A0A060XIG6_ONCMY Loading...

NOTCH regulated ankyrin repeat protein a

Regulates independently canonical Wnt and Notch signaling by modulating LEF1 and Notch protein turnover. Stabilizes LEF1, a pivotal transcription factor in the Wnt signaling cascade, by blocking its ubiquitination. Involved in angiogenesis; involved in intersegmental vessel patterning during development.

AlphaFold DB , UniProt , Accession A0A060XIG6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 112 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low46.6Very low241 Ų241117.2 Ų117.2100%1.18772%0.718SS**  078.80-69.1155.376.400106.7Q3M1-Q3 PolarHBondContact O-N 3.11Å
2S43.5Very low48.3Very low116 Ų116111.4 Ų111.481%0.81168%0.684SS**  trans-90.9105.9-174.9-520000107.6
3Q37.7Very low49.9Very low197 Ų197105.3 Ų105.392%0.92164%0.643SS**  trans-133.572.1145.6-70.6-148.31.600107.4M1 D5M1-Q3 PolarHBondContact O-N 3.11Å; Q3-D5 PolarHBondContact O-N 3.44Å
4G45.9Very low51.4Low67 Ų67110.4 Ų110.469%0.69165%0.645SS**  trans-71.6107.4147.600000106.6
5D34.6Very low53.1Low131 Ų131107.9 Ų107.970%0.70163%0.632SS**  trans-157.377.9147.5-111-42000106.2Q3 S7Q3-D5 PolarHBondContact O-N 3.44Å; D5-S7 WeakPolarHBondContact CB-OG 3.44Å; D5-S7 PolarHBondContact O-N 3.4Å; D5-S7 PolarHBondContact OD1-OG 3.17Å
6V49.5Very low54.6Low149 Ų149101.2 Ų101.290%0.90359%0.592SS**  trans-76.156.1157.658.70000107T8V6-T8 PolarHBondContact O-N 3.47Å
7S47.2Very low55.7Low68 Ų6896.4 Ų96.448%0.47656%0.563SS.*  trans-76.1117.9-173.3-28.20000108.7D5D5-S7 WeakPolarHBondContact CB-OG 3.44Å; D5-S7 PolarHBondContact O-N 3.4Å; D5-S7 PolarHBondContact OD1-OG 3.17Å
8T44.4Very low56.9Low119 Ų11996.4 Ų96.473%0.7356%0.556SS**  trans61.870.1153.6680000116.4V6 S10 Q13V6-T8 PolarHBondContact O-N 3.47Å; T8-S10 PolarHBondContact O-N 3.35Å; T8-Q13 PolarHBondContact O-OE1 3.46Å
9C49.9Very low58.1Low63 Ų6391.4 Ų91.443%0.42653%0.528SS..  trans-83.494.5151.3-99.20000108.2A11 R14C9-A11 PolarHBondContact O-N 2.9Å; C9-R14 HydrophobicContact CB-CG 3.86Å
10S57Low59.1Low67 Ų6786.9 Ų86.947%0.46950%0.502SS..  trans-55.7137.5163.1-172.40000108T8 P12 Q13 R14T8-S10 PolarHBondContact O-N 3.35Å; S10-P12 VanDerWaalsContact OG-CD 3.27Å; S10-P12 WeakPolarHBondContact OG-CD 3.28Å; S10-P12 VanDerWaalsContact OG-CG 3.27Å; S10-P12 WeakPolarHBondContact OG-CG 2.99Å; S10-Q13 WeakPolarHBondContact O-CB 3.49Å; S10-Q13 PolarHBondContact O-N 3.46Å; S10-R14 PolarHBondContact O-N 3.3Å
11A64.9Low59.8Low71 Ų7187.3 Ų87.359%0.58750%0.498SS*.Hα-helixtrans-39.3-44178.200000114.4C9 Q13 R14 V15C9-A11 PolarHBondContact O-N 2.9Å; A11-Q13 PolarHBondContact O-N 3.3Å; A11-R14 PolarHBondContact O-N 2.98Å; A11-V15 WeakPolarHBondContact O-CG2 3.5Å; A11-V15 PolarHBondContact O-N 2.68Å
12P66.8Low61.6Low48 Ų4881.4 Ų81.431%0.31247%0.467SS..Hα-helixtrans-58-37.5173.818.6-35.1000116.2S10 F16 M35S10-P12 VanDerWaalsContact OG-CD 3.27Å; S10-P12 WeakPolarHBondContact OG-CD 3.28Å; S10-P12 VanDerWaalsContact OG-CG 3.27Å; S10-P12 WeakPolarHBondContact OG-CG 2.99Å; P12-F16 PolarHBondContact O-N 3.45Å; P12-F16 VanDerWaalsContact O-N 3.11Å; P12-M35 HydrophobicContact CB-CE 3.8Å; P12-M35 HydrophobicContact CB-CG 4.49Å; P12-M35 HydrophobicContact CB-SD 3.33Å; P12-M35 WeakPolarHBondContact CB-SD 3.46Å; P12-M35 VanDerWaalsContact O-CE 3.27Å; P12-M35 WeakPolarHBondContact O-CE 3.32Å
13Q68.7Low62.9Low32 Ų3277.1 Ų77.115%0.1544%0.442CS..Hα-helixtrans-69.7-36.7179.5-73.8166.8-27.700111.8T8 S10 A11 F16 Q17 F40T8-Q13 PolarHBondContact O-OE1 3.46Å; S10-Q13 WeakPolarHBondContact O-CB 3.49Å; S10-Q13 PolarHBondContact O-N 3.46Å; A11-Q13 PolarHBondContact O-N 3.3Å; Q13-F16 PolarHBondContact O-N 2.95Å; Q13-Q17 PolarHBondContact O-N 3.42Å; Q13-F40 HydrophobicContact CG-CE2 4.34Å
14R70.8Confident64.6Low176 Ų17670.9 Ų70.966%0.66441%0.414SS*.Hα-helixtrans-62.8-46.7174.8-95.6176155.7171.8-6112.1C9 S10 A11 F16 Q17 E18C9-R14 HydrophobicContact CB-CG 3.86Å; S10-R14 PolarHBondContact O-N 3.3Å; A11-R14 PolarHBondContact O-N 2.98Å; R14-F16 VanDerWaalsContact C-N 3.28Å; R14-F16 PolarHBondContact O-N 3.42Å; R14-Q17 PolarHBondContact O-N 3.36Å; R14-E18 WeakPolarHBondContact O-CB 3.28Å; R14-E18 PolarHBondContact O-N 3.43Å
15V76.8Confident65.8Low74 Ų7470.3 Ų70.345%0.44840%0.398SS..Hα-helixtrans-60.8-41.61781770000110.7A11 E18 A19 L31A11-V15 WeakPolarHBondContact O-CG2 3.5Å; A11-V15 PolarHBondContact O-N 2.68Å; V15-E18 PolarHBondContact O-N 2.97Å; V15-A19 PolarHBondContact O-N 3.41Å; V15-L31 HydrophobicContact CG1-CD1 4.11Å; V15-L31 HydrophobicContact CG1-CD2 3.97Å
16F77.9Confident67.7Low0 Ų072 Ų720%040%0.399CS..Hα-helixtrans-62.2-50.1175.9173.6-100.8000112.9P12 Q13 R14 E18 A19 V20 L28 L32 M35 F40 A52 L68P12-F16 PolarHBondContact O-N 3.45Å; P12-F16 VanDerWaalsContact O-N 3.11Å; Q13-F16 PolarHBondContact O-N 2.95Å; R14-F16 VanDerWaalsContact C-N 3.28Å; R14-F16 PolarHBondContact O-N 3.42Å; F16-E18 PolarHBondContact O-N 3.4Å; F16-A19 WeakPolarHBondContact O-CB 3.42Å; F16-A19 PolarHBondContact O-N 2.9Å; F16-A19 VanDerWaalsContact O-N 3.1Å; F16-V20 HydrophobicContact CD1-CG2 4.27Å; F16-V20 HydrophobicContact CE1-CG2 4Å; F16-V20 HydrophobicContact CE2-CG2 4.38Å; F16-V20 HydrophobicContact CZ-CG2 4.07Å; F16-V20 WeakPolarHBondContact O-CG2 3.44Å; F16-V20 PolarHBondContact O-N 3.03Å; F16-L28 HydrophobicContact CD2-CD2 3.56Å; F16-L28 HydrophobicContact CE2-CD2 3.49Å; F16-L28 VanDerWaalsContact CE2-CD2 3.49Å; F16-L28 HydrophobicContact CG-CD2 4.42Å; F16-L28 HydrophobicContact CZ-CD2 4.33Å; F16-L32 HydrophobicContact CD2-CD2 4.3Å; F16-L32 HydrophobicContact CD2-CG 4.48Å; F16-L32 HydrophobicContact CE2-CD1 4.17Å; F16-L32 HydrophobicContact CE2-CD2 3.56Å; F16-L32 HydrophobicContact CE2-CG 3.8Å; F16-L32 HydrophobicContact CZ-CD2 4.17Å; F16-M35 HydrophobicContact CB-CE 4.22Å; F16-F40 HydrophobicContact CB-CE2 3.89Å; F16-F40 HydrophobicContact CB-CZ 3.87Å; F16-F40 HydrophobicContact CD1-CE1 4.47Å; F16-F40 HydrophobicContact CD1-CE2 4.18Å; F16-F40 AromaticContact CD1-CZ 3.48Å; F16-F40 HydrophobicContact CD1-CZ 3.48Å; F16-F40 VanDerWaalsContact CD1-CZ 3.48Å; F16-F40 HydrophobicContact CD2-CE1 4.22Å; F16-F40 HydrophobicContact CD2-CE2 4.38Å; F16-F40 AromaticContact CD2-CZ 3.58Å; F16-F40 HydrophobicContact CD2-CZ 3.58Å; F16-F40 HydrophobicContact CE1-CE1 4.28Å; F16-F40 AromaticContact CE1-CZ 3.67Å; F16-F40 HydrophobicContact CE1-CZ 3.67Å; F16-F40 HydrophobicContact CE2-CE1 4.08Å; F16-F40 AromaticContact CE2-CZ 3.82Å; F16-F40 HydrophobicContact CE2-CZ 3.82Å; F16-F40 HydrophobicContact CG-CE1 4.38Å; F16-F40 AromaticContact CG-CE2 3.93Å; F16-F40 HydrophobicContact CG-CE2 3.93Å; F16-F40 AromaticContact CG-CZ 3.36Å; F16-F40 HydrophobicContact CG-CZ 3.36Å; F16-F40 HydrophobicContact CZ-CE1 4.07Å; F16-F40 AromaticContact CZ-CZ 3.82Å; F16-F40 HydrophobicContact CZ-CZ 3.82Å; F16-A52 HydrophobicContact CD1-CB 4.41Å; F16-A52 HydrophobicContact CE1-CB 3.41Å; F16-A52 VanDerWaalsContact CE1-CB 3.41Å; F16-A52 HydrophobicContact CZ-CB 3.89Å; F16-L68 HydrophobicContact CE1-CD2 4.44Å; F16-L68 HydrophobicContact CE2-CD2 4.28Å; F16-L68 HydrophobicContact CZ-CD2 3.51Å
17Q73.6Confident69Low20 Ų2068.3 Ų68.39%0.09337%0.372CS..Hα-helixtrans-63.6-34.5-178.1-165.96650.100111.8Q13 R14 V20 K21Q13-Q17 PolarHBondContact O-N 3.42Å; R14-Q17 PolarHBondContact O-N 3.36Å; Q17-V20 PolarHBondContact O-N 3.24Å; Q17-K21 PolarHBondContact O-N 3.41Å
18E76.4Confident70.3Confident96 Ų9665 Ų6545%0.44935%0.349SS..Hα-helixtrans-64.3-44.9172.6-174.256.6-148.800111.5R14 V15 F16 V20 K21 Q22R14-E18 WeakPolarHBondContact O-CB 3.28Å; R14-E18 PolarHBondContact O-N 3.43Å; V15-E18 PolarHBondContact O-N 2.97Å; F16-E18 PolarHBondContact O-N 3.4Å; E18-V20 VanDerWaalsContact C-N 3.27Å; E18-V20 PolarHBondContact O-N 2.89Å; E18-K21 WeakPolarHBondContact O-CB 3.43Å; E18-K21 PolarHBondContact O-N 3.1Å; E18-K21 VanDerWaalsContact O-N 3.11Å; E18-Q22 WeakPolarHBondContact O-CG 3.48Å; E18-Q22 PolarHBondContact O-N 2.97Å; E18-Q22 PolarHBondContact OE1-NE2 3.31Å
19A79.6Confident71.9Confident2 Ų263.1 Ų63.12%0.01733%0.332CS..Hα-helixtrans-62.1-33.6175.200000112.8V15 F16 Q22 G23 E27 L28 L31V15-A19 PolarHBondContact O-N 3.41Å; F16-A19 WeakPolarHBondContact O-CB 3.42Å; F16-A19 PolarHBondContact O-N 2.9Å; F16-A19 VanDerWaalsContact O-N 3.1Å; A19-Q22 PolarHBondContact O-N 3.4Å; A19-G23 PolarHBondContact O-N 2.99Å; A19-E27 HydrophobicContact CB-CG 4.27Å; A19-L28 HydrophobicContact CB-CD2 3.79Å; A19-L28 HydrophobicContact CB-CG 4.11Å; A19-L31 HydrophobicContact CB-CD1 3.49Å; A19-L31 VanDerWaalsContact CB-CD1 3.49Å
20V78.4Confident73.3Confident0 Ų063.7 Ų63.70%034%0.336CS..Hα-helixtrans-64.9-46.8171.6-177.90000111F16 Q17 E18 Q22 G23 L28 A52 Q55 L64F16-V20 HydrophobicContact CD1-CG2 4.27Å; F16-V20 HydrophobicContact CE1-CG2 4Å; F16-V20 HydrophobicContact CE2-CG2 4.38Å; F16-V20 HydrophobicContact CZ-CG2 4.07Å; F16-V20 WeakPolarHBondContact O-CG2 3.44Å; F16-V20 PolarHBondContact O-N 3.03Å; Q17-V20 PolarHBondContact O-N 3.24Å; E18-V20 VanDerWaalsContact C-N 3.27Å; E18-V20 PolarHBondContact O-N 2.89Å; V20-Q22 VanDerWaalsContact C-N 3.25Å; V20-Q22 PolarHBondContact O-N 3.23Å; V20-G23 PolarHBondContact O-N 2.76Å; V20-L28 HydrophobicContact CB-CD1 4.44Å; V20-L28 HydrophobicContact CG2-CD1 3.93Å; V20-L28 HydrophobicContact CG2-CD2 3.56Å; V20-L28 HydrophobicContact CG2-CG 4.36Å; V20-A52 HydrophobicContact CG1-CB 4.34Å; V20-A52 HydrophobicContact CG2-CB 3.72Å; V20-Q55 HydrophobicContact CG1-CB 3.8Å; V20-Q55 HydrophobicContact CG1-CG 3.85Å; V20-L64 HydrophobicContact CG1-CD2 4.08Å
21K74.3Confident74.2Confident96 Ų9661.8 Ų61.842%0.41732%0.321SS..Hα-helixtrans-60.4-34.6177.2-82.6-170.9166.5-169.60113Q17 E18 G23Q17-K21 PolarHBondContact O-N 3.41Å; E18-K21 WeakPolarHBondContact O-CB 3.43Å; E18-K21 PolarHBondContact O-N 3.1Å; E18-K21 VanDerWaalsContact O-N 3.11Å; K21-G23 PolarHBondContact O-N 3.4Å
22Q75.8Confident74.6Confident117 Ų11758.5 Ų58.555%0.54729%0.293SS..THydrogen-bonded Turntrans-75.5-8.1177.1-67.4-17427.200113.1E18 A19 V20 N24E18-Q22 WeakPolarHBondContact O-CG 3.48Å; E18-Q22 PolarHBondContact O-N 2.97Å; E18-Q22 PolarHBondContact OE1-NE2 3.31Å; A19-Q22 PolarHBondContact O-N 3.4Å; V20-Q22 VanDerWaalsContact C-N 3.25Å; V20-Q22 PolarHBondContact O-N 3.23Å; Q22-N24 PolarHBondContact O-N 3.13Å; Q22-N24 VanDerWaalsContact O-N 3.13Å
23G69.8Low75Confident27 Ų2761.7 Ų61.728%0.27830%0.304SS..THydrogen-bonded Turntrans66.111.8179.600000114A19 V20 K21 T25A19-G23 PolarHBondContact O-N 2.99Å; V20-G23 PolarHBondContact O-N 2.76Å; K21-G23 PolarHBondContact O-N 3.4Å; G23-T25 PolarHBondContact O-N 2.92Å
24N73.8Confident74.9Confident65 Ų6566.4 Ų66.435%0.34833%0.33SS..  trans-82.286.6-174.2-169.30.8000110.7Q22 K26 E27 L28Q22-N24 PolarHBondContact O-N 3.13Å; Q22-N24 VanDerWaalsContact O-N 3.13Å; N24-K26 PolarHBondContact O-N 2.99Å; N24-K26 VanDerWaalsContact O-N 3.17Å; N24-E27 HydrophobicContact CB-CB 4.04Å; N24-E27 WeakPolarHBondContact ND2-CB 3.42Å; N24-E27 PolarHBondContact ND2-OE2 3.36Å; N24-E27 PolarHBondContact O-N 3Å; N24-E27 VanDerWaalsContact O-N 3.14Å; N24-L28 PolarHBondContact O-N 3.44Å
25T72.1Confident74.6Confident56 Ų5659.1 Ų59.134%0.34430%0.304SS..Hα-helixtrans-57.1-31.1-177.555.20000113.6G23 H29 L64G23-T25 PolarHBondContact O-N 2.92Å; T25-H29 WeakPolarHBondContact O-CB 3.47Å; T25-H29 PolarHBondContact O-N 3.4Å; T25-L64 HydrophobicContact CG2-CB 4.41Å; T25-L64 HydrophobicContact CG2-CD1 4.19Å
26K74.9Confident73.8Confident166 Ų16660.5 Ų60.572%0.72231%0.313SS*.Hα-helixtrans-70.5-43.4178-66.8-178.2-179.4176.80111.9N24 H29 S30N24-K26 PolarHBondContact O-N 2.99Å; N24-K26 VanDerWaalsContact O-N 3.17Å; K26-H29 PolarHBondContact O-N 3.26Å; K26-S30 PolarHBondContact O-N 3.36Å; K26-S30 PolarHBondContact O-OG 3.07Å
27E74.9Confident72.8Confident71 Ų7167.6 Ų67.633%0.33235%0.35SS..Hα-helixtrans-67.7-40.5176.9-175175.1-174.500110.9A19 N24 H29 S30 L31A19-E27 HydrophobicContact CB-CG 4.27Å; N24-E27 HydrophobicContact CB-CB 4.04Å; N24-E27 WeakPolarHBondContact ND2-CB 3.42Å; N24-E27 PolarHBondContact ND2-OE2 3.36Å; N24-E27 PolarHBondContact O-N 3Å; N24-E27 VanDerWaalsContact O-N 3.14Å; E27-H29 VanDerWaalsContact C-N 3.34Å; E27-H29 PolarHBondContact O-N 3.45Å; E27-S30 PolarHBondContact O-N 2.99Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.41Å; E27-L31 WeakPolarHBondContact O-CB 3.38Å; E27-L31 WeakPolarHBondContact O-CG 3.3Å; E27-L31 PolarHBondContact O-N 3.4Å
28L75.6Confident71.9Confident0 Ų070.9 Ų70.90%038%0.375CS..Hα-helixtrans-61.2-41.1172.6-80.8177000113.3F16 A19 V20 N24 L31 L32 L64 L67F16-L28 HydrophobicContact CD2-CD2 3.56Å; F16-L28 HydrophobicContact CE2-CD2 3.49Å; F16-L28 VanDerWaalsContact CE2-CD2 3.49Å; F16-L28 HydrophobicContact CG-CD2 4.42Å; F16-L28 HydrophobicContact CZ-CD2 4.33Å; A19-L28 HydrophobicContact CB-CD2 3.79Å; A19-L28 HydrophobicContact CB-CG 4.11Å; V20-L28 HydrophobicContact CB-CD1 4.44Å; V20-L28 HydrophobicContact CG2-CD1 3.93Å; V20-L28 HydrophobicContact CG2-CD2 3.56Å; V20-L28 HydrophobicContact CG2-CG 4.36Å; N24-L28 PolarHBondContact O-N 3.44Å; L28-L31 PolarHBondContact O-N 3.12Å; L28-L32 VanDerWaalsContact O-CB 3.28Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 3.36Å; L28-L64 HydrophobicContact CD1-CD1 3.33Å; L28-L64 HydrophobicContact CD1-CD2 3.79Å; L28-L64 HydrophobicContact CD1-CG 3.53Å; L28-L67 HydrophobicContact CB-CD2 4.41Å
29H77.1Confident71Confident79 Ų7976.2 Ų76.237%0.36640%0.4SS..Hα-helixtrans-62.5-45.3176.6-168.4-82.9000111.2T25 K26 E27 Q33 L67T25-H29 WeakPolarHBondContact O-CB 3.47Å; T25-H29 PolarHBondContact O-N 3.4Å; K26-H29 PolarHBondContact O-N 3.26Å; E27-H29 VanDerWaalsContact C-N 3.34Å; E27-H29 PolarHBondContact O-N 3.45Å; H29-Q33 PolarHBondContact CE1-NE2 3.36Å; H29-Q33 VanDerWaalsContact CE1-NE2 3.32Å; H29-Q33 PolarHBondContact ND1-OE1 2.84Å; H29-Q33 WeakPolarHBondContact O-CB 3.35Å; H29-Q33 WeakPolarHBondContact O-CG 3.37Å; H29-Q33 PolarHBondContact O-N 3.39Å; H29-L67 HydrophobicContact CB-CD2 4.39Å
30S80.4Confident70.5Confident74 Ų7478.1 Ų78.152%0.51741%0.408SS..Hα-helixtrans-63.9-42.8176-62.50000112.3K26 E27 Q33 N34K26-S30 PolarHBondContact O-N 3.36Å; K26-S30 PolarHBondContact O-OG 3.07Å; E27-S30 PolarHBondContact O-N 2.99Å; S30-Q33 PolarHBondContact O-N 3.4Å; S30-N34 VanDerWaalsContact O-CB 3.29Å; S30-N34 WeakPolarHBondContact O-CB 3.33Å; S30-N34 PolarHBondContact O-N 3.45Å
31L76.1Confident70.4Confident28 Ų2881.8 Ų81.815%0.14743%0.428CS..Hα-helixtrans-63-49.9176.8-79.2172.2000110.8V15 A19 E27 L28 Q33 N34 M35V15-L31 HydrophobicContact CG1-CD1 4.11Å; V15-L31 HydrophobicContact CG1-CD2 3.97Å; A19-L31 HydrophobicContact CB-CD1 3.49Å; A19-L31 VanDerWaalsContact CB-CD1 3.49Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.41Å; E27-L31 WeakPolarHBondContact O-CB 3.38Å; E27-L31 WeakPolarHBondContact O-CG 3.3Å; E27-L31 PolarHBondContact O-N 3.4Å; L28-L31 PolarHBondContact O-N 3.12Å; L31-Q33 VanDerWaalsContact C-N 3.32Å; L31-Q33 PolarHBondContact O-N 3.45Å; L31-N34 PolarHBondContact O-N 2.95Å; L31-M35 VanDerWaalsContact O-CB 3.24Å; L31-M35 WeakPolarHBondContact O-CB 3.34Å; L31-M35 PolarHBondContact O-N 3.35Å
32L73.4Confident70.6Confident2 Ų277.7 Ų77.71%0.0141%0.411CS..Hα-helixtrans-61.7-39.5178.7-73.8167.4000111.8F16 L28 T36 F40 V42 L67 F71F16-L32 HydrophobicContact CD2-CD2 4.3Å; F16-L32 HydrophobicContact CD2-CG 4.48Å; F16-L32 HydrophobicContact CE2-CD1 4.17Å; F16-L32 HydrophobicContact CE2-CD2 3.56Å; F16-L32 HydrophobicContact CE2-CG 3.8Å; F16-L32 HydrophobicContact CZ-CD2 4.17Å; L28-L32 VanDerWaalsContact O-CB 3.28Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 3.36Å; L32-T36 WeakPolarHBondContact O-CG2 3.18Å; L32-T36 PolarHBondContact O-N 3.06Å; L32-F40 HydrophobicContact CD2-CD1 4.13Å; L32-F40 HydrophobicContact CD2-CE1 3.58Å; L32-F40 HydrophobicContact CD2-CZ 4.44Å; L32-V42 HydrophobicContact CD2-CG1 4.3Å; L32-L67 HydrophobicContact CD1-CD2 3.66Å; L32-L67 HydrophobicContact CD1-CG 3.82Å; L32-F71 HydrophobicContact CB-CD1 4.37Å; L32-F71 HydrophobicContact CB-CD2 4.22Å; L32-F71 HydrophobicContact CB-CE1 3.98Å; L32-F71 HydrophobicContact CB-CE2 3.83Å; L32-F71 HydrophobicContact CB-CG 4.48Å; L32-F71 HydrophobicContact CB-CZ 3.71Å; L32-F71 HydrophobicContact CD1-CD2 3.72Å; L32-F71 HydrophobicContact CD1-CE2 3.91Å; L32-F71 HydrophobicContact CD1-CG 4.29Å; L32-F71 HydrophobicContact CD2-CB 4.46Å; L32-F71 HydrophobicContact CD2-CD1 4.39Å; L32-F71 HydrophobicContact CD2-CD2 4.43Å; L32-F71 HydrophobicContact CD2-CG 4.19Å; L32-F71 HydrophobicContact CG-CD2 4.35Å; L32-F71 HydrophobicContact CG-CE2 4.4Å
33Q73.9Confident71Confident115 Ų11573.8 Ų73.854%0.53739%0.393SS..Hα-helixtrans-67.6-33.7174.8-78.4-171-39.200113.6H29 S30 L31 T36H29-Q33 PolarHBondContact CE1-NE2 3.36Å; H29-Q33 VanDerWaalsContact CE1-NE2 3.32Å; H29-Q33 PolarHBondContact ND1-OE1 2.84Å; H29-Q33 WeakPolarHBondContact O-CB 3.35Å; H29-Q33 WeakPolarHBondContact O-CG 3.37Å; H29-Q33 PolarHBondContact O-N 3.39Å; S30-Q33 PolarHBondContact O-N 3.4Å; L31-Q33 VanDerWaalsContact C-N 3.32Å; L31-Q33 PolarHBondContact O-N 3.45Å; Q33-T36 PolarHBondContact O-OG1 2.96Å; Q33-T36 VanDerWaalsContact O-OG1 3.06Å
34N68.3Low71.5Confident131 Ų13173.4 Ų73.470%0.70139%0.386SS*.Hα-helixtrans-81.1-31.7178.6-166.433.5000111.9S30 L31 T36S30-N34 VanDerWaalsContact O-CB 3.29Å; S30-N34 WeakPolarHBondContact O-CB 3.33Å; S30-N34 PolarHBondContact O-N 3.45Å; L31-N34 PolarHBondContact O-N 2.95Å; N34-T36 VanDerWaalsContact C-N 3.33Å; N34-T36 PolarHBondContact O-N 3.24Å
35M64.4Low71.9Confident23 Ų2374.8 Ų74.811%0.11339%0.39CS..Hα-helixtrans-81-7.4-176.3-137.7977800113.9P12 F16 L31 N37 C38 F40P12-M35 HydrophobicContact CB-CE 3.8Å; P12-M35 HydrophobicContact CB-CG 4.49Å; P12-M35 HydrophobicContact CB-SD 3.33Å; P12-M35 WeakPolarHBondContact CB-SD 3.46Å; P12-M35 VanDerWaalsContact O-CE 3.27Å; P12-M35 WeakPolarHBondContact O-CE 3.32Å; F16-M35 HydrophobicContact CB-CE 4.22Å; L31-M35 VanDerWaalsContact O-CB 3.24Å; L31-M35 WeakPolarHBondContact O-CB 3.34Å; L31-M35 PolarHBondContact O-N 3.35Å; M35-N37 PolarHBondContact O-N 3.47Å; M35-C38 PolarHBondContact O-N 3.19Å; M35-C38 VanDerWaalsContact O-N 3.12Å; M35-F40 HydrophobicContact CB-CB 4.1Å; M35-F40 HydrophobicContact CB-CD2 4.29Å; M35-F40 HydrophobicContact CB-CG 4.05Å; M35-F40 HydrophobicContact CE-CD2 3.9Å; M35-F40 HydrophobicContact CE-CE2 3.8Å; M35-F40 HydrophobicContact CG-CB 3.73Å; M35-F40 HydrophobicContact CG-CD2 3.56Å; M35-F40 HydrophobicContact CG-CE2 4.38Å; M35-F40 HydrophobicContact CG-CG 3.72Å; M35-F40 HydrophobicContact SD-CD2 4.41Å
36T58.3Low72.1Confident102 Ų10272.6 Ų72.663%0.62638%0.378SS*.THydrogen-bonded Turntrans-61.7-10.4174.651.80000113.7L32 Q33 N34 F71L32-T36 WeakPolarHBondContact O-CG2 3.18Å; L32-T36 PolarHBondContact O-N 3.06Å; Q33-T36 PolarHBondContact O-OG1 2.96Å; Q33-T36 VanDerWaalsContact O-OG1 3.06Å; N34-T36 VanDerWaalsContact C-N 3.33Å; N34-T36 PolarHBondContact O-N 3.24Å; T36-F71 HydrophobicContact CG2-CE1 4.12Å
37N58.2Low72Confident149 Ų14969.3 Ų69.380%0.79737%0.374SS*.THydrogen-bonded Turntrans-88.5-6177.9-153.756.2000114M35M35-N37 PolarHBondContact O-N 3.47Å
38C53.8Low72Confident90 Ų9072.2 Ų72.261%0.60839%0.387SS*.SBendtrans-127155.2174.9-64.50000109.1M35 F40M35-C38 PolarHBondContact O-N 3.19Å; M35-C38 VanDerWaalsContact O-N 3.12Å; C38-F40 PolarHBondContact O-N 3.3Å
39E58.2Low72.2Confident208 Ų20872.2 Ų72.297%0.97239%0.387SS*.  trans-59.281171.6-88.3177.177.400111.1
40F68.8Low72.5Confident41 Ų4170.2 Ų70.218%0.1838%0.378CS..  trans-91.9113.2-179.3179.3-104.3000109.9Q13 F16 L32 M35 C38 V42Q13-F40 HydrophobicContact CG-CE2 4.34Å; F16-F40 HydrophobicContact CB-CE2 3.89Å; F16-F40 HydrophobicContact CB-CZ 3.87Å; F16-F40 HydrophobicContact CD1-CE1 4.47Å; F16-F40 HydrophobicContact CD1-CE2 4.18Å; F16-F40 AromaticContact CD1-CZ 3.48Å; F16-F40 HydrophobicContact CD1-CZ 3.48Å; F16-F40 VanDerWaalsContact CD1-CZ 3.48Å; F16-F40 HydrophobicContact CD2-CE1 4.22Å; F16-F40 HydrophobicContact CD2-CE2 4.38Å; F16-F40 AromaticContact CD2-CZ 3.58Å; F16-F40 HydrophobicContact CD2-CZ 3.58Å; F16-F40 HydrophobicContact CE1-CE1 4.28Å; F16-F40 AromaticContact CE1-CZ 3.67Å; F16-F40 HydrophobicContact CE1-CZ 3.67Å; F16-F40 HydrophobicContact CE2-CE1 4.08Å; F16-F40 AromaticContact CE2-CZ 3.82Å; F16-F40 HydrophobicContact CE2-CZ 3.82Å; F16-F40 HydrophobicContact CG-CE1 4.38Å; F16-F40 AromaticContact CG-CE2 3.93Å; F16-F40 HydrophobicContact CG-CE2 3.93Å; F16-F40 AromaticContact CG-CZ 3.36Å; F16-F40 HydrophobicContact CG-CZ 3.36Å; F16-F40 HydrophobicContact CZ-CE1 4.07Å; F16-F40 AromaticContact CZ-CZ 3.82Å; F16-F40 HydrophobicContact CZ-CZ 3.82Å; L32-F40 HydrophobicContact CD2-CD1 4.13Å; L32-F40 HydrophobicContact CD2-CE1 3.58Å; L32-F40 HydrophobicContact CD2-CZ 4.44Å; M35-F40 HydrophobicContact CB-CB 4.1Å; M35-F40 HydrophobicContact CB-CD2 4.29Å; M35-F40 HydrophobicContact CB-CG 4.05Å; M35-F40 HydrophobicContact CE-CD2 3.9Å; M35-F40 HydrophobicContact CE-CE2 3.8Å; M35-F40 HydrophobicContact CG-CB 3.73Å; M35-F40 HydrophobicContact CG-CD2 3.56Å; M35-F40 HydrophobicContact CG-CE2 4.38Å; M35-F40 HydrophobicContact CG-CG 3.72Å; M35-F40 HydrophobicContact SD-CD2 4.41Å; C38-F40 PolarHBondContact O-N 3.3Å; F40-V42 HydrophobicContact CD1-CG1 3.9Å; F40-V42 HydrophobicContact CE1-CB 4.4Å; F40-V42 HydrophobicContact CE1-CG1 3.53Å; F40-V42 PolarHBondContact O-N 3.36Å
41N76.8Confident72.8Confident78 Ų7866.7 Ų66.742%0.41735%0.353SS..  trans-91.8102.5177.1-173.36.3000111.5N43 S44N41-N43 PolarHBondContact O-N 3.34Å; N41-N43 WeakPolarHBondContact OD1-CB 3.3Å; N41-N43 PolarHBondContact OD1-N 3.3Å; N41-S44 WeakPolarHBondContact O-CB 3.44Å; N41-S44 PolarHBondContact O-N 2.76Å; N41-S44 PolarHBondContact O-OG 3.01Å
42V79Confident73.2Confident10 Ų1065.3 Ų65.36%0.06135%0.346CS..THydrogen-bonded Turntrans-60.9-20.5173.4-70.60000114L32 F40 S44 F71 A73L32-V42 HydrophobicContact CD2-CG1 4.3Å; F40-V42 HydrophobicContact CD1-CG1 3.9Å; F40-V42 HydrophobicContact CE1-CB 4.4Å; F40-V42 HydrophobicContact CE1-CG1 3.53Å; F40-V42 PolarHBondContact O-N 3.36Å; V42-S44 VanDerWaalsContact C-N 3.32Å; V42-F71 HydrophobicContact CG1-CB 4.05Å; V42-A73 HydrophobicContact CG2-CB 4.33Å
43N82.4Confident74Confident35 Ų3565.3 Ų65.319%0.18735%0.346CS..THydrogen-bonded Turntrans-94.312.8-178.3-60.4-44.5000112.9N41 G72 A73 D74N41-N43 PolarHBondContact O-N 3.34Å; N41-N43 WeakPolarHBondContact OD1-CB 3.3Å; N41-N43 PolarHBondContact OD1-N 3.3Å; N43-G72 PolarHBondContact ND2-O 3.39Å; N43-A73 VanDerWaalsContact OD1-CA 3.28Å; N43-A73 WeakPolarHBondContact OD1-CA 3.37Å; N43-D74 PolarHBondContact OD1-N 3.26Å
44S81.9Confident74.7Confident19 Ų1959.8 Ų59.813%0.13332%0.32CS..  trans-64.2139.1175.646.10000111.4N41 V42N41-S44 WeakPolarHBondContact O-CB 3.44Å; N41-S44 PolarHBondContact O-N 2.76Å; N41-S44 PolarHBondContact O-OG 3.01Å; V42-S44 VanDerWaalsContact C-N 3.32Å
45F80.9Confident75.6Confident94 Ų9454.9 Ų54.941%0.41229%0.293SS..BIsolated β-bridgetrans-83.7128.7174.3-66.8-82.9000109.7G49 T51 L77 A78F45-G49 WeakPolarHBondContact CD1-O 3.44Å; F45-T51 HydrophobicContact CD1-CG2 3.83Å; F45-T51 HydrophobicContact CE1-CG2 3.97Å; F45-T51 HydrophobicContact CG-CG2 4.34Å; F45-L77 HydrophobicContact CD1-CD2 4.5Å; F45-L77 HydrophobicContact CE1-CD2 3.6Å; F45-L77 HydrophobicContact CE2-CD2 4.01Å; F45-L77 HydrophobicContact CZ-CD2 3.31Å; F45-L77 HydrophobicContact CZ-CG 4Å; F45-A78 WeakPolarHBondContact CE1-O 3.25Å
46G77Confident76.7Confident9 Ų953.8 Ų53.89%0.09329%0.288CS..  trans-71177.9168.800000112.7E48 G49 Q50G46-E48 PolarHBondContact O-N 2.97Å; G46-G49 PolarHBondContact O-N 3.38Å; G46-Q50 PolarHBondContact N-O 3.08Å
47P72.6Confident78.3Confident98 Ų9849 Ų4964%0.63626%0.258SS*.THydrogen-bonded Turntrans-59.1-31-179.123.5-33.5000113.3G49P47-G49 PolarHBondContact O-N 3.11Å
48E74Confident79.7Confident131 Ų13145.3 Ų45.361%0.61224%0.238SC*.THydrogen-bonded Turntrans-79.43.8177.1-55.8-56.1145.500113.3G46 Q50G46-E48 PolarHBondContact O-N 2.97Å; E48-Q50 HydrophobicContact CB-CG 4.47Å; E48-Q50 PolarHBondContact O-N 3.31Å
49G80.8Confident81.2Confident0 Ų044.5 Ų44.50%023%0.227CC..SBendtrans71.119.1-176.700000114.5F45 G46 P47 N79 R80F45-G49 WeakPolarHBondContact CD1-O 3.44Å; G46-G49 PolarHBondContact O-N 3.38Å; P47-G49 PolarHBondContact O-N 3.11Å; G49-N79 WeakPolarHBondContact O-CA 3.33Å; G49-N79 WeakPolarHBondContact O-CB 3.32Å; G49-R80 VanDerWaalsContact CA-CD 3.48Å; G49-R80 PolarHBondContact O-N 3.44Å
50Q82.4Confident82.7Confident37 Ų3735.9 Ų35.917%0.17320%0.195CC..  trans-112.2145.1177.7-65.7-178.2-1100109.5G46 E48 H54 N79G46-Q50 PolarHBondContact N-O 3.08Å; E48-Q50 HydrophobicContact CB-CG 4.47Å; E48-Q50 PolarHBondContact O-N 3.31Å; Q50-H54 HydrophobicContact CB-CB 4.05Å; Q50-H54 HydrophobicContact CG-CB 4.47Å; Q50-N79 HydrophobicContact CG-CB 4.4Å
51T87.1Confident83.6Confident0 Ų035.9 Ų35.90%020%0.197CC..BIsolated β-bridgetrans-87.6167170.568.90000111F45 L53 H54 Q55 L77F45-T51 HydrophobicContact CD1-CG2 3.83Å; F45-T51 HydrophobicContact CE1-CG2 3.97Å; F45-T51 HydrophobicContact CG-CG2 4.34Å; T51-L53 PolarHBondContact O-N 3.46Å; T51-L53 PolarHBondContact OG1-N 3.38Å; T51-H54 PolarHBondContact N-ND1 3.03Å; T51-H54 WeakPolarHBondContact O-CB 3.28Å; T51-H54 PolarHBondContact O-N 3.4Å; T51-H54 PolarHBondContact OG1-ND1 3.06Å; T51-Q55 PolarHBondContact O-N 3.32Å; T51-Q55 VanDerWaalsContact O-N 3.13Å; T51-L77 HydrophobicContact CG2-CD2 3.29Å
52A85.6Confident84.2Confident0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-50.3-37.117000000113.3F16 V20 Q55 S56 L68F16-A52 HydrophobicContact CD1-CB 4.41Å; F16-A52 HydrophobicContact CE1-CB 3.41Å; F16-A52 VanDerWaalsContact CE1-CB 3.41Å; F16-A52 HydrophobicContact CZ-CB 3.89Å; V20-A52 HydrophobicContact CG1-CB 4.34Å; V20-A52 HydrophobicContact CG2-CB 3.72Å; A52-Q55 PolarHBondContact O-N 2.96Å; A52-S56 WeakPolarHBondContact O-CB 3.28Å; A52-S56 PolarHBondContact O-N 3.18Å; A52-L68 VanDerWaalsContact C-CD1 3.41Å; A52-L68 HydrophobicContact CB-CD1 3.87Å; A52-L68 HydrophobicContact CB-CD2 4.02Å; A52-L68 WeakPolarHBondContact O-CD1 3.16Å
53L88.8Confident84.6Confident1 Ų138.9 Ų38.91%0.00521%0.208CC..Hα-helixtrans-64.9-43.9177.4-171.470.3000111.1T51 Q55 S56 V57 V65 L68 V69 I75 A85T51-L53 PolarHBondContact O-N 3.46Å; T51-L53 PolarHBondContact OG1-N 3.38Å; L53-Q55 PolarHBondContact O-N 3.45Å; L53-S56 PolarHBondContact O-N 2.87Å; L53-S56 PolarHBondContact O-OG 3.22Å; L53-V57 VanDerWaalsContact O-CG2 3.29Å; L53-V57 WeakPolarHBondContact O-CG2 3.34Å; L53-V57 PolarHBondContact O-N 3.4Å; L53-V57 VanDerWaalsContact O-N 3.13Å; L53-V65 HydrophobicContact CD1-CG1 4.08Å; L53-L68 HydrophobicContact CB-CD1 4.32Å; L53-L68 HydrophobicContact CD1-CB 4.17Å; L53-L68 HydrophobicContact CD1-CD1 4.3Å; L53-V69 HydrophobicContact CD1-CG2 4.03Å; L53-I75 HydrophobicContact CD2-CB 4.27Å; L53-I75 HydrophobicContact CD2-CG2 3.93Å; L53-A85 HydrophobicContact CD2-CB 3.79Å; L53-A85 HydrophobicContact CG-CB 4.08Å
54H89.1Confident84.8Confident0 Ų037.3 Ų37.30%020%0.2CC..Hα-helixtrans-60-48.2176.9-64.193.8000111.2Q50 T51 S56 V57 I58 L77 N79 W83 I88Q50-H54 HydrophobicContact CB-CB 4.05Å; Q50-H54 HydrophobicContact CG-CB 4.47Å; T51-H54 PolarHBondContact N-ND1 3.03Å; T51-H54 WeakPolarHBondContact O-CB 3.28Å; T51-H54 PolarHBondContact O-N 3.4Å; T51-H54 PolarHBondContact OG1-ND1 3.06Å; H54-S56 VanDerWaalsContact C-N 3.33Å; H54-S56 PolarHBondContact O-N 3.45Å; H54-V57 PolarHBondContact O-N 2.99Å; H54-V57 VanDerWaalsContact O-N 3.14Å; H54-I58 WeakPolarHBondContact O-CG1 3.29Å; H54-I58 PolarHBondContact O-N 3.46Å; H54-L77 PolarHBondContact CE1-O 3.06Å; H54-L77 VanDerWaalsContact CE1-O 3.32Å; H54-L77 PolarHBondContact NE2-O 2.96Å; H54-N79 PolarHBondContact NE2-N 3.18Å; H54-W83 PolarHBondContact NE2-O 3.17Å; H54-W83 VanDerWaalsContact NE2-O 3.13Å; H54-I88 HydrophobicContact CB-CD1 3.88Å
55Q87.4Confident85.1Confident28 Ų2836.4 Ų36.413%0.13119%0.193CC..Hα-helixtrans-59.2-44.1177.8-172.367.155.700111.8V20 T51 A52 L53 V57 I58 D59V20-Q55 HydrophobicContact CG1-CB 3.8Å; V20-Q55 HydrophobicContact CG1-CG 3.85Å; T51-Q55 PolarHBondContact O-N 3.32Å; T51-Q55 VanDerWaalsContact O-N 3.13Å; A52-Q55 PolarHBondContact O-N 2.96Å; L53-Q55 PolarHBondContact O-N 3.45Å; Q55-V57 PolarHBondContact O-N 3.19Å; Q55-I58 WeakPolarHBondContact O-CB 3.37Å; Q55-I58 PolarHBondContact O-N 3.11Å; Q55-I58 VanDerWaalsContact O-N 3.13Å; Q55-D59 PolarHBondContact NE2-OD1 3.3Å; Q55-D59 PolarHBondContact O-N 3.39Å
56S87.8Confident85.5Confident0 Ų035.2 Ų35.20%019%0.188CC..Hα-helixtrans-59.6-32.5178.675.90000113.7A52 L53 H54 G60 N61 V65A52-S56 WeakPolarHBondContact O-CB 3.28Å; A52-S56 PolarHBondContact O-N 3.18Å; L53-S56 PolarHBondContact O-N 2.87Å; L53-S56 PolarHBondContact O-OG 3.22Å; H54-S56 VanDerWaalsContact C-N 3.33Å; H54-S56 PolarHBondContact O-N 3.45Å; S56-G60 PolarHBondContact O-N 2.83Å; S56-N61 PolarHBondContact O-N 3.13Å; S56-V65 WeakPolarHBondContact OG-CG2 3.48Å
57V90.8Very high85.9Confident0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-78.7-40.1177175.50000111L53 H54 Q55 D59 G60 V65 A85 I88 A89 H94 I97 L101L53-V57 VanDerWaalsContact O-CG2 3.29Å; L53-V57 WeakPolarHBondContact O-CG2 3.34Å; L53-V57 PolarHBondContact O-N 3.4Å; L53-V57 VanDerWaalsContact O-N 3.13Å; H54-V57 PolarHBondContact O-N 2.99Å; H54-V57 VanDerWaalsContact O-N 3.14Å; Q55-V57 PolarHBondContact O-N 3.19Å; V57-D59 PolarHBondContact O-N 3.01Å; V57-G60 PolarHBondContact O-N 3.33Å; V57-V65 HydrophobicContact CG2-CG2 3.83Å; V57-A85 WeakPolarHBondContact CG1-O 3.39Å; V57-A85 HydrophobicContact CG2-CB 4.16Å; V57-I88 HydrophobicContact CB-CG2 4.36Å; V57-I88 HydrophobicContact CG1-CB 3.92Å; V57-I88 HydrophobicContact CG1-CG2 3.78Å; V57-A89 VanDerWaalsContact CG1-CA 3.44Å; V57-A89 HydrophobicContact CG1-CB 3.5Å; V57-A89 VanDerWaalsContact CG1-CB 3.5Å; V57-A89 VanDerWaalsContact CG1-N 3.3Å; V57-H94 PolarHBondContact O-CD2 3.1Å; V57-H94 PolarHBondContact O-NE2 3.32Å; V57-I97 HydrophobicContact CG1-CG2 4.17Å; V57-I97 HydrophobicContact CG2-CG2 3.88Å; V57-L101 HydrophobicContact CG2-CD1 4.45Å
58I88.4Confident86.6Confident72 Ų7231.6 Ų31.637%0.36916%0.161SC..Hα-helixtrans-58.1-42.2174-66.7168.9000110.2H54 Q55 G60 I88H54-I58 WeakPolarHBondContact O-CG1 3.29Å; H54-I58 PolarHBondContact O-N 3.46Å; Q55-I58 WeakPolarHBondContact O-CB 3.37Å; Q55-I58 PolarHBondContact O-N 3.11Å; Q55-I58 VanDerWaalsContact O-N 3.13Å; I58-G60 PolarHBondContact O-N 3.3Å; I58-I88 HydrophobicContact CB-CG2 4.46Å; I58-I88 HydrophobicContact CD1-CD1 4.38Å; I58-I88 HydrophobicContact CG1-CD1 4.22Å; I58-I88 HydrophobicContact CG1-CG2 3.53Å
59D86.3Confident87.2Confident73 Ų7326.4 Ų26.439%0.3914%0.139SC..THydrogen-bonded Turntrans-74.4-8.4179.4-64.5-7.3000112.8Q55 V57 N61Q55-D59 PolarHBondContact NE2-OD1 3.3Å; Q55-D59 PolarHBondContact O-N 3.39Å; V57-D59 PolarHBondContact O-N 3.01Å; D59-N61 HydrophobicContact CB-CB 4.46Å; D59-N61 PolarHBondContact O-N 3.41Å
60G88.3Confident87.4Confident28 Ų2834.9 Ų34.929%0.28918%0.175SC..THydrogen-bonded Turntrans67.719.3-176.100000114S56 V57 I58 L62S56-G60 PolarHBondContact O-N 2.83Å; V57-G60 PolarHBondContact O-N 3.33Å; I58-G60 PolarHBondContact O-N 3.3Å; G60-L62 PolarHBondContact O-N 3.22Å
61N87.8Confident87.3Confident41 Ų4136.4 Ų36.422%0.21918%0.182CC..  trans-90.989.9-173.7-167.4-21.2000112.1S56 D59 E63 L64 V65S56-N61 PolarHBondContact O-N 3.13Å; D59-N61 HydrophobicContact CB-CB 4.46Å; D59-N61 PolarHBondContact O-N 3.41Å; N61-E63 VanDerWaalsContact C-N 3.3Å; N61-E63 PolarHBondContact O-N 2.94Å; N61-E63 PolarHBondContact OD1-N 3.13Å; N61-L64 HydrophobicContact CB-CB 3.99Å; N61-L64 PolarHBondContact O-N 3.05Å; N61-L64 PolarHBondContact OD1-N 3.14Å; N61-V65 WeakPolarHBondContact O-CG2 3.42Å; N61-V65 PolarHBondContact O-N 3.32Å
62L89.1Confident87Confident39 Ų3938.7 Ų38.720%0.20421%0.205CC..Hα-helixtrans-57.3-38.4-179.4178.865000113.7G60 L64 V65 K66 D96 I97 Y100G60-L62 PolarHBondContact O-N 3.22Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.21Å; L62-V65 PolarHBondContact O-N 2.99Å; L62-K66 HydrophobicContact CD1-CG 4.44Å; L62-K66 HydrophobicContact CG-CD 4.29Å; L62-K66 WeakPolarHBondContact O-CG 3.49Å; L62-K66 PolarHBondContact O-N 3.26Å; L62-D96 HydrophobicContact CD2-CB 4.02Å; L62-I97 HydrophobicContact CB-CG1 4.17Å; L62-I97 HydrophobicContact CD1-CG1 4.01Å; L62-Y100 HydrophobicContact CD1-CG 4.33Å
63E88.9Confident87Confident112 Ų11239.1 Ų39.152%0.52321%0.209SC..Hα-helixtrans-66.9-37.4-178.7-67.2-56.2115.500111.3N61 K66 L67N61-E63 VanDerWaalsContact C-N 3.3Å; N61-E63 PolarHBondContact O-N 2.94Å; N61-E63 PolarHBondContact OD1-N 3.13Å; E63-K66 PolarHBondContact O-N 3.02Å; E63-K66 IonicContact OE1-NZ 2.76Å; E63-K66 PolarHBondContact OE1-NZ 2.65Å; E63-L67 WeakPolarHBondContact O-CB 3.34Å; E63-L67 PolarHBondContact O-N 3.42Å
64L85.6Confident86.9Confident1 Ų142.3 Ų42.31%0.00523%0.226CC..Hα-helixtrans-68.5-42.4175.7-153.1153.8000111V20 T25 L28 N61 L62 K66 L67 L68V20-L64 HydrophobicContact CG1-CD2 4.08Å; T25-L64 HydrophobicContact CG2-CB 4.41Å; T25-L64 HydrophobicContact CG2-CD1 4.19Å; L28-L64 HydrophobicContact CD1-CD1 3.33Å; L28-L64 HydrophobicContact CD1-CD2 3.79Å; L28-L64 HydrophobicContact CD1-CG 3.53Å; N61-L64 HydrophobicContact CB-CB 3.99Å; N61-L64 PolarHBondContact O-N 3.05Å; N61-L64 PolarHBondContact OD1-N 3.14Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.21Å; L64-K66 PolarHBondContact O-N 3.39Å; L64-L67 PolarHBondContact O-N 3.13Å; L64-L68 HydrophobicContact CD2-CD1 3.53Å; L64-L68 HydrophobicContact CD2-CG 3.97Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 3.39Å
65V89.1Confident86.8Confident0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-56.1-49.9172.7172.70000111.1L53 S56 V57 N61 L62 L67 L68 V69 I97 Y100 L101L53-V65 HydrophobicContact CD1-CG1 4.08Å; S56-V65 WeakPolarHBondContact OG-CG2 3.48Å; V57-V65 HydrophobicContact CG2-CG2 3.83Å; N61-V65 WeakPolarHBondContact O-CG2 3.42Å; N61-V65 PolarHBondContact O-N 3.32Å; L62-V65 PolarHBondContact O-N 2.99Å; V65-L67 VanDerWaalsContact C-N 3.31Å; V65-L67 PolarHBondContact O-N 3.41Å; V65-L68 PolarHBondContact O-N 3.32Å; V65-V69 HydrophobicContact CG1-CG2 4.46Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 2.79Å; V65-I97 HydrophobicContact CG1-CG2 4.4Å; V65-I97 HydrophobicContact CG2-CD1 4.2Å; V65-I97 HydrophobicContact CG2-CG1 4.5Å; V65-I97 HydrophobicContact CG2-CG2 4.12Å; V65-Y100 HydrophobicContact CG1-CD1 3.92Å; V65-Y100 HydrophobicContact CG1-CE1 4.19Å; V65-L101 HydrophobicContact CG1-CD2 4.2Å
66K88.5Confident86.6Confident70 Ų7052.1 Ų52.130%0.30426%0.263SS..Hα-helixtrans-59.5-42.4178.8-73.8170.6-177.2164.40111.9L62 E63 L64 K70 Y100L62-K66 HydrophobicContact CD1-CG 4.44Å; L62-K66 HydrophobicContact CG-CD 4.29Å; L62-K66 WeakPolarHBondContact O-CG 3.49Å; L62-K66 PolarHBondContact O-N 3.26Å; E63-K66 PolarHBondContact O-N 3.02Å; E63-K66 IonicContact OE1-NZ 2.76Å; E63-K66 PolarHBondContact OE1-NZ 2.65Å; L64-K66 PolarHBondContact O-N 3.39Å; K66-K70 WeakPolarHBondContact O-CB 3.32Å; K66-K70 PolarHBondContact O-N 2.98Å; K66-Y100 HydrophobicContact CG-CD1 4.43Å; K66-Y100 HydrophobicContact CG-CD2 4.12Å; K66-Y100 HydrophobicContact CG-CE1 4.03Å; K66-Y100 HydrophobicContact CG-CE2 3.68Å; K66-Y100 HydrophobicContact CG-CG 4.48Å
67L86.1Confident86.5Confident28 Ų2854 Ų5415%0.14727%0.273CS..Hα-helixtrans-61.8-52.5178.9-167.869.7000110.2L28 H29 L32 E63 L64 V65 V69 K70 F71L28-L67 HydrophobicContact CB-CD2 4.41Å; H29-L67 HydrophobicContact CB-CD2 4.39Å; L32-L67 HydrophobicContact CD1-CD2 3.66Å; L32-L67 HydrophobicContact CD1-CG 3.82Å; E63-L67 WeakPolarHBondContact O-CB 3.34Å; E63-L67 PolarHBondContact O-N 3.42Å; L64-L67 PolarHBondContact O-N 3.13Å; V65-L67 VanDerWaalsContact C-N 3.31Å; V65-L67 PolarHBondContact O-N 3.41Å; L67-V69 PolarHBondContact O-N 3.17Å; L67-K70 WeakPolarHBondContact O-CB 3.41Å; L67-K70 PolarHBondContact O-N 2.99Å; L67-K70 VanDerWaalsContact O-N 3.1Å; L67-F71 HydrophobicContact CD1-CD2 4.23Å; L67-F71 HydrophobicContact CD1-CE2 3.8Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 4.14Å; L67-F71 VanDerWaalsContact O-CD2 3.29Å; L67-F71 WeakPolarHBondContact O-CD2 3.5Å; L67-F71 PolarHBondContact O-N 3.31Å; L67-F71 VanDerWaalsContact O-N 3.08Å
68L86Confident86.3Confident2 Ų256.1 Ų56.11%0.0129%0.291CS..Hα-helixtrans-58.4-45.7179.6-67.4176.4000112.4F16 A52 L53 L64 V65 K70 F71 G72 A73F16-L68 HydrophobicContact CE1-CD2 4.44Å; F16-L68 HydrophobicContact CE2-CD2 4.28Å; F16-L68 HydrophobicContact CZ-CD2 3.51Å; A52-L68 VanDerWaalsContact C-CD1 3.41Å; A52-L68 HydrophobicContact CB-CD1 3.87Å; A52-L68 HydrophobicContact CB-CD2 4.02Å; A52-L68 WeakPolarHBondContact O-CD1 3.16Å; L53-L68 HydrophobicContact CB-CD1 4.32Å; L53-L68 HydrophobicContact CD1-CB 4.17Å; L53-L68 HydrophobicContact CD1-CD1 4.3Å; L64-L68 HydrophobicContact CD2-CD1 3.53Å; L64-L68 HydrophobicContact CD2-CG 3.97Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 3.39Å; V65-L68 PolarHBondContact O-N 3.32Å; L68-K70 VanDerWaalsContact C-N 3.3Å; L68-K70 PolarHBondContact O-N 3.14Å; L68-F71 CarbonylContact O-C 3.49Å; L68-F71 PolarHBondContact O-N 2.97Å; L68-F71 VanDerWaalsContact O-N 3.11Å; L68-G72 PolarHBondContact O-N 3.48Å; L68-A73 VanDerWaalsContact C-CB 3.44Å; L68-A73 HydrophobicContact CB-CB 3.88Å; L68-A73 WeakPolarHBondContact O-CB 3.42Å; L68-A73 PolarHBondContact O-N 2.98Å
69V87.3Confident86.1Confident23 Ų2353.2 Ų53.214%0.13928%0.276CS..Hα-helixtrans-63.5-36.7177.3173.70000111.6L53 V65 L67 F71 G72 I75 Y100 K104L53-V69 HydrophobicContact CD1-CG2 4.03Å; V65-V69 HydrophobicContact CG1-CG2 4.46Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 2.79Å; L67-V69 PolarHBondContact O-N 3.17Å; V69-F71 VanDerWaalsContact C-N 3.26Å; V69-F71 PolarHBondContact O-N 3.44Å; V69-G72 PolarHBondContact O-N 3.17Å; V69-G72 VanDerWaalsContact O-N 3.13Å; V69-I75 HydrophobicContact CG2-CG2 3.61Å; V69-Y100 HydrophobicContact CB-CE1 4.13Å; V69-Y100 HydrophobicContact CG1-CE1 4.26Å; V69-Y100 HydrophobicContact CG2-CE1 4.11Å; V69-K104 HydrophobicContact CG1-CD 4.23Å; V69-K104 HydrophobicContact CG1-CG 4.15Å
70K84.7Confident86Confident177 Ų17758.4 Ų58.477%0.7729%0.29SS*.Hα-helixtrans-63.8-32.2174.8-174.1179.6178.8-177.10112.3K66 L67 L68 G72K66-K70 WeakPolarHBondContact O-CB 3.32Å; K66-K70 PolarHBondContact O-N 2.98Å; L67-K70 WeakPolarHBondContact O-CB 3.41Å; L67-K70 PolarHBondContact O-N 2.99Å; L67-K70 VanDerWaalsContact O-N 3.1Å; L68-K70 VanDerWaalsContact C-N 3.3Å; L68-K70 PolarHBondContact O-N 3.14Å; K70-G72 VanDerWaalsContact C-N 3.28Å
71F79.9Confident85.8Confident70 Ų7064.1 Ų64.131%0.30731%0.309SS..THydrogen-bonded Turntrans-87.211.8175.6-79.3-84.4000113.8L32 T36 V42 L67 L68 V69L32-F71 HydrophobicContact CB-CD1 4.37Å; L32-F71 HydrophobicContact CB-CD2 4.22Å; L32-F71 HydrophobicContact CB-CE1 3.98Å; L32-F71 HydrophobicContact CB-CE2 3.83Å; L32-F71 HydrophobicContact CB-CG 4.48Å; L32-F71 HydrophobicContact CB-CZ 3.71Å; L32-F71 HydrophobicContact CD1-CD2 3.72Å; L32-F71 HydrophobicContact CD1-CE2 3.91Å; L32-F71 HydrophobicContact CD1-CG 4.29Å; L32-F71 HydrophobicContact CD2-CB 4.46Å; L32-F71 HydrophobicContact CD2-CD1 4.39Å; L32-F71 HydrophobicContact CD2-CD2 4.43Å; L32-F71 HydrophobicContact CD2-CG 4.19Å; L32-F71 HydrophobicContact CG-CD2 4.35Å; L32-F71 HydrophobicContact CG-CE2 4.4Å; T36-F71 HydrophobicContact CG2-CE1 4.12Å; V42-F71 HydrophobicContact CG1-CB 4.05Å; L67-F71 HydrophobicContact CD1-CD2 4.23Å; L67-F71 HydrophobicContact CD1-CE2 3.8Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 4.14Å; L67-F71 VanDerWaalsContact O-CD2 3.29Å; L67-F71 WeakPolarHBondContact O-CD2 3.5Å; L67-F71 PolarHBondContact O-N 3.31Å; L67-F71 VanDerWaalsContact O-N 3.08Å; L68-F71 CarbonylContact O-C 3.49Å; L68-F71 PolarHBondContact O-N 2.97Å; L68-F71 VanDerWaalsContact O-N 3.11Å; V69-F71 VanDerWaalsContact C-N 3.26Å; V69-F71 PolarHBondContact O-N 3.44Å
72G82.1Confident85.8Confident48 Ų4864.4 Ų64.450%0.49532%0.322SS..THydrogen-bonded Turntrans90.821173.600000114.9N43 L68 V69 K70 D74N43-G72 PolarHBondContact ND2-O 3.39Å; L68-G72 PolarHBondContact O-N 3.48Å; V69-G72 PolarHBondContact O-N 3.17Å; V69-G72 VanDerWaalsContact O-N 3.13Å; K70-G72 VanDerWaalsContact C-N 3.28Å; G72-D74 PolarHBondContact O-N 3.24Å
73A85.7Confident85.7Confident9 Ų967.5 Ų67.57%0.07433%0.331CS..  trans-63.7130172.800000110.9V42 N43 L68 I75V42-A73 HydrophobicContact CG2-CB 4.33Å; N43-A73 VanDerWaalsContact OD1-CA 3.28Å; N43-A73 WeakPolarHBondContact OD1-CA 3.37Å; L68-A73 VanDerWaalsContact C-CB 3.44Å; L68-A73 HydrophobicContact CB-CB 3.88Å; L68-A73 WeakPolarHBondContact O-CB 3.42Å; L68-A73 PolarHBondContact O-N 2.98Å; A73-I75 PolarHBondContact O-N 3.5Å
74D85.9Confident85.8Confident68 Ų6863.1 Ų63.136%0.36431%0.312SS..  trans-80.8110.1178.3-171.1-11.2000109.9N43 G72 R76 L77N43-D74 PolarHBondContact OD1-N 3.26Å; G72-D74 PolarHBondContact O-N 3.24Å; D74-R76 PolarHBondContact O-N 2.81Å; D74-R76 WeakPolarHBondContact OD1-CB 3.45Å; D74-R76 PolarHBondContact OD1-N 2.83Å; D74-L77 HydrophobicContact CB-CB 4.23Å; D74-L77 WeakPolarHBondContact O-CB 3.4Å; D74-L77 PolarHBondContact O-N 3.28Å
75I86.5Confident85.9Confident27 Ų2763 Ų6314%0.13831%0.312CS..THydrogen-bonded Turntrans-71.4-15.2179.164.5175.1000113.6L53 V69 A73 L101 K104 A105L53-I75 HydrophobicContact CD2-CB 4.27Å; L53-I75 HydrophobicContact CD2-CG2 3.93Å; V69-I75 HydrophobicContact CG2-CG2 3.61Å; A73-I75 PolarHBondContact O-N 3.5Å; I75-L101 HydrophobicContact CB-CD2 4.02Å; I75-L101 HydrophobicContact CG2-CD2 3.62Å; I75-K104 HydrophobicContact CD1-CB 4.05Å; I75-A105 HydrophobicContact CD1-CB 3.76Å
76R83.5Confident86Confident206 Ų20666.1 Ų66.178%0.77733%0.328SS*.THydrogen-bonded Turntrans-92.6-11.8-179-58.1179.563.5-164.4-2.7112.6D74 A78D74-R76 PolarHBondContact O-N 2.81Å; D74-R76 WeakPolarHBondContact OD1-CB 3.45Å; D74-R76 PolarHBondContact OD1-N 2.83Å; R76-A78 PolarHBondContact O-N 3.41Å
77L85.3Confident86.1Confident41 Ų4167.8 Ų67.822%0.21534%0.337CS..  trans-63.8129.5-179.4-157.4109.2000109.5F45 T51 H54 D74F45-L77 HydrophobicContact CD1-CD2 4.5Å; F45-L77 HydrophobicContact CE1-CD2 3.6Å; F45-L77 HydrophobicContact CE2-CD2 4.01Å; F45-L77 HydrophobicContact CZ-CD2 3.31Å; F45-L77 HydrophobicContact CZ-CG 4Å; T51-L77 HydrophobicContact CG2-CD2 3.29Å; H54-L77 PolarHBondContact CE1-O 3.06Å; H54-L77 VanDerWaalsContact CE1-O 3.32Å; H54-L77 PolarHBondContact NE2-O 2.96Å; D74-L77 HydrophobicContact CB-CB 4.23Å; D74-L77 WeakPolarHBondContact O-CB 3.4Å; D74-L77 PolarHBondContact O-N 3.28Å
78A86.8Confident86.3Confident44 Ų4467.2 Ų67.236%0.36433%0.334SS..BIsolated β-bridgetrans-91.5142.6174.900000110.2F45 R76 W83F45-A78 WeakPolarHBondContact CE1-O 3.25Å; R76-A78 PolarHBondContact O-N 3.41Å; A78-W83 CarbonylContact C-O 3.59Å; A78-W83 WeakPolarHBondContact CA-O 3.46Å
79N85.3Confident86.5Confident11 Ų1167.1 Ų67.16%0.05933%0.333CS..  trans-67.8177.5168.577.4-1.9000111.1G49 Q50 H54 E81 G82 W83G49-N79 WeakPolarHBondContact O-CA 3.33Å; G49-N79 WeakPolarHBondContact O-CB 3.32Å; Q50-N79 HydrophobicContact CG-CB 4.4Å; H54-N79 PolarHBondContact NE2-N 3.18Å; N79-E81 PolarHBondContact O-N 3.39Å; N79-E81 VanDerWaalsContact O-N 3.1Å; N79-E81 WeakPolarHBondContact OD1-CA 3.29Å; N79-E81 WeakPolarHBondContact OD1-CB 3.24Å; N79-E81 PolarHBondContact OD1-N 2.79Å; N79-G82 PolarHBondContact O-N 3.15Å; N79-G82 PolarHBondContact OD1-N 2.67Å; N79-G82 VanDerWaalsContact OD1-N 3.14Å; N79-W83 PolarHBondContact N-O 2.93Å; N79-W83 WeakPolarHBondContact OD1-CA 3.46Å; N79-W83 WeakPolarHBondContact OD1-CB 3.4Å; N79-W83 PolarHBondContact OD1-N 2.8Å; N79-W83 PolarHBondContact OD1-O 3.12Å
80R84Confident86.7Confident182 Ų18269.2 Ų69.269%0.68735%0.353SS*.THydrogen-bonded Turntrans-58.1-23178-79.2-172.4-173.1-173.3-1.9114.8G49 G82G49-R80 VanDerWaalsContact CA-CD 3.48Å; G49-R80 PolarHBondContact O-N 3.44Å; R80-G82 VanDerWaalsContact C-N 3.31Å
81E84.3Confident87Confident147 Ų14768.8 Ų68.869%0.68735%0.351SS*.THydrogen-bonded Turntrans-88.51177.8-59.2-175.197.300112.6N79 W83N79-E81 PolarHBondContact O-N 3.39Å; N79-E81 VanDerWaalsContact O-N 3.1Å; N79-E81 WeakPolarHBondContact OD1-CA 3.29Å; N79-E81 WeakPolarHBondContact OD1-CB 3.24Å; N79-E81 PolarHBondContact OD1-N 2.79Å; E81-W83 VanDerWaalsContact C-N 3.33Å
82G86.4Confident87.4Confident47 Ų4767.3 Ų67.349%0.48536%0.356SS..SBendtrans81.410.9-17700000113.9N79 R80N79-G82 PolarHBondContact O-N 3.15Å; N79-G82 PolarHBondContact OD1-N 2.67Å; N79-G82 VanDerWaalsContact OD1-N 3.14Å; R80-G82 VanDerWaalsContact C-N 3.31Å
83W88.2Confident87.8Confident104 Ų10467.5 Ų67.539%0.39436%0.358SS..  trans-91.8128.1-179.6-70.336.6000110.1H54 A78 N79 E81 H87 I88 F91H54-W83 PolarHBondContact NE2-O 3.17Å; H54-W83 VanDerWaalsContact NE2-O 3.13Å; A78-W83 CarbonylContact C-O 3.59Å; A78-W83 WeakPolarHBondContact CA-O 3.46Å; N79-W83 PolarHBondContact N-O 2.93Å; N79-W83 WeakPolarHBondContact OD1-CA 3.46Å; N79-W83 WeakPolarHBondContact OD1-CB 3.4Å; N79-W83 PolarHBondContact OD1-N 2.8Å; N79-W83 PolarHBondContact OD1-O 3.12Å; E81-W83 VanDerWaalsContact C-N 3.33Å; W83-H87 HydrophobicContact CB-CB 4.23Å; W83-H87 HydrophobicContact CD2-CB 4.46Å; W83-H87 HydrophobicContact CE3-CB 4.33Å; W83-H87 HydrophobicContact CG-CB 4.44Å; W83-I88 HydrophobicContact CB-CG1 4.38Å; W83-I88 HydrophobicContact CE3-CG1 4.11Å; W83-F91 HydrophobicContact CH2-CD2 4.24Å; W83-F91 HydrophobicContact CH2-CG 4.39Å; W83-F91 HydrophobicContact CZ3-CB 4.13Å; W83-F91 HydrophobicContact CZ3-CD1 4.42Å; W83-F91 HydrophobicContact CZ3-CD2 4.35Å; W83-F91 HydrophobicContact CZ3-CG 4.05Å
84S89.8Confident88.1Confident20 Ų2069.8 Ų69.814%0.1437%0.367CS..BIsolated β-bridgetrans-83.1165.1171.367.10000110.5L86 H87 I88S84-L86 PolarHBondContact O-N 3.14Å; S84-L86 VanDerWaalsContact O-N 3.12Å; S84-L86 PolarHBondContact OG-N 3.29Å; S84-H87 PolarHBondContact N-ND1 3.1Å; S84-H87 WeakPolarHBondContact O-CB 3.5Å; S84-H87 PolarHBondContact O-N 2.82Å; S84-H87 PolarHBondContact OG-N 2.96Å; S84-H87 PolarHBondContact OG-ND1 2.93Å; S84-I88 PolarHBondContact O-N 2.93Å
85A88.8Confident88.3Confident0 Ų074.2 Ų74.20%039%0.385CS..Hα-helixtrans-50-35.7169.500000112.6L53 V57 A89 L101L53-A85 HydrophobicContact CD2-CB 3.79Å; L53-A85 HydrophobicContact CG-CB 4.08Å; V57-A85 WeakPolarHBondContact CG1-O 3.39Å; V57-A85 HydrophobicContact CG2-CB 4.16Å; A85-A89 WeakPolarHBondContact O-CB 3.44Å; A85-A89 PolarHBondContact O-N 3.03Å; A85-L101 HydrophobicContact CB-CD1 3.94Å
86L90.3Very high88.6Confident65 Ų6578.3 Ų78.334%0.3441%0.408SS..Hα-helixtrans-69.5-39178-171.165.9000112.7S84 I88 A89 A90 V98 L101 I102S84-L86 PolarHBondContact O-N 3.14Å; S84-L86 VanDerWaalsContact O-N 3.12Å; S84-L86 PolarHBondContact OG-N 3.29Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-A89 PolarHBondContact O-N 2.93Å; L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 3.13Å; L86-V98 HydrophobicContact CD1-CB 4.45Å; L86-V98 HydrophobicContact CD1-CG1 4Å; L86-V98 HydrophobicContact CD1-CG2 4.5Å; L86-L101 HydrophobicContact CD1-CB 4.21Å; L86-L101 HydrophobicContact CD1-CD1 4.49Å; L86-I102 HydrophobicContact CD1-CD1 4.34Å; L86-I102 HydrophobicContact CD1-CG1 3.91Å; L86-I102 HydrophobicContact CD2-CG1 4.39Å
87H90.4Very high89.1Confident105 Ų10568.7 Ų68.749%0.48637%0.371SS..Hα-helixtrans-61.2-45.6176-65.5146.6000110.9W83 S84 A90 F91W83-H87 HydrophobicContact CB-CB 4.23Å; W83-H87 HydrophobicContact CD2-CB 4.46Å; W83-H87 HydrophobicContact CE3-CB 4.33Å; W83-H87 HydrophobicContact CG-CB 4.44Å; S84-H87 PolarHBondContact N-ND1 3.1Å; S84-H87 WeakPolarHBondContact O-CB 3.5Å; S84-H87 PolarHBondContact O-N 2.82Å; S84-H87 PolarHBondContact OG-N 2.96Å; S84-H87 PolarHBondContact OG-ND1 2.93Å; H87-A90 PolarHBondContact O-N 2.79Å; H87-F91 WeakPolarHBondContact O-CB 3.47Å; H87-F91 PolarHBondContact O-N 3Å
88I90.4Very high89.4Confident16 Ų1668.3 Ų68.38%0.08237%0.371CS..Hα-helixtrans-64.2-45.7178.1-57.8-178.9000110.8H54 V57 I58 W83 S84 L86 A90 F91 G92H54-I88 HydrophobicContact CB-CD1 3.88Å; V57-I88 HydrophobicContact CB-CG2 4.36Å; V57-I88 HydrophobicContact CG1-CB 3.92Å; V57-I88 HydrophobicContact CG1-CG2 3.78Å; I58-I88 HydrophobicContact CB-CG2 4.46Å; I58-I88 HydrophobicContact CD1-CD1 4.38Å; I58-I88 HydrophobicContact CG1-CD1 4.22Å; I58-I88 HydrophobicContact CG1-CG2 3.53Å; W83-I88 HydrophobicContact CB-CG1 4.38Å; W83-I88 HydrophobicContact CE3-CG1 4.11Å; S84-I88 PolarHBondContact O-N 2.93Å; L86-I88 VanDerWaalsContact C-N 3.34Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.34Å; I88-F91 PolarHBondContact O-N 3.01Å; I88-G92 PolarHBondContact O-N 3.38Å
89A91.4Very high89.6Confident0 Ų071.6 Ų71.60%038%0.382CS..Hα-helixtrans-61.2-40-179.400000111.9V57 A85 L86 G93 H94 I97 V98 L101V57-A89 VanDerWaalsContact CG1-CA 3.44Å; V57-A89 HydrophobicContact CG1-CB 3.5Å; V57-A89 VanDerWaalsContact CG1-CB 3.5Å; V57-A89 VanDerWaalsContact CG1-N 3.3Å; A85-A89 WeakPolarHBondContact O-CB 3.44Å; A85-A89 PolarHBondContact O-N 3.03Å; L86-A89 PolarHBondContact O-N 2.93Å; A89-G93 PolarHBondContact O-N 3.38Å; A89-H94 PolarHBondContact O-N 2.96Å; A89-I97 HydrophobicContact CB-CB 4.32Å; A89-I97 HydrophobicContact CB-CG2 3.86Å; A89-V98 HydrophobicContact CB-CG2 3.52Å; A89-L101 HydrophobicContact CB-CD1 4.26Å
90A90.9Very high89.8Confident66 Ų6673.4 Ų73.455%0.54539%0.388SS..Hα-helixtrans-67.7-41.417600000111.8L86 H87 I88 G93L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 3.13Å; H87-A90 PolarHBondContact O-N 2.79Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.34Å; A90-G93 PolarHBondContact O-N 3.13Å
91F91.3Very high90Very high168 Ų16865 Ų6574%0.73736%0.357SS*.Hα-helixtrans-64.8-42.3177.4-176.2-98000112.4W83 H87 I88 G93W83-F91 HydrophobicContact CH2-CD2 4.24Å; W83-F91 HydrophobicContact CH2-CG 4.39Å; W83-F91 HydrophobicContact CZ3-CB 4.13Å; W83-F91 HydrophobicContact CZ3-CD1 4.42Å; W83-F91 HydrophobicContact CZ3-CD2 4.35Å; W83-F91 HydrophobicContact CZ3-CG 4.05Å; H87-F91 WeakPolarHBondContact O-CB 3.47Å; H87-F91 PolarHBondContact O-N 3Å; I88-F91 PolarHBondContact O-N 3.01Å; F91-G93 VanDerWaalsContact C-N 3.25Å; F91-G93 PolarHBondContact O-N 3.11Å
92G87.7Confident90.1Very high39 Ų3961.2 Ų61.240%0.40234%0.341SS..THydrogen-bonded Turntrans-76.1-6.417700000114.7I88 H94I88-G92 PolarHBondContact O-N 3.38Å; G92-H94 VanDerWaalsContact C-N 3.27Å; G92-H94 PolarHBondContact O-N 3.33Å
93G90.4Very high90.2Very high52 Ų5261.8 Ų61.854%0.53633%0.334SS..THydrogen-bonded Turntrans70.818.4-178.200000114.4A89 A90 F91 Q95A89-G93 PolarHBondContact O-N 3.38Å; A90-G93 PolarHBondContact O-N 3.13Å; F91-G93 VanDerWaalsContact C-N 3.25Å; F91-G93 PolarHBondContact O-N 3.11Å; G93-Q95 VanDerWaalsContact C-N 3.31Å; G93-Q95 PolarHBondContact O-N 3.03Å
94H91.8Very high90Very high57 Ų5761.5 Ų61.526%0.26434%0.336SS..  trans-79.275.5-178.2-58.5-47.8000111.6V57 A89 G92 D96 I97 V98V57-H94 PolarHBondContact O-CD2 3.1Å; V57-H94 PolarHBondContact O-NE2 3.32Å; A89-H94 PolarHBondContact O-N 2.96Å; G92-H94 VanDerWaalsContact C-N 3.27Å; G92-H94 PolarHBondContact O-N 3.33Å; H94-D96 VanDerWaalsContact C-N 3.3Å; H94-D96 PolarHBondContact O-N 3.33Å; H94-I97 HydrophobicContact CB-CB 4.01Å; H94-I97 HydrophobicContact CB-CD1 3.85Å; H94-I97 HydrophobicContact CB-CG1 4.08Å; H94-I97 PolarHBondContact O-N 3.38Å; H94-I97 VanDerWaalsContact O-N 3.07Å; H94-V98 WeakPolarHBondContact O-CG2 3.47Å; H94-V98 PolarHBondContact O-N 3.42Å
95Q91.8Very high89.2Confident161 Ų16163 Ų6375%0.75235%0.35SS*.Hα-helixtrans-53.8-41.8-174.5-67.8-176.8100113.4G93 I97 V98 L99G93-Q95 VanDerWaalsContact C-N 3.31Å; G93-Q95 PolarHBondContact O-N 3.03Å; Q95-I97 VanDerWaalsContact C-N 3.32Å; Q95-I97 PolarHBondContact O-N 3.05Å; Q95-V98 PolarHBondContact O-N 3Å; Q95-L99 WeakPolarHBondContact O-CB 3.39Å; Q95-L99 PolarHBondContact O-N 2.84Å
96D92.9Very high87.8Confident114 Ų11470.3 Ų70.361%0.6138%0.381SS*.Hα-helixtrans-64.1-38.1-179.9-61.3-39.4000112.3L62 H94 Y100L62-D96 HydrophobicContact CD2-CB 4.02Å; H94-D96 VanDerWaalsContact C-N 3.3Å; H94-D96 PolarHBondContact O-N 3.33Å; D96-Y100 WeakPolarHBondContact O-CB 3.47Å; D96-Y100 PolarHBondContact O-N 3.41Å
97I92.6Very high86Confident3 Ų376.3 Ų76.32%0.01540%0.401CS..Hα-helixtrans-70.4-44.5177.3-62.2-179.6000110V57 L62 V65 A89 H94 Q95 L99 Y100 L101V57-I97 HydrophobicContact CG1-CG2 4.17Å; V57-I97 HydrophobicContact CG2-CG2 3.88Å; L62-I97 HydrophobicContact CB-CG1 4.17Å; L62-I97 HydrophobicContact CD1-CG1 4.01Å; V65-I97 HydrophobicContact CG1-CG2 4.4Å; V65-I97 HydrophobicContact CG2-CD1 4.2Å; V65-I97 HydrophobicContact CG2-CG1 4.5Å; V65-I97 HydrophobicContact CG2-CG2 4.12Å; A89-I97 HydrophobicContact CB-CB 4.32Å; A89-I97 HydrophobicContact CB-CG2 3.86Å; H94-I97 HydrophobicContact CB-CB 4.01Å; H94-I97 HydrophobicContact CB-CD1 3.85Å; H94-I97 HydrophobicContact CB-CG1 4.08Å; H94-I97 PolarHBondContact O-N 3.38Å; H94-I97 VanDerWaalsContact O-N 3.07Å; Q95-I97 VanDerWaalsContact C-N 3.32Å; Q95-I97 PolarHBondContact O-N 3.05Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 3.34Å; I97-Y100 PolarHBondContact O-N 3.31Å; I97-L101 HydrophobicContact CG2-CD1 3.86Å; I97-L101 HydrophobicContact CG2-CG 4.19Å; I97-L101 WeakPolarHBondContact O-CB 3.49Å; I97-L101 VanDerWaalsContact O-CG 3.3Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 2.93Å
98V91.4Very high84.1Confident33 Ų3376 Ų7620%0.241%0.411CS..Hα-helixtrans-55.6-49174.9171.10000110.4L86 A89 H94 Q95 Y100 L101 I102L86-V98 HydrophobicContact CD1-CB 4.45Å; L86-V98 HydrophobicContact CD1-CG1 4Å; L86-V98 HydrophobicContact CD1-CG2 4.5Å; A89-V98 HydrophobicContact CB-CG2 3.52Å; H94-V98 WeakPolarHBondContact O-CG2 3.47Å; H94-V98 PolarHBondContact O-N 3.42Å; Q95-V98 PolarHBondContact O-N 3Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.11Å; V98-L101 PolarHBondContact O-N 2.99Å; V98-I102 HydrophobicContact CG1-CD1 3.64Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CB 3.27Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 3.41Å
99L90.9Very high82.1Confident113 Ų11379.7 Ų79.759%0.59244%0.438SS*.Hα-helixtrans-60.5-44.2179.1-17764.3000111.4Q95 I97 T103Q95-L99 WeakPolarHBondContact O-CB 3.39Å; Q95-L99 PolarHBondContact O-N 2.84Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 3.34Å; L99-T103 VanDerWaalsContact O-CB 3.28Å; L99-T103 WeakPolarHBondContact O-CB 3.27Å; L99-T103 PolarHBondContact O-N 3.19Å; L99-T103 PolarHBondContact O-OG1 2.98Å
100Y91Very high80Confident49 Ų4983.2 Ų83.219%0.19247%0.474CS..Hα-helixtrans-62.7-47.6178-176.6-99.3000112.5L62 V65 K66 V69 D96 I97 V98 T103 K104L62-Y100 HydrophobicContact CD1-CG 4.33Å; V65-Y100 HydrophobicContact CG1-CD1 3.92Å; V65-Y100 HydrophobicContact CG1-CE1 4.19Å; K66-Y100 HydrophobicContact CG-CD1 4.43Å; K66-Y100 HydrophobicContact CG-CD2 4.12Å; K66-Y100 HydrophobicContact CG-CE1 4.03Å; K66-Y100 HydrophobicContact CG-CE2 3.68Å; K66-Y100 HydrophobicContact CG-CG 4.48Å; V69-Y100 HydrophobicContact CB-CE1 4.13Å; V69-Y100 HydrophobicContact CG1-CE1 4.26Å; V69-Y100 HydrophobicContact CG2-CE1 4.11Å; D96-Y100 WeakPolarHBondContact O-CB 3.47Å; D96-Y100 PolarHBondContact O-N 3.41Å; I97-Y100 PolarHBondContact O-N 3.31Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.11Å; Y100-T103 WeakPolarHBondContact O-CB 3.45Å; Y100-T103 PolarHBondContact O-N 2.95Å; Y100-K104 HydrophobicContact CD1-CG 4.5Å; Y100-K104 HydrophobicContact CE1-CG 4.02Å; Y100-K104 HydrophobicContact CE2-CG 4.36Å; Y100-K104 PolarHBondContact O-N 3.04Å; Y100-K104 WeakPolarHBondContact OH-CE 3.42Å
101L87.8Confident77.7Confident6 Ų684.8 Ų84.83%0.03149%0.487CS..Hα-helixtrans-63.1-44.9180-69.6175.2000111.7V57 V65 I75 A85 L86 A89 I97 V98 T103 K104 A105V57-L101 HydrophobicContact CG2-CD1 4.45Å; V65-L101 HydrophobicContact CG1-CD2 4.2Å; I75-L101 HydrophobicContact CB-CD2 4.02Å; I75-L101 HydrophobicContact CG2-CD2 3.62Å; A85-L101 HydrophobicContact CB-CD1 3.94Å; L86-L101 HydrophobicContact CD1-CB 4.21Å; L86-L101 HydrophobicContact CD1-CD1 4.49Å; A89-L101 HydrophobicContact CB-CD1 4.26Å; I97-L101 HydrophobicContact CG2-CD1 3.86Å; I97-L101 HydrophobicContact CG2-CG 4.19Å; I97-L101 WeakPolarHBondContact O-CB 3.49Å; I97-L101 VanDerWaalsContact O-CG 3.3Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 2.93Å; V98-L101 PolarHBondContact O-N 2.99Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.48Å; L101-K104 PolarHBondContact O-N 3.48Å; L101-A105 WeakPolarHBondContact O-CB 3.17Å; L101-A105 PolarHBondContact O-N 2.59Å
102I87.1Confident75.5Confident68 Ų6891.8 Ų91.835%0.34951%0.508SS..Hα-helixtrans-62.2-43176.4-68.5170.5000110.7L86 V98 K104 A105 K106L86-I102 HydrophobicContact CD1-CD1 4.34Å; L86-I102 HydrophobicContact CD1-CG1 3.91Å; L86-I102 HydrophobicContact CD2-CG1 4.39Å; V98-I102 HydrophobicContact CG1-CD1 3.64Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CB 3.27Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 3.41Å; I102-K104 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 3.03Å; I102-A105 PolarHBondContact O-N 3.06Å; I102-K106 HydrophobicContact CG2-CD 4.45Å; I102-K106 WeakPolarHBondContact O-CG 3.27Å; I102-K106 PolarHBondContact O-N 3.33Å
103T87.8Confident74.9Confident58 Ų5894.4 Ų94.436%0.35651%0.514SS..Hα-helixtrans-59.4-47.2178.1-60.50000110.1L99 Y100 L101 K106 Y107L99-T103 VanDerWaalsContact O-CB 3.28Å; L99-T103 WeakPolarHBondContact O-CB 3.27Å; L99-T103 PolarHBondContact O-N 3.19Å; L99-T103 PolarHBondContact O-OG1 2.98Å; Y100-T103 WeakPolarHBondContact O-CB 3.45Å; Y100-T103 PolarHBondContact O-N 2.95Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.48Å; T103-K106 PolarHBondContact O-N 3.43Å; T103-Y107 HydrophobicContact CG2-CD2 4.36Å; T103-Y107 HydrophobicContact CG2-CE2 3.76Å; T103-Y107 WeakPolarHBondContact O-CD2 3.43Å; T103-Y107 WeakPolarHBondContact O-CE2 3.43Å
104K83.6Confident74.1Confident99 Ų9996.6 Ų96.643%0.4351%0.513SS..Hα-helixtrans-67.6-37.5178.6-75.8-70.5-176179.50113.6V69 I75 Y100 L101 I102 K106 Y107V69-K104 HydrophobicContact CG1-CD 4.23Å; V69-K104 HydrophobicContact CG1-CG 4.15Å; I75-K104 HydrophobicContact CD1-CB 4.05Å; Y100-K104 HydrophobicContact CD1-CG 4.5Å; Y100-K104 HydrophobicContact CE1-CG 4.02Å; Y100-K104 HydrophobicContact CE2-CG 4.36Å; Y100-K104 PolarHBondContact O-N 3.04Å; Y100-K104 WeakPolarHBondContact OH-CE 3.42Å; L101-K104 PolarHBondContact O-N 3.48Å; I102-K104 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 3.03Å; K104-K106 VanDerWaalsContact C-N 3.32Å; K104-K106 PolarHBondContact O-N 3.34Å; K104-Y107 PolarHBondContact O-N 3.49Å
105A73.4Confident73.1Confident51 Ų5198.8 Ų98.842%0.42153%0.526SS..Hα-helixtrans-62.1-37.5177.700000113I75 L101 I102 Y107 S108I75-A105 HydrophobicContact CD1-CB 3.76Å; L101-A105 WeakPolarHBondContact O-CB 3.17Å; L101-A105 PolarHBondContact O-N 2.59Å; I102-A105 PolarHBondContact O-N 3.06Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 3.23Å; A105-S108 PolarHBondContact O-N 3.44Å
106K59.3Low72Confident153 Ų15395.2 Ų95.267%0.66551%0.513SS*.Hα-helixtrans-68.6-26.7-178.7-77.2-176171.8-177.50114.6I102 T103 K104 S109I102-K106 HydrophobicContact CG2-CD 4.45Å; I102-K106 WeakPolarHBondContact O-CG 3.27Å; I102-K106 PolarHBondContact O-N 3.33Å; T103-K106 PolarHBondContact O-N 3.43Å; K104-K106 VanDerWaalsContact C-N 3.32Å; K104-K106 PolarHBondContact O-N 3.34Å; K106-S109 PolarHBondContact O-OG 3.25Å; K106-S109 VanDerWaalsContact O-OG 3.11Å
107Y53.3Low70.7Confident191 Ų19194 Ų9475%0.74951%0.507SS*.Hα-helixtrans-87.7-9.7-179.1-66.5-70.4000113.7T103 K104 A105T103-Y107 HydrophobicContact CG2-CD2 4.36Å; T103-Y107 HydrophobicContact CG2-CE2 3.76Å; T103-Y107 WeakPolarHBondContact O-CD2 3.43Å; T103-Y107 WeakPolarHBondContact O-CE2 3.43Å; K104-Y107 PolarHBondContact O-N 3.49Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 3.23Å
108S49.7Very low69.3Low100 Ų100100.1 Ų100.170%0.69954%0.54SS*.G310 helixtrans-84.8-10.1177.4-164.30000113.8A105 G110A105-S108 PolarHBondContact O-N 3.44Å; S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact O-N 3.5Å
109S48.7Very low67.7Low93 Ų93104.9 Ų104.965%0.6556%0.564SS**G310 helixtrans-89.416.8-18054.30000114.3K106K106-S109 PolarHBondContact O-OG 3.25Å; K106-S109 VanDerWaalsContact O-OG 3.11Å
110G46.5Very low65.9Low74 Ų74104.2 Ų104.276%0.76356%0.562SS**G310 helixtrans-91-3.8178.100000115.8S108S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact O-N 3.5Å
111A43.7Very low63.8Low98 Ų98108.8 Ų108.881%0.8159%0.593SS**  trans-102.591173.900000109.2
112R45.1Very low61.6Low315 Ų315118.2 Ų118.2100%1.18964%0.644SS**  trans-100.70160.1-79.2-175.1179.1175.3-0.3108.6

Retrieved 112 of 112 residues in 21.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).