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SAGA-associated factor 11

Component of the transcription regulatory histone acetylation (HAT) complex SAGA, a multiprotein complex that activates transcription by remodeling chromatin and mediating histone acetylation and deubiquitination. Within the SAGA complex, participates in a subcomplex that specifically deubiquitinates histone H2B. The SAGA complex is recruited to specific gene promoters by activators, where it is required for transcription.

AlphaFold DB , UniProt , Accession G4VEB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 232 aa.

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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
1M54Low72.6Confident241 Ų241133.6 Ų133.6100%1.18771%0.706SS**  0102.50-72.4173.5119.100107.9
2Q57.4Low74.1Confident198 Ų198130.7 Ų130.793%0.92569%0.69SS**PPolyproline II helixtrans-75.7120.2170.1-78.2166-1200107.2
3K62.2Low75.5Confident201 Ų201128.8 Ų128.887%0.87468%0.675SS**PPolyproline II helixtrans-67.5131.4174.5-88.8176.4174.7172.60108.3F5K3-F5 PolarHBondContact O-N 3.35Å
4P69.4Low76.8Confident122 Ų122127.4 Ų127.479%0.79267%0.669SS**PPolyproline II helixtrans-63.5128.917126.2-31.1000108.7A6P4-A6 PolarHBondContact O-N 3.12Å; P4-A6 VanDerWaalsContact O-N 3.12Å
5F64.7Low78Confident192 Ų192125.7 Ų125.784%0.84266%0.659SS**  trans-73.2100.2175-146.6-84.7000107.1K3 V7K3-F5 PolarHBondContact O-N 3.35Å; F5-V7 VanDerWaalsContact C-N 3.34Å; F5-V7 HydrophobicContact CD1-CG2 3.63Å; F5-V7 HydrophobicContact CE1-CG2 4.17Å; F5-V7 PolarHBondContact O-N 3.49Å; F5-V7 VanDerWaalsContact O-N 3.11Å
6A71.5Confident79.1Confident91 Ų91123.4 Ų123.475%0.75265%0.647SS**  trans-8087.717400000108P4 T8P4-A6 PolarHBondContact O-N 3.12Å; P4-A6 VanDerWaalsContact O-N 3.12Å; A6-T8 PolarHBondContact O-N 3.11Å
7V79.9Confident80.1Confident70 Ų70121.9 Ų121.942%0.42464%0.636SS.*  trans-70.2123.2167.3-175.50000106.8F5 D11 L12F5-V7 VanDerWaalsContact C-N 3.34Å; F5-V7 HydrophobicContact CD1-CG2 3.63Å; F5-V7 HydrophobicContact CE1-CG2 4.17Å; F5-V7 PolarHBondContact O-N 3.49Å; F5-V7 VanDerWaalsContact O-N 3.11Å; V7-D11 HydrophobicContact CG1-CB 3.87Å; V7-L12 HydrophobicContact CG1-CB 4.21Å
8T81.8Confident81Confident73 Ų73123 Ų12345%0.44864%0.637SS.*  trans-73.2154.5174.373.20000109.5A6 S10 D11 L12A6-T8 PolarHBondContact O-N 3.11Å; T8-S10 PolarHBondContact O-N 3.15Å; T8-D11 WeakPolarHBondContact CB-OD2 3.48Å; T8-D11 PolarHBondContact N-OD2 3.13Å; T8-D11 PolarHBondContact O-N 3.21Å; T8-D11 VanDerWaalsContact O-N 3.13Å; T8-D11 PolarHBondContact OG1-N 2.65Å; T8-D11 PolarHBondContact OG1-OD1 3.32Å; T8-D11 PolarHBondContact OG1-OD2 3.42Å; T8-L12 PolarHBondContact O-N 3.01Å; T8-L12 VanDerWaalsContact O-N 3.15Å
9H81.4Confident81.8Confident138 Ų138122.7 Ų122.764%0.63963%0.631SS**Hα-helixtrans-57.4-34.1178.3179.8-86.8000112.1L12 Q13H9-L12 PolarHBondContact O-N 3.31Å; H9-Q13 PolarHBondContact CE1-NE2 3.44Å; H9-Q13 VanDerWaalsContact CE1-NE2 3.27Å; H9-Q13 WeakPolarHBondContact O-CG 3.36Å; H9-Q13 PolarHBondContact O-N 3.15Å; H9-Q13 VanDerWaalsContact O-N 3.15Å
10S86.2Confident82.6Confident71 Ų71120 Ų12050%0.49762%0.617SS.*Hα-helixtrans-64.3-47175.2-61.10000111.8T8 L12 Q13 D14T8-S10 PolarHBondContact O-N 3.15Å; S10-L12 PolarHBondContact O-N 2.93Å; S10-Q13 WeakPolarHBondContact O-CB 3.42Å; S10-Q13 PolarHBondContact O-N 3.46Å; S10-D14 PolarHBondContact O-N 3.32Å
11D89.4Confident83.3Confident73 Ų73118 Ų11839%0.3961%0.608SS.*Hα-helixtrans-60-36.9177.9-52.7-38.6000111.7V7 T8 D14 I15V7-D11 HydrophobicContact CG1-CB 3.87Å; T8-D11 WeakPolarHBondContact CB-OD2 3.48Å; T8-D11 PolarHBondContact N-OD2 3.13Å; T8-D11 PolarHBondContact O-N 3.21Å; T8-D11 VanDerWaalsContact O-N 3.13Å; T8-D11 PolarHBondContact OG1-N 2.65Å; T8-D11 PolarHBondContact OG1-OD1 3.32Å; T8-D11 PolarHBondContact OG1-OD2 3.42Å; D11-D14 PolarHBondContact O-N 3.27Å; D11-I15 WeakPolarHBondContact O-CD1 3.28Å; D11-I15 VanDerWaalsContact O-CG1 3.23Å; D11-I15 WeakPolarHBondContact O-CG1 3.23Å; D11-I15 PolarHBondContact O-N 3.04Å
12L91.2Very high85.3Confident98 Ų98112.6 Ų112.651%0.51358%0.579SS.*Hα-helixtrans-66.4-39.2177-171.4150.7000111.8V7 T8 H9 S10 L16V7-L12 HydrophobicContact CG1-CB 4.21Å; T8-L12 PolarHBondContact O-N 3.01Å; T8-L12 VanDerWaalsContact O-N 3.15Å; H9-L12 PolarHBondContact O-N 3.31Å; S10-L12 PolarHBondContact O-N 2.93Å; L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.02Å
13Q92.4Very high87.2Confident106 Ų106107.2 Ų107.250%0.49556%0.556SS.*Hα-helixtrans-65-41.4175.8-73.5-173.9-35.300111.7H9 S10 L16 Q17H9-Q13 PolarHBondContact CE1-NE2 3.44Å; H9-Q13 VanDerWaalsContact CE1-NE2 3.27Å; H9-Q13 WeakPolarHBondContact O-CG 3.36Å; H9-Q13 PolarHBondContact O-N 3.15Å; H9-Q13 VanDerWaalsContact O-N 3.15Å; S10-Q13 WeakPolarHBondContact O-CB 3.42Å; S10-Q13 PolarHBondContact O-N 3.46Å; Q13-L16 PolarHBondContact O-N 3.05Å; Q13-Q17 WeakPolarHBondContact O-CB 3.25Å; Q13-Q17 PolarHBondContact O-N 3.19Å
14D93.8Very high88.9Confident109 Ų109100.9 Ų100.958%0.58354%0.535SS*.Hα-helixtrans-63.6-45.2177.9-65.9-28.3000111.2S10 D11 L16 Q17 E18S10-D14 PolarHBondContact O-N 3.32Å; D11-D14 PolarHBondContact O-N 3.27Å; D14-L16 VanDerWaalsContact C-N 3.35Å; D14-L16 PolarHBondContact O-N 3.26Å; D14-Q17 PolarHBondContact O-N 2.94Å; D14-E18 PolarHBondContact O-N 3.4Å
15I94Very high90.2Very high102 Ų102100.1 Ų100.152%0.52352%0.524SS..Hα-helixtrans-62.5-42175.6-66.7163.6000111.3D11 Q17 E18 F19D11-I15 WeakPolarHBondContact O-CD1 3.28Å; D11-I15 VanDerWaalsContact O-CG1 3.23Å; D11-I15 WeakPolarHBondContact O-CG1 3.23Å; D11-I15 PolarHBondContact O-N 3.04Å; I15-Q17 VanDerWaalsContact C-N 3.33Å; I15-E18 PolarHBondContact O-N 3.04Å; I15-F19 WeakPolarHBondContact O-CB 3.41Å; I15-F19 PolarHBondContact O-N 3.36Å
16L95.8Very high91.7Very high89 Ų8994.4 Ų94.447%0.46651%0.508SS..Hα-helixtrans-65.1-40.1178.8179.862000111.2L12 Q13 D14 F19 I20L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.02Å; Q13-L16 PolarHBondContact O-N 3.05Å; D14-L16 VanDerWaalsContact C-N 3.35Å; D14-L16 PolarHBondContact O-N 3.26Å; L16-F19 PolarHBondContact O-N 3.49Å; L16-I20 HydrophobicContact CD1-CD1 4.13Å; L16-I20 HydrophobicContact CD1-CG1 4.36Å; L16-I20 HydrophobicContact CG-CD1 3.9Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.46Å; L16-I20 PolarHBondContact O-N 3.29Å
17Q95.7Very high92.8Very high99 Ų9994.6 Ų94.646%0.46350%0.502SS..Hα-helixtrans-65.3-45.8177.9-171.860.644.200111.1Q13 D14 I15 F19 I20 D21Q13-Q17 WeakPolarHBondContact O-CB 3.25Å; Q13-Q17 PolarHBondContact O-N 3.19Å; D14-Q17 PolarHBondContact O-N 2.94Å; I15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-F19 VanDerWaalsContact C-N 3.29Å; Q17-F19 PolarHBondContact O-N 2.99Å; Q17-I20 PolarHBondContact O-N 2.89Å; Q17-D21 PolarHBondContact NE2-OD1 3.05Å; Q17-D21 WeakPolarHBondContact O-CB 3.5Å; Q17-D21 VanDerWaalsContact O-CG 3.23Å; Q17-D21 PolarHBondContact O-N 3.42Å
18E96.4Very high93.6Very high141 Ų14195.8 Ų95.866%0.65951%0.506SS*.Hα-helixtrans-57-43.3175.2-174.5178.6-171.600111.7D14 I15 D21 E22D14-E18 PolarHBondContact O-N 3.4Å; I15-E18 PolarHBondContact O-N 3.04Å; E18-D21 PolarHBondContact O-N 3.15Å; E18-E22 PolarHBondContact O-N 3.42Å
19F96.9Very high94.3Very high117 Ų11797.1 Ų97.151%0.51351%0.508SS..Hα-helixtrans-67.1-39.5177.5-179-107.6000113.2I15 L16 Q17 L23I15-F19 WeakPolarHBondContact O-CB 3.41Å; I15-F19 PolarHBondContact O-N 3.36Å; L16-F19 PolarHBondContact O-N 3.49Å; Q17-F19 VanDerWaalsContact C-N 3.29Å; Q17-F19 PolarHBondContact O-N 2.99Å; F19-L23 HydrophobicContact CD1-CD1 3.81Å; F19-L23 HydrophobicContact CE1-CD1 3.31Å; F19-L23 HydrophobicContact CE1-CG 4.16Å; F19-L23 HydrophobicContact CE2-CD1 4.42Å; F19-L23 HydrophobicContact CE2-CG 4.44Å; F19-L23 HydrophobicContact CZ-CD1 3.67Å; F19-L23 HydrophobicContact CZ-CD2 4.44Å; F19-L23 HydrophobicContact CZ-CG 4.1Å; F19-L23 WeakPolarHBondContact O-CB 3.29Å; F19-L23 WeakPolarHBondContact O-CG 3.48Å; F19-L23 PolarHBondContact O-N 2.98Å
20I97.7Very high94.9Very high69 Ų6996 Ų9635%0.35451%0.507SS..Hα-helixtrans-64.3-43.6175.2-71.4166.8000110L16 Q17 L23 V24L16-I20 HydrophobicContact CD1-CD1 4.13Å; L16-I20 HydrophobicContact CD1-CG1 4.36Å; L16-I20 HydrophobicContact CG-CD1 3.9Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.46Å; L16-I20 PolarHBondContact O-N 3.29Å; Q17-I20 PolarHBondContact O-N 2.89Å; I20-L23 PolarHBondContact O-N 2.9Å; I20-V24 HydrophobicContact CG2-CG2 4.3Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.03Å
21D97.4Very high95.2Very high79 Ų7994 Ų9442%0.42250%0.498SS..Hα-helixtrans-63-43.3179.3-67.6-19.5000110.8Q17 E18 L23 V24 D25Q17-D21 PolarHBondContact NE2-OD1 3.05Å; Q17-D21 WeakPolarHBondContact O-CB 3.5Å; Q17-D21 VanDerWaalsContact O-CG 3.23Å; Q17-D21 PolarHBondContact O-N 3.42Å; E18-D21 PolarHBondContact O-N 3.15Å; D21-L23 PolarHBondContact O-N 2.96Å; D21-V24 PolarHBondContact O-N 3.27Å; D21-D25 WeakPolarHBondContact O-CB 3.29Å; D21-D25 PolarHBondContact O-N 3.18Å
22E97Very high95.6Very high126 Ų12694.9 Ų94.959%0.58950%0.502SS*.Hα-helixtrans-62-39.7175.2-171.9-179.7-17200112.7E18 S26E18-E22 PolarHBondContact O-N 3.42Å; E22-S26 WeakPolarHBondContact O-CB 3.34Å; E22-S26 PolarHBondContact O-N 2.84Å; E22-S26 PolarHBondContact O-OG 3Å
23L97Very high95.8Very high85 Ų8594.9 Ų94.945%0.44550%0.502SS..Hα-helixtrans-65.8-44.6175.6-80.5172.9000112F19 I20 D21 S26 C27F19-L23 HydrophobicContact CD1-CD1 3.81Å; F19-L23 HydrophobicContact CE1-CD1 3.31Å; F19-L23 HydrophobicContact CE1-CG 4.16Å; F19-L23 HydrophobicContact CE2-CD1 4.42Å; F19-L23 HydrophobicContact CE2-CG 4.44Å; F19-L23 HydrophobicContact CZ-CD1 3.67Å; F19-L23 HydrophobicContact CZ-CD2 4.44Å; F19-L23 HydrophobicContact CZ-CG 4.1Å; F19-L23 WeakPolarHBondContact O-CB 3.29Å; F19-L23 WeakPolarHBondContact O-CG 3.48Å; F19-L23 PolarHBondContact O-N 2.98Å; I20-L23 PolarHBondContact O-N 2.9Å; D21-L23 PolarHBondContact O-N 2.96Å; L23-S26 PolarHBondContact O-N 3.38Å; L23-C27 PolarHBondContact O-N 2.88Å; L23-C27 PolarHBondContact O-SG 3.43Å
24V97.5Very high95.9Very high69 Ų6993 Ų9342%0.41850%0.497SS..Hα-helixtrans-61.5-49.3177.8168.90000109.9I20 D21 S26 C27 L28I20-V24 HydrophobicContact CG2-CG2 4.3Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.03Å; D21-V24 PolarHBondContact O-N 3.27Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 2.89Å; V24-C27 PolarHBondContact O-N 2.9Å; V24-L28 HydrophobicContact CG1-CD1 3.68Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; V24-L28 WeakPolarHBondContact O-CB 3.25Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 2.88Å
25D97.4Very high96Very high106 Ų10691.9 Ų91.957%0.56749%0.49SS*.Hα-helixtrans-59.7-43.1178.6-82.5-11.1000111.9D21 C27 L28 M29D21-D25 WeakPolarHBondContact O-CB 3.29Å; D21-D25 PolarHBondContact O-N 3.18Å; D25-C27 VanDerWaalsContact C-N 3.35Å; D25-C27 PolarHBondContact O-N 3.29Å; D25-L28 PolarHBondContact O-N 3.48Å; D25-M29 VanDerWaalsContact O-CB 3.25Å; D25-M29 WeakPolarHBondContact O-CB 3.45Å; D25-M29 PolarHBondContact O-N 3.39Å
26S95.5Very high96.1Very high72 Ų7292 Ų9250%0.50349%0.488SS..Hα-helixtrans-61.2-41.9176.7-64.70000112.3E22 L23 V24 D30E22-S26 WeakPolarHBondContact O-CB 3.34Å; E22-S26 PolarHBondContact O-N 2.84Å; E22-S26 PolarHBondContact O-OG 3Å; L23-S26 PolarHBondContact O-N 3.38Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 2.89Å; S26-D30 PolarHBondContact O-N 3.4Å
27C95.2Very high96.2Very high94 Ų9495.1 Ų95.164%0.63549%0.494SS*.Hα-helixtrans-70.7-41.4178.8-66.40000112.3L23 V24 D25L23-C27 PolarHBondContact O-N 2.88Å; L23-C27 PolarHBondContact O-SG 3.43Å; V24-C27 PolarHBondContact O-N 2.9Å; D25-C27 VanDerWaalsContact C-N 3.35Å; D25-C27 PolarHBondContact O-N 3.29Å
28L96.8Very high96.2Very high96 Ų9690.4 Ų90.450%0.50347%0.471SS..Hα-helixtrans-67.3-40.1178.7-70.3178.3000111.4V24 D25 D30 G31 I32V24-L28 HydrophobicContact CG1-CD1 3.68Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; V24-L28 WeakPolarHBondContact O-CB 3.25Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 2.88Å; D25-L28 PolarHBondContact O-N 3.48Å; L28-D30 PolarHBondContact O-N 3.28Å; L28-G31 PolarHBondContact O-N 2.91Å; L28-I32 HydrophobicContact CB-CD1 4.42Å; L28-I32 WeakPolarHBondContact O-CB 3.23Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.32Å; L28-I32 PolarHBondContact O-N 3.42Å
29M96.2Very high96.1Very high101 Ų10188.8 Ų88.850%0.49847%0.466SS..Hα-helixtrans-61.2-42.5-178.7-168.46060.900112D25 G31 I32 L33D25-M29 VanDerWaalsContact O-CB 3.25Å; D25-M29 WeakPolarHBondContact O-CB 3.45Å; D25-M29 PolarHBondContact O-N 3.39Å; M29-G31 PolarHBondContact O-N 2.87Å; M29-I32 PolarHBondContact O-N 3.36Å; M29-L33 HydrophobicContact CG-CD1 3.81Å; M29-L33 HydrophobicContact CG-CG 4.17Å; M29-L33 WeakPolarHBondContact O-CB 3.27Å; M29-L33 VanDerWaalsContact O-CG 3.23Å; M29-L33 WeakPolarHBondContact O-CG 3.24Å; M29-L33 PolarHBondContact O-N 3.46Å; M29-L33 HydrophobicContact SD-CD1 4.19Å; M29-L33 HydrophobicContact SD-CD2 4.46Å; M29-L33 HydrophobicContact SD-CG 4.06Å
30D93.6Very high96.1Very high113 Ų11391 Ų9160%0.60448%0.476SS*.Hα-helixtrans-60.8-44.8177.8-174.557.4000112.1S26 L28 T34S26-D30 PolarHBondContact O-N 3.4Å; L28-D30 PolarHBondContact O-N 3.28Å; D30-T34 VanDerWaalsContact O-CB 3.27Å; D30-T34 WeakPolarHBondContact O-CB 3.49Å; D30-T34 PolarHBondContact O-N 2.89Å; D30-T34 PolarHBondContact O-OG1 2.96Å
31G93.2Very high96Very high31 Ų3193 Ų9332%0.3249%0.487SS..Hα-helixtrans-62.5-48175.700000112.5L28 M29 T34 M35L28-G31 PolarHBondContact O-N 2.91Å; M29-G31 PolarHBondContact O-N 2.87Å; G31-T34 PolarHBondContact O-N 3.44Å; G31-M35 WeakPolarHBondContact O-CG 3.41Å; G31-M35 PolarHBondContact O-N 2.9Å
32I96.4Very high95.7Very high90 Ų9091.5 Ų91.546%0.46249%0.49SS..Hα-helixtrans-61.8-46.9179.4-68.2165.1000110.8L28 M29 T34 M35 H36L28-I32 HydrophobicContact CB-CD1 4.42Å; L28-I32 WeakPolarHBondContact O-CB 3.23Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.32Å; L28-I32 PolarHBondContact O-N 3.42Å; M29-I32 PolarHBondContact O-N 3.36Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 3.19Å; I32-M35 PolarHBondContact O-N 3.49Å; I32-H36 VanDerWaalsContact O-CB 3.28Å; I32-H36 WeakPolarHBondContact O-CB 3.41Å; I32-H36 PolarHBondContact O-N 2.91Å
33L96.4Very high95.5Very high98 Ų9888.2 Ų88.251%0.51347%0.473SS..Hα-helixtrans-66.1-37.8-180-70.5177.2000111.9M29 H36 R37M29-L33 HydrophobicContact CG-CD1 3.81Å; M29-L33 HydrophobicContact CG-CG 4.17Å; M29-L33 WeakPolarHBondContact O-CB 3.27Å; M29-L33 VanDerWaalsContact O-CG 3.23Å; M29-L33 WeakPolarHBondContact O-CG 3.24Å; M29-L33 PolarHBondContact O-N 3.46Å; M29-L33 HydrophobicContact SD-CD1 4.19Å; M29-L33 HydrophobicContact SD-CD2 4.46Å; M29-L33 HydrophobicContact SD-CG 4.06Å; L33-H36 PolarHBondContact O-N 3.02Å; L33-R37 VanDerWaalsContact O-CB 3.26Å; L33-R37 WeakPolarHBondContact O-CB 3.26Å; L33-R37 PolarHBondContact O-N 3.3Å
34T94.9Very high95.3Very high66 Ų6686.9 Ų86.941%0.40546%0.463SS..Hα-helixtrans-62.4-47.4174.4-67.30000111.4D30 G31 I32 R37 A38D30-T34 VanDerWaalsContact O-CB 3.27Å; D30-T34 WeakPolarHBondContact O-CB 3.49Å; D30-T34 PolarHBondContact O-N 2.89Å; D30-T34 PolarHBondContact O-OG1 2.96Å; G31-T34 PolarHBondContact O-N 3.44Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 3.19Å; T34-R37 PolarHBondContact O-N 3.37Å; T34-A38 WeakPolarHBondContact O-CB 3.36Å; T34-A38 PolarHBondContact O-N 3.37Å
35M94.6Very high94.9Very high86 Ų8689.6 Ų89.642%0.42447%0.471SS..Hα-helixtrans-65-45.2176.5-70.3-171.3-7200111.9G31 I32 R37 A38 I39 F44G31-M35 WeakPolarHBondContact O-CG 3.41Å; G31-M35 PolarHBondContact O-N 2.9Å; I32-M35 PolarHBondContact O-N 3.49Å; M35-R37 VanDerWaalsContact C-N 3.34Å; M35-R37 PolarHBondContact O-N 3.48Å; M35-A38 WeakPolarHBondContact O-CB 3.44Å; M35-A38 PolarHBondContact O-N 3.46Å; M35-A38 VanDerWaalsContact O-N 3.11Å; M35-I39 WeakPolarHBondContact O-CG1 3.34Å; M35-I39 PolarHBondContact O-N 3.21Å; M35-F44 HydrophobicContact CB-CD2 4.47Å; M35-F44 HydrophobicContact CB-CE2 4.06Å; M35-F44 HydrophobicContact CG-CE2 3.93Å; M35-F44 HydrophobicContact SD-CE2 4.17Å
36H96.6Very high94.5Very high106 Ų10690.3 Ų90.349%0.49147%0.474SS..Hα-helixtrans-57.7-46.9177.1178.786.5000111.4I32 L33 A38 I39 K40I32-H36 VanDerWaalsContact O-CB 3.28Å; I32-H36 WeakPolarHBondContact O-CB 3.41Å; I32-H36 PolarHBondContact O-N 2.91Å; L33-H36 PolarHBondContact O-N 3.02Å; H36-A38 VanDerWaalsContact C-N 3.3Å; H36-A38 PolarHBondContact O-N 2.96Å; H36-I39 PolarHBondContact O-N 3.34Å; H36-K40 VanDerWaalsContact O-CB 3.26Å; H36-K40 WeakPolarHBondContact O-CB 3.34Å; H36-K40 PolarHBondContact O-N 3.01Å
37R97Very high94.1Very high153 Ų15390.8 Ų90.858%0.57747%0.47SS*.Hα-helixtrans-59.9-42.2175.9-178.5176.6178-114.81.8111.4L33 T34 M35 K40 L41 Y43L33-R37 VanDerWaalsContact O-CB 3.26Å; L33-R37 WeakPolarHBondContact O-CB 3.26Å; L33-R37 PolarHBondContact O-N 3.3Å; T34-R37 PolarHBondContact O-N 3.37Å; M35-R37 VanDerWaalsContact C-N 3.34Å; M35-R37 PolarHBondContact O-N 3.48Å; R37-K40 PolarHBondContact O-N 2.8Å; R37-L41 HydrophobicContact CG-CD1 3.88Å; R37-L41 WeakPolarHBondContact O-CB 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.28Å; R37-L41 PolarHBondContact O-N 2.79Å; R37-Y43 PolarHBondContact NH1-OH 2.69Å
38A96.1Very high93.6Very high0 Ų088 Ų880%045%0.453CS..Hα-helixtrans-65.6-40.4178.400000113.1T34 M35 H36 G42 Y43 F44 I47T34-A38 WeakPolarHBondContact O-CB 3.36Å; T34-A38 PolarHBondContact O-N 3.37Å; M35-A38 WeakPolarHBondContact O-CB 3.44Å; M35-A38 PolarHBondContact O-N 3.46Å; M35-A38 VanDerWaalsContact O-N 3.11Å; H36-A38 VanDerWaalsContact C-N 3.3Å; H36-A38 PolarHBondContact O-N 2.96Å; A38-G42 CarbonylContact O-C 3.59Å; A38-G42 PolarHBondContact O-N 2.96Å; A38-Y43 HydrophobicContact CB-CD2 3.67Å; A38-Y43 HydrophobicContact CB-CE1 4.27Å; A38-Y43 HydrophobicContact CB-CE2 3.29Å; A38-Y43 HydrophobicContact CB-CG 4.27Å; A38-Y43 PolarHBondContact O-N 3.41Å; A38-F44 HydrophobicContact CB-CB 4.15Å; A38-F44 HydrophobicContact CB-CD2 4.2Å; A38-F44 PolarHBondContact O-N 3.17Å; A38-F44 VanDerWaalsContact O-N 3.11Å; A38-I47 HydrophobicContact CB-CD1 3.34Å; A38-I47 HydrophobicContact CB-CG1 4.04Å
39I95.5Very high92.7Very high108 Ų10887.9 Ų87.955%0.55446%0.458SS*.Hα-helixtrans-66.1-49.3174.9-66.5165.5000109.7M35 H36 L41 G42 F44M35-I39 WeakPolarHBondContact O-CG1 3.34Å; M35-I39 PolarHBondContact O-N 3.21Å; H36-I39 PolarHBondContact O-N 3.34Å; I39-L41 VanDerWaalsContact C-N 3.29Å; I39-L41 PolarHBondContact O-N 3Å; I39-G42 PolarHBondContact O-N 3.46Å; I39-F44 HydrophobicContact CD1-CD2 4.19Å; I39-F44 HydrophobicContact CD1-CE2 4.42Å; I39-F44 HydrophobicContact CD1-CG 4.45Å; I39-F44 HydrophobicContact CG1-CB 3.75Å; I39-F44 HydrophobicContact CG1-CD1 4.35Å; I39-F44 HydrophobicContact CG1-CD2 3.68Å; I39-F44 HydrophobicContact CG1-CE2 4.38Å; I39-F44 HydrophobicContact CG1-CG 3.66Å
40K96.5Very high91.6Very high164 Ų16490.8 Ų90.871%0.71347%0.471SS*.Hα-helixtrans-60.3-36.4-178.7-174.4172.8-176.3174.70113.1H36 R37H36-K40 VanDerWaalsContact O-CB 3.26Å; H36-K40 WeakPolarHBondContact O-CB 3.34Å; H36-K40 PolarHBondContact O-N 3.01Å; R37-K40 PolarHBondContact O-N 2.8Å
41L95.2Very high90.1Very high110 Ų11094.2 Ų94.258%0.57648%0.483SS*.THydrogen-bonded Turntrans-93.11.2177.6-64.9177.8000113.2R37 I39 Y43R37-L41 HydrophobicContact CG-CD1 3.88Å; R37-L41 WeakPolarHBondContact O-CB 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.28Å; R37-L41 PolarHBondContact O-N 2.79Å; I39-L41 VanDerWaalsContact C-N 3.29Å; I39-L41 PolarHBondContact O-N 3Å; L41-Y43 HydrophobicContact CB-CD1 3.57Å; L41-Y43 HydrophobicContact CB-CE1 3.6Å; L41-Y43 HydrophobicContact CD1-CE1 3.81Å; L41-Y43 HydrophobicContact CG-CE1 4.27Å; L41-Y43 PolarHBondContact O-N 3.48Å
42G91.5Very high88.1Confident48 Ų4898.2 Ų98.250%0.49550%0.497SS..THydrogen-bonded Turntrans74.217.8174.200000115.8A38 I39 H45A38-G42 CarbonylContact O-C 3.59Å; A38-G42 PolarHBondContact O-N 2.96Å; I39-G42 PolarHBondContact O-N 3.46Å; G42-H45 PolarHBondContact O-CE1 3.48Å; G42-H45 PolarHBondContact O-ND1 3.14Å; G42-H45 VanDerWaalsContact O-ND1 3.14Å
43Y93.4Very high86.3Confident57 Ų5799.1 Ų99.122%0.22451%0.509CS..  trans-107.79.1178.470.7-98.1000114.3R37 A38 L41 H45 I46 I47R37-Y43 PolarHBondContact NH1-OH 2.69Å; A38-Y43 HydrophobicContact CB-CD2 3.67Å; A38-Y43 HydrophobicContact CB-CE1 4.27Å; A38-Y43 HydrophobicContact CB-CE2 3.29Å; A38-Y43 HydrophobicContact CB-CG 4.27Å; A38-Y43 PolarHBondContact O-N 3.41Å; L41-Y43 HydrophobicContact CB-CD1 3.57Å; L41-Y43 HydrophobicContact CB-CE1 3.6Å; L41-Y43 HydrophobicContact CD1-CE1 3.81Å; L41-Y43 HydrophobicContact CG-CE1 4.27Å; L41-Y43 PolarHBondContact O-N 3.48Å; Y43-H45 PolarHBondContact O-N 2.87Å; Y43-I46 WeakPolarHBondContact O-CB 3.21Å; Y43-I46 PolarHBondContact O-N 3.33Å; Y43-I47 HydrophobicContact CD2-CG2 4.19Å; Y43-I47 HydrophobicContact CE2-CG2 4.18Å
44F92.9Very high84.2Confident56 Ų56101.2 Ų101.225%0.24652%0.521CS..Hα-helixtrans-52.4-41.3179.3-175.4-103.7000113.4M35 A38 I39 I46 I47 A48M35-F44 HydrophobicContact CB-CD2 4.47Å; M35-F44 HydrophobicContact CB-CE2 4.06Å; M35-F44 HydrophobicContact CG-CE2 3.93Å; M35-F44 HydrophobicContact SD-CE2 4.17Å; A38-F44 HydrophobicContact CB-CB 4.15Å; A38-F44 HydrophobicContact CB-CD2 4.2Å; A38-F44 PolarHBondContact O-N 3.17Å; A38-F44 VanDerWaalsContact O-N 3.11Å; I39-F44 HydrophobicContact CD1-CD2 4.19Å; I39-F44 HydrophobicContact CD1-CE2 4.42Å; I39-F44 HydrophobicContact CD1-CG 4.45Å; I39-F44 HydrophobicContact CG1-CB 3.75Å; I39-F44 HydrophobicContact CG1-CD1 4.35Å; I39-F44 HydrophobicContact CG1-CD2 3.68Å; I39-F44 HydrophobicContact CG1-CE2 4.38Å; I39-F44 HydrophobicContact CG1-CG 3.66Å; F44-I46 PolarHBondContact O-N 3.43Å; F44-I47 HydrophobicContact CD2-CD1 4.05Å; F44-I47 HydrophobicContact CD2-CG1 4.18Å; F44-I47 HydrophobicContact CE2-CD1 4.5Å; F44-I47 WeakPolarHBondContact O-CG1 3.33Å; F44-I47 PolarHBondContact O-N 2.88Å; F44-A48 HydrophobicContact CE1-CB 3.93Å; F44-A48 HydrophobicContact CE2-CB 3.97Å; F44-A48 HydrophobicContact CZ-CB 3.62Å; F44-A48 PolarHBondContact O-N 3.04Å
45H89Confident82.2Confident126 Ų126105.3 Ų105.358%0.58354%0.539SS*.Hα-helixtrans-57.3-17.9176.267.2-84.3000114.9G42 Y43G42-H45 PolarHBondContact O-CE1 3.48Å; G42-H45 PolarHBondContact O-ND1 3.14Å; G42-H45 VanDerWaalsContact O-ND1 3.14Å; Y43-H45 PolarHBondContact O-N 2.87Å
46I88.4Confident79.8Confident121 Ų121105.4 Ų105.462%0.62155%0.548SS*.Hα-helixtrans-85.8-37.9177.3-52.9-176.7000110.9Y43 F44Y43-I46 WeakPolarHBondContact O-CB 3.21Å; Y43-I46 PolarHBondContact O-N 3.33Å; F44-I46 PolarHBondContact O-N 3.43Å
47I86.8Confident77.5Confident83 Ų83107.4 Ų107.443%0.42656%0.563SS.*Hα-helixtrans-88.7-29.4-175.759.8163.1000112.9A38 Y43 F44A38-I47 HydrophobicContact CB-CD1 3.34Å; A38-I47 HydrophobicContact CB-CG1 4.04Å; Y43-I47 HydrophobicContact CD2-CG2 4.19Å; Y43-I47 HydrophobicContact CE2-CG2 4.18Å; F44-I47 HydrophobicContact CD2-CD1 4.05Å; F44-I47 HydrophobicContact CD2-CG1 4.18Å; F44-I47 HydrophobicContact CE2-CD1 4.5Å; F44-I47 WeakPolarHBondContact O-CG1 3.33Å; F44-I47 PolarHBondContact O-N 2.88Å
48A85.5Confident74.9Confident35 Ų35107.3 Ų107.329%0.28957%0.574SS.*SBendtrans-131.678.7178.700000108.1F44 E50F44-A48 HydrophobicContact CE1-CB 3.93Å; F44-A48 HydrophobicContact CE2-CB 3.97Å; F44-A48 HydrophobicContact CZ-CB 3.62Å; F44-A48 PolarHBondContact O-N 3.04Å; A48-E50 PolarHBondContact O-N 3.3Å
49P78.3Confident72.5Confident93 Ų93115.8 Ų115.860%0.60462%0.618SS**  trans-64.3127.5175.427.2-32.6000108.7Q51P49-Q51 PolarHBondContact O-N 3.39Å; P49-Q51 VanDerWaalsContact O-N 3.09Å
50E71.2Confident70Confident163 Ų163114.1 Ų114.176%0.76263%0.627SS**  trans-48.7119.6171.3-66.1-66.3147.500108.8A48 N52A48-E50 PolarHBondContact O-N 3.3Å; E50-N52 PolarHBondContact O-N 3.12Å
51Q62.5Low67.4Low184 Ų184114.3 Ų114.386%0.8664%0.636SS**  trans-63.9109.8171-70.7-176.8-21.400106.3P49 P53P49-Q51 PolarHBondContact O-N 3.39Å; P49-Q51 VanDerWaalsContact O-N 3.09Å; Q51-P53 WeakPolarHBondContact O-CD 3.17Å; Q51-P53 VanDerWaalsContact O-N 3.12Å
52N51.2Low64.7Low115 Ų115112.9 Ų112.962%0.61565%0.648SS**  trans-54.6122.6172.8-93.1-74.2000107.8E50 N54E50-N52 PolarHBondContact O-N 3.12Å; N52-N54 PolarHBondContact O-N 3.11Å
53P58.8Low62.6Low110 Ų110115.7 Ų115.771%0.71466%0.66SS**THydrogen-bonded Turntrans-67.38-178.426.3-34000113.8Q51Q51-P53 WeakPolarHBondContact O-CD 3.17Å; Q51-P53 VanDerWaalsContact O-N 3.12Å
54N51.9Low60.1Low142 Ų142118.1 Ų118.176%0.75969%0.685SS**THydrogen-bonded Turntrans-97.716.5-178.3-61.5-44.2000113.8N52N52-N54 PolarHBondContact O-N 3.11Å
55L53.9Low57.9Low151 Ų151122.4 Ų122.479%0.79171%0.711SS**  trans-119.128.2174.1-94.4134.2000112.1D57L55-D57 PolarHBondContact O-N 2.87Å
56S43.4Very low55.9Low88 Ų88122.8 Ų122.862%0.61573%0.728SS**  trans-59.2134166.757.30000109.8
57D49Very low53.9Low148 Ų148119.3 Ų119.379%0.79172%0.722SS**SBendtrans96.335.4159-46-28.6000120.2L55L55-D57 PolarHBondContact O-N 2.87Å
58N42.2Very low52.2Low152 Ų152119.6 Ų119.681%0.81373%0.731SS**  trans-154.729.8165.2-130.8-6.9000121.2
59L46.3Very low50.3Low177 Ų177121.6 Ų121.693%0.92776%0.756SS**  trans-119.376.3173.4-89.684.1000112.6
60G43Very low49.1Very low73 Ų73127.1 Ų127.175%0.75376%0.764SS**  trans-83132.2149.700000109.6
61N41.9Very low48.1Very low168 Ų168125.7 Ų125.790%0.89876%0.762SS**SBendtrans75103.8158.2-126.746000118.4
62G38.6Very low47.8Very low80 Ų80123.9 Ų123.983%0.82577%0.766SS**  trans40.887.5137.800000117.9
63S47.6Very low47.6Very low107 Ų107122.1 Ų122.175%0.74876%0.763SS**  trans-156.3121.9145.8-156.10000109.5
64S40.7Very low47.3Very low108 Ų108126.1 Ų126.176%0.75577%0.769SS**  trans-26.9146.3145.5480000111.9
65N46Very low47.3Very low147 Ų147125.4 Ų125.479%0.78677%0.77SS**  trans100.666.9170.7-147.452.4000114.9G67N65-G67 PolarHBondContact O-N 3.02Å
66S47.7Very low47.7Very low133 Ų133121.2 Ų121.293%0.9376%0.757SS**  trans-73.255.7147.8-53.50000109.8S68S66-S68 VanDerWaalsContact C-N 3.26Å; S66-S68 PolarHBondContact O-N 3.38Å
67G46.3Very low49.5Very low48 Ų48120.6 Ų120.650%0.49575%0.753SS.*  trans-65.797.6155.200000105.5N65 G69N65-G67 PolarHBondContact O-N 3.02Å; G67-G69 PolarHBondContact O-N 2.96Å
68S50.6Low51.2Low89 Ų89116.3 Ų116.362%0.62273%0.734SS**  trans-51.1102.4160.7-176.50000105.4S66 R70S66-S68 VanDerWaalsContact C-N 3.26Å; S66-S68 PolarHBondContact O-N 3.38Å; S68-R70 PolarHBondContact O-N 3Å
69G44.9Very low53.4Low78 Ų78111 Ų11180%0.80471%0.708SS**  trans-64.571.6174.300000108.3G67G67-G69 PolarHBondContact O-N 2.96Å
70R53.4Low55.6Low209 Ų209110.3 Ų110.379%0.78969%0.693SS**  trans-82.6112.6162-63.5-177.3173.2-154.5-4.2103.6S68 P72S68-R70 PolarHBondContact O-N 3Å; R70-P72 VanDerWaalsContact O-N 3.17Å
71D51.1Low57.9Low133 Ų133106.9 Ų106.971%0.71166%0.657SS**  trans-38.4124169-72.2-75.4000110S73D71-S73 PolarHBondContact O-N 3.21Å
72P54.7Low60.1Low145 Ų145102.3 Ų102.394%0.94265%0.65SS**SBendtrans-69.39.7175.527.8-33.6000112.6R70R70-P72 VanDerWaalsContact O-N 3.17Å
73S48.8Very low62.5Low78 Ų78104.8 Ų104.855%0.54564%0.638SS.*SBendtrans-121.2128.1-179.292.50000109.7D71D71-S73 PolarHBondContact O-N 3.21Å
74K51.1Low64.6Low195 Ų195102.2 Ų102.285%0.84862%0.619SS**SBendtrans64.879.6-179.6-61.9167.9167.4179.40113.1
75T53.3Low66.9Low126 Ų126102.3 Ų102.377%0.77361%0.612SS**  -167.9129.684.539.30000106S77T75-S77 PolarHBondContact O-N 2.84Å
76A62Low69Low64 Ų6498.4 Ų98.453%0.52960%0.595SS.*  trans-54.8109.9164.400000106.4C78A76-C78 PolarHBondContact O-N 3.18Å; A76-C78 PolarHBondContact O-SG 2.93Å
77S80Confident71.2Confident75 Ų7595.9 Ų95.952%0.52457%0.568SS.*  trans-6697.9-169.745.40000109.1T75 A90T75-S77 PolarHBondContact O-N 2.84Å; S77-A90 WeakPolarHBondContact O-CA 3.16Å; S77-A90 WeakPolarHBondContact O-CB 3.38Å; S77-A90 PolarHBondContact O-N 2.98Å; S77-A90 WeakPolarHBondContact OG-CB 3.42Å
78C86.1Confident73.3Confident58 Ų5894.4 Ų94.439%0.39255%0.549SS..EExtended strand (participates in β ladder)trans-76.2130.9173.3-46.80000107.3A76 V88 C204A76-C78 PolarHBondContact O-N 3.18Å; A76-C78 PolarHBondContact O-SG 2.93Å; C78-V88 CarbonylContact C-O 3.58Å; C78-V88 WeakPolarHBondContact CA-O 3.29Å; C78-C204 HydrophobicContact CB-CB 4.47Å; C78-C204 WeakPolarHBondContact CB-SG 3.12Å; C78-C204 WeakPolarHBondContact SG-CB 3.48Å; C78-C204 CovalentContact SG-SG 2.12Å; C78-C204 PolarHBondContact SG-SG 3.48Å
79C88.4Confident75.4Confident41 Ų4191.3 Ų91.328%0.27753%0.529SS..EExtended strand (participates in β ladder)trans-118.8153.9176.258.20000109.8K87 V88 Y93C79-K87 CarbonylContact O-C 3.57Å; C79-K87 WeakPolarHBondContact O-CA 3.31Å; C79-V88 PolarHBondContact N-O 2.71Å; C79-V88 PolarHBondContact O-N 3.11Å; C79-V88 PolarHBondContact SG-O 3.14Å; C79-Y93 WeakPolarHBondContact SG-CD2 3.47Å; C79-Y93 VanDerWaalsContact SG-CG 3.52Å
80R91.1Very high77.6Confident162 Ų16289.8 Ų89.861%0.61151%0.508SS*.EExtended strand (participates in β ladder)trans-95130176.6-72.8-176.5-171.2-103.18110.3G82 C86 K87R80-G82 PolarHBondContact O-N 3Å; R80-C86 WeakPolarHBondContact CA-O 3.27Å; R80-K87 HydrophobicContact CG-CG 4.22Å
81C91.4Very high79.4Confident0 Ų086 Ų860%051%0.509CS..  trans-70.1123.8173.3178.80000110.9K83 N85 C86 Y93 H96C81-K83 PolarHBondContact O-N 2.84Å; C81-K83 VanDerWaalsContact O-N 3.11Å; C81-K83 PolarHBondContact SG-N 3.09Å; C81-K83 VanDerWaalsContact SG-N 3.4Å; C81-N85 WeakPolarHBondContact O-CA 3.33Å; C81-N85 PolarHBondContact O-N 3.31Å; C81-C86 PolarHBondContact N-O 3.44Å; C81-Y93 HydrophobicContact CB-CE2 4.11Å; C81-H96 VanDerWaalsContact CB-NE2 3.27Å; C81-H96 WeakPolarHBondContact CB-NE2 3.48Å; C81-H96 PolarHBondContact SG-NE2 3.26Å
82G87.7Confident81.4Confident72 Ų7287.8 Ų87.874%0.74251%0.506SS*.THydrogen-bonded Turntrans-64.6-14177.800000115.4R80R80-G82 PolarHBondContact O-N 3Å
83K89.3Confident83.2Confident132 Ų13284.1 Ų84.157%0.57447%0.473SS*.THydrogen-bonded Turntrans-92.6-46.5179.6-174.1177-179.6-168.30113.5C81 C100C81-K83 PolarHBondContact O-N 2.84Å; C81-K83 VanDerWaalsContact O-N 3.11Å; C81-K83 PolarHBondContact SG-N 3.09Å; C81-K83 VanDerWaalsContact SG-N 3.4Å; K83-C100 WeakPolarHBondContact CD-O 3.47Å; K83-C100 WeakPolarHBondContact CE-O 3.46Å; K83-C100 PolarHBondContact NZ-O 3.17Å
84C92.1Very high85.2Confident53 Ų5384 Ų8436%0.35848%0.477SS..THydrogen-bonded Turntrans-114.40.9-177.169.90000113.9C86 H96 C100C84-C86 PolarHBondContact O-N 2.93Å; C84-H96 PolarHBondContact SG-CE1 2.99Å; C84-H96 PolarHBondContact SG-NE2 3.39Å; C84-C100 VanDerWaalsContact SG-SG 3.6Å
85N89.7Confident87.1Confident111 Ų11179.1 Ų79.159%0.59446%0.464SS*.  trans58.39.6-179.6-64.9-50.8000116.3C81C81-N85 WeakPolarHBondContact O-CA 3.33Å; C81-N85 PolarHBondContact O-N 3.31Å
86C89.9Confident89Confident65 Ų6575.2 Ų75.244%0.43944%0.436SS..  trans-67.1140.8175.6-63.90000111.2R80 C81 C84 V88R80-C86 WeakPolarHBondContact CA-O 3.27Å; C81-C86 PolarHBondContact N-O 3.44Å; C84-C86 PolarHBondContact O-N 2.93Å; C86-V88 HydrophobicContact CB-CG2 4.34Å
87K92.8Very high90.4Very high80 Ų8074.5 Ų74.535%0.34842%0.423SS..EExtended strand (participates in β ladder)trans-72.5128166-69.5179178.9175.20108.9C79 R80 D206C79-K87 CarbonylContact O-C 3.57Å; C79-K87 WeakPolarHBondContact O-CA 3.31Å; R80-K87 HydrophobicContact CG-CG 4.22Å; K87-D206 IonicContact NZ-OD1 2.64Å; K87-D206 PolarHBondContact NZ-OD1 3.31Å
88V92.1Very high90.8Very high16 Ų1673 Ų7310%0.09741%0.413CS..EExtended strand (participates in β ladder)trans-136131.5-176.3-173.50000108.5C78 C79 C86 A90 R92 Y93 H96C78-V88 CarbonylContact C-O 3.58Å; C78-V88 WeakPolarHBondContact CA-O 3.29Å; C79-V88 PolarHBondContact N-O 2.71Å; C79-V88 PolarHBondContact O-N 3.11Å; C79-V88 PolarHBondContact SG-O 3.14Å; C86-V88 HydrophobicContact CB-CG2 4.34Å; V88-A90 PolarHBondContact O-N 3.44Å; V88-R92 HydrophobicContact CG1-CB 4.15Å; V88-Y93 HydrophobicContact CB-CD2 4.11Å; V88-Y93 HydrophobicContact CG1-CD2 4.28Å; V88-H96 HydrophobicContact CG1-CB 3.81Å; V88-H96 HydrophobicContact CG2-CB 4.28Å
89A93.4Very high90.9Very high25 Ų2573.9 Ų73.921%0.20741%0.414CS..EExtended strand (participates in β ladder)trans-57.5137.6171.700000110.5T91 R92 Y93A89-T91 PolarHBondContact O-N 2.93Å; A89-T91 VanDerWaalsContact O-N 3.14Å; A89-R92 CarbonylContact O-C 3.54Å; A89-R92 WeakPolarHBondContact O-CA 3.44Å; A89-R92 PolarHBondContact O-N 3.38Å; A89-Y93 PolarHBondContact O-N 3.19Å; A89-Y93 VanDerWaalsContact O-N 3.15Å
90A91.5Very high90.9Very high45 Ų4573.1 Ų73.137%0.37241%0.409SS..G310 helixtrans-54.2-38.2-177.800000112.2S77 V88 R92 Y93S77-A90 WeakPolarHBondContact O-CA 3.16Å; S77-A90 WeakPolarHBondContact O-CB 3.38Å; S77-A90 PolarHBondContact O-N 2.98Å; S77-A90 WeakPolarHBondContact OG-CB 3.42Å; V88-A90 PolarHBondContact O-N 3.44Å; A90-R92 PolarHBondContact O-N 3.3Å; A90-Y93 WeakPolarHBondContact O-CB 3.49Å; A90-Y93 PolarHBondContact O-N 2.83Å
91T92Very high90.7Very high131 Ų13170 Ų7080%0.80440%0.402SS*.G310 helixtrans-60.7-24.7176.355.20000113.8A89A89-T91 PolarHBondContact O-N 2.93Å; A89-T91 VanDerWaalsContact O-N 3.14Å
92R92Very high90.2Very high170 Ų17071.9 Ų71.964%0.64242%0.422SS*.G310 helixtrans-105.9-1.4-179.3-63.7-179.3179.5-98.42.1113.1V88 A89 A90 A94 V95 H96V88-R92 HydrophobicContact CG1-CB 4.15Å; A89-R92 CarbonylContact O-C 3.54Å; A89-R92 WeakPolarHBondContact O-CA 3.44Å; A89-R92 PolarHBondContact O-N 3.38Å; A90-R92 PolarHBondContact O-N 3.3Å; R92-A94 PolarHBondContact O-N 3.32Å; R92-V95 PolarHBondContact O-N 3.18Å; R92-H96 WeakPolarHBondContact O-CB 3.48Å; R92-H96 PolarHBondContact O-N 3.38Å
93Y93.4Very high89.5Confident67 Ų6775.2 Ų75.226%0.26342%0.422SS..Hα-helixtrans-63.1-40.6-171.7-167.5-119.6000112.8C79 C81 V88 A89 A90 H96 L97C79-Y93 WeakPolarHBondContact SG-CD2 3.47Å; C79-Y93 VanDerWaalsContact SG-CG 3.52Å; C81-Y93 HydrophobicContact CB-CE2 4.11Å; V88-Y93 HydrophobicContact CB-CD2 4.11Å; V88-Y93 HydrophobicContact CG1-CD2 4.28Å; A89-Y93 PolarHBondContact O-N 3.19Å; A89-Y93 VanDerWaalsContact O-N 3.15Å; A90-Y93 WeakPolarHBondContact O-CB 3.49Å; A90-Y93 PolarHBondContact O-N 2.83Å; Y93-H96 WeakPolarHBondContact O-CB 3.25Å; Y93-H96 PolarHBondContact O-N 3.3Å; Y93-L97 HydrophobicContact CD1-CD1 3.67Å; Y93-L97 HydrophobicContact CD1-CG 4.12Å; Y93-L97 HydrophobicContact CE1-CD1 3.39Å; Y93-L97 HydrophobicContact CE1-CD2 4.25Å; Y93-L97 HydrophobicContact CE1-CG 3.86Å; Y93-L97 HydrophobicContact CE2-CD2 4.36Å; Y93-L97 HydrophobicContact CE2-CG 4.27Å; Y93-L97 HydrophobicContact CG-CD1 4.44Å; Y93-L97 HydrophobicContact CG-CG 4.45Å; Y93-L97 WeakPolarHBondContact O-CB 3.41Å; Y93-L97 WeakPolarHBondContact O-CG 3.36Å; Y93-L97 PolarHBondContact O-N 2.81Å
94A91Very high88.5Confident75 Ų7569.8 Ų69.862%0.6240%0.403SS*.Hα-helixtrans-62.9-44.1177.500000112.9R92 H96 L97 S98R92-A94 PolarHBondContact O-N 3.32Å; A94-H96 VanDerWaalsContact C-N 3.34Å; A94-L97 PolarHBondContact O-N 2.75Å; A94-S98 PolarHBondContact O-N 3.39Å; A94-S98 VanDerWaalsContact O-N 3.12Å; A94-S98 PolarHBondContact O-OG 2.92Å
95V90.2Very high87.5Confident94 Ų9476.7 Ų76.757%0.5742%0.422SS*.Hα-helixtrans-66.3-39.6176.3-179.50000110.5R92 S98 N99R92-V95 PolarHBondContact O-N 3.18Å; V95-S98 PolarHBondContact O-OG 3.47Å; V95-N99 PolarHBondContact O-N 2.82Å; V95-N99 PolarHBondContact O-ND2 3.11Å
96H92.5Very high86.6Confident43 Ų4374.5 Ų74.520%0.19941%0.41CS..Hα-helixtrans-61.6-49.917417480.5000111.7C81 C84 V88 R92 Y93 A94 S98 N99 C100C81-H96 VanDerWaalsContact CB-NE2 3.27Å; C81-H96 WeakPolarHBondContact CB-NE2 3.48Å; C81-H96 PolarHBondContact SG-NE2 3.26Å; C84-H96 PolarHBondContact SG-CE1 2.99Å; C84-H96 PolarHBondContact SG-NE2 3.39Å; V88-H96 HydrophobicContact CG1-CB 3.81Å; V88-H96 HydrophobicContact CG2-CB 4.28Å; R92-H96 WeakPolarHBondContact O-CB 3.48Å; R92-H96 PolarHBondContact O-N 3.38Å; Y93-H96 WeakPolarHBondContact O-CB 3.25Å; Y93-H96 PolarHBondContact O-N 3.3Å; A94-H96 VanDerWaalsContact C-N 3.34Å; H96-S98 PolarHBondContact O-N 3.28Å; H96-N99 PolarHBondContact O-N 2.99Å; H96-C100 WeakPolarHBondContact O-CB 3.45Å; H96-C100 PolarHBondContact O-N 3.43Å
97L91Very high86.1Confident50 Ų5075.6 Ų75.626%0.26242%0.419SS..Hα-helixtrans-58-44.5-178.5-81.1178.8000112.4Y93 A94 N99 C100 M101Y93-L97 HydrophobicContact CD1-CD1 3.67Å; Y93-L97 HydrophobicContact CD1-CG 4.12Å; Y93-L97 HydrophobicContact CE1-CD1 3.39Å; Y93-L97 HydrophobicContact CE1-CD2 4.25Å; Y93-L97 HydrophobicContact CE1-CG 3.86Å; Y93-L97 HydrophobicContact CE2-CD2 4.36Å; Y93-L97 HydrophobicContact CE2-CG 4.27Å; Y93-L97 HydrophobicContact CG-CD1 4.44Å; Y93-L97 HydrophobicContact CG-CG 4.45Å; Y93-L97 WeakPolarHBondContact O-CB 3.41Å; Y93-L97 WeakPolarHBondContact O-CG 3.36Å; Y93-L97 PolarHBondContact O-N 2.81Å; A94-L97 PolarHBondContact O-N 2.75Å; L97-N99 VanDerWaalsContact C-N 3.32Å; L97-N99 PolarHBondContact O-N 3.01Å; L97-C100 PolarHBondContact O-N 3.15Å; L97-M101 HydrophobicContact CB-CE 4.22Å; L97-M101 VanDerWaalsContact O-CB 3.29Å; L97-M101 WeakPolarHBondContact O-CB 3.19Å; L97-M101 VanDerWaalsContact O-CG 3.31Å; L97-M101 WeakPolarHBondContact O-CG 3.33Å; L97-M101 PolarHBondContact O-N 3.23Å
98S88.5Confident85.5Confident43 Ų4374.8 Ų74.830%0.30142%0.423SS..Hα-helixtrans-59.5-43.3177.860.60000112A94 V95 H96 G102 L103 G104A94-S98 PolarHBondContact O-N 3.39Å; A94-S98 VanDerWaalsContact O-N 3.12Å; A94-S98 PolarHBondContact O-OG 2.92Å; V95-S98 PolarHBondContact O-OG 3.47Å; H96-S98 PolarHBondContact O-N 3.28Å; S98-G102 PolarHBondContact O-N 3.09Å; S98-L103 CarbonylContact O-C 3.54Å; S98-L103 PolarHBondContact O-N 3.45Å; S98-G104 PolarHBondContact O-N 2.76Å
99N88.9Confident85Confident76 Ų7682.4 Ų82.441%0.40645%0.45SS..Hα-helixtrans-72-40.6177-69.8-32.8000112.8V95 H96 L97 G102V95-N99 PolarHBondContact O-N 2.82Å; V95-N99 PolarHBondContact O-ND2 3.11Å; H96-N99 PolarHBondContact O-N 2.99Å; L97-N99 VanDerWaalsContact C-N 3.32Å; L97-N99 PolarHBondContact O-N 3.01Å; N99-G102 PolarHBondContact O-N 3.14Å
100C89.2Confident84.4Confident26 Ų2688.9 Ų88.918%0.17647%0.469CS..Hα-helixtrans-69.2-41-177.6-170.60000111.2K83 C84 H96 L97 G102K83-C100 WeakPolarHBondContact CD-O 3.47Å; K83-C100 WeakPolarHBondContact CE-O 3.46Å; K83-C100 PolarHBondContact NZ-O 3.17Å; C84-C100 VanDerWaalsContact SG-SG 3.6Å; H96-C100 WeakPolarHBondContact O-CB 3.45Å; H96-C100 PolarHBondContact O-N 3.43Å; L97-C100 PolarHBondContact O-N 3.15Å; C100-G102 PolarHBondContact O-N 3.45Å
101M86.5Confident84Confident96 Ų9688.7 Ų88.747%0.47347%0.467SS..THydrogen-bonded Turntrans-72.3-9.6173.8-66.1-171-61.100113.2L97 L103L97-M101 HydrophobicContact CB-CE 4.22Å; L97-M101 VanDerWaalsContact O-CB 3.29Å; L97-M101 WeakPolarHBondContact O-CB 3.19Å; L97-M101 VanDerWaalsContact O-CG 3.31Å; L97-M101 WeakPolarHBondContact O-CG 3.33Å; L97-M101 PolarHBondContact O-N 3.23Å; M101-L103 VanDerWaalsContact C-N 3.29Å; M101-L103 HydrophobicContact CB-CD1 4.4Å; M101-L103 HydrophobicContact CB-CG 4.21Å; M101-L103 HydrophobicContact CE-CD1 3.99Å
102G81.3Confident83.8Confident40 Ų4087.1 Ų87.141%0.41245%0.454SS..THydrogen-bonded Turntrans79.610.3-179.800000114S98 N99 C100 G104S98-G102 PolarHBondContact O-N 3.09Å; N99-G102 PolarHBondContact O-N 3.14Å; C100-G102 PolarHBondContact O-N 3.45Å; G102-G104 VanDerWaalsContact C-N 3.26Å
103L72.6Confident83.6Confident142 Ų14286.2 Ų86.274%0.74346%0.455SS*.  trans-80.3-11.4174-58.6178.6000112.3S98 M101S98-L103 CarbonylContact O-C 3.54Å; S98-L103 PolarHBondContact O-N 3.45Å; M101-L103 VanDerWaalsContact C-N 3.29Å; M101-L103 HydrophobicContact CB-CD1 4.4Å; M101-L103 HydrophobicContact CB-CG 4.21Å; M101-L103 HydrophobicContact CE-CD1 3.99Å
104G68.1Low83.4Confident18 Ų1891.5 Ų91.519%0.18647%0.474CS..SBendtrans-86.4-174.4173.800000113.5S98 G102 N106S98-G104 PolarHBondContact O-N 2.76Å; G102-G104 VanDerWaalsContact C-N 3.26Å; G104-N106 PolarHBondContact O-N 3.01Å
105R71.2Confident83.3Confident198 Ų19892 Ų9275%0.74747%0.466SS*.THydrogen-bonded Turntrans-6218.7-176.6-60.3176.7170.9117.6-4.8115.6R109R105-R109 VanDerWaalsContact O-CG 3.27Å; R105-R109 WeakPolarHBondContact O-CG 3.31Å; R105-R109 PolarHBondContact O-N 2.77Å; R105-R109 VanDerWaalsContact O-N 3.11Å
106N70.7Confident83.2Confident64 Ų6490 Ų9034%0.34246%0.458SS..Hα-helixtrans-74-39.2-177.4-151.2-42.9000111.9G104 R109 R110G104-N106 PolarHBondContact O-N 3.01Å; N106-R109 PolarHBondContact O-N 2.83Å; N106-R110 WeakPolarHBondContact O-CB 3.38Å; N106-R110 WeakPolarHBondContact O-CG 3.34Å; N106-R110 PolarHBondContact O-N 2.87Å; N106-R110 PolarHBondContact OD1-NE 2.77Å
107S78.3Confident83Confident89 Ų8993.3 Ų93.362%0.62247%0.474SS*.Hα-helixtrans-60.6-46.2175.256.50000111.7R110 A111S107-R110 PolarHBondContact O-N 3.22Å; S107-A111 VanDerWaalsContact O-CB 3.31Å; S107-A111 WeakPolarHBondContact O-CB 3.4Å; S107-A111 PolarHBondContact O-N 3.34Å
108S81Confident82.8Confident62 Ų6296.3 Ų96.343%0.43449%0.487SS..Hα-helixtrans-61.2-46.5174.9168.80000112.1R110 A111 N112S108-R110 PolarHBondContact O-N 3.5Å; S108-A111 PolarHBondContact O-N 3.49Å; S108-N112 VanDerWaalsContact O-CG 3.3Å; S108-N112 PolarHBondContact O-N 3.34Å; S108-N112 PolarHBondContact O-OD1 3.49Å
109R81Confident82.7Confident177 Ų17799.5 Ų99.567%0.66850%0.497SS*.Hα-helixtrans-61.6-42.4176.3-72.8176.6-169.6-85.53.4112.1R105 N106 N112 K113R105-R109 VanDerWaalsContact O-CG 3.27Å; R105-R109 WeakPolarHBondContact O-CG 3.31Å; R105-R109 PolarHBondContact O-N 2.77Å; R105-R109 VanDerWaalsContact O-N 3.11Å; N106-R109 PolarHBondContact O-N 2.83Å; R109-N112 PolarHBondContact O-N 2.81Å; R109-K113 PolarHBondContact O-N 3.34Å
110R82.4Confident82.3Confident161 Ų161105.7 Ų105.761%0.60852%0.515SS*.Hα-helixtrans-66.7-38.2176.5-74.4-178.2177.7-127.7-1.7112N106 S107 S108 K113 R114N106-R110 WeakPolarHBondContact O-CB 3.38Å; N106-R110 WeakPolarHBondContact O-CG 3.34Å; N106-R110 PolarHBondContact O-N 2.87Å; N106-R110 PolarHBondContact OD1-NE 2.77Å; S107-R110 PolarHBondContact O-N 3.22Å; S108-R110 PolarHBondContact O-N 3.5Å; R110-K113 PolarHBondContact O-N 3.31Å; R110-R114 WeakPolarHBondContact O-CG 3.37Å; R110-R114 PolarHBondContact O-N 2.95Å; R110-R114 VanDerWaalsContact O-N 3.15Å
111A83.3Confident81.8Confident41 Ų41109.8 Ų109.834%0.33953%0.534SS..Hα-helixtrans-64-47.9174.900000111.2S107 S108 K113 R114 I115S107-A111 VanDerWaalsContact O-CB 3.31Å; S107-A111 WeakPolarHBondContact O-CB 3.4Å; S107-A111 PolarHBondContact O-N 3.34Å; S108-A111 PolarHBondContact O-N 3.49Å; A111-K113 VanDerWaalsContact C-N 3.3Å; A111-K113 PolarHBondContact O-N 2.89Å; A111-R114 WeakPolarHBondContact O-CB 3.39Å; A111-R114 PolarHBondContact O-N 2.94Å; A111-R114 VanDerWaalsContact O-N 3.1Å; A111-I115 WeakPolarHBondContact O-CG1 3.39Å; A111-I115 PolarHBondContact O-N 3.1Å
112N86.6Confident81.4Confident97 Ų97111 Ų11152%0.51954%0.539SS..Hα-helixtrans-61.4-38.5178.2-69.34.4000112.2S108 R109 I115 A116S108-N112 VanDerWaalsContact O-CG 3.3Å; S108-N112 PolarHBondContact O-N 3.34Å; S108-N112 PolarHBondContact O-OD1 3.49Å; R109-N112 PolarHBondContact O-N 2.81Å; N112-I115 PolarHBondContact O-N 3.27Å; N112-A116 WeakPolarHBondContact O-CB 3.27Å; N112-A116 PolarHBondContact O-N 3.15Å
113K88.5Confident81Confident152 Ų152115.2 Ų115.266%0.66155%0.552SS**Hα-helixtrans-61.7-43.6174.6-172.3178.7178.3-175.20111.6R109 R110 A111 A116 E117R109-K113 PolarHBondContact O-N 3.34Å; R110-K113 PolarHBondContact O-N 3.31Å; A111-K113 VanDerWaalsContact C-N 3.3Å; A111-K113 PolarHBondContact O-N 2.89Å; K113-A116 PolarHBondContact O-N 3.44Å; K113-E117 WeakPolarHBondContact O-CB 3.1Å; K113-E117 PolarHBondContact O-N 3.34Å
114R89.2Confident80.7Confident177 Ų177115 Ų11567%0.66855%0.551SS**Hα-helixtrans-63.2-41.6176.5-70.2173.4-177.7-178.5-1.5111.9R110 A111 E117 Q118R110-R114 WeakPolarHBondContact O-CG 3.37Å; R110-R114 PolarHBondContact O-N 2.95Å; R110-R114 VanDerWaalsContact O-N 3.15Å; A111-R114 WeakPolarHBondContact O-CB 3.39Å; A111-R114 PolarHBondContact O-N 2.94Å; A111-R114 VanDerWaalsContact O-N 3.1Å; R114-E117 PolarHBondContact O-N 3.18Å; R114-Q118 VanDerWaalsContact O-CB 3.32Å; R114-Q118 WeakPolarHBondContact O-CB 3.47Å; R114-Q118 PolarHBondContact O-N 2.73Å
115I88.3Confident80.6Confident87 Ų87121 Ų12145%0.44658%0.579SS.*Hα-helixtrans-62.6-47177-65.1165.1000110.5A111 N112 E117 Q118 Q119A111-I115 WeakPolarHBondContact O-CG1 3.39Å; A111-I115 PolarHBondContact O-N 3.1Å; N112-I115 PolarHBondContact O-N 3.27Å; I115-E117 PolarHBondContact O-N 3.06Å; I115-Q118 PolarHBondContact O-N 3.29Å; I115-Q119 WeakPolarHBondContact O-CG 3.38Å; I115-Q119 PolarHBondContact O-N 3.39Å
116A88.7Confident80.2Confident50 Ų50116 Ų11641%0.41357%0.571SS.*Hα-helixtrans-66.3-36.1179.700000113.1N112 K113 R120N112-A116 WeakPolarHBondContact O-CB 3.27Å; N112-A116 PolarHBondContact O-N 3.15Å; K113-A116 PolarHBondContact O-N 3.44Å; A116-R120 PolarHBondContact O-N 2.85Å; A116-R120 VanDerWaalsContact O-N 3.16Å
117E88.2Confident79.6Confident114 Ų114121.3 Ų121.353%0.53359%0.594SS.*Hα-helixtrans-69.2-39.2174.9-173.3171.1-168.500111.5K113 R114 I115 R120 L121K113-E117 WeakPolarHBondContact O-CB 3.1Å; K113-E117 PolarHBondContact O-N 3.34Å; R114-E117 PolarHBondContact O-N 3.18Å; I115-E117 PolarHBondContact O-N 3.06Å; E117-R120 PolarHBondContact O-N 3.42Å; E117-L121 WeakPolarHBondContact O-CG 3.38Å; E117-L121 PolarHBondContact O-N 2.78Å
118Q86.3Confident78.5Confident112 Ų112123.8 Ų123.852%0.52361%0.605SS.*Hα-helixtrans-64.6-42174.3-172.2178.4-17.300111.7R114 I115 R120 L121 E122R114-Q118 VanDerWaalsContact O-CB 3.32Å; R114-Q118 WeakPolarHBondContact O-CB 3.47Å; R114-Q118 PolarHBondContact O-N 2.73Å; I115-Q118 PolarHBondContact O-N 3.29Å; Q118-R120 VanDerWaalsContact C-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.3Å; Q118-L121 PolarHBondContact O-N 2.96Å; Q118-L121 VanDerWaalsContact O-N 3.17Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.42Å; Q118-E122 PolarHBondContact NE2-OE1 3.4Å; Q118-E122 WeakPolarHBondContact O-CG 3.47Å; Q118-E122 PolarHBondContact O-N 2.78Å
119Q85.7Confident77.3Confident111 Ų111129.1 Ų129.152%0.51962%0.623SS.*Hα-helixtrans-60.8-40.7175.5-75.3178-29.600112.3I115 L121 E122 D123I115-Q119 WeakPolarHBondContact O-CG 3.38Å; I115-Q119 PolarHBondContact O-N 3.39Å; Q119-L121 VanDerWaalsContact C-N 3.28Å; Q119-L121 PolarHBondContact O-N 3.4Å; Q119-E122 PolarHBondContact O-N 3.11Å; Q119-D123 PolarHBondContact O-N 2.12Å
120R82.1Confident76.2Confident205 Ų205129.6 Ų129.677%0.77463%0.633SS**Hα-helixtrans-65.8-28.7176.2-79.5-179.566.21112.4114A116 E117 Q118A116-R120 PolarHBondContact O-N 2.85Å; A116-R120 VanDerWaalsContact O-N 3.16Å; E117-R120 PolarHBondContact O-N 3.42Å; Q118-R120 VanDerWaalsContact C-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.3Å
121L78.7Confident74.5Confident113 Ų113129.6 Ų129.659%0.59265%0.645SS**Hα-helixtrans-78.7-33.2176.7-72160.7000111.2E117 Q118 Q119 D123E117-L121 WeakPolarHBondContact O-CG 3.38Å; E117-L121 PolarHBondContact O-N 2.78Å; Q118-L121 PolarHBondContact O-N 2.96Å; Q118-L121 VanDerWaalsContact O-N 3.17Å; Q119-L121 VanDerWaalsContact C-N 3.28Å; Q119-L121 PolarHBondContact O-N 3.4Å; L121-D123 VanDerWaalsContact C-N 3.27Å; L121-D123 PolarHBondContact O-N 3.44Å
122E77Confident73.1Confident121 Ų121136.9 Ų136.957%0.56567%0.67SS**Hα-helixtrans-70.2-23.2176.5-70.1172-176.300112.6Q118 Q119Q118-E122 WeakPolarHBondContact CG-OE1 3.42Å; Q118-E122 PolarHBondContact NE2-OE1 3.4Å; Q118-E122 WeakPolarHBondContact O-CG 3.47Å; Q118-E122 PolarHBondContact O-N 2.78Å; Q119-E122 PolarHBondContact O-N 3.11Å
123D74.2Confident71.6Confident129 Ų129139 Ų13969%0.6968%0.68SS**THydrogen-bonded Turntrans-86.8-12.5179-69.5-23.6000114.8Q119 L121Q119-D123 PolarHBondContact O-N 2.12Å; L121-D123 VanDerWaalsContact C-N 3.27Å; L121-D123 PolarHBondContact O-N 3.44Å
124D66.3Low69.9Low136 Ų136140.2 Ų140.273%0.72769%0.688SS**THydrogen-bonded Turntrans-93.7-15.1-174.4-158.5-115.7000113.5T126D124-T126 VanDerWaalsContact C-N 3.34Å; D124-T126 PolarHBondContact O-N 2.93Å
125D64.4Low68Low144 Ų144137.1 Ų137.177%0.7769%0.694SS**SBendtrans-89.917.8-172.2-78.1-35.1000114.6
126T62.6Low66.3Low95 Ų95137.7 Ų137.758%0.58371%0.705SS**SBendtrans-130.4135.5174.556.30000109.7D124D124-T126 VanDerWaalsContact C-N 3.34Å; D124-T126 PolarHBondContact O-N 2.93Å
127E59.1Low64.7Low175 Ų175140.8 Ų140.882%0.81872%0.724SS**SBendtrans94.956.3176.3-42.4-48.7141.800117.9
128T54.8Low62.6Low141 Ų141139 Ų13987%0.86574%0.737SS**  trans-159.370145.2-46.50000111.7
129E55.8Low60.7Low174 Ų174141.2 Ų141.281%0.81375%0.752SS**  trans-104.4150.7156.4-60.5-88.7159.300106.2
130E57.9Low59.2Low186 Ų186145 Ų14587%0.86977%0.772SS**SBendtrans70.665.2165.985.6-148.1144.200121.5
131N47.4Very low58Low162 Ų162141.6 Ų141.687%0.86677%0.768SS**  trans-157.679.1136-147.328.5000112.1
132F52.8Low56.2Low193 Ų193140.8 Ų140.885%0.84677%0.772SS**  trans-92.9138.2165.4-153.9-100.3000107.1
133L55.7Low54.9Low143 Ų143144.4 Ų144.475%0.74978%0.781SS**  trans99.1120.4176.4-50.8175.4000115.6
134E52.2Low53.7Low177 Ų177147 Ų14783%0.82779%0.787SS**  trans119.9111.8143.1-156.5136.8-170.700115.8
135S50.8Low52.7Low111 Ų111148 Ų14878%0.77679%0.792SS**  trans72.8140.1162.6-52.90000115.7
136S51.3Low51.9Low99 Ų99146.7 Ų146.769%0.69279%0.794SS**  cis171.8128-5.5163.70000101.8
137S55Low51Low115 Ų115146.6 Ų146.680%0.80480%0.803SS**  trans63.7119.9161.9-590000118
138G44.9Very low50.5Low78 Ų78145 Ų14580%0.80481%0.805SS**  trans-69.9142.7-17800000114
139D47.1Very low49.8Very low158 Ų158143.6 Ų143.685%0.84580%0.801SS**  trans-130.2125.2156.1-85.3-41.1000108.4I141D139-I141 PolarHBondContact O-N 2.92Å
140M54.1Low49.2Very low191 Ų191140.7 Ų140.794%0.94180%0.8SS**  trans-65.6112.2177.2-77.4-101.7-170.600110.2S142M140-S142 PolarHBondContact O-N 2.92Å; M140-S142 VanDerWaalsContact O-N 3.15Å
141I55Low48.5Very low133 Ų133139.6 Ų139.668%0.68280%0.8SS**  trans-7998.6168.3-57.9175.3000108.1D139 Y143D139-I141 PolarHBondContact O-N 2.92Å; I141-Y143 HydrophobicContact CG2-CE1 4.19Å; I141-Y143 PolarHBondContact O-N 3.16Å
142S41.9Very low48.3Very low96 Ų96140.9 Ų140.967%0.67180%0.801SS**  trans-73.8107.6167-178.50000109.3M140 K144M140-S142 PolarHBondContact O-N 2.92Å; M140-S142 VanDerWaalsContact O-N 3.15Å; S142-K144 PolarHBondContact O-N 3.31Å; S142-K144 VanDerWaalsContact O-N 3.08Å
143Y50Low48.3Very low196 Ų196140 Ų14077%0.76980%0.804SS**  trans-68.8102.4168-58.4-80.3000109I141 N145I141-Y143 HydrophobicContact CG2-CE1 4.19Å; I141-Y143 PolarHBondContact O-N 3.16Å; Y143-N145 PolarHBondContact O-N 3.46Å; Y143-N145 VanDerWaalsContact O-N 3.1Å
144K49.2Very low47.5Very low185 Ų185140.8 Ų140.880%0.80480%0.804SS**  trans-72.695.4170.2-68.4179.6176.8176.80108.9S142 S146S142-K144 PolarHBondContact O-N 3.31Å; S142-K144 VanDerWaalsContact O-N 3.08Å; K144-S146 PolarHBondContact O-N 3.47Å
145N45Very low47Very low156 Ų156137 Ų13783%0.83480%0.797SS**  trans-73.7103.5158.6-9530.3000108.3Y143 A147Y143-N145 PolarHBondContact O-N 3.46Å; Y143-N145 VanDerWaalsContact O-N 3.1Å; N145-A147 VanDerWaalsContact C-N 3.33Å; N145-A147 PolarHBondContact O-N 2.96Å
146S47.4Very low46.7Very low116 Ų116140 Ų14081%0.81180%0.796SS**  trans-70.189.1167.9-580000109.3K144K144-S146 PolarHBondContact O-N 3.47Å
147A43.7Very low46.3Very low94 Ų94144.7 Ų144.778%0.77780%0.799SS**  trans-86.6104.7166.400000108.8N145 S149N145-A147 VanDerWaalsContact C-N 3.33Å; N145-A147 PolarHBondContact O-N 2.96Å; A147-S149 PolarHBondContact O-N 3.41Å
148T48.3Very low46.1Very low140 Ų140144.9 Ų144.986%0.85980%0.8SS**  trans-74.3117.2164.149.10000108.7
149S40.4Very low45.8Very low112 Ų112148.9 Ų148.978%0.78380%0.803SS**  trans-74115.6172.449.80000111.5A147A147-S149 PolarHBondContact O-N 3.41Å
150S42.9Very low45.4Very low114 Ų114144.3 Ų144.380%0.79779%0.794SS**  trans-175.2143.1136-87.90000111.7
151D43.7Very low44.9Very low162 Ų162142.1 Ų142.187%0.86679%0.791SS**  trans80.591.3172.6-64-29.2000119.3L153D151-L153 PolarHBondContact O-N 3Å
152Q43.2Very low44.8Very low189 Ų189141.6 Ų141.688%0.88379%0.794SS**  trans-51118.3163.9-62.8172.768.600112.1
153L53Low45Very low174 Ų174144.4 Ų144.491%0.91180%0.802SS**  trans-146.5113.6142.3-74.9-177.4000108.9D151 C155D151-L153 PolarHBondContact O-N 3Å; L153-C155 PolarHBondContact O-N 2.64Å
154E37.3Very low45Very low160 Ų160144.2 Ų144.275%0.74881%0.807SS**  trans-55.5125.8177-80.7-174.59800111.9K156E154-K156 IonicContact OE1-NZ 2.81Å; E154-K156 PolarHBondContact OE1-NZ 3.09Å
155C43.6Very low45.1Very low99 Ų99144.1 Ų144.167%0.66981%0.809SS**  trans-132.698.7152.1-151.10000108.9L153 Y157L153-C155 PolarHBondContact O-N 2.64Å; C155-Y157 HydrophobicContact CB-CD2 4.45Å; C155-Y157 PolarHBondContact O-N 3.47Å; C155-Y157 VanDerWaalsContact O-N 3.08Å; C155-Y157 WeakPolarHBondContact SG-CE2 3.37Å
156K44.2Very low45.4Very low174 Ų174147.6 Ų147.676%0.75781%0.811SS**  trans-68.496.7170.4-79.2165.2170.7131.80108.8E154E154-K156 IonicContact OE1-NZ 2.81Å; E154-K156 PolarHBondContact OE1-NZ 3.09Å
157Y42Very low45.6Very low197 Ų197147.5 Ų147.577%0.77381%0.81SS**  trans-95.3107.5157.4-83.5-85.4000108.3C155 N159C155-Y157 HydrophobicContact CB-CD2 4.45Å; C155-Y157 PolarHBondContact O-N 3.47Å; C155-Y157 VanDerWaalsContact O-N 3.08Å; C155-Y157 WeakPolarHBondContact SG-CE2 3.37Å; Y157-N159 PolarHBondContact O-N 3.31Å
158S50.2Low46.2Very low118 Ų118148.6 Ų148.683%0.82581%0.809SS**  trans-64.5113.5170.3270000109.7G160S158-G160 PolarHBondContact O-N 3.24Å
159N39.9Very low46.9Very low162 Ų162149.9 Ų149.987%0.86681%0.81SS**  trans-69.695.6165.3-74.2-30.8000108.5Y157 T161Y157-N159 PolarHBondContact O-N 3.31Å; N159-T161 PolarHBondContact O-N 3.46Å
160G38.3Very low47.4Very low62 Ų62153.6 Ų153.664%0.63981%0.812SS**  trans-74.9116166.600000109.6S158 V162S158-G160 PolarHBondContact O-N 3.24Å; G160-V162 WeakPolarHBondContact O-CG2 3.32Å; G160-V162 PolarHBondContact O-N 3.28Å
161T44.1Very low48.3Very low145 Ų145156 Ų15689%0.8982%0.815SS**  trans-62118.1168.5470000108.9N159N159-T161 PolarHBondContact O-N 3.46Å
162V52.5Low49Very low123 Ų123154 Ų15475%0.74581%0.809SS**  trans-119.4111.3173.2-150.70000108.2G160 H164G160-V162 WeakPolarHBondContact O-CG2 3.32Å; G160-V162 PolarHBondContact O-N 3.28Å; V162-H164 PolarHBondContact O-N 3.37Å
163N46.8Very low50Low155 Ų155151.9 Ų151.983%0.82980%0.802SS**  trans-57.3114.6174.4-83.1-30000110.4H165N163-H165 PolarHBondContact O-N 3.04Å
164H48.5Very low50Low192 Ų192148.5 Ų148.589%0.88979%0.793SS**  trans-78.892.7167.4-79.8-73.7000109.7V162V162-H164 PolarHBondContact O-N 3.37Å
165H52Low51Low183 Ų183148.3 Ų148.385%0.84780%0.796SS**  trans-82.3117.6160.5-109.6-86.9000109.6N163N163-H165 PolarHBondContact O-N 3.04Å
166R52.5Low51.5Low229 Ų229149.4 Ų149.486%0.86480%0.8SS**  trans-41.9136.5170-87.1177.1159.5-157.6-2.8112.9
167S51.3Low51.6Low114 Ų114147 Ų14780%0.79780%0.802SS**  trans-148.1109.4146.6-79.90000108L169S167-L169 PolarHBondContact O-N 3.17Å
168P56.5Low51.7Low117 Ų117141.1 Ų141.176%0.7680%0.802SS**  trans-90.8100.2177.133.1-25.4000108.8
169L61.5Low51.5Low167 Ų167141.6 Ų141.687%0.87481%0.805SS**  trans-101.196.6157.6-70.5178.4000107.5S167 L171S167-L169 PolarHBondContact O-N 3.17Å; L169-L171 PolarHBondContact O-N 3.22Å
170K51.8Low51.6Low189 Ų189137.4 Ų137.482%0.82280%0.8SS**  trans-8099.2177.5-166.1166.8-177.11690108.1
171L62.5Low51.9Low165 Ų165144.6 Ų144.686%0.86481%0.814SS**  trans-92.4104.6165.5-71.2174.6000108.1L169L169-L171 PolarHBondContact O-N 3.22Å
172T56.9Low51.9Low120 Ų120145.5 Ų145.574%0.73681%0.812SS**  trans-83.3113.4174.9-450000108.7
173I64.9Low51.5Low144 Ų144146.7 Ų146.774%0.73881%0.814SS**  trans-103109.6167.3-59.9174.2000106.9L175I173-L175 HydrophobicContact CG2-CD1 4.12Å; I173-L175 PolarHBondContact O-N 3.43Å
174S53.3Low51.5Low103 Ų103147.1 Ų147.172%0.7281%0.811SS**  trans-73.8113.8174.3-178.50000109.5
175L58.5Low51Low156 Ų156143.4 Ų143.482%0.81781%0.807SS**  trans-98.9112.3161.6-79.496.9000108.6I173I173-L175 HydrophobicContact CG2-CD1 4.12Å; I173-L175 PolarHBondContact O-N 3.43Å
176V52.7Low50.8Low123 Ų123139.5 Ų139.575%0.74580%0.8SS**  trans-62.7127.9169.6179.30000109G178V176-G178 PolarHBondContact O-N 3.37Å; V176-G178 VanDerWaalsContact O-N 3.17Å
177P47.4Very low50.6Low122 Ų122138.1 Ų138.179%0.79280%0.8SS**  trans-76.4105.1172.428.2-27.9000109.1S179P177-S179 PolarHBondContact O-N 3.32Å
178G42.8Very low50.2Low75 Ų75141.6 Ų141.677%0.77380%0.803SS**  trans-68.8113.5169.900000110.6V176 G180V176-G178 PolarHBondContact O-N 3.37Å; V176-G178 VanDerWaalsContact O-N 3.17Å; G178-G180 PolarHBondContact O-N 3.11Å
179S46.4Very low49.5Very low127 Ų127141.1 Ų141.189%0.88880%0.802SS**  trans-55121.6171.249.90000112.5P177P177-S179 PolarHBondContact O-N 3.32Å
180G42.4Very low48.5Very low74 Ų74140.5 Ų140.576%0.76380%0.8SS**  trans-150.3126.3170.900000109.5G178G178-G180 PolarHBondContact O-N 3.11Å
181K44.2Very low47.7Very low214 Ų214142.2 Ų142.293%0.9380%0.801SS**  trans-61.3146.4-163.7-71.3169.5171.6174.30115
182L45.3Very low46.5Very low163 Ų163142.9 Ų142.985%0.85380%0.8SS**  trans-47135.3161.9-70.8144.7000112.2
183D43Very low45.8Very low149 Ų149144.4 Ų144.480%0.79780%0.803SS**  trans-171.3143.2130.2-101.3-40.4000112.2
184H46.4Very low44.4Very low164 Ų164143.6 Ų143.676%0.75980%0.8SS**  trans67.893.9167.2-75.8-75.2000120.8S186H184-S186 PolarHBondContact O-N 3.23Å
185S39.7Very low44Very low114 Ų114144.4 Ų144.480%0.79780%0.803SS**  trans-2101.2132.6-177.40000115.5
186S47.1Very low43Very low100 Ų100142.8 Ų142.870%0.69980%0.8SS**  trans-137.2113.8160.8-84.20000109.8H184 H188H184-S186 PolarHBondContact O-N 3.23Å; S186-H188 PolarHBondContact O-N 3.28Å
187K47.2Very low42.1Very low200 Ų200141.9 Ų141.987%0.8781%0.805SS**  trans-61.5112.6173.6-67.6173.8176.4178.80108.7S189K187-S189 VanDerWaalsContact C-N 3.31Å; K187-S189 PolarHBondContact O-N 3.35Å
188H43.4Very low41.4Very low188 Ų188139.5 Ų139.587%0.8780%0.802SS**  trans-73.690.4164-83.6-85.7000108.8S186 N190S186-H188 PolarHBondContact O-N 3.28Å; H188-N190 PolarHBondContact O-N 3.19Å
189S41.6Very low40.8Very low106 Ų106139.6 Ų139.674%0.74180%0.804SS**  trans-68121.7161.3178.20000108.2K187 R191K187-S189 VanDerWaalsContact C-N 3.31Å; K187-S189 PolarHBondContact O-N 3.35Å; S189-R191 PolarHBondContact O-N 3.37Å
190N40.2Very low40.5Very low154 Ų154138.7 Ų138.782%0.82479%0.789SS**  trans-65.1101176.1-144.2-20.2000108H188 Q192H188-N190 PolarHBondContact O-N 3.19Å; N190-Q192 VanDerWaalsContact C-N 3.3Å; N190-Q192 PolarHBondContact O-N 3.45Å
191R36.6Very low40.1Very low225 Ų225144.5 Ų144.585%0.84980%0.796SS**  trans-76.788.2173.7-119.9-179.2175.8-165.1-1.4108.1S189 L193S189-R191 PolarHBondContact O-N 3.37Å; R191-L193 PolarHBondContact O-N 3.26Å; R191-L193 VanDerWaalsContact O-N 3.14Å
192Q36.9Very low40.1Very low179 Ų179141.8 Ų141.884%0.83678%0.781SS**  trans-59.6106.5159.7-175.1169.5-10.300107.5N190 D194N190-Q192 VanDerWaalsContact C-N 3.3Å; N190-Q192 PolarHBondContact O-N 3.45Å; Q192-D194 PolarHBondContact O-N 3.22Å
193L42.6Very low40.3Very low152 Ų152138.7 Ų138.780%0.79677%0.773SS**  trans-81107.2167.2-75.4166000107.2R191 P195R191-L193 PolarHBondContact O-N 3.26Å; R191-L193 VanDerWaalsContact O-N 3.14Å; L193-P195 WeakPolarHBondContact O-CD 3.36Å
194D35.1Very low40.3Very low128 Ų128134.3 Ų134.368%0.68475%0.754SS**  trans-55.7126.9159.2-115.8-53.2000109.7Q192Q192-D194 PolarHBondContact O-N 3.22Å
195P44Very low40.3Very low120 Ų120133.5 Ų133.578%0.77975%0.754SS**  trans-92.191.515028.7-14.6000107.3L193 A197L193-P195 WeakPolarHBondContact O-CD 3.36Å; P195-A197 PolarHBondContact O-N 3.33Å
196T39.2Very low40.3Very low121 Ų121133.5 Ų133.574%0.74275%0.745SS**  trans-56.6131.3163.620.50000110.4
197A32.2Very low40.2Very low105 Ų105137.7 Ų137.787%0.86875%0.754SS**  trans56.695.8146.500000117.7P195P195-A197 PolarHBondContact O-N 3.33Å
198G33.4Very low39.8Very low71 Ų71135.3 Ų135.373%0.73275%0.751SS**  trans-172.548164.500000111.5N200G198-N200 PolarHBondContact O-N 3.47Å
199G29.8Very low39.6Very low78 Ų78132.8 Ų132.880%0.80474%0.743SS**  trans-71.190.2175.700000110.2
200N39.5Very low39.2Very low108 Ų108132.3 Ų132.358%0.57874%0.74SS**  trans-106.891159.4-65.1-14.4000107.9G198 Y202G198-N200 PolarHBondContact O-N 3.47Å; N200-Y202 HydrophobicContact CB-CD1 4.38Å; N200-Y202 HydrophobicContact CB-CD2 4.21Å; N200-Y202 HydrophobicContact CB-CE1 3.65Å; N200-Y202 HydrophobicContact CB-CE2 3.44Å; N200-Y202 VanDerWaalsContact CB-CE2 3.44Å; N200-Y202 WeakPolarHBondContact CB-OH 3.47Å; N200-Y202 PolarHBondContact ND2-OH 3.08Å; N200-Y202 WeakPolarHBondContact O-CD2 3.49Å; N200-Y202 PolarHBondContact O-N 3.06Å
201E34.7Very low39.3Very low196 Ų196132 Ų13292%0.91674%0.738SS**  trans-65.8107.5163.5-79-178.599.500108.3
202Y45.2Very low39.4Very low156 Ų156129.5 Ų129.561%0.61273%0.733SS**  trans-111.597.2165-38.3-78.1000106.8N200 C204N200-Y202 HydrophobicContact CB-CD1 4.38Å; N200-Y202 HydrophobicContact CB-CD2 4.21Å; N200-Y202 HydrophobicContact CB-CE1 3.65Å; N200-Y202 HydrophobicContact CB-CE2 3.44Å; N200-Y202 VanDerWaalsContact CB-CE2 3.44Å; N200-Y202 WeakPolarHBondContact CB-OH 3.47Å; N200-Y202 PolarHBondContact ND2-OH 3.08Å; N200-Y202 WeakPolarHBondContact O-CD2 3.49Å; N200-Y202 PolarHBondContact O-N 3.06Å; Y202-C204 PolarHBondContact O-N 3.28Å
203S47.9Very low39Very low98 Ų98127.4 Ų127.469%0.68573%0.733SS**  trans-73.9114.9168.458.70000108.3L205S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 3.1Å; S203-L205 VanDerWaalsContact O-N 3.09Å
204C44.6Very low38.7Very low57 Ų57126.3 Ų126.339%0.38573%0.732SS.*  trans-7397.4163.2-56.60000104.9C78 Y202 D206C78-C204 HydrophobicContact CB-CB 4.47Å; C78-C204 WeakPolarHBondContact CB-SG 3.12Å; C78-C204 WeakPolarHBondContact SG-CB 3.48Å; C78-C204 CovalentContact SG-SG 2.12Å; C78-C204 PolarHBondContact SG-SG 3.48Å; Y202-C204 PolarHBondContact O-N 3.28Å; C204-D206 PolarHBondContact O-N 3.42Å
205L45.1Very low38.6Very low148 Ų148129 Ų12978%0.77574%0.741SS**  trans-59.3133.9175-65.9172.9000110.1S203 E207S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 3.1Å; S203-L205 VanDerWaalsContact O-N 3.09Å; L205-E207 PolarHBondContact O-N 3.26Å
206D39.8Very low38.3Very low113 Ų113128.4 Ų128.460%0.60474%0.739SS**  trans-81.396.3176.3-82.3-53.7000110.5K87 C204 N208K87-D206 IonicContact NZ-OD1 2.64Å; K87-D206 PolarHBondContact NZ-OD1 3.31Å; C204-D206 PolarHBondContact O-N 3.42Å; D206-N208 PolarHBondContact O-N 2.99Å
207E44.8Very low38.3Very low188 Ų188127.1 Ų127.188%0.87974%0.735SS**  trans-81.1100.2158.5-82.7-175100.100109.3L205 N209L205-E207 PolarHBondContact O-N 3.26Å; E207-N209 PolarHBondContact O-N 3.46Å; E207-N209 VanDerWaalsContact O-N 3.11Å
208N38.7Very low38.5Very low150 Ų150130.4 Ų130.480%0.80273%0.732SS**  trans-68.493.5167.1-72.5-52.4000109.4D206 S210D206-N208 PolarHBondContact O-N 2.99Å; N208-S210 PolarHBondContact O-N 2.81Å
209N39.2Very low39Very low135 Ų135135.4 Ų135.472%0.72274%0.741SS**  trans-8692.8169.1-153.8-1.4000110.1E207 L211E207-N209 PolarHBondContact O-N 3.46Å; E207-N209 VanDerWaalsContact O-N 3.11Å; N209-L211 PolarHBondContact O-N 3.35Å
210S33.2Very low39.5Very low96 Ų96141.1 Ų141.167%0.67174%0.744SS**  trans-79.187.3169.1-173.40000108.9N208 K212N208-S210 PolarHBondContact O-N 2.81Å; S210-K212 PolarHBondContact O-N 3.08Å
211L43.1Very low40.1Very low147 Ų147141 Ų14177%0.7775%0.752SS**  trans-88.397.5167.5-83159.5000108.6N209 T213N209-L211 PolarHBondContact O-N 3.35Å; L211-T213 PolarHBondContact O-N 3.27Å
212K37.9Very low40.6Very low174 Ų174139.7 Ų139.776%0.75775%0.751SS**  trans-56.5125.8174.6-69.4176.8176.2-176.30110.8S210 T214S210-K212 PolarHBondContact O-N 3.08Å; K212-T214 PolarHBondContact O-N 3.15Å
213T28.4Very low40.6Very low135 Ų135140 Ų14083%0.82876%0.763SS**  trans-58.4110.7156.4-47.60000109.1L211L211-T213 PolarHBondContact O-N 3.27Å
214T37.2Very low40.6Very low128 Ų128140.7 Ų140.779%0.78577%0.765SS**  trans-132.1115162.136.30000109.7K212K212-T214 PolarHBondContact O-N 3.15Å
215Q33.7Very low40.7Very low186 Ų186143.6 Ų143.687%0.86978%0.781SS**  trans-62.5135.3170.1-58.3170.114.500110.4
216S37Very low41.2Very low106 Ų106142.8 Ų142.874%0.74178%0.781SS**  trans-176.6100.1147.8-144.30000107.7
217S38.8Very low41.8Very low94 Ų94143 Ų14366%0.65779%0.787SS**  75.1121.191.284.90000113.8
218H35.6Very low42.6Very low174 Ų174139 Ų13981%0.80678%0.779SS**  trans60.3116.6164-76.4-96.1000118.5
219L45.5Very low43Very low176 Ų176140.7 Ų140.792%0.92178%0.782SS**  -168.8117125.9-94.1154.3000109.1
220K39.3Very low44Very low199 Ų199139.7 Ų139.787%0.86579%0.786SS**  trans-82.7133.2171.5-86.6162.6166.7173.30108.8
221S52Low44.6Very low106 Ų106140.8 Ų140.874%0.74179%0.794SS**  trans-161.197.5159.451.10000107.8
222N45.8Very low45Very low167 Ų167144 Ų14489%0.89382%0.82SS**  65.39895.3-75.9-18.8000113
223L46Very low45.4Very low164 Ų164142.6 Ų142.686%0.85982%0.823SS**  trans-88.8132.6168.8-14682.9000108.3
224P47.9Very low46.3Very low112 Ų112142.9 Ų142.973%0.72782%0.823SS**  trans-90.5115.2167.230.9-24.9000110.2
225T45.7Very low46.8Very low117 Ų117143.8 Ų143.872%0.71883%0.825SS**  trans-73120164.1-56.80000108.4V227T225-V227 HydrophobicContact CG2-CG2 3.85Å
226V55.1Low47.5Very low131 Ų131141.3 Ų141.379%0.79482%0.823SS**  trans-96.2106.6170.4-151.10000106.8
227V52.9Low48.2Very low118 Ų118143.5 Ų143.572%0.71583%0.828SS**  trans-97.9118.6167.5-179.70000106.6T225T225-V227 HydrophobicContact CG2-CG2 3.85Å
228S61.9Low48.8Very low104 Ų104146.8 Ų146.873%0.72784%0.839SS**  trans-89.5111.7172.5-55.70000108.9
229E46.1Very low49.8Very low185 Ų185144.9 Ų144.986%0.86484%0.841SS**  trans-73.4131.8164.5-71176.9133.100109.3
230S60.5Low50.1Low115 Ų115142.5 Ų142.580%0.80484%0.835SS**  trans-110112.8167.2-43.60000107.6
231S46.3Very low51Low119 Ų119137.8 Ų137.883%0.83283%0.833SS**  trans-76.7122.5170.4-56.10000110.3
232T52Low50.9Low215 Ų215140.6 Ų140.6100%1.31984%0.841SS**  trans-163.60144.524.80000108.5

Retrieved 232 of 232 residues in 353.9 ms (Link to these results)

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