A0A093JGY8_STRCA Loading...

Rab11 family-interacting protein 2

A Rab11 effector binding preferentially phosphatidylinositol 3,4,5-trisphosphate (PtdInsP3) and phosphatidic acid (PA) and acting in the regulation of the transport of vesicles from the endosomal recycling compartment (ERC) to the plasma membrane. Involved in insulin granule exocytosis. Also involved in receptor-mediated endocytosis and membrane trafficking of recycling endosomes, probably originating from clathrin-coated vesicles. Required in a complex with MYO5B and RAB11 for the transport of NPC1L1 to the plasma membrane. Also acts as a regulator of cell polarity. Plays an essential role in phagocytosis through a mechanism involving TICAM2, RAC1 and CDC42 Rho GTPases for controlling actin-dynamics.

AlphaFold DB , UniProt , Accession A0A093JGY8, Species STRCA (Struthio camelus australis), Gene n/a, Length 510 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
1M42Very low52.1Low215 Ų215123 Ų123100%1.05963%0.629SS**  0143.90-78.8174.4156.600108.8E5M1-E5 WeakPolarHBondContact CG-OE2 3.36Å
2M42.6Very low54.8Low144 Ų144112.9 Ų112.971%0.70958%0.577SS**  trans-97.6147.8179.9-63.8-171.9-66.900110.6A4 E5M2-A4 PolarHBondContact O-N 2.64Å; M2-A4 VanDerWaalsContact O-N 3.13Å; M2-E5 VanDerWaalsContact O-CB 3.25Å; M2-E5 WeakPolarHBondContact O-CB 3.49Å; M2-E5 PolarHBondContact O-N 2.78Å
3L50.3Low57.1Low147 Ų147106.8 Ų106.877%0.7755%0.549SS*.Hα-helixtrans-55.4-31.3177.4-76.8155.2000113.2E5 Q6 A7L3-E5 PolarHBondContact O-N 3.43Å; L3-Q6 PolarHBondContact O-N 3.23Å; L3-A7 PolarHBondContact O-N 3.22Å
4A44.3Very low59.3Low72 Ų72102.2 Ų102.260%0.59552%0.524SS*.Hα-helixtrans-59.8-27.9175.200000113.9M2M2-A4 PolarHBondContact O-N 2.64Å; M2-A4 VanDerWaalsContact O-N 3.13Å
5E45Very low61.6Low115 Ų11595.4 Ų95.454%0.53749%0.489SS..Hα-helixtrans-78.3-30.9-179.2-162.6170.3-151.900111.5M1 M2 L3M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; M2-E5 VanDerWaalsContact O-CB 3.25Å; M2-E5 WeakPolarHBondContact O-CB 3.49Å; M2-E5 PolarHBondContact O-N 2.78Å; L3-E5 PolarHBondContact O-N 3.43Å
6Q47.3Very low63.6Low123 Ų12391.7 Ų91.758%0.57547%0.469SS*.Hα-helixtrans-70.3-32.2173-70.7179.6-30.100112.2L3 Q8 K9L3-Q6 PolarHBondContact O-N 3.23Å; Q6-Q8 PolarHBondContact O-N 3.17Å; Q6-K9 PolarHBondContact O-N 2.85Å
7A46.4Very low65.6Low88 Ų8886.3 Ų86.373%0.72744%0.441SS*.THydrogen-bonded Turntrans-63.3-23.8-179.200000114L3L3-A7 PolarHBondContact O-N 3.22Å
8Q46.3Very low67.4Low179 Ų17982.7 Ų82.784%0.83642%0.424SS*.THydrogen-bonded Turntrans-90.4-11177.7-69.3-168.4-18.300114.3Q6 W10Q6-Q8 PolarHBondContact O-N 3.17Å; Q8-W10 PolarHBondContact O-N 2.61Å
9K59.7Low69Low114 Ų11478.4 Ų78.450%0.49640%0.402SS..SBendtrans-80121.6-179.9-169.1169.1179.5-177.50110Q6 F11Q6-K9 PolarHBondContact O-N 2.85Å; K9-F11 HydrophobicContact CB-CD2 4.37Å; K9-F11 HydrophobicContact CB-CE2 3.73Å; K9-F11 HydrophobicContact CB-CZ 4.1Å; K9-F11 HydrophobicContact CD-CE1 4.14Å; K9-F11 HydrophobicContact CD-CE2 4.26Å; K9-F11 HydrophobicContact CD-CZ 3.74Å; K9-F11 HydrophobicContact CG-CD2 4.49Å; K9-F11 HydrophobicContact CG-CE1 4.42Å; K9-F11 HydrophobicContact CG-CE2 3.98Å; K9-F11 HydrophobicContact CG-CZ 3.95Å; K9-F11 WeakPolarHBondContact O-CD2 3.34Å; K9-F11 PolarHBondContact O-N 3.5Å
10W72.9Confident70.5Confident122 Ų12276.5 Ų76.546%0.46239%0.392SS..  trans-70.3121.8171.5-174.692.3000109.8Q8 P12 F109 F142 R144Q8-W10 PolarHBondContact O-N 2.61Å; W10-P12 HydrophobicContact CH2-CB 3.9Å; W10-P12 HydrophobicContact CZ3-CB 3.94Å; W10-P12 HydrophobicContact CZ3-CG 4.34Å; W10-F109 HydrophobicContact CE3-CE2 4.07Å; W10-F109 AromaticContact CZ3-CE2 3.92Å; W10-F109 HydrophobicContact CZ3-CE2 3.92Å; W10-F142 HydrophobicContact CH2-CB 4.04Å; W10-F142 HydrophobicContact CZ3-CB 4.15Å; W10-R144 HydrophobicContact CZ2-CB 3.6Å
11F75.9Confident71.8Confident34 Ų3475.7 Ų75.715%0.14939%0.387CS..  trans-114.1137.3171.6-65.4-86.8000109.5K9 L71 R144K9-F11 HydrophobicContact CB-CD2 4.37Å; K9-F11 HydrophobicContact CB-CE2 3.73Å; K9-F11 HydrophobicContact CB-CZ 4.1Å; K9-F11 HydrophobicContact CD-CE1 4.14Å; K9-F11 HydrophobicContact CD-CE2 4.26Å; K9-F11 HydrophobicContact CD-CZ 3.74Å; K9-F11 HydrophobicContact CG-CD2 4.49Å; K9-F11 HydrophobicContact CG-CE1 4.42Å; K9-F11 HydrophobicContact CG-CE2 3.98Å; K9-F11 HydrophobicContact CG-CZ 3.95Å; K9-F11 WeakPolarHBondContact O-CD2 3.34Å; K9-F11 PolarHBondContact O-N 3.5Å; F11-L71 HydrophobicContact CB-CD2 3.66Å; F11-L71 HydrophobicContact CD1-CD2 3.93Å; F11-L71 HydrophobicContact CD2-CD2 3.6Å; F11-L71 HydrophobicContact CE1-CD2 4.43Å; F11-L71 HydrophobicContact CE2-CD2 4.15Å; F11-L71 HydrophobicContact CG-CD2 3.47Å; F11-L71 VanDerWaalsContact CG-CD2 3.47Å; F11-R144 VanDerWaalsContact O-CD 3.26Å; F11-R144 WeakPolarHBondContact O-CD 3.29Å
12P84.5Confident74.5Confident2 Ų265.5 Ų65.51%0.01334%0.337CS..  trans-77.2153.8173.333.1-33.9000110.8W10 L68 L72 F109 F142 M143W10-P12 HydrophobicContact CH2-CB 3.9Å; W10-P12 HydrophobicContact CZ3-CB 3.94Å; W10-P12 HydrophobicContact CZ3-CG 4.34Å; P12-L68 HydrophobicContact CB-CD1 3.9Å; P12-L68 HydrophobicContact CG-CD1 3.77Å; P12-L72 HydrophobicContact CG-CD1 3.67Å; P12-L72 HydrophobicContact CG-CG 4.35Å; P12-F109 VanDerWaalsContact CD-CE2 3.46Å; P12-F109 HydrophobicContact CG-CD2 4.03Å; P12-F109 HydrophobicContact CG-CE2 3.85Å; P12-F109 HydrophobicContact CG-CZ 4.41Å; P12-F142 HydrophobicContact CB-CB 3.84Å; P12-F142 HydrophobicContact CB-CD1 4.09Å; P12-F142 HydrophobicContact CB-CG 4.37Å; P12-F142 HydrophobicContact CG-CB 4.2Å; P12-F142 HydrophobicContact CG-CD1 3.84Å; P12-F142 HydrophobicContact CG-CG 4.26Å; P12-M143 CarbonylContact C-O 3.54Å; P12-M143 VanDerWaalsContact CA-O 3.22Å; P12-M143 WeakPolarHBondContact CA-O 3.08Å; P12-M143 VanDerWaalsContact CB-O 3.26Å; P12-M143 WeakPolarHBondContact CB-O 3.4Å
13T84.6Confident77.1Confident34 Ų3462.3 Ų62.321%0.20932%0.319CS..SBendtrans-113.2-15.4171.256.70000111.8L68 M143 R144 N145T13-L68 PolarHBondContact O-N 3.48Å; T13-M143 PolarHBondContact N-O 2.88Å; T13-R144 HydrophobicContact CG2-CG 4.33Å; T13-N145 WeakPolarHBondContact CB-OD1 3.32Å; T13-N145 PolarHBondContact OG1-N 2.87Å; T13-N145 VanDerWaalsContact OG1-N 3.15Å; T13-N145 PolarHBondContact OG1-OD1 3.47Å
14H89.2Confident79.2Confident42 Ų4257.6 Ų57.619%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-137.9153.6-178.4-70.267.3000110.4F66 M143 N145H14-F66 CarbonylContact C-O 3.31Å; H14-F66 VanDerWaalsContact CA-O 3.25Å; H14-F66 WeakPolarHBondContact CA-O 3.42Å; H14-M143 HydrophobicContact CB-CB 4.19Å; H14-M143 HydrophobicContact CB-CE 4.12Å; H14-M143 PolarHBondContact N-O 3.05Å; H14-M143 PolarHBondContact O-N 2.91Å; H14-N145 PolarHBondContact CE1-ND2 3.45Å
15V92.4Very high81.7Confident0 Ų054.3 Ų54.30%028%0.279CS..EExtended strand (participates in β ladder)trans-124.6126.4168.4640000110.1V17 L42 S65 F66 L68 L105 I140 F142V15-V17 HydrophobicContact CG2-CG2 4.09Å; V15-L42 HydrophobicContact CG1-CD2 3.69Å; V15-S65 WeakPolarHBondContact O-CA 3.39Å; V15-F66 HydrophobicContact CG1-CB 4.04Å; V15-F66 HydrophobicContact CG1-CD2 4.36Å; V15-F66 PolarHBondContact N-O 3.23Å; V15-F66 PolarHBondContact O-N 3Å; V15-L68 HydrophobicContact CB-CD2 4.2Å; V15-L68 HydrophobicContact CG1-CD2 3.84Å; V15-L105 HydrophobicContact CB-CD1 4.47Å; V15-L105 HydrophobicContact CG1-CD1 3.91Å; V15-L105 HydrophobicContact CG2-CD1 4.38Å; V15-L105 HydrophobicContact CG2-CD2 4.29Å; V15-I140 HydrophobicContact CG2-CG2 3.72Å; V15-F142 HydrophobicContact CB-CD1 4.25Å; V15-F142 HydrophobicContact CB-CE1 4.27Å; V15-F142 HydrophobicContact CG2-CD1 4.14Å; V15-F142 HydrophobicContact CG2-CE1 3.99Å
16Q94.9Very high84Confident36 Ų3654.5 Ų54.517%0.16828%0.278CS..EExtended strand (participates in β ladder)trans-95.7125.1175.9-172.4-178.86.100107.8E63 Q141 M143Q16-E63 VanDerWaalsContact CG-CD 3.41Å; Q16-E63 HydrophobicContact CG-CG 3.99Å; Q16-E63 WeakPolarHBondContact CG-OE1 3.41Å; Q16-E63 PolarHBondContact NE2-OE1 3.26Å; Q16-E63 PolarHBondContact NE2-OE2 3.17Å; Q16-Q141 HydrophobicContact CB-CB 4.26Å; Q16-Q141 WeakPolarHBondContact CB-O 3.25Å; Q16-Q141 PolarHBondContact N-O 2.81Å; Q16-Q141 PolarHBondContact O-N 2.82Å; Q16-Q141 VanDerWaalsContact OE1-NE2 3.07Å; Q16-M143 HydrophobicContact CB-CE 4Å; Q16-M143 HydrophobicContact CB-CG 4.48Å; Q16-M143 HydrophobicContact CB-SD 4.27Å; Q16-M143 PolarHBondContact OE1-SD 2.97Å
17V97.1Very high86.2Confident0 Ų051.7 Ų51.70%027%0.27CS..EExtended strand (participates in β ladder)trans-126.7105.1-175.4-176.90000109.2V15 I40 E63 A64 F66 L82 L84 V138 N139V15-V17 HydrophobicContact CG2-CG2 4.09Å; V17-I40 HydrophobicContact CB-CG2 4.32Å; V17-I40 HydrophobicContact CG1-CG2 3.92Å; V17-E63 WeakPolarHBondContact O-CA 3.04Å; V17-A64 PolarHBondContact N-O 2.68Å; V17-A64 PolarHBondContact O-N 3.49Å; V17-F66 HydrophobicContact CB-CE2 4.32Å; V17-F66 HydrophobicContact CG2-CD2 4.21Å; V17-F66 HydrophobicContact CG2-CE2 4.16Å; V17-L82 HydrophobicContact CG1-CD2 3.94Å; V17-L82 HydrophobicContact CG2-CD1 4.16Å; V17-L82 HydrophobicContact CG2-CD2 3.86Å; V17-L84 HydrophobicContact CG1-CD2 4.46Å; V17-V138 HydrophobicContact CG1-CG1 3.69Å; V17-N139 WeakPolarHBondContact CA-O 3.1Å
18T97.9Very high88.4Confident22 Ų2251.7 Ų51.714%0.13525%0.253CS..EExtended strand (participates in β ladder)trans-99.2108.7178-33.20000110L20 E62 E63 V138 N139T18-L20 HydrophobicContact CG2-CD2 3.94Å; T18-L20 PolarHBondContact O-N 2.69Å; T18-E62 CarbonylContact C-O 3.56Å; T18-E62 WeakPolarHBondContact CA-O 3.4Å; T18-E63 HydrophobicContact CG2-CB 4.23Å; T18-E63 PolarHBondContact OG1-OE2 3.37Å; T18-V138 CarbonylContact O-C 3.49Å; T18-V138 WeakPolarHBondContact O-CA 3.31Å; T18-N139 PolarHBondContact N-O 2.85Å; T18-N139 PolarHBondContact O-N 3Å
19V98.2Very high90.5Very high0 Ų043.9 Ų43.90%022%0.221CC..EExtended strand (participates in β ladder)trans-82.9105.6173.7171.20000108.8T38 I40 T49 W60 K61 E62 L84 I136 V138V19-T38 HydrophobicContact CG1-CG2 4.34Å; V19-T38 HydrophobicContact CG2-CG2 4.32Å; V19-I40 HydrophobicContact CB-CD1 4.26Å; V19-I40 HydrophobicContact CG2-CD1 3.51Å; V19-I40 HydrophobicContact CG2-CG1 3.81Å; V19-T49 HydrophobicContact CB-CG2 4.37Å; V19-T49 HydrophobicContact CG1-CG2 4.36Å; V19-W60 HydrophobicContact CG1-CD2 4.33Å; V19-W60 HydrophobicContact CG1-CE3 3.56Å; V19-W60 HydrophobicContact CG1-CZ3 3.95Å; V19-K61 WeakPolarHBondContact O-CA 3.42Å; V19-K61 PolarHBondContact O-N 3.37Å; V19-E62 PolarHBondContact N-O 3.06Å; V19-E62 PolarHBondContact O-N 2.91Å; V19-E62 VanDerWaalsContact O-N 3.13Å; V19-L84 HydrophobicContact CG2-CD2 3.73Å; V19-I136 HydrophobicContact CG1-CD1 3.92Å; V19-I136 HydrophobicContact CG1-CG1 4.39Å; V19-V138 HydrophobicContact CG2-CG1 4.48Å; V19-V138 HydrophobicContact CG2-CG2 4.14Å
20L98.2Very high91.7Very high41 Ų4148.2 Ų48.222%0.21524%0.24CC..EExtended strand (participates in β ladder)trans-81.2-56.4-173.1-62.5175.3000111.6T18 W60 K61 T117 K137T18-L20 HydrophobicContact CG2-CD2 3.94Å; T18-L20 PolarHBondContact O-N 2.69Å; L20-W60 PolarHBondContact O-N 3.18Å; L20-K61 HydrophobicContact CD2-CG 4.45Å; L20-K61 PolarHBondContact O-N 3.46Å; L20-T117 HydrophobicContact CD1-CG2 3.42Å; L20-T117 VanDerWaalsContact CD1-CG2 3.42Å; L20-K137 HydrophobicContact CB-CB 4.46Å; L20-K137 WeakPolarHBondContact CB-O 3.35Å; L20-K137 HydrophobicContact CD1-CD 4.16Å; L20-K137 HydrophobicContact CD1-CG 4.24Å; L20-K137 PolarHBondContact N-O 2.91Å
21Q98.3Very high92.3Very high59 Ų5946.3 Ų46.328%0.27625%0.245SC..EExtended strand (participates in β ladder)trans-165.7165.6-173.259.8-174.836.300111P58 V59 W119 K137Q21-P58 CarbonylContact C-O 3.57Å; Q21-P58 WeakPolarHBondContact CA-O 3.46Å; Q21-P58 VanDerWaalsContact CB-O 3.25Å; Q21-P58 WeakPolarHBondContact CB-O 3.39Å; Q21-V59 HydrophobicContact CB-CB 4.33Å; Q21-V59 HydrophobicContact CB-CG1 4.43Å; Q21-V59 HydrophobicContact CB-CG2 3.96Å; Q21-W119 HydrophobicContact CG-CH2 3.88Å; Q21-W119 HydrophobicContact CG-CZ3 4.44Å; Q21-W119 VanDerWaalsContact NE2-CH2 3.26Å; Q21-W119 VanDerWaalsContact NE2-CZ2 3.25Å; Q21-K137 HydrophobicContact CG-CB 3.82Å; Q21-K137 HydrophobicContact CG-CD 4.3Å; Q21-K137 PolarHBondContact O-N 3Å
22A98.2Very high93Very high2 Ų246.7 Ų46.72%0.01726%0.259CS..EExtended strand (participates in β ladder)trans-124.3163.5161.600000110.5L25 D57 P58 W60 E135 I136A22-L25 HydrophobicContact CB-CD1 4.03Å; A22-L25 HydrophobicContact CB-CD2 3.98Å; A22-L25 HydrophobicContact CB-CG 4.1Å; A22-D57 CarbonylContact O-C 3.47Å; A22-D57 VanDerWaalsContact O-C 3.31Å; A22-D57 VanDerWaalsContact O-CA 3.24Å; A22-D57 WeakPolarHBondContact O-CA 3.27Å; A22-P58 HydrophobicContact CB-CG 3.99Å; A22-P58 PolarHBondContact N-O 2.93Å; A22-W60 HydrophobicContact CB-CH2 4.05Å; A22-W60 HydrophobicContact CB-CZ3 3.87Å; A22-E135 CarbonylContact C-O 3.54Å; A22-E135 WeakPolarHBondContact CA-O 3.42Å; A22-E135 VanDerWaalsContact CB-O 3.28Å; A22-E135 WeakPolarHBondContact CB-O 3.4Å; A22-I136 HydrophobicContact CB-CB 4.34Å; A22-I136 HydrophobicContact CB-CG1 4.3Å
23K96.9Very high93.5Very high77 Ų7748.3 Ų48.334%0.33527%0.269SS..EExtended strand (participates in β ladder)trans-140.7153.1175.470.5-176.7167750112.7L25 D57 W119 G134 E135K23-L25 VanDerWaalsContact C-N 3.29Å; K23-L25 PolarHBondContact O-N 3.02Å; K23-D57 WeakPolarHBondContact CA-OD1 3.38Å; K23-D57 VanDerWaalsContact CB-OD1 3.29Å; K23-D57 WeakPolarHBondContact CB-OD1 3.5Å; K23-W119 HydrophobicContact CB-CH2 4Å; K23-W119 HydrophobicContact CB-CZ3 4.19Å; K23-W119 HydrophobicContact CD-CE3 4.46Å; K23-W119 HydrophobicContact CD-CH2 3.4Å; K23-W119 HydrophobicContact CD-CZ2 3.71Å; K23-W119 HydrophobicContact CD-CZ3 3.83Å; K23-W119 VanDerWaalsContact CE-CZ2 3.49Å; K23-W119 HydrophobicContact CG-CE3 4.36Å; K23-W119 HydrophobicContact CG-CH2 3.59Å; K23-W119 HydrophobicContact CG-CZ2 4.39Å; K23-W119 HydrophobicContact CG-CZ3 3.58Å; K23-G134 CarbonylContact O-C 3.6Å; K23-G134 WeakPolarHBondContact O-CA 3.46Å; K23-E135 WeakPolarHBondContact CE-OE2 3.46Å; K23-E135 HydrophobicContact CG-CB 4.49Å; K23-E135 PolarHBondContact N-O 3.35Å; K23-E135 IonicContact NZ-OE2 3.4Å; K23-E135 PolarHBondContact NZ-OE2 2.93Å; K23-E135 PolarHBondContact O-N 2.89Å
24G95.3Very high94Very high48 Ų4846.7 Ų46.750%0.49526%0.259SS..SBendtrans67.124.3177.100000114.4K26 D57 G134G24-K26 PolarHBondContact O-N 3.28Å; G24-D57 PolarHBondContact N-OD1 2.95Å; G24-G134 WeakPolarHBondContact O-CA 3.42Å; G24-G134 PolarHBondContact O-N 3.2Å
25L96.2Very high94.4Very high2 Ų246 Ų461%0.0126%0.256CS..PPolyproline II helixtrans-64.1131.9-176.9-62-178.1000110.9A22 K23 A36 L56 P58 V86 L98 L122 R133A22-L25 HydrophobicContact CB-CD1 4.03Å; A22-L25 HydrophobicContact CB-CD2 3.98Å; A22-L25 HydrophobicContact CB-CG 4.1Å; K23-L25 VanDerWaalsContact C-N 3.29Å; K23-L25 PolarHBondContact O-N 3.02Å; L25-A36 HydrophobicContact CD1-CB 4.29Å; L25-L56 VanDerWaalsContact CB-O 3.26Å; L25-L56 WeakPolarHBondContact CB-O 3.35Å; L25-L56 WeakPolarHBondContact CG-O 3.4Å; L25-L56 PolarHBondContact N-O 3.23Å; L25-P58 HydrophobicContact CD1-CG 3.55Å; L25-V86 HydrophobicContact CD1-CG1 3.92Å; L25-V86 HydrophobicContact CD2-CG1 4.33Å; L25-L98 HydrophobicContact CD1-CD1 4.12Å; L25-L122 HydrophobicContact CD2-CD1 3.44Å; L25-L122 VanDerWaalsContact CD2-CD1 3.44Å; L25-R133 WeakPolarHBondContact CD2-O 3.29Å
26K93.4Very high94.7Very high120 Ų12046 Ų4652%0.52226%0.256SS..PPolyproline II helixtrans-64.4131.3-179.1-164.2173.5-165.5700111G24 N34 L98G24-K26 PolarHBondContact O-N 3.28Å; K26-N34 PolarHBondContact O-ND2 2.96Å; K26-L98 VanDerWaalsContact O-CD2 3.29Å; K26-L98 WeakPolarHBondContact O-CD2 3.48Å
27P94.3Very high94.8Very high63 Ų6345 Ų4541%0.40925%0.251SS..PPolyproline II helixtrans-63.6138.6-178.423.9-35.4000113.6G32 L56P27-G32 WeakPolarHBondContact CB-O 3.41Å; P27-L56 HydrophobicContact CB-CD2 4.03Å
28K93Very high94.9Very high88 Ų8845 Ų4538%0.38325%0.251SS..  trans-143.2-13.3-179.5-69.9-60.6177.8-170.40114.9N34 H88 K96 L98K28-N34 WeakPolarHBondContact CA-OD1 3.37Å; K28-N34 WeakPolarHBondContact CB-OD1 3.44Å; K28-N34 PolarHBondContact N-OD1 3.03Å; K28-H88 HydrophobicContact CB-CB 4.32Å; K28-K96 HydrophobicContact CB-CB 4.32Å; K28-K96 HydrophobicContact CB-CD 4.28Å; K28-K96 PolarHBondContact O-NZ 2.94Å; K28-L98 HydrophobicContact CB-CD2 3.92Å; K28-L98 HydrophobicContact CG-CD2 3.54Å
29G88.7Confident94.9Very high15 Ų1545.8 Ų45.816%0.15525%0.254CS..SBendtrans-72.6168.1169.600000113.1S31 T33 N34 H88G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S31 PolarHBondContact O-N 3.46Å; G29-T33 WeakPolarHBondContact CA-O 3.46Å; G29-T33 PolarHBondContact N-O 3.03Å; G29-N34 PolarHBondContact N-OD1 2.95Å; G29-H88 VanDerWaalsContact CA-NE2 3.27Å; G29-H88 WeakPolarHBondContact CA-NE2 3.31Å; G29-H88 PolarHBondContact N-NE2 2.87Å
30K85.6Confident94.9Very high205 Ų20545.8 Ų45.889%0.89125%0.254SS*.THydrogen-bonded Turntrans-68.5-29.4179.8-65.8-177.1179.1-179.20112.5G32K30-G32 VanDerWaalsContact C-N 3.33Å
31S85.1Confident94.8Very high82 Ų8246 Ų4657%0.57325%0.254SS*.THydrogen-bonded Turntrans-84.75.6-177.442.90000114.6G29 T33G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S31 PolarHBondContact O-N 3.46Å; S31-T33 PolarHBondContact O-N 3.09Å; S31-T33 PolarHBondContact OG-OG1 3.03Å
32G91Very high94.5Very high43 Ų4343.6 Ų43.644%0.44324%0.243SC..SBendtrans726.2-169.800000114.3P27 K30P27-G32 WeakPolarHBondContact CB-O 3.41Å; K30-G32 VanDerWaalsContact C-N 3.33Å
33T94.2Very high94.1Very high36 Ų3645.3 Ų45.322%0.22126%0.261CS..SBendtrans-113.1-179.9173.755.70000110.8G29 S31 K54G29-T33 WeakPolarHBondContact CA-O 3.46Å; G29-T33 PolarHBondContact N-O 3.03Å; S31-T33 PolarHBondContact O-N 3.09Å; S31-T33 PolarHBondContact OG-OG1 3.03Å; T33-K54 VanDerWaalsContact CB-C 3.47Å; T33-K54 WeakPolarHBondContact CB-O 3.33Å; T33-K54 WeakPolarHBondContact CG2-O 3.35Å
34N96.6Very high93.6Very high0 Ų051.4 Ų51.40%029%0.288CS..EExtended strand (participates in β ladder)trans-125.6138.7172.8-65-46.1000111.3K26 K28 G29 A36 K54 T55 L56 L98K26-N34 PolarHBondContact O-ND2 2.96Å; K28-N34 WeakPolarHBondContact CA-OD1 3.37Å; K28-N34 WeakPolarHBondContact CB-OD1 3.44Å; K28-N34 PolarHBondContact N-OD1 3.03Å; G29-N34 PolarHBondContact N-OD1 2.95Å; N34-A36 HydrophobicContact CB-CB 4.27Å; N34-K54 PolarHBondContact O-N 2.92Å; N34-K54 VanDerWaalsContact O-N 3.12Å; N34-T55 CarbonylContact C-O 3.59Å; N34-T55 WeakPolarHBondContact CA-O 3.31Å; N34-T55 WeakPolarHBondContact CB-O 3.35Å; N34-T55 PolarHBondContact N-O 3.22Å; N34-T55 PolarHBondContact O-N 3.42Å; N34-L56 WeakPolarHBondContact ND2-CD2 3.45Å; N34-L98 HydrophobicContact CB-CD1 4.13Å
35D97.2Very high93.5Very high26 Ų2653.8 Ų53.814%0.13929%0.286CS..EExtended strand (participates in β ladder)trans-90.499.1160.1-47-59.8000106.7V51 A52 E53 K54 H88 R89D35-V51 HydrophobicContact CB-CG1 3.88Å; D35-A52 CarbonylContact C-O 3.52Å; D35-A52 WeakPolarHBondContact CA-O 3.33Å; D35-E53 WeakPolarHBondContact OD1-CA 3.41Å; D35-K54 PolarHBondContact OD1-N 2.93Å; D35-H88 PolarHBondContact N-ND1 2.6Å; D35-H88 VanDerWaalsContact N-ND1 3.15Å; D35-H88 CarbonylContact O-C 3.04Å; D35-H88 VanDerWaalsContact O-CA 3.24Å; D35-H88 WeakPolarHBondContact O-CA 3.46Å; D35-H88 PolarHBondContact O-ND1 3.01Å; D35-H88 IonicContact OD2-CE1 3.77Å; D35-H88 PolarHBondContact OD2-CE1 3.29Å; D35-R89 HydrophobicContact CB-CB 4.39Å; D35-R89 PolarHBondContact O-N 2.92Å
