202 S P -1.2323 Soluble
203 K P -2.2313 Soluble
204 A P -2.0081 Soluble
205 D P -2.9388 Soluble
206 Y P 0.0000 Buried
207 E P -3.2139 Soluble
208 K P -3.5434 Soluble
209 H P -3.0781 Soluble
210 K P -2.9969 Soluble
211 V P -1.4312 Soluble
212 Y P 0.0000 Buried
213 A P 0.0000 Buried
214 C P 0.0000 Buried
215 E P -0.7176 Soluble
216 V P 0.0000 Buried
217 T P -1.1688 Soluble
218 H P 0.0000 Buried
219 Q P -1.7447 Soluble
220 G P -0.4247 Soluble
221 L P -0.2393 Soluble
222 S P -0.4504 Soluble
223 S P -0.4241 Soluble
224 P P -0.5161 Soluble
225 V P -0.0165 Soluble
226 T P -0.5391 Soluble
227 K P -0.8821 Soluble
228 S P -0.6623 Soluble
229 F P -1.1032 Soluble
230 N P -2.1021 Soluble
231 R P -2.4630 Soluble
232 G P -2.0830 Soluble
233 E P -2.5302 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 -0.7357 2.6571 CSV PDB
4.5 -0.7814 2.5693 CSV PDB
5.0 -0.8352 2.445 CSV PDB
5.5 -0.887 2.3025 CSV PDB
6.0 -0.925 2.1605 CSV PDB
6.5 -0.9396 2.0362 CSV PDB
7.0 -0.9306 1.9419 CSV PDB
7.5 -0.9061 1.8745 CSV PDB
8.0 -0.8733 1.8227 CSV PDB
8.5 -0.8341 1.78 CSV PDB
9.0 -0.7881 1.7453 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH