A0A093HF45_STRCA Loading...

Receptor-binding cancer antigen expressed on SiSo cells

May participate in suppression of cell proliferation and induces apoptotic cell death through activation of interleukin-1-beta converting enzyme (ICE)-like proteases.

AlphaFold DB , UniProt , Accession A0A093HF45, Species STRCA (Struthio camelus australis), Gene n/a, Length 213 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
1M53.6Low69.4Low214 Ų214127.4 Ų127.4100%1.05462%0.622SS**  0-1.70-59.4-170.1-163.200114.8T4 Q5M1-T4 PolarHBondContact O-OG1 3.14Å; M1-Q5 WeakPolarHBondContact O-CG 3.4Å
2A60.2Low70.7Confident62 Ų62122.3 Ų122.351%0.51261%0.608SS.*Hα-helixtrans-81.5-31.8178.200000113.6T4 Q5 F6A2-T4 PolarHBondContact O-N 3.18Å; A2-Q5 PolarHBondContact O-N 3.29Å; A2-F6 VanDerWaalsContact O-CD2 3.3Å; A2-F6 WeakPolarHBondContact O-CD2 3.39Å; A2-F6 PolarHBondContact O-N 3.43Å; A2-F6 VanDerWaalsContact O-N 3.07Å
3I61.3Low72.1Confident138 Ų138119.7 Ų119.771%0.70860%0.603SS**Hα-helixtrans-65.3-38-174.6-63.2160.3000111.9R7I3-R7 VanDerWaalsContact O-CG 3.24Å; I3-R7 WeakPolarHBondContact O-CG 3.39Å; I3-R7 PolarHBondContact O-N 3.33Å
4T67.1Low73.2Confident98 Ų98117 Ų11760%0.60160%0.599SS**Hα-helixtrans-70-35.517750.20000112.2M1 A2 R7 L8M1-T4 PolarHBondContact O-OG1 3.14Å; A2-T4 PolarHBondContact O-N 3.18Å; T4-R7 PolarHBondContact O-N 3.47Å; T4-L8 WeakPolarHBondContact O-CB 3.42Å; T4-L8 PolarHBondContact O-N 3.11Å
5Q62.4Low74.4Confident98 Ų98115.7 Ų115.746%0.45859%0.594SS.*Hα-helixtrans-66.9-44.3176.8-62-68.3-1.200111.4M1 A2 R7 L8 F9M1-Q5 WeakPolarHBondContact O-CG 3.4Å; A2-Q5 PolarHBondContact O-N 3.29Å; Q5-R7 VanDerWaalsContact C-N 3.31Å; Q5-R7 PolarHBondContact O-N 3.39Å; Q5-L8 WeakPolarHBondContact O-CB 3.34Å; Q5-L8 PolarHBondContact O-N 3.35Å; Q5-L8 VanDerWaalsContact O-N 3.16Å; Q5-F9 WeakPolarHBondContact O-CD2 3.33Å; Q5-F9 PolarHBondContact O-N 3.18Å
6F61.4Low75.4Confident150 Ų150112.1 Ų112.166%0.65859%0.586SS**Hα-helixtrans-62.9-36175.2-85.9-76.4000113A2 K10A2-F6 VanDerWaalsContact O-CD2 3.3Å; A2-F6 WeakPolarHBondContact O-CD2 3.39Å; A2-F6 PolarHBondContact O-N 3.43Å; A2-F6 VanDerWaalsContact O-N 3.07Å; F6-K10 WeakPolarHBondContact O-CG 3.36Å; F6-K10 PolarHBondContact O-N 3.12Å; F6-K10 VanDerWaalsContact O-N 3.11Å
7R72.4Confident76.3Confident171 Ų171108.8 Ų108.865%0.64558%0.579SS**Hα-helixtrans-67.9-40.7173.7-65.1-70.8179.6-179.70.2111.1I3 T4 Q5 K10 I11I3-R7 VanDerWaalsContact O-CG 3.24Å; I3-R7 WeakPolarHBondContact O-CG 3.39Å; I3-R7 PolarHBondContact O-N 3.33Å; T4-R7 PolarHBondContact O-N 3.47Å; Q5-R7 VanDerWaalsContact C-N 3.31Å; Q5-R7 PolarHBondContact O-N 3.39Å; R7-K10 PolarHBondContact O-N 2.97Å; R7-I11 WeakPolarHBondContact O-CD1 3.33Å; R7-I11 WeakPolarHBondContact O-CG1 3.45Å; R7-I11 PolarHBondContact O-N 3.02Å
8L77.1Confident77.1Confident95 Ų95107.3 Ų107.350%0.49757%0.574SS.*Hα-helixtrans-63.2-44.8176.1-166.774.8000111.5T4 Q5 K10 I11 C12T4-L8 WeakPolarHBondContact O-CB 3.42Å; T4-L8 PolarHBondContact O-N 3.11Å; Q5-L8 WeakPolarHBondContact O-CB 3.34Å; Q5-L8 PolarHBondContact O-N 3.35Å; Q5-L8 VanDerWaalsContact O-N 3.16Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.12Å; L8-I11 PolarHBondContact O-N 2.88Å; L8-C12 WeakPolarHBondContact O-CB 3.36Å; L8-C12 PolarHBondContact O-N 3.15Å; L8-C12 PolarHBondContact O-SG 3.06Å
9F78.6Confident77.8Confident136 Ų136107.6 Ų107.660%0.59658%0.575SS**Hα-helixtrans-61.4-38.7174.9-80.1-69.3000112.4Q5 T13Q5-F9 WeakPolarHBondContact O-CD2 3.33Å; Q5-F9 PolarHBondContact O-N 3.18Å; F9-T13 WeakPolarHBondContact O-CB 3.45Å; F9-T13 VanDerWaalsContact O-CG2 3.28Å; F9-T13 WeakPolarHBondContact O-CG2 3.37Å; F9-T13 PolarHBondContact O-N 3.46Å; F9-T13 PolarHBondContact O-OG1 2.91Å
10K82Confident78.1Confident142 Ų142105.3 Ų105.362%0.61757%0.568SS**Hα-helixtrans-67.7-38.8174.2-72.9-159.9175-179.80112.8F6 R7 L8 T13 C14F6-K10 WeakPolarHBondContact O-CG 3.36Å; F6-K10 PolarHBondContact O-N 3.12Å; F6-K10 VanDerWaalsContact O-N 3.11Å; R7-K10 PolarHBondContact O-N 2.97Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.12Å; K10-T13 WeakPolarHBondContact CA-OG1 3.43Å; K10-T13 PolarHBondContact O-OG1 2.97Å; K10-C14 WeakPolarHBondContact O-CB 3.43Å; K10-C14 PolarHBondContact O-N 3.16Å; K10-C14 PolarHBondContact O-SG 3.13Å
11I87.1Confident78.6Confident97 Ų97106.9 Ų106.950%0.49757%0.57SS.*Hα-helixtrans-67.4-43.6175.6-66.5159.9000110.5R7 L8 C14 L15R7-I11 WeakPolarHBondContact O-CD1 3.33Å; R7-I11 WeakPolarHBondContact O-CG1 3.45Å; R7-I11 PolarHBondContact O-N 3.02Å; L8-I11 PolarHBondContact O-N 2.88Å; I11-C14 PolarHBondContact O-N 3.4Å; I11-L15 HydrophobicContact CG2-CD1 3.94Å; I11-L15 HydrophobicContact CG2-CG 4.44Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.36Å; I11-L15 PolarHBondContact O-N 3.04Å
12C85Confident80.2Confident66 Ų66100.4 Ų100.445%0.44654%0.539SS..Hα-helixtrans-64.4-40.8177.3-69.70000112.2L8 L15 A16L8-C12 WeakPolarHBondContact O-CB 3.36Å; L8-C12 PolarHBondContact O-N 3.15Å; L8-C12 PolarHBondContact O-SG 3.06Å; C12-L15 PolarHBondContact O-N 3.4Å; C12-A16 WeakPolarHBondContact O-CB 3.37Å; C12-A16 PolarHBondContact O-N 2.89Å
13T88.6Confident81.3Confident89 Ų89104.4 Ų104.455%0.54655%0.545SS..Hα-helixtrans-68.2-38.9175.249.50000112.2F9 K10 A16 A17F9-T13 WeakPolarHBondContact O-CB 3.45Å; F9-T13 VanDerWaalsContact O-CG2 3.28Å; F9-T13 WeakPolarHBondContact O-CG2 3.37Å; F9-T13 PolarHBondContact O-N 3.46Å; F9-T13 PolarHBondContact O-OG1 2.91Å; K10-T13 WeakPolarHBondContact CA-OG1 3.43Å; K10-T13 PolarHBondContact O-OG1 2.97Å; T13-A16 PolarHBondContact O-N 3.34Å; T13-A17 PolarHBondContact O-N 2.84Å
14C87.9Confident82.2Confident82 Ų82104.6 Ų104.655%0.55454%0.54SS*.Hα-helixtrans-61.8-45.3171-74.60000112.1K10 I11 A16 A17 V18K10-C14 WeakPolarHBondContact O-CB 3.43Å; K10-C14 PolarHBondContact O-N 3.16Å; K10-C14 PolarHBondContact O-SG 3.13Å; I11-C14 PolarHBondContact O-N 3.4Å; C14-A16 PolarHBondContact O-N 3.12Å; C14-A17 PolarHBondContact O-N 3.49Å; C14-V18 WeakPolarHBondContact O-CG2 3.33Å; C14-V18 PolarHBondContact O-N 3.08Å
15L91.1Very high82.8Confident98 Ų98104.8 Ų104.851%0.51354%0.537SS..Hα-helixtrans-63.4-41.2177-75.9170000111.6I11 C12 A17 V18 L19I11-L15 HydrophobicContact CG2-CD1 3.94Å; I11-L15 HydrophobicContact CG2-CG 4.44Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.36Å; I11-L15 PolarHBondContact O-N 3.04Å; C12-L15 PolarHBondContact O-N 3.4Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 3.04Å; L15-V18 PolarHBondContact O-N 2.93Å; L15-L19 WeakPolarHBondContact O-CB 3.41Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.47Å; L15-L19 PolarHBondContact O-N 2.81Å
16A90.4Very high83.4Confident57 Ų57105.4 Ų105.447%0.47154%0.542SS..Hα-helixtrans-62.4-40.4175.300000112C12 T13 C14 L19 S20C12-A16 WeakPolarHBondContact O-CB 3.37Å; C12-A16 PolarHBondContact O-N 2.89Å; T13-A16 PolarHBondContact O-N 3.34Å; C14-A16 PolarHBondContact O-N 3.12Å; A16-L19 PolarHBondContact O-N 3.08Å; A16-S20 WeakPolarHBondContact O-CB 3.44Å; A16-S20 PolarHBondContact O-N 3.31Å
17A90.3Very high83.5Confident57 Ų57101.9 Ų101.947%0.47154%0.535SS..Hα-helixtrans-62.8-46.4174.900000111.5T13 C14 L15 S20 F21T13-A17 PolarHBondContact O-N 2.84Å; C14-A17 PolarHBondContact O-N 3.49Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 3.04Å; A17-S20 PolarHBondContact O-N 2.9Å; A17-S20 PolarHBondContact O-OG 2.93Å; A17-F21 PolarHBondContact O-N 2.81Å
18V92.1Very high82.9Confident81 Ų81103.7 Ų103.749%0.49154%0.542SS..Hα-helixtrans-62.4-46.2177.3172.80000111.4C14 L15 S20 F21 I22C14-V18 WeakPolarHBondContact O-CG2 3.33Å; C14-V18 PolarHBondContact O-N 3.08Å; L15-V18 PolarHBondContact O-N 2.93Å; V18-S20 VanDerWaalsContact C-N 3.31Å; V18-S20 PolarHBondContact O-N 2.91Å; V18-F21 WeakPolarHBondContact O-CB 3.27Å; V18-F21 PolarHBondContact O-N 2.93Å; V18-F21 VanDerWaalsContact O-N 3.14Å; V18-I22 HydrophobicContact CG1-CD1 3.76Å; V18-I22 HydrophobicContact CG1-CG1 4.44Å; V18-I22 WeakPolarHBondContact O-CG1 3.19Å; V18-I22 PolarHBondContact O-N 3.44Å
19L89.3Confident82Confident113 Ų113104 Ų10459%0.59255%0.552SS**Hα-helixtrans-64.6-35.1177.9-69.7174000112.3L15 A16 F21 I22 K23L15-L19 WeakPolarHBondContact O-CB 3.41Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.47Å; L15-L19 PolarHBondContact O-N 2.81Å; A16-L19 PolarHBondContact O-N 3.08Å; L19-F21 VanDerWaalsContact C-N 3.32Å; L19-I22 PolarHBondContact O-N 3.23Å; L19-K23 VanDerWaalsContact O-CB 3.26Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 PolarHBondContact O-N 3.4Å
20S85.2Confident81Confident61 Ų61100.7 Ų100.743%0.42756%0.556SS.*Hα-helixtrans-66.5-35174.279.30000112.3A16 A17 V18 K24A16-S20 WeakPolarHBondContact O-CB 3.44Å; A16-S20 PolarHBondContact O-N 3.31Å; A17-S20 PolarHBondContact O-N 2.9Å; A17-S20 PolarHBondContact O-OG 2.93Å; V18-S20 VanDerWaalsContact C-N 3.31Å; V18-S20 PolarHBondContact O-N 2.91Å; S20-K24 WeakPolarHBondContact O-CB 3.48Å; S20-K24 WeakPolarHBondContact O-CG 3.12Å; S20-K24 PolarHBondContact O-N 3.34Å
21F87.6Confident79.8Confident140 Ų140104.4 Ų104.461%0.61457%0.566SS**Hα-helixtrans-70.6-43.7176.5-158-95.9000111.3A17 V18 L19 K24 L25A17-F21 PolarHBondContact O-N 2.81Å; V18-F21 WeakPolarHBondContact O-CB 3.27Å; V18-F21 PolarHBondContact O-N 2.93Å; V18-F21 VanDerWaalsContact O-N 3.14Å; L19-F21 VanDerWaalsContact C-N 3.32Å; F21-K24 PolarHBondContact O-N 3.34Å; F21-L25 HydrophobicContact CD1-CD1 3.67Å; F21-L25 HydrophobicContact CD1-CG 4.31Å; F21-L25 HydrophobicContact CE1-CD1 3.78Å; F21-L25 HydrophobicContact CE1-CG 4.32Å; F21-L25 WeakPolarHBondContact O-CG 3.26Å; F21-L25 PolarHBondContact O-N 2.85Å
22I87.1Confident78.3Confident77 Ų77102.3 Ų102.340%0.39557%0.569SS.*Hα-helixtrans-62.2-43.9173.9-67168.6000110.4V18 L19 K24 L25 I26V18-I22 HydrophobicContact CG1-CD1 3.76Å; V18-I22 HydrophobicContact CG1-CG1 4.44Å; V18-I22 WeakPolarHBondContact O-CG1 3.19Å; V18-I22 PolarHBondContact O-N 3.44Å; L19-I22 PolarHBondContact O-N 3.23Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 2.89Å; I22-L25 PolarHBondContact O-N 3.28Å; I22-L25 VanDerWaalsContact O-N 3.13Å; I22-I26 HydrophobicContact CG2-CD1 3.61Å; I22-I26 WeakPolarHBondContact O-CD1 3.41Å; I22-I26 PolarHBondContact O-N 3.34Å
23K83.4Confident76.6Confident147 Ų147110.1 Ų110.164%0.63959%0.589SS**Hα-helixtrans-59.9-43.3174.2-176.7172.1173.5142.40111.3L19 L25 C27L19-K23 VanDerWaalsContact O-CB 3.26Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 PolarHBondContact O-N 3.4Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 2.7Å; K23-C27 WeakPolarHBondContact O-CB 3.33Å; K23-C27 PolarHBondContact O-N 2.96Å; K23-C27 PolarHBondContact O-SG 3.19Å
24K80.1Confident75Confident142 Ų142115.3 Ų115.362%0.61760%0.604SS**Hα-helixtrans-63.7-37.1174.3-77.7-177.4180-174.50112.3S20 F21 I22 R28S20-K24 WeakPolarHBondContact O-CB 3.48Å; S20-K24 WeakPolarHBondContact O-CG 3.12Å; S20-K24 PolarHBondContact O-N 3.34Å; F21-K24 PolarHBondContact O-N 3.34Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 2.89Å; K24-R28 WeakPolarHBondContact O-CB 3.19Å; K24-R28 WeakPolarHBondContact O-CG 3.17Å; K24-R28 PolarHBondContact O-N 2.99Å
25L79.6Confident73.1Confident101 Ų101118.1 Ų118.153%0.52961%0.613SS.*Hα-helixtrans-67.7-48.3176.3-77.8165.3000112.2F21 I22 K23 S29F21-L25 HydrophobicContact CD1-CD1 3.67Å; F21-L25 HydrophobicContact CD1-CG 4.31Å; F21-L25 HydrophobicContact CE1-CD1 3.78Å; F21-L25 HydrophobicContact CE1-CG 4.32Å; F21-L25 WeakPolarHBondContact O-CG 3.26Å; F21-L25 PolarHBondContact O-N 2.85Å; I22-L25 PolarHBondContact O-N 3.28Å; I22-L25 VanDerWaalsContact O-N 3.13Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 2.7Å; L25-S29 WeakPolarHBondContact O-CB 3.2Å; L25-S29 PolarHBondContact O-N 3.05Å
26I75.8Confident71.3Confident112 Ų112119.6 Ų119.657%0.57463%0.631SS**Hα-helixtrans-66.3-43.2178.5-85.581.9000111.3I22 S29 G30I22-I26 HydrophobicContact CG2-CD1 3.61Å; I22-I26 WeakPolarHBondContact O-CD1 3.41Å; I22-I26 PolarHBondContact O-N 3.34Å; I26-S29 PolarHBondContact O-N 2.98Å; I26-G30 PolarHBondContact O-N 3.31Å
27C62.8Low69.5Low75 Ų75120.2 Ų120.251%0.50764%0.643SS.*Hα-helixtrans-75.9-24.2-178.7-63.20000113.4K23 R31K23-C27 WeakPolarHBondContact O-CB 3.33Å; K23-C27 PolarHBondContact O-N 2.96Å; K23-C27 PolarHBondContact O-SG 3.19Å; C27-R31 PolarHBondContact O-N 3.3Å
28R60.8Low67.7Low209 Ų209124.5 Ų124.579%0.78966%0.658SS**Hα-helixtrans-78.3-26168.6-71.1179.899.8161.47.9112.6K24K24-R28 WeakPolarHBondContact O-CB 3.19Å; K24-R28 WeakPolarHBondContact O-CG 3.17Å; K24-R28 PolarHBondContact O-N 2.99Å
29S57.9Low66Low102 Ų102128.9 Ų128.971%0.71367%0.674SS**Hα-helixtrans-77.1-23.8171.6-1620000112.9L25 I26L25-S29 WeakPolarHBondContact O-CB 3.2Å; L25-S29 PolarHBondContact O-N 3.05Å; I26-S29 PolarHBondContact O-N 2.98Å
30G56.7Low64.1Low66 Ų66130.3 Ų130.368%0.6868%0.68SS**Hα-helixtrans-87.5-21.4178.600000115I26 G32I26-G30 PolarHBondContact O-N 3.31Å; G30-G32 PolarHBondContact O-N 3.27Å
31R56.4Low62.7Low220 Ų220132.8 Ų132.883%0.8369%0.693SS**SBendtrans-83.280.2167.1-171.2164.6170.897.9-5.5107.5C27 R33C27-R31 PolarHBondContact O-N 3.3Å; R31-R33 PolarHBondContact O-N 3.49Å; R31-R33 VanDerWaalsContact O-N 3.08Å
32G55.4Low61Low54 Ų54132.7 Ų132.756%0.55770%0.698SS**  trans-36.9117.5179.700000110.9G30 K34G30-G32 PolarHBondContact O-N 3.27Å; G32-K34 PolarHBondContact O-N 2.84Å
33R50.9Low59.2Low229 Ų229134.7 Ų134.786%0.86472%0.716SS**  trans-52.297.6142.5-77.2-177.2176.7-163.9-1.5104.7R31 L35R31-R33 PolarHBondContact O-N 3.49Å; R31-R33 VanDerWaalsContact O-N 3.08Å; R33-L35 HydrophobicContact CB-CD1 4.44Å; R33-L35 PolarHBondContact O-N 3.41Å
34K53.3Low57.8Low198 Ų198134 Ų13486%0.86172%0.724SS**  trans-56.899.3144.1-70.6-91.2-177.61740102.2G32 S36G32-K34 PolarHBondContact O-N 2.84Å; K34-S36 VanDerWaalsContact C-N 3.28Å; K34-S36 PolarHBondContact O-N 3.47Å
35L49.4Very low56.5Low142 Ų142132.7 Ų132.774%0.74373%0.728SS**  trans-53.7106.4164.8-89.987000104.7R33 G37R33-L35 HydrophobicContact CB-CD1 4.44Å; R33-L35 PolarHBondContact O-N 3.41Å; L35-G37 PolarHBondContact O-N 2.93Å; L35-G37 VanDerWaalsContact O-N 3.12Å
36S53.7Low55Low128 Ų128133 Ų13390%0.89573%0.734SS**THydrogen-bonded Turntrans-51.3112.9146.9-64.30000105.6K34K34-S36 VanDerWaalsContact C-N 3.28Å; K34-S36 PolarHBondContact O-N 3.47Å
37G52.3Low53.4Low70 Ų70134.9 Ų134.972%0.72275%0.745SS**THydrogen-bonded Turntrans130.618.1164.900000119L35L35-G37 PolarHBondContact O-N 2.93Å; L35-G37 VanDerWaalsContact O-N 3.12Å
38D52.3Low52.4Low147 Ų147141.3 Ų141.379%0.78676%0.76SS**SBendtrans-122.9117.1154.5-106.1-15.3000110.7I40D38-I40 PolarHBondContact O-N 2.87Å
39Q56.2Low51.8Low174 Ų174136.3 Ų136.381%0.81376%0.758SS**  trans-43.296178.4-175.7176.269.800111.2T41Q39-T41 VanDerWaalsContact C-N 3.32Å; Q39-T41 PolarHBondContact O-N 3.22Å
40I49.4Very low51.5Low142 Ų142137 Ų13773%0.72876%0.762SS**  trans-67.5100.7158.6-73.4162.3000105.2D38 L42D38-I40 PolarHBondContact O-N 2.87Å; I40-L42 VanDerWaalsContact C-N 3.3Å; I40-L42 PolarHBondContact O-N 3.14Å
41T54.8Low50.9Low113 Ų113139.9 Ų139.969%0.69377%0.767SS**  trans-57.3100.715945.20000106.9Q39Q39-T41 VanDerWaalsContact C-N 3.32Å; Q39-T41 PolarHBondContact O-N 3.22Å
42L52.3Low50.4Low139 Ų139135 Ų13573%0.72876%0.763SS**  trans-53.5133.9164.9-70.1150.8000107.3I40 T44I40-L42 VanDerWaalsContact C-N 3.3Å; I40-L42 PolarHBondContact O-N 3.14Å; L42-T44 PolarHBondContact O-N 3.4Å
43P49.7Very low50.2Low119 Ų119142.5 Ų142.577%0.77378%0.781SS**  trans-68.689.7171.527.9-30.9000108.4T45P43-T45 PolarHBondContact O-N 2.92Å; P43-T45 VanDerWaalsContact O-N 3.15Å
44T52.8Low49.8Very low131 Ų131140.2 Ų140.280%0.80478%0.78SS**  trans-82.856.4171.8178.50000110.5L42L42-T44 PolarHBondContact O-N 3.4Å
45T53.3Low49.8Very low115 Ų115136.3 Ų136.371%0.70677%0.774SS**  trans-156.792.3158.551.30000107.6P43 D47P43-T45 PolarHBondContact O-N 2.92Å; P43-T45 VanDerWaalsContact O-N 3.15Å; T45-D47 PolarHBondContact O-N 2.91Å
46V47.9Very low50Low108 Ų108137.9 Ų137.966%0.65578%0.778SS**  trans-74.9114155.9176.90000105.2Y48V46-Y48 WeakPolarHBondContact O-CD2 3.29Å; V46-Y48 PolarHBondContact O-N 2.87Å
47D42Very low50.1Low151 Ų151137.8 Ų137.881%0.80777%0.772SS**  trans-63.4103.9170.4-81.8-36.5000108.1T45 S49T45-D47 PolarHBondContact O-N 2.91Å; D47-S49 VanDerWaalsContact C-N 3.31Å; D47-S49 PolarHBondContact O-N 2.82Å
48Y43.2Very low50.5Low210 Ų210140.9 Ų140.982%0.82477%0.768SS**  trans-69.592.6171.1-69.3-88.1000108.2V46 S50V46-Y48 WeakPolarHBondContact O-CD2 3.29Å; V46-Y48 PolarHBondContact O-N 2.87Å; Y48-S50 PolarHBondContact O-N 3.5Å
49S47Very low50.8Low104 Ų104140.1 Ų140.173%0.72776%0.764SS**  trans-56.3121.1159.7-1730000107.8D47 V51D47-S49 VanDerWaalsContact C-N 3.31Å; D47-S49 PolarHBondContact O-N 2.82Å; S49-V51 PolarHBondContact O-N 2.99Å
50S52.3Low50.9Low116 Ų116142.6 Ų142.681%0.81177%0.766SS**  trans-55100.6-173.852.80000112.3Y48Y48-S50 PolarHBondContact O-N 3.5Å
51V44Very low51.4Low128 Ų128140.5 Ų140.578%0.77676%0.763SS**  trans-104.3133.1164.7178.20000107.9S49S49-V51 PolarHBondContact O-N 2.99Å
52P46.8Very low51.4Low116 Ų116137.7 Ų137.775%0.75375%0.748SS**  trans-68.5139.8-170.9-14.228.7000112.5Q54P52-Q54 PolarHBondContact O-N 3.48Å
53K51.2Low51.7Low213 Ų213141.3 Ų141.393%0.92675%0.752SS**  trans-27110.6172.7-77.1167.6172.4172.80114.2
54Q41.8Very low52.1Low180 Ų180142.6 Ų142.684%0.84175%0.753SS**  trans-93.5140.1151.4-70.5-115.5-59.200108P52P52-Q54 PolarHBondContact O-N 3.48Å
55P54.2Low52.4Low116 Ų116144.5 Ų144.575%0.75375%0.752SS**  trans-74.4130.5-174.130.5-30.9000110.3V57P55-V57 PolarHBondContact O-N 3.13Å
56E53.4Low52.7Low176 Ų176146.3 Ų146.382%0.82276%0.758SS**  trans45.773148.5-153.5164-154.800115.2E58E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.43Å; E56-E58 VanDerWaalsContact O-N 3.11Å
57V56.2Low53.2Low125 Ų125144 Ų14476%0.75875%0.75SS**  trans-71.5101.5155.4-1770000105.4P55 D59P55-V57 PolarHBondContact O-N 3.13Å; V57-D59 PolarHBondContact O-N 3.2Å
58E59.3Low53.9Low136 Ų136142.2 Ų142.264%0.63675%0.747SS**  trans-42113.3169.6-164.498.9-151.600109.1E56 W60E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.43Å; E56-E58 VanDerWaalsContact O-N 3.11Å; E58-W60 PolarHBondContact O-N 2.87Å; E58-W60 VanDerWaalsContact O-N 3.12Å
59D58.1Low54.5Low131 Ų131139.2 Ų139.270%0.70175%0.75SS**  trans-63114.8179.5-108-27.7000107.9V57 S61 S62V57-D59 PolarHBondContact O-N 3.2Å; D59-S61 PolarHBondContact O-N 2.87Å; D59-S62 PolarHBondContact O-N 3.01Å; D59-S62 PolarHBondContact O-OG 3.28Å
60W60.2Low54.9Low226 Ų226139.1 Ų139.186%0.85675%0.75SS**THydrogen-bonded Turntrans-61.13.7-178.8-74.676.2000114.6E58E58-W60 PolarHBondContact O-N 2.87Å; E58-W60 VanDerWaalsContact O-N 3.12Å
61S58Low55.2Low97 Ų97139.7 Ų139.768%0.67875%0.748SS**THydrogen-bonded Turntrans-99.2-1.2177.6-48.70000113.2D59 W63D59-S61 PolarHBondContact O-N 2.87Å; S61-W63 VanDerWaalsContact C-N 3.26Å; S61-W63 PolarHBondContact O-N 3.35Å
62S55.2Low55.9Low54 Ų54142 Ų14238%0.37875%0.748SS.*G310 helixtrans-72.9-13.5-176.466.70000114.7D59 D64D59-S62 PolarHBondContact O-N 3.01Å; D59-S62 PolarHBondContact O-OG 3.28Å; S62-D64 VanDerWaalsContact C-N 3.29Å; S62-D64 PolarHBondContact O-N 3.04Å
63W60Low56.5Low215 Ų215143.9 Ų143.981%0.81475%0.75SS**G310 helixtrans-73.6-16.3-175.2-72.389.5000114.7S61S61-W63 VanDerWaalsContact C-N 3.26Å; S61-W63 PolarHBondContact O-N 3.35Å
64D57.4Low56.9Low146 Ų146141.5 Ų141.578%0.78174%0.742SS**G310 helixtrans-98.3-11.2-174.1-112.1-8.2000114.1S62S62-D64 VanDerWaalsContact C-N 3.29Å; S62-D64 PolarHBondContact O-N 3.04Å
65E58.3Low57.2Low171 Ų171136.2 Ų136.280%0.79974%0.736SS**SBendtrans-87.1-22.2-175.2-84.3-79.3135.500114.1
66D60Low56.7Low153 Ų153134.2 Ų134.282%0.81874%0.736SS**SBendtrans-105.34-174.3-76-38.4000114.9P68D66-P68 WeakPolarHBondContact O-CD 3.4Å
67A59.1Low56.4Low59 Ų59134 Ų13449%0.48874%0.74SS.*SBendtrans-85.2120.4177.300000110.7T69A67-T69 PolarHBondContact O-N 2.95Å
68P55.4Low56.3Low115 Ų115131.9 Ų131.975%0.74775%0.745SS**  trans-62.1109.817823.2-31.3000110.2D66 S70D66-P68 WeakPolarHBondContact O-CD 3.4Å; P68-S70 PolarHBondContact O-N 3.17Å
69T57Low56Low146 Ų146132 Ų13290%0.89675%0.749SS**SBendtrans-71.153.3174.944.90000111.7A67A67-T69 PolarHBondContact O-N 2.95Å
70S55.8Low55.6Low103 Ų103133 Ų13372%0.7276%0.76SS**  trans-165.180.4163.551.60000112P68 K72P68-S70 PolarHBondContact O-N 3.17Å; S70-K72 PolarHBondContact O-N 3.37Å; S70-K72 VanDerWaalsContact O-N 3.16Å
71V57.2Low55.2Low128 Ų128127.4 Ų127.478%0.77675%0.751SS**  trans-74.9102.3159.1178.40000107.4I73V71-I73 HydrophobicContact CG1-CG1 4.33Å; V71-I73 PolarHBondContact O-N 2.89Å; V71-I73 VanDerWaalsContact O-N 3.07Å
72K58.8Low55Low177 Ų177126.3 Ų126.377%0.7775%0.748SS**  trans-68.1100.6171.7-166.4-178-176.4-167.60107.9S70 E74S70-K72 PolarHBondContact O-N 3.37Å; S70-K72 VanDerWaalsContact O-N 3.16Å; K72-E74 VanDerWaalsContact C-N 3.28Å; K72-E74 PolarHBondContact O-N 3.47Å
73I60Low54.7Low154 Ų154133 Ų13379%0.7977%0.773SS**  trans-76.686.5176-54.3174.8000107.5V71 G75V71-I73 HydrophobicContact CG1-CG1 4.33Å; V71-I73 PolarHBondContact O-N 2.89Å; V71-I73 VanDerWaalsContact O-N 3.07Å; I73-G75 PolarHBondContact O-N 3.15Å
74E58.5Low54.2Low164 Ų164130.3 Ų130.377%0.76677%0.77SS**  trans-73.6106.3167.2-170.7149.3161.400107.9K72K72-E74 VanDerWaalsContact C-N 3.28Å; K72-E74 PolarHBondContact O-N 3.47Å
75G48.5Very low54Low69 Ų69127.8 Ų127.871%0.71176%0.756SS**  trans-72143.9-179.400000112.2I73I73-G75 PolarHBondContact O-N 3.15Å
76G44.9Very low53.7Low73 Ų73123.9 Ų123.975%0.75375%0.753SS**  trans127.7109.1153.100000115.8
77N45.7Very low53.4Low171 Ų171124.3 Ų124.391%0.91475%0.754SS**  trans48.4124.5156.6-80.516.6000120.1N79N77-N79 PolarHBondContact O-N 2.92Å
78G55Low53.2Low82 Ų82127.3 Ų127.385%0.84576%0.758SS**  trans-56.4128-179.800000114.2
79N52.2Low53.2Low138 Ų138129.4 Ų129.474%0.73876%0.758SS**  -169.893.8118.2-136.87.5000107.2N77N77-N79 PolarHBondContact O-N 2.92Å
80V51.3Low53.4Low153 Ų153131 Ų13193%0.92776%0.758SS**  trans-112.881.9166.3-170.80000107.2
81T50.8Low54.2Low107 Ų107132.7 Ų132.766%0.65675%0.754SS**  trans-79.7131.9169.735.60000110.7
82A53.1Low55.4Low74 Ų74130.4 Ų130.461%0.61274%0.742SS**SBendtrans84.639.6132.200000120.8
83Q48.8Very low56.3Low194 Ų194127.2 Ų127.291%0.90773%0.733SS**SBendtrans-123.1-4.3165.1-73.7-166.4-43.700116.9
84Q50.2Low57.5Low160 Ų160127.8 Ų127.875%0.74873%0.727SS**SBendtrans-98.4-10.4177.1-65.6172.4-26.200113.4A86Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 3.35Å; Q84-A86 VanDerWaalsContact O-N 3.13Å
85N52.3Low58.6Low92 Ų92126.8 Ų126.849%0.49272%0.72SS.*THydrogen-bonded Turntrans-75.1-0.2-166.1-94-49.2000117.3Q89N85-Q89 WeakPolarHBondContact O-CG 3.45Å
86A53.3Low60.1Low89 Ų89130.5 Ų130.574%0.73672%0.717SS**THydrogen-bonded Turntrans-87-28.2-176.700000113.7Q84Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 3.35Å; Q84-A86 VanDerWaalsContact O-N 3.13Å
87L52.6Low61.9Low162 Ų162134.6 Ų134.685%0.84872%0.721SS**THydrogen-bonded Turntrans-93.5-29.1179.8-78.9169.8000113.1Q89L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 3.46Å
88E56Low63.6Low123 Ų123133.6 Ų133.658%0.57571%0.713SS**G310 helixtrans-75.8-15179.7-66.8177.6167.600113.3M90 E91E88-M90 VanDerWaalsContact C-N 3.28Å; E88-M90 PolarHBondContact O-N 2.9Å; E88-E91 PolarHBondContact O-N 3.22Å
89Q55.8Low64.8Low158 Ų158134 Ų13474%0.73870%0.699SS**G310 helixtrans-73-13.9-179.8-85.7176.89.100114.8N85 L87N85-Q89 WeakPolarHBondContact O-CG 3.45Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 3.46Å
90M59.8Low66.3Low180 Ų180132.5 Ų132.589%0.88770%0.697SS**G310 helixtrans-88.4-17178.9-163.8175.8175.500112.7E88E88-M90 VanDerWaalsContact C-N 3.28Å; E88-M90 PolarHBondContact O-N 2.9Å
91E74.2Confident67.7Low138 Ų138131.3 Ų131.365%0.64569%0.69SS**SBendtrans-87.8126179.3-165.6171.5173.200110.1E88 D93 Y94E88-E91 PolarHBondContact O-N 3.22Å; E91-D93 PolarHBondContact O-N 3.01Å; E91-Y94 HydrophobicContact CG-CE2 4.31Å
92P80.9Confident69.2Low81 Ų81133.6 Ų133.653%0.52670%0.697SS.*  trans-59128.9171.7-21.833.2000110.3Y94P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 WeakPolarHBondContact O-CD2 3.41Å; P92-Y94 VanDerWaalsContact O-CE2 3.25Å; P92-Y94 WeakPolarHBondContact O-CE2 3.36Å; P92-Y94 PolarHBondContact O-N 3.24Å
93D79.3Confident70.6Confident109 Ų109140.3 Ų140.358%0.58371%0.706SS**  trans-70.593.5175.6179.56000110.6E91 F95 K96E91-D93 PolarHBondContact O-N 3.01Å; D93-F95 PolarHBondContact O-N 3.4Å; D93-F95 PolarHBondContact OD1-N 2.92Å; D93-F95 VanDerWaalsContact OD1-N 3.09Å; D93-K96 PolarHBondContact OD1-N 3.23Å
94Y84Confident72.1Confident167 Ų167140.9 Ų140.966%0.65571%0.706SS**THydrogen-bonded Turntrans-68.9-11.7179.3-64.3-79.6000113.9E91 P92E91-Y94 HydrophobicContact CG-CE2 4.31Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 WeakPolarHBondContact O-CD2 3.41Å; P92-Y94 VanDerWaalsContact O-CE2 3.25Å; P92-Y94 WeakPolarHBondContact O-CE2 3.36Å; P92-Y94 PolarHBondContact O-N 3.24Å
95F81.2Confident73.6Confident143 Ų143139.6 Ų139.663%0.62771%0.709SS**THydrogen-bonded Turntrans-102.21.3-175.4-67.4-82.5000113.2D93 D97 M98 T99D93-F95 PolarHBondContact O-N 3.4Å; D93-F95 PolarHBondContact OD1-N 2.92Å; D93-F95 VanDerWaalsContact OD1-N 3.09Å; F95-D97 PolarHBondContact O-N 3.07Å; F95-M98 PolarHBondContact O-N 3.38Å; F95-T99 PolarHBondContact O-N 3.21Å
96K81.1Confident74.9Confident147 Ų147144 Ų14464%0.63973%0.727SS**G310 helixtrans-53.7-39.3179.2-164.6162-176.3172.50113D93 M98 T99D93-K96 PolarHBondContact OD1-N 3.23Å; K96-M98 VanDerWaalsContact C-N 3.32Å; K96-M98 PolarHBondContact O-N 3.38Å; K96-T99 PolarHBondContact O-OG1 3.11Å; K96-T99 VanDerWaalsContact O-OG1 3.11Å
97D82.9Confident76.2Confident159 Ų159148.8 Ų148.885%0.8573%0.731SS**G310 helixtrans-75.7-18.5178.5-71.3-5.5000113.6F95F95-D97 PolarHBondContact O-N 3.07Å
98M80.3Confident77.5Confident149 Ų149148.3 Ų148.373%0.73473%0.727SS**G310 helixtrans-93.8-7.4-178.5-67.6-61-62.100113.1F95 K96 P100F95-M98 PolarHBondContact O-N 3.38Å; K96-M98 VanDerWaalsContact C-N 3.32Å; K96-M98 PolarHBondContact O-N 3.38Å; M98-P100 WeakPolarHBondContact O-CD 3.45Å
99T81.6Confident78.6Confident91 Ų91147.5 Ų147.556%0.55873%0.731SS**SBendtrans-87.9119.418059.40000111.6F95 K96 T101F95-T99 PolarHBondContact O-N 3.21Å; K96-T99 PolarHBondContact O-OG1 3.11Å; K96-T99 VanDerWaalsContact O-OG1 3.11Å; T99-T101 PolarHBondContact O-N 2.88Å
100P82.7Confident79.7Confident107 Ų107147 Ų14770%0.69573%0.731SS**  trans-68.2135.8178.427-33.3000110.6M98 I102M98-P100 WeakPolarHBondContact O-CD 3.45Å; P100-I102 PolarHBondContact O-N 3.16Å
101T81.4Confident80.4Confident128 Ų128147.7 Ų147.779%0.78573%0.73SS**  trans-74.595.4175.9-60.60000110.3T99 R103T99-T101 PolarHBondContact O-N 2.88Å; T101-R103 HydrophobicContact CG2-CG 4.48Å; T101-R103 PolarHBondContact O-N 3.39Å
102I81.3Confident80.1Confident154 Ų154150.9 Ų150.979%0.7974%0.741SS**  trans-75.297.7179.4-57.2170.7000109.5P100P100-I102 PolarHBondContact O-N 3.16Å
103R81.9Confident79.4Confident215 Ų215158.3 Ų158.381%0.81176%0.759SS**  trans-77.4130.6168.4-64.5-174.8-178.9-176.31.2109.4T101 T105T101-R103 HydrophobicContact CG2-CG 4.48Å; T101-R103 PolarHBondContact O-N 3.39Å; R103-T105 PolarHBondContact O-N 2.92Å; R103-T105 VanDerWaalsContact O-N 3.11Å
104K82.1Confident78.5Confident207 Ų207161.1 Ų161.190%0.977%0.769SS**  trans-61.6114.9173.7-67.3-179.9179.3178.20108.9
105T80.4Confident77.1Confident133 Ų133158.3 Ų158.382%0.81677%0.771SS**  trans-68.5138.6177.8530000109.9R103 K107R103-T105 PolarHBondContact O-N 2.92Å; R103-T105 VanDerWaalsContact O-N 3.11Å; T105-K107 PolarHBondContact O-N 2.8Å
106Q80.5Confident75.5Confident184 Ų184158.3 Ų158.386%0.8678%0.776SS**  trans-69.9127.3176.2-68.2-179-6.500109.3I108Q106-I108 PolarHBondContact O-N 2.89Å; Q106-I108 VanDerWaalsContact O-N 3.09Å
107K80.3Confident74.2Confident189 Ų189158.5 Ų158.582%0.82278%0.784SS**  trans-73.8101.9179.5-174-179.6-179.4179.90109.8T105 V109T105-K107 PolarHBondContact O-N 2.8Å; K107-V109 HydrophobicContact CD-CG2 4.41Å; K107-V109 HydrophobicContact CG-CG2 4.22Å; K107-V109 PolarHBondContact O-N 2.78Å
108I79.9Confident72.6Confident152 Ų152159.4 Ų159.478%0.77978%0.781SS**  trans-77.1113.1171.4-53.9179.2000108.2Q106 I110Q106-I108 PolarHBondContact O-N 2.89Å; Q106-I108 VanDerWaalsContact O-N 3.09Å; I108-I110 HydrophobicContact CG2-CG1 4.37Å
109V78.8Confident70.8Confident106 Ų106155.9 Ų155.964%0.64278%0.783SS**  trans-94.8102.5174.6-179.80000108.6K107 K111K107-V109 HydrophobicContact CD-CG2 4.41Å; K107-V109 HydrophobicContact CG-CG2 4.22Å; K107-V109 PolarHBondContact O-N 2.78Å; V109-K111 PolarHBondContact O-N 3.38Å
110I78.6Confident69.2Low147 Ų147159.5 Ų159.575%0.75480%0.797SS**  trans-75.9109.2171.7-57.5173.2000107.5I108 K112I108-I110 HydrophobicContact CG2-CG1 4.37Å; I110-K112 PolarHBondContact O-N 3.19Å
111K75.1Confident67.7Low195 Ų195159.4 Ų159.485%0.84880%0.796SS**PPolyproline II helixtrans-65.4124.1170.2-70.5-175.7177.6179.90108.3V109 R113V109-K111 PolarHBondContact O-N 3.38Å; K111-R113 PolarHBondContact O-N 2.98Å
112K67.6Low66Low205 Ų205162.3 Ų162.389%0.89180%0.801SS**PPolyproline II helixtrans-65.2116.4174.1-45.9-176.2-171.9-175.70107.1I110 E114I110-K112 PolarHBondContact O-N 3.19Å; K112-E114 PolarHBondContact O-N 3.46Å
113R67.4Low64.4Low237 Ų237158.2 Ų158.289%0.89480%0.797SS**PPolyproline II helixtrans-65125.9168.5-175.3176-179.4169.7-0.1107K111K111-R113 PolarHBondContact O-N 2.98Å
114E60.1Low63.1Low169 Ų169156 Ų15679%0.7980%0.801SS**PPolyproline II helixtrans-52.4130.7174.7-170.3172.3-17400109.6K112 L116K112-E114 PolarHBondContact O-N 3.46Å; E114-L116 PolarHBondContact O-N 3.41Å
115P53.3Low61.6Low107 Ų107151.4 Ų151.470%0.69580%0.795SS**  trans-70100.8178.828.3-31.5000107.8N117P115-N117 PolarHBondContact O-N 2.87Å
116L49.4Very low60.6Low143 Ų143148.7 Ų148.775%0.74979%0.794SS**  trans-60.9105164.4-169.875.7000106.6E114 F118E114-L116 PolarHBondContact O-N 3.41Å; L116-F118 HydrophobicContact CD2-CD2 3.92Å; L116-F118 HydrophobicContact CD2-CE2 4.16Å; L116-F118 HydrophobicContact CG-CD2 3.91Å; L116-F118 HydrophobicContact CG-CE2 4.16Å; L116-F118 PolarHBondContact O-N 3.16Å
117N53.2Low59Low151 Ų151149.5 Ų149.581%0.80780%0.795SS**  trans-54.797.5172.4-77.6-77.3000109.5P115P115-N117 PolarHBondContact O-N 2.87Å
118F49.1Very low57.9Low179 Ų179146.1 Ų146.179%0.78580%0.795SS**  trans-138.7130.5155.4-82.9-79.9000108.2L116L116-F118 HydrophobicContact CD2-CD2 3.92Å; L116-F118 HydrophobicContact CD2-CE2 4.16Å; L116-F118 HydrophobicContact CG-CD2 3.91Å; L116-F118 HydrophobicContact CG-CE2 4.16Å; L116-F118 PolarHBondContact O-N 3.16Å
119G42.9Very low57.1Low74 Ų74142.4 Ų142.476%0.76378%0.782SS**  trans-54.9150.6-165.500000115.4
120I47.5Very low56.2Low167 Ų167149 Ų14986%0.85680%0.795SS**  trans-45.6132.3161.3-59.8172.7000107.9
121P50.7Low55.2Low106 Ų106149.5 Ų149.569%0.68880%0.799SS**  -142.9153.870.432.5-10.7000117.7
122E45.9Very low54.3Low189 Ų189143.6 Ų143.688%0.88379%0.787SS**  trans61.2123.8145.2-64.7-80.7152.200118.3
123G48.3Very low53.8Low68 Ų68138.7 Ų138.770%0.70178%0.784SS**  trans105.599156.100000116.5
124N55.2Low53.4Low168 Ų168132 Ų13290%0.89877%0.77SS**  trans5473.1137.2-153.656.6000118.4
125S50.1Low53.3Low111 Ų111133.2 Ų133.278%0.77678%0.775SS**  trans-121.679.9161.773.90000112.2F127S125-F127 PolarHBondContact O-N 2.8Å
126G59.3Low53.4Low76 Ų76135 Ų13578%0.78478%0.779SS**  trans43.266135.900000119.8
127F47.1Very low53.6Low201 Ų201134.4 Ų134.488%0.88278%0.776SS**  trans-86.6112.2146-75.9-82.1000108S125 S129S125-F127 PolarHBondContact O-N 2.8Å; F127-S129 VanDerWaalsContact C-N 3.29Å; F127-S129 PolarHBondContact O-N 2.93Å
128S57.5Low53.5Low118 Ų118132.6 Ų132.683%0.82577%0.772SS**  trans-66.883.7177.6168.50000110.7
129S61.5Low53.7Low73 Ų73132.3 Ų132.351%0.5177%0.771SS.*  trans-87.6113.2167.5-1770000109.5F127 L131 A132F127-S129 VanDerWaalsContact C-N 3.29Å; F127-S129 PolarHBondContact O-N 2.93Å; S129-L131 PolarHBondContact O-N 3.04Å; S129-L131 VanDerWaalsContact O-N 3.1Å; S129-A132 PolarHBondContact O-N 2.66Å
130R60.9Low54.4Low244 Ų244135.9 Ų135.992%0.92177%0.771SS**THydrogen-bonded Turntrans-70.16.3173.8-74.5-176.4135.5-175.7-4.7114.1
131L56.8Low54.5Low159 Ų159136.5 Ų136.583%0.83277%0.77SS**THydrogen-bonded Turntrans-103.2-0.4176.7-59.1177.9000112.9S129 A133S129-L131 PolarHBondContact O-N 3.04Å; S129-L131 VanDerWaalsContact O-N 3.1Å; L131-A133 PolarHBondContact O-N 3.48Å
132A56.8Low54.7Low71 Ų71139.5 Ų139.559%0.58778%0.775SS**  trans-77.289.6171.600000109S129 T134S129-A132 PolarHBondContact O-N 2.66Å; A132-T134 VanDerWaalsContact C-N 3.31Å; A132-T134 PolarHBondContact O-N 3.11Å
133A55.9Low54.8Low102 Ų102135.2 Ų135.284%0.84377%0.765SS**  trans-68.688.9169.800000109.1L131L131-A133 PolarHBondContact O-N 3.48Å
134T59Low55.2Low97 Ų97138.1 Ų138.160%0.59577%0.772SS**  trans-74.9122.4164.9550000107.8A132 D136A132-T134 VanDerWaalsContact C-N 3.31Å; A132-T134 PolarHBondContact O-N 3.11Å; T134-D136 PolarHBondContact O-N 3.2Å
135Q59.7Low55.3Low193 Ų193138.5 Ų138.590%0.90277%0.768SS**SBendtrans-71.411.6-169.3-131.9172.111.300115
136D55.3Low55.3Low145 Ų145141 Ų14178%0.77577%0.772SS**  trans-123.343-164.8-58.8-31.4000113T134T134-D136 PolarHBondContact O-N 3.2Å
137I52.6Low55.2Low131 Ų131141.2 Ų141.267%0.67277%0.774SS**  trans-113.2111.7170.4-57.9158.1000107.6F139I137-F139 PolarHBondContact O-N 2.95Å
138P52.2Low55.4Low113 Ų113138.3 Ų138.373%0.73477%0.768SS**  trans-63.6130.3179.925-31.5000110.1I140P138-I140 PolarHBondContact O-N 3.39Å; P138-I140 VanDerWaalsContact O-N 3.16Å
139F51.9Low54.9Low173 Ų173139.6 Ų139.676%0.75976%0.764SS**  trans-45.1113.2177.4-167.9-99.5000110.6I137 H141I137-F139 PolarHBondContact O-N 2.95Å; F139-H141 PolarHBondContact O-N 2.95Å
140I57.9Low54.6Low148 Ų148143.5 Ų143.576%0.75978%0.78SS**PPolyproline II helixtrans-62.5123.6179.5-63.6-179.3000108.4P138 Q142P138-I140 PolarHBondContact O-N 3.39Å; P138-I140 VanDerWaalsContact O-N 3.16Å; I140-Q142 PolarHBondContact O-N 3.25Å
141H50.3Low54.2Low181 Ų181137.3 Ų137.384%0.83877%0.769SS**PPolyproline II helixtrans-47.7127.6174.1-83.5-104.4000111.5F139 S143F139-H141 PolarHBondContact O-N 2.95Å; H141-S143 PolarHBondContact O-N 3.48Å
142Q55.1Low54.2Low169 Ų169139.8 Ų139.879%0.7977%0.767SS**PPolyproline II helixtrans-65.2117.7171.4-63.9175.1-30.700108.9I140I140-Q142 PolarHBondContact O-N 3.25Å
143S48.3Very low53.8Low98 Ų98144.5 Ų144.569%0.68578%0.777SS**PPolyproline II helixtrans-70.8140.9173.9175.90000110.6H141 E145H141-S143 PolarHBondContact O-N 3.48Å; S143-E145 VanDerWaalsContact C-N 3.34Å; S143-E145 PolarHBondContact O-N 3.32Å
144P56.6Low53.5Low129 Ų129149 Ų14984%0.83878%0.781SS**SBendtrans-87.824.3-173.736.6-35.9000115.1
145E56.9Low53.4Low177 Ų177150.9 Ų150.983%0.82779%0.787SS**  trans-117.952.1178.8-72.6-152.9159.700113.6S143S143-E145 VanDerWaalsContact C-N 3.34Å; S143-E145 PolarHBondContact O-N 3.32Å
146L49.8Very low53.2Low164 Ų164147.1 Ų147.186%0.85978%0.777SS**  trans-143.270.4158.8-154.567.2000109.6D148L146-D148 PolarHBondContact O-N 2.84Å
147G56.1Low53.2Low79 Ų79145.1 Ų145.181%0.81477%0.767SS**  trans-68.2104.8162.400000109.1
148D52.3Low53.3Low141 Ų141142.1 Ų142.175%0.75476%0.762SS**  trans-17733.9133-123.7-4000112.3L146 D150L146-D148 PolarHBondContact O-N 2.84Å; D148-D150 VanDerWaalsContact C-N 3.32Å; D148-D150 PolarHBondContact O-N 2.85Å
149L47.2Very low53.3Low145 Ų145146.7 Ų146.776%0.75976%0.764SS**  trans-99.243.8174.1-157.476.6000111
150D54.4Low53.2Low155 Ų155144.3 Ų144.383%0.82976%0.756SS**  trans-116.317.2-179.2-157.229.1000112.7D148D148-D150 VanDerWaalsContact C-N 3.32Å; D148-D150 PolarHBondContact O-N 2.85Å
151T53Low52.9Low113 Ų113144.5 Ų144.569%0.69375%0.753SS**  trans-127.12.3179.844.90000114.9Q153T151-Q153 PolarHBondContact O-N 3.28Å
152W57.2Low52.9Low212 Ų212141.9 Ų141.980%0.80374%0.741SS**SBendtrans-77.685.9162.8-68.494.2000107.9E154W152-E154 PolarHBondContact O-N 2.98Å
153Q48.2Very low52.8Low170 Ų170140.9 Ų140.979%0.79474%0.737SS**  trans-37.490.9171.7-159.8167.921.200111.8T151 N155T151-Q153 PolarHBondContact O-N 3.28Å; Q153-N155 HydrophobicContact CG-CB 4.48Å; Q153-N155 PolarHBondContact O-N 2.94Å
154E49.9Very low53.2Low197 Ų197141.4 Ų141.492%0.92173%0.732SS**  trans-69.126.7164.6-70-171.2150.600112.1W152W152-E154 PolarHBondContact O-N 2.98Å
155N56.2Low53.4Low135 Ų135137.8 Ų137.872%0.72271%0.713SS**  trans-131.180.2178.3-103.5-23.2000108.3Q153Q153-N155 HydrophobicContact CG-CB 4.48Å; Q153-N155 PolarHBondContact O-N 2.94Å
156T55.9Low53.5Low114 Ų114132.2 Ų132.270%0.69970%0.697SS**  trans163.596.8137.3-78.80000105.4A158T156-A158 PolarHBondContact O-N 3.07Å
157N54.6Low54.2Low104 Ų104132.7 Ų132.756%0.55669%0.687SS**  trans-60.885.1165.7-77.5-22.4000108.5W159 E160N157-W159 PolarHBondContact O-N 3.44Å; N157-E160 HydrophobicContact CB-CB 3.9Å; N157-E160 HydrophobicContact CB-CG 4.03Å; N157-E160 WeakPolarHBondContact CB-OE2 3.37Å; N157-E160 PolarHBondContact ND2-OE2 3.34Å; N157-E160 PolarHBondContact O-N 3.06Å; N157-E160 VanDerWaalsContact O-N 3.08Å
158A54.4Low54.7Low68 Ų68134.8 Ų134.856%0.56268%0.676SS**THydrogen-bonded Turntrans-62-6.5174.300000113.2T156T156-A158 PolarHBondContact O-N 3.07Å
159W52.2Low55.5Low208 Ų208130.6 Ų130.679%0.78866%0.661SS**THydrogen-bonded Turntrans-102-15.5177-63.4100.4000113.9N157N157-W159 PolarHBondContact O-N 3.44Å
160E50Low56.6Low124 Ų124130.6 Ų130.658%0.57966%0.657SS**Hα-helixtrans-78.3-29.2173-91.4-178.3150.700111.6N157 E162 E163 D164N157-E160 HydrophobicContact CB-CB 3.9Å; N157-E160 HydrophobicContact CB-CG 4.03Å; N157-E160 WeakPolarHBondContact CB-OE2 3.37Å; N157-E160 PolarHBondContact ND2-OE2 3.34Å; N157-E160 PolarHBondContact O-N 3.06Å; N157-E160 VanDerWaalsContact O-N 3.08Å; E160-E162 VanDerWaalsContact C-N 3.31Å; E160-E162 PolarHBondContact O-N 3.03Å; E160-E163 PolarHBondContact O-N 2.85Å; E160-D164 PolarHBondContact O-N 3.44Å
161E52.2Low57.7Low151 Ų151125.6 Ų125.671%0.70663%0.629SS**Hα-helixtrans-71-26.2-178.9-158.7172.4-167.700112.6A165E161-A165 WeakPolarHBondContact O-CB 3.47Å; E161-A165 PolarHBondContact O-N 2.77Å
162E51Low58.8Low126 Ų126124.6 Ų124.659%0.58962%0.623SS**Hα-helixtrans-79.5-31.5177.9-166.6170-163.600112.6E160 A165 A166E160-E162 VanDerWaalsContact C-N 3.31Å; E160-E162 PolarHBondContact O-N 3.03Å; E162-A165 PolarHBondContact O-N 3.49Å; E162-A166 WeakPolarHBondContact O-CB 3.13Å; E162-A166 PolarHBondContact O-N 3.39Å
163E52.2Low59.7Low149 Ų149120.3 Ų120.370%0.69662%0.615SS**Hα-helixtrans-71.7-40.1179-158.3170.9-166.200111.4E160 A166 W167E160-E163 PolarHBondContact O-N 2.85Å; E163-A166 PolarHBondContact O-N 3.41Å; E163-W167 PolarHBondContact O-N 3.34Å
164D57.1Low61.1Low108 Ų108118.6 Ų118.658%0.57860%0.601SS**Hα-helixtrans-66.8-38172.9-89.8-8.6000112.4E160 Q168E160-D164 PolarHBondContact O-N 3.44Å; D164-Q168 WeakPolarHBondContact O-CB 3.21Å; D164-Q168 VanDerWaalsContact O-CG 3.22Å; D164-Q168 WeakPolarHBondContact O-CG 3.3Å; D164-Q168 PolarHBondContact O-N 3.07Å
165A60.3Low62.6Low54 Ų54114.7 Ų114.745%0.44658%0.583SS.*Hα-helixtrans-67.6-38.8176.100000112.2E161 E162 A169E161-A165 WeakPolarHBondContact O-CB 3.47Å; E161-A165 PolarHBondContact O-N 2.77Å; E162-A165 PolarHBondContact O-N 3.49Å; A165-A169 WeakPolarHBondContact O-CB 3.43Å; A165-A169 PolarHBondContact O-N 3.12Å
166A59.8Low63.9Low59 Ų59114.7 Ų114.749%0.48858%0.578SS.*Hα-helixtrans-66.4-41.5176.400000112.1E162 E163 A169 E170E162-A166 WeakPolarHBondContact O-CB 3.13Å; E162-A166 PolarHBondContact O-N 3.39Å; E163-A166 PolarHBondContact O-N 3.41Å; A166-A169 PolarHBondContact O-N 3.07Å; A166-E170 PolarHBondContact O-N 3.24Å
167W64.4Low65.3Low174 Ų174116 Ų11666%0.65957%0.574SS**Hα-helixtrans-66.7-40177.8-163.382.5000112.2E163 E170 E171E163-W167 PolarHBondContact O-N 3.34Å; W167-E170 PolarHBondContact O-N 3.48Å; W167-E171 PolarHBondContact O-N 3Å
168Q65.3Low66.6Low123 Ų123115.1 Ų115.158%0.57557%0.569SS**Hα-helixtrans-64.3-40.2173.4-71.8176.131.500112.1D164 E171 V172D164-Q168 WeakPolarHBondContact O-CB 3.21Å; D164-Q168 VanDerWaalsContact O-CG 3.22Å; D164-Q168 WeakPolarHBondContact O-CG 3.3Å; D164-Q168 PolarHBondContact O-N 3.07Å; Q168-E171 PolarHBondContact O-N 3.05Å; Q168-V172 VanDerWaalsContact O-CG2 3.27Å; Q168-V172 WeakPolarHBondContact O-CG2 3.47Å; Q168-V172 PolarHBondContact O-N 3.21Å
169A69.5Low68Low54 Ų54114.4 Ų114.445%0.44656%0.563SS.*Hα-helixtrans-66.2-39.5176.400000112.6A165 A166 V172 L173A165-A169 WeakPolarHBondContact O-CB 3.43Å; A165-A169 PolarHBondContact O-N 3.12Å; A166-A169 PolarHBondContact O-N 3.07Å; A169-V172 PolarHBondContact O-N 3.46Å; A169-L173 PolarHBondContact O-N 3.32Å
170E70.9Confident69.6Low144 Ų144109 Ų10967%0.67355%0.547SS*.Hα-helixtrans-65.9-42.5176.7-172.8174.7179.300111.8A166 W167 L173 R174A166-E170 PolarHBondContact O-N 3.24Å; W167-E170 PolarHBondContact O-N 3.48Å; E170-L173 PolarHBondContact O-N 3.38Å; E170-R174 WeakPolarHBondContact O-CB 3.28Å; E170-R174 PolarHBondContact O-N 2.86Å
171E76.5Confident71.1Confident50 Ų50112.1 Ų112.123%0.23455%0.553CS.*Hα-helixtrans-66.1-38.6178.1-175.555.3-151.200111.8W167 Q168 L173 R174 Q175W167-E171 PolarHBondContact O-N 3Å; Q168-E171 PolarHBondContact O-N 3.05Å; E171-L173 PolarHBondContact O-N 2.87Å; E171-R174 WeakPolarHBondContact O-CB 3.33Å; E171-R174 PolarHBondContact O-N 3.42Å; E171-R174 IonicContact OE1-CZ 3.37Å; E171-R174 IonicContact OE1-NE 3.21Å; E171-R174 PolarHBondContact OE1-NE 3.11Å; E171-R174 IonicContact OE1-NH2 2.69Å; E171-R174 PolarHBondContact OE1-NH2 2.79Å; E171-R174 IonicContact OE2-CZ 3.49Å; E171-R174 IonicContact OE2-NE 2.79Å; E171-R174 PolarHBondContact OE2-NE 3.39Å; E171-R174 IonicContact OE2-NH2 3.48Å; E171-R174 PolarHBondContact OE2-NH2 3.21Å; E171-Q175 WeakPolarHBondContact O-CG 3.32Å; E171-Q175 PolarHBondContact O-N 2.9Å; E171-Q175 PolarHBondContact OE1-NE2 3.25Å
172V78Confident72.6Confident93 Ų93111.4 Ų111.456%0.56455%0.549SS*.Hα-helixtrans-61.8-43.7173170.40000111.1Q168 A169 R174 Q175 Q176Q168-V172 VanDerWaalsContact O-CG2 3.27Å; Q168-V172 WeakPolarHBondContact O-CG2 3.47Å; Q168-V172 PolarHBondContact O-N 3.21Å; A169-V172 PolarHBondContact O-N 3.46Å; V172-R174 VanDerWaalsContact C-N 3.32Å; V172-R174 PolarHBondContact O-N 2.88Å; V172-Q175 PolarHBondContact O-N 3.44Å; V172-Q176 WeakPolarHBondContact O-CB 3.35Å; V172-Q176 PolarHBondContact O-N 3.11Å
173L74.4Confident74.2Confident121 Ų121113 Ų11363%0.63455%0.554SS**Hα-helixtrans-63.7-38176.3-121.3109000112A169 E170 E171 Q176 K177A169-L173 PolarHBondContact O-N 3.32Å; E170-L173 PolarHBondContact O-N 3.38Å; E171-L173 PolarHBondContact O-N 2.87Å; L173-Q176 PolarHBondContact O-N 3.44Å; L173-K177 WeakPolarHBondContact O-CB 3.41Å; L173-K177 PolarHBondContact O-N 3.22Å
174R79.3Confident75.7Confident135 Ų135112.1 Ų112.151%0.50955%0.545SS..Hα-helixtrans-64.7-46176.5-166.9-174.376.7104.14.6111.1E170 E171 V172 K177 I178E170-R174 WeakPolarHBondContact O-CB 3.28Å; E170-R174 PolarHBondContact O-N 2.86Å; E171-R174 WeakPolarHBondContact O-CB 3.33Å; E171-R174 PolarHBondContact O-N 3.42Å; E171-R174 IonicContact OE1-CZ 3.37Å; E171-R174 IonicContact OE1-NE 3.21Å; E171-R174 PolarHBondContact OE1-NE 3.11Å; E171-R174 IonicContact OE1-NH2 2.69Å; E171-R174 PolarHBondContact OE1-NH2 2.79Å; E171-R174 IonicContact OE2-CZ 3.49Å; E171-R174 IonicContact OE2-NE 2.79Å; E171-R174 PolarHBondContact OE2-NE 3.39Å; E171-R174 IonicContact OE2-NH2 3.48Å; E171-R174 PolarHBondContact OE2-NH2 3.21Å; V172-R174 VanDerWaalsContact C-N 3.32Å; V172-R174 PolarHBondContact O-N 2.88Å; R174-K177 PolarHBondContact O-N 3.26Å; R174-I178 HydrophobicContact CG-CD1 4.3Å; R174-I178 WeakPolarHBondContact O-CG1 3.47Å; R174-I178 PolarHBondContact O-N 3.49Å
175Q81.3Confident77.1Confident115 Ų115109.2 Ų109.254%0.53754%0.536SS..Hα-helixtrans-63.7-42.4176.4-71.8-170.29.900111.9E171 V172 K177 I178 A179E171-Q175 WeakPolarHBondContact O-CG 3.32Å; E171-Q175 PolarHBondContact O-N 2.9Å; E171-Q175 PolarHBondContact OE1-NE2 3.25Å; V172-Q175 PolarHBondContact O-N 3.44Å; Q175-K177 VanDerWaalsContact C-N 3.3Å; Q175-K177 PolarHBondContact O-N 3.07Å; Q175-I178 PolarHBondContact O-N 2.91Å; Q175-A179 WeakPolarHBondContact O-CB 3.42Å; Q175-A179 PolarHBondContact O-N 2.69Å
176Q82.9Confident78.3Confident134 Ų134108.9 Ų108.963%0.62653%0.533SS*.Hα-helixtrans-60.7-40.5176.1-168.7177.11800111.8V172 L173 A179 E180V172-Q176 WeakPolarHBondContact O-CB 3.35Å; V172-Q176 PolarHBondContact O-N 3.11Å; L173-Q176 PolarHBondContact O-N 3.44Å; Q176-A179 PolarHBondContact O-N 2.97Å; Q176-E180 WeakPolarHBondContact O-CB 3.44Å; Q176-E180 PolarHBondContact O-N 3.41Å
177K84.2Confident79.5Confident142 Ų142112.3 Ų112.362%0.61754%0.539SS*.Hα-helixtrans-67.6-35.8177.2-167.6175.6-173169.40112.9L173 R174 Q175 R181L173-K177 WeakPolarHBondContact O-CB 3.41Å; L173-K177 PolarHBondContact O-N 3.22Å; R174-K177 PolarHBondContact O-N 3.26Å; Q175-K177 VanDerWaalsContact C-N 3.3Å; Q175-K177 PolarHBondContact O-N 3.07Å; K177-R181 WeakPolarHBondContact O-CB 3.43Å; K177-R181 PolarHBondContact O-N 3.5Å; K177-R181 VanDerWaalsContact O-N 3.11Å
178I83.6Confident80.6Confident86 Ų86110.1 Ų110.144%0.44154%0.536SS..Hα-helixtrans-69.1-45.9174.8-67.7164.7000109.8R174 Q175 E180 R181 E182R174-I178 HydrophobicContact CG-CD1 4.3Å; R174-I178 WeakPolarHBondContact O-CG1 3.47Å; R174-I178 PolarHBondContact O-N 3.49Å; Q175-I178 PolarHBondContact O-N 2.91Å; I178-E180 PolarHBondContact O-N 3.35Å; I178-R181 PolarHBondContact O-N 2.91Å; I178-E182 WeakPolarHBondContact O-CB 3.34Å; I178-E182 PolarHBondContact O-N 3.48Å
179A83.4Confident81.6Confident53 Ų53110.5 Ų110.544%0.43854%0.538SS..Hα-helixtrans-62.6-39.117700000112.5Q175 Q176 E182 K183Q175-A179 WeakPolarHBondContact O-CB 3.42Å; Q175-A179 PolarHBondContact O-N 2.69Å; Q176-A179 PolarHBondContact O-N 2.97Å; A179-E182 PolarHBondContact O-N 3.04Å; A179-K183 VanDerWaalsContact O-CB 3.27Å; A179-K183 WeakPolarHBondContact O-CB 3.41Å; A179-K183 PolarHBondContact O-N 3.37Å
180E85.4Confident82.4Confident95 Ų95116.9 Ų116.944%0.44455%0.55SS.*Hα-helixtrans-64.6-42.7175-170.1-135.5147.600111.6Q176 I178 K183 R184Q176-E180 WeakPolarHBondContact O-CB 3.44Å; Q176-E180 PolarHBondContact O-N 3.41Å; I178-E180 PolarHBondContact O-N 3.35Å; E180-K183 PolarHBondContact O-N 3.32Å; E180-R184 WeakPolarHBondContact O-CB 3.34Å; E180-R184 PolarHBondContact O-N 3Å; E180-R184 IonicContact OE1-CZ 3.24Å; E180-R184 VanDerWaalsContact OE1-CZ 3.24Å; E180-R184 IonicContact OE1-NH1 3.04Å; E180-R184 PolarHBondContact OE1-NH1 2.96Å; E180-R184 IonicContact OE1-NH2 2.66Å; E180-R184 PolarHBondContact OE1-NH2 3.47Å
181R81.4Confident83.3Confident189 Ų189117.3 Ų117.371%0.71355%0.55SS**Hα-helixtrans-64.6-42.2176-178.8-178.8-80.7-175-4.9111.5K177 I178 R184 A185K177-R181 WeakPolarHBondContact O-CB 3.43Å; K177-R181 PolarHBondContact O-N 3.5Å; K177-R181 VanDerWaalsContact O-N 3.11Å; I178-R181 PolarHBondContact O-N 2.91Å; R181-R184 PolarHBondContact O-N 3.07Å; R181-A185 PolarHBondContact O-N 3.49Å
182E84.7Confident84Confident135 Ų135122 Ų12263%0.63157%0.569SS**Hα-helixtrans-65.9-43.6177.4-172.8174.2-171.800111.5I178 A179 R184 A185 A186I178-E182 WeakPolarHBondContact O-CB 3.34Å; I178-E182 PolarHBondContact O-N 3.48Å; A179-E182 PolarHBondContact O-N 3.04Å; E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 3.07Å; E182-A185 PolarHBondContact O-N 3.3Å; E182-A185 VanDerWaalsContact O-N 3.11Å; E182-A186 WeakPolarHBondContact O-CB 3.39Å; E182-A186 PolarHBondContact O-N 3.43Å
183K83.8Confident84.5Confident159 Ų159123.1 Ų123.169%0.69157%0.57SS**Hα-helixtrans-59-43175-171.2179.1-179.3-178.60111.7A179 E180 A185 A186 E187A179-K183 VanDerWaalsContact O-CB 3.27Å; A179-K183 WeakPolarHBondContact O-CB 3.41Å; A179-K183 PolarHBondContact O-N 3.37Å; E180-K183 PolarHBondContact O-N 3.32Å; K183-A185 VanDerWaalsContact C-N 3.35Å; K183-A185 PolarHBondContact O-N 3.05Å; K183-A186 PolarHBondContact O-N 3.13Å; K183-E187 WeakPolarHBondContact O-CB 3.47Å; K183-E187 PolarHBondContact O-N 3.46Å
184R83.6Confident85Confident131 Ų131124.2 Ų124.249%0.49457%0.572SS.*Hα-helixtrans-63.8-38.6175.8-173.2-178.1-74.8119.3-2.8112E180 R181 E182 Q188E180-R184 WeakPolarHBondContact O-CB 3.34Å; E180-R184 PolarHBondContact O-N 3Å; E180-R184 IonicContact OE1-CZ 3.24Å; E180-R184 VanDerWaalsContact OE1-CZ 3.24Å; E180-R184 IonicContact OE1-NH1 3.04Å; E180-R184 PolarHBondContact OE1-NH1 2.96Å; E180-R184 IonicContact OE1-NH2 2.66Å; E180-R184 PolarHBondContact OE1-NH2 3.47Å; R181-R184 PolarHBondContact O-N 3.07Å; E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 3.07Å; R184-Q188 VanDerWaalsContact O-CG 3.29Å; R184-Q188 WeakPolarHBondContact O-CG 3.38Å; R184-Q188 PolarHBondContact O-N 3.43Å
185A85.8Confident85.4Confident48 Ų48124.1 Ų124.140%0.39758%0.575SS.*Hα-helixtrans-69.4-42.4176.500000111.9R181 E182 K183 Q188 Q189R181-A185 PolarHBondContact O-N 3.49Å; E182-A185 PolarHBondContact O-N 3.3Å; E182-A185 VanDerWaalsContact O-N 3.11Å; K183-A185 VanDerWaalsContact C-N 3.35Å; K183-A185 PolarHBondContact O-N 3.05Å; A185-Q188 PolarHBondContact O-N 3.47Å; A185-Q189 WeakPolarHBondContact O-CG 3.27Å; A185-Q189 PolarHBondContact O-N 2.9Å
186A85.5Confident85.7Confident46 Ų46123.9 Ų123.938%0.3857%0.574SS.*Hα-helixtrans-64.1-40.7177.500000111.9E182 K183 Q189 R190E182-A186 WeakPolarHBondContact O-CB 3.39Å; E182-A186 PolarHBondContact O-N 3.43Å; K183-A186 PolarHBondContact O-N 3.13Å; A186-Q189 PolarHBondContact O-N 2.94Å; A186-R190 WeakPolarHBondContact O-CG 3.4Å; A186-R190 PolarHBondContact O-N 3.33Å
187E85.4Confident85.9Confident132 Ų132119.7 Ų119.762%0.61756%0.563SS**Hα-helixtrans-64.3-41.1175.9-168.6-177.3163.200111.9K183 Q189 R190 K191K183-E187 WeakPolarHBondContact O-CB 3.47Å; K183-E187 PolarHBondContact O-N 3.46Å; E187-Q189 VanDerWaalsContact C-N 3.33Å; E187-Q189 PolarHBondContact O-N 2.93Å; E187-R190 PolarHBondContact O-N 3.43Å; E187-K191 WeakPolarHBondContact O-CB 3.39Å; E187-K191 PolarHBondContact O-N 3.28Å
188Q88Confident85.9Confident127 Ų127119.7 Ų119.759%0.59357%0.565SS**Hα-helixtrans-63.9-38.9173.9-72.8177.610.800112.1R184 A185 K192R184-Q188 VanDerWaalsContact O-CG 3.29Å; R184-Q188 WeakPolarHBondContact O-CG 3.38Å; R184-Q188 PolarHBondContact O-N 3.43Å; A185-Q188 PolarHBondContact O-N 3.47Å; Q188-K192 WeakPolarHBondContact O-CB 3.45Å; Q188-K192 PolarHBondContact O-N 3.34Å
189Q86.8Confident85.9Confident131 Ų131124.1 Ų124.161%0.61258%0.576SS**Hα-helixtrans-67.1-43174.8-74.4-169.5-17.800112.2A185 A186 E187 K191 K192 M193A185-Q189 WeakPolarHBondContact O-CG 3.27Å; A185-Q189 PolarHBondContact O-N 2.9Å; A186-Q189 PolarHBondContact O-N 2.94Å; E187-Q189 VanDerWaalsContact C-N 3.33Å; E187-Q189 PolarHBondContact O-N 2.93Å; Q189-K191 PolarHBondContact O-N 3.38Å; Q189-K192 WeakPolarHBondContact O-CB 3.45Å; Q189-K192 PolarHBondContact O-N 3.19Å; Q189-K192 VanDerWaalsContact O-N 3.17Å; Q189-M193 WeakPolarHBondContact O-CG 3.34Å; Q189-M193 PolarHBondContact O-N 3.22Å
190R85.7Confident85.8Confident189 Ų189126.5 Ų126.571%0.71358%0.58SS**Hα-helixtrans-60-45.3174.4-72.8-170.979.9-1805111.6A186 E187 K192 M193 E194A186-R190 WeakPolarHBondContact O-CG 3.4Å; A186-R190 PolarHBondContact O-N 3.33Å; E187-R190 PolarHBondContact O-N 3.43Å; R190-K192 VanDerWaalsContact C-N 3.28Å; R190-K192 PolarHBondContact O-N 2.98Å; R190-M193 HydrophobicContact CG-CE 4.22Å; R190-M193 PolarHBondContact O-N 3.08Å; R190-E194 WeakPolarHBondContact O-CB 3.45Å; R190-E194 PolarHBondContact O-N 3.42Å
191K89Confident85.4Confident153 Ų153127.9 Ų127.967%0.66559%0.589SS**Hα-helixtrans-62.7-34.6176-169.4169.4-172.4168.10112.5E187 Q189 K195E187-K191 WeakPolarHBondContact O-CB 3.39Å; E187-K191 PolarHBondContact O-N 3.28Å; Q189-K191 PolarHBondContact O-N 3.38Å; K191-K195 WeakPolarHBondContact O-CB 3.41Å; K191-K195 PolarHBondContact O-N 2.91Å; K191-K195 VanDerWaalsContact O-N 3.08Å
192K91.9Very high85.3Confident147 Ų147125.5 Ų125.564%0.63958%0.583SS**Hα-helixtrans-67.7-46.8174-172.7-176175.4-169.90111.3Q188 Q189 R190 K195 E196Q188-K192 WeakPolarHBondContact O-CB 3.45Å; Q188-K192 PolarHBondContact O-N 3.34Å; Q189-K192 WeakPolarHBondContact O-CB 3.45Å; Q189-K192 PolarHBondContact O-N 3.19Å; Q189-K192 VanDerWaalsContact O-N 3.17Å; R190-K192 VanDerWaalsContact C-N 3.28Å; R190-K192 PolarHBondContact O-N 2.98Å; K192-K195 PolarHBondContact O-N 3.42Å; K192-E196 WeakPolarHBondContact O-CB 3.37Å; K192-E196 PolarHBondContact O-N 3.32Å
193M87.4Confident84.8Confident118 Ų118125.2 Ų125.258%0.58158%0.58SS**Hα-helixtrans-62.6-41.1178.1-70.4-171.4-66.500111.9Q189 R190 E196 A197Q189-M193 WeakPolarHBondContact O-CG 3.34Å; Q189-M193 PolarHBondContact O-N 3.22Å; R190-M193 HydrophobicContact CG-CE 4.22Å; R190-M193 PolarHBondContact O-N 3.08Å; M193-E196 PolarHBondContact O-N 2.93Å; M193-A197 WeakPolarHBondContact O-CB 3.38Å; M193-A197 PolarHBondContact O-N 2.83Å
194E84.9Confident84.1Confident143 Ų143123.6 Ų123.667%0.66858%0.575SS**Hα-helixtrans-63.7-45.1175.9-173.2-178.4178.300111.8R190 E196 A197 Q198R190-E194 WeakPolarHBondContact O-CB 3.45Å; R190-E194 PolarHBondContact O-N 3.42Å; E194-E196 VanDerWaalsContact C-N 3.29Å; E194-E196 PolarHBondContact O-N 3.35Å; E194-A197 PolarHBondContact O-N 3.09Å; E194-Q198 WeakPolarHBondContact O-CB 3.4Å; E194-Q198 PolarHBondContact O-N 3.3Å
195K89.2Confident83.3Confident134 Ų134124.1 Ų124.158%0.58358%0.583SS**Hα-helixtrans-64-34.9175.8-173175.3-177.5175.80112.4K191 K192 R199K191-K195 WeakPolarHBondContact O-CB 3.41Å; K191-K195 PolarHBondContact O-N 2.91Å; K191-K195 VanDerWaalsContact O-N 3.08Å; K192-K195 PolarHBondContact O-N 3.42Å; K195-R199 WeakPolarHBondContact O-CG 3.22Å; K195-R199 PolarHBondContact O-N 3.36Å; K195-R199 VanDerWaalsContact O-N 3.12Å
196E87.4Confident82.2Confident110 Ų110127.3 Ų127.351%0.51459%0.594SS.*Hα-helixtrans-72.2-42.3176.4-172.6170.4-17900111.9K192 M193 E194 Q198 R199 L200K192-E196 WeakPolarHBondContact O-CB 3.37Å; K192-E196 PolarHBondContact O-N 3.32Å; M193-E196 PolarHBondContact O-N 2.93Å; E194-E196 VanDerWaalsContact C-N 3.29Å; E194-E196 PolarHBondContact O-N 3.35Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-Q198 PolarHBondContact O-N 3.27Å; E196-R199 WeakPolarHBondContact O-CB 3.27Å; E196-R199 PolarHBondContact O-N 3.36Å; E196-R199 VanDerWaalsContact O-N 3.16Å; E196-L200 PolarHBondContact O-N 3.4Å
197A87Confident81.1Confident46 Ų46132 Ų13238%0.3861%0.605SS.*Hα-helixtrans-59.5-43.6173.100000111.4M193 E194 R199 L200 M201M193-A197 WeakPolarHBondContact O-CB 3.38Å; M193-A197 PolarHBondContact O-N 2.83Å; E194-A197 PolarHBondContact O-N 3.09Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.1Å; A197-L200 WeakPolarHBondContact O-CB 3.45Å; A197-L200 PolarHBondContact O-N 3.11Å; A197-L200 VanDerWaalsContact O-N 3.15Å; A197-M201 WeakPolarHBondContact O-CG 3.48Å; A197-M201 PolarHBondContact O-N 3.07Å
198Q83.9Confident80Confident141 Ų141132.6 Ų132.666%0.65961%0.611SS**Hα-helixtrans-64.7-35.5176.7-161.7175.942.100112.3E194 E196 K202E194-Q198 WeakPolarHBondContact O-CB 3.4Å; E194-Q198 PolarHBondContact O-N 3.3Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-Q198 PolarHBondContact O-N 3.27Å; Q198-K202 WeakPolarHBondContact O-CB 3.25Å; Q198-K202 PolarHBondContact O-N 3Å
199R83.4Confident78.6Confident179 Ų179129.7 Ų129.768%0.67562%0.615SS**Hα-helixtrans-66.9-39.4172.2-79.9176.7153-160-6.8112.3K195 E196 A197 K202 K203K195-R199 WeakPolarHBondContact O-CG 3.22Å; K195-R199 PolarHBondContact O-N 3.36Å; K195-R199 VanDerWaalsContact O-N 3.12Å; E196-R199 WeakPolarHBondContact O-CB 3.27Å; E196-R199 PolarHBondContact O-N 3.36Å; E196-R199 VanDerWaalsContact O-N 3.16Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.1Å; R199-K202 PolarHBondContact O-N 3.02Å; R199-K203 WeakPolarHBondContact O-CB 3.39Å; R199-K203 PolarHBondContact O-N 3.09Å
200L81.1Confident77.2Confident103 Ų103128.8 Ų128.854%0.53962%0.618SS.*Hα-helixtrans-63.8-47.9176.2-106.9147000111.1E196 A197 K202 K203 E204E196-L200 PolarHBondContact O-N 3.4Å; A197-L200 WeakPolarHBondContact O-CB 3.45Å; A197-L200 PolarHBondContact O-N 3.11Å; A197-L200 VanDerWaalsContact O-N 3.15Å; L200-K202 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.47Å; L200-K203 PolarHBondContact O-N 3.11Å; L200-K203 VanDerWaalsContact O-N 3.13Å; L200-E204 WeakPolarHBondContact O-CB 3.44Å; L200-E204 PolarHBondContact O-N 2.97Å
201M78.3Confident75.7Confident125 Ų125128.8 Ų128.862%0.61662%0.623SS**Hα-helixtrans-59.1-42.8175.1-70.4-179.617500112A197 K203 E204 Q205A197-M201 WeakPolarHBondContact O-CG 3.48Å; A197-M201 PolarHBondContact O-N 3.07Å; M201-K203 PolarHBondContact O-N 3.48Å; M201-E204 PolarHBondContact O-N 2.95Å; M201-Q205 WeakPolarHBondContact O-CG 3.37Å; M201-Q205 PolarHBondContact O-N 2.97Å
202K77.8Confident74.3Confident139 Ų139129.8 Ų129.860%0.60464%0.635SS**Hα-helixtrans-66.6-36.2176.1-165.9172.6-176.2175.40112.5Q198 R199 L200 N206Q198-K202 WeakPolarHBondContact O-CB 3.25Å; Q198-K202 PolarHBondContact O-N 3Å; R199-K202 PolarHBondContact O-N 3.02Å; L200-K202 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.47Å; K202-N206 VanDerWaalsContact O-CG 3.24Å; K202-N206 PolarHBondContact O-N 2.9Å; K202-N206 VanDerWaalsContact O-N 3.12Å; K202-N206 PolarHBondContact O-ND2 3.38Å; K202-N206 VanDerWaalsContact O-ND2 3.14Å
203K75.6Confident72.3Confident129 Ų129131.6 Ų131.656%0.56167%0.667SS**Hα-helixtrans-69.8-36.1175.5-172.6178.3-179.3-1800111.7R199 L200 M201 N206 K207R199-K203 WeakPolarHBondContact O-CB 3.39Å; R199-K203 PolarHBondContact O-N 3.09Å; L200-K203 PolarHBondContact O-N 3.11Å; L200-K203 VanDerWaalsContact O-N 3.13Å; M201-K203 PolarHBondContact O-N 3.48Å; K203-N206 PolarHBondContact O-N 2.82Å; K203-K207 WeakPolarHBondContact O-CG 2.99Å; K203-K207 PolarHBondContact O-N 2.78Å
204E68.7Low71.5Confident125 Ų125132.3 Ų132.358%0.58467%0.671SS**Hα-helixtrans-68.6-43.5176.8-167170.4-171.900111.4L200 M201 N206 K207L200-E204 WeakPolarHBondContact O-CB 3.44Å; L200-E204 PolarHBondContact O-N 2.97Å; M201-E204 PolarHBondContact O-N 2.95Å; E204-N206 VanDerWaalsContact C-N 3.27Å; E204-N206 PolarHBondContact O-N 3.16Å; E204-K207 PolarHBondContact O-N 3.23Å
205Q65.6Low70.8Confident142 Ų142131.7 Ų131.766%0.66467%0.671SS**Hα-helixtrans-57-39.9169.7-72.7177.5-7.900112.3M201 K207 I208M201-Q205 WeakPolarHBondContact O-CG 3.37Å; M201-Q205 PolarHBondContact O-N 2.97Å; Q205-K207 VanDerWaalsContact C-N 3.3Å; Q205-K207 PolarHBondContact O-N 3.33Å; Q205-I208 PolarHBondContact O-N 2.81Å
206N64.2Low69.8Low115 Ų115131.6 Ų131.662%0.61568%0.676SS**Hα-helixtrans-71.9-16.4177.3-73.2-28.3000114.5K202 K203 E204K202-N206 VanDerWaalsContact O-CG 3.24Å; K202-N206 PolarHBondContact O-N 2.9Å; K202-N206 VanDerWaalsContact O-N 3.12Å; K202-N206 PolarHBondContact O-ND2 3.38Å; K202-N206 VanDerWaalsContact O-ND2 3.14Å; K203-N206 PolarHBondContact O-N 2.82Å; E204-N206 VanDerWaalsContact C-N 3.27Å; E204-N206 PolarHBondContact O-N 3.16Å
207K62Low68.7Low144 Ų144132.9 Ų132.963%0.62669%0.685SS**Hα-helixtrans-84.8-21.3177.3-75.9175.1178-1700113.3K203 E204 Q205 G209K203-K207 WeakPolarHBondContact O-CG 2.99Å; K203-K207 PolarHBondContact O-N 2.78Å; E204-K207 PolarHBondContact O-N 3.23Å; Q205-K207 VanDerWaalsContact C-N 3.3Å; Q205-K207 PolarHBondContact O-N 3.33Å; K207-G209 PolarHBondContact O-N 3.49Å
208I61.8Low67.6Low144 Ų144138.3 Ų138.374%0.73871%0.705SS**THydrogen-bonded Turntrans-74.6-16.8178.5-65.6159.8000111.4Q205Q205-I208 PolarHBondContact O-N 2.81Å
209G58.4Low66.5Low66 Ų66138.1 Ų138.168%0.6871%0.708SS**THydrogen-bonded Turntrans-96.214.5-175.900000116.9K207 K211K207-G209 PolarHBondContact O-N 3.49Å; G209-K211 PolarHBondContact O-N 3.3Å
210V57.6Low65.3Low112 Ų112135.2 Ų135.268%0.67971%0.71SS**  trans-87.294.9173.1-178.60000108.7L212V210-L212 PolarHBondContact O-N 3.32Å; V210-L212 VanDerWaalsContact O-N 3.11Å
211K55.5Low64.1Low189 Ų189137.7 Ų137.782%0.82272%0.723SS**  trans-59.4111.6165.6-102.2179.5172-1800108.3G209 S213G209-K211 PolarHBondContact O-N 3.3Å; K211-S213 PolarHBondContact O-N 3.22Å
212L59Low62.9Low175 Ų175138.8 Ų138.892%0.91673%0.732SS**  trans-58.5115.5164.6-67.9165.7000107.3V210V210-L212 PolarHBondContact O-N 3.32Å; V210-L212 VanDerWaalsContact O-N 3.11Å
213S48.6Very low61.5Low185 Ų185138.7 Ų138.7100%1.29474%0.744SS**  trans-115.70169.4-48.80000107.9K211K211-S213 PolarHBondContact O-N 3.22Å

Retrieved 213 of 213 residues in 79.8 ms (Link to these results)

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