36A97.6Very high93.5Very high0 Ų060 Ų600%031%0.313CS..EExtended strand (participates in β ladder)trans-112.6136.9-16000000113.7L25 N34 V51 A52 P58 W60 M87 L98L25-A36 HydrophobicContact CD1-CB 4.29Å; N34-A36 HydrophobicContact CB-CB 4.27Å; A36-V51 WeakPolarHBondContact O-CA 3.32Å; A36-A52 PolarHBondContact N-O 2.85Å; A36-A52 PolarHBondContact O-N 3.46Å; A36-P58 HydrophobicContact CB-CB 4.2Å; A36-P58 HydrophobicContact CB-CG 4.04Å; A36-W60 HydrophobicContact CB-CZ2 4.19Å; A36-W60 PolarHBondContact O-NE1 3.11Å; A36-M87 WeakPolarHBondContact CA-O 3.36Å; A36-L98 HydrophobicContact CB-CD1 4.08Å
37Y98.4Very high93.7Very high16 Ų1658.6 Ų58.66%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-137.9156.8171.173.5-79.2000110.8I39 S50 V51 M87 R89 D95Y37-I39 HydrophobicContact CD2-CG1 4.27Å; Y37-I39 HydrophobicContact CE2-CD1 4.13Å; Y37-I39 HydrophobicContact CE2-CG1 3.67Å; Y37-S50 WeakPolarHBondContact CB-O 3.4Å; Y37-V51 HydrophobicContact CD1-CG2 4.37Å; Y37-V51 HydrophobicContact CG-CG2 4.48Å; Y37-M87 HydrophobicContact CD1-CB 4.02Å; Y37-M87 WeakPolarHBondContact CD1-O 3.21Å; Y37-M87 HydrophobicContact CE1-CB 3.46Å; Y37-M87 VanDerWaalsContact CE1-CB 3.46Å; Y37-M87 HydrophobicContact CE1-CG 4.49Å; Y37-M87 HydrophobicContact CE2-CB 4.17Å; Y37-M87 PolarHBondContact N-O 2.87Å; Y37-M87 PolarHBondContact O-N 3.09Å; Y37-R89 HydrophobicContact CD1-CB 4.34Å; Y37-R89 HydrophobicContact CE1-CB 4.4Å; Y37-D95 PolarHBondContact OH-OD2 3.34Å
38T98.4Very high93.9Very high0 Ų058.4 Ų58.40%031%0.305CS..EExtended strand (participates in β ladder)trans-112.8129.6178-60.80000110.3V19 I40 S48 T49 W60 L84 V86 I136V19-T38 HydrophobicContact CG1-CG2 4.34Å; V19-T38 HydrophobicContact CG2-CG2 4.32Å; T38-I40 HydrophobicContact CG2-CG1 4.41Å; T38-S48 WeakPolarHBondContact O-CA 3.35Å; T38-T49 PolarHBondContact N-OG1 3.15Å; T38-T49 PolarHBondContact O-N 3.12Å; T38-W60 WeakPolarHBondContact OG1-CH2 3.43Å; T38-W60 WeakPolarHBondContact OG1-CZ3 3.24Å; T38-L84 HydrophobicContact CG2-CD2 4.29Å; T38-V86 HydrophobicContact CG2-CG2 4.49Å; T38-I136 HydrophobicContact CG2-CD1 3.82Å
39I98.3Very high94.1Very high38 Ų3854.7 Ų54.720%0.19529%0.29CS..EExtended strand (participates in β ladder)trans-88.7124.6166.4-53.1174.2000107.3Y37 Y47 V85 M87Y37-I39 HydrophobicContact CD2-CG1 4.27Å; Y37-I39 HydrophobicContact CE2-CD1 4.13Å; Y37-I39 HydrophobicContact CE2-CG1 3.67Å; I39-Y47 WeakPolarHBondContact CA-O 3.29Å; I39-Y47 WeakPolarHBondContact CG2-O 3.46Å; I39-V85 HydrophobicContact CB-CB 4.3Å; I39-V85 PolarHBondContact N-O 3.18Å; I39-V85 PolarHBondContact O-N 3.34Å; I39-M87 HydrophobicContact CD1-CG 4.17Å
40I97.8Very high94.6Very high0 Ų057 Ų570%030%0.304CS..EExtended strand (participates in β ladder)trans-104.9117.5174.1-44.9175.1000106.5V17 V19 T38 K46 Y47 A64 F66 L82 L84V17-I40 HydrophobicContact CB-CG2 4.32Å; V17-I40 HydrophobicContact CG1-CG2 3.92Å; V19-I40 HydrophobicContact CB-CD1 4.26Å; V19-I40 HydrophobicContact CG2-CD1 3.51Å; V19-I40 HydrophobicContact CG2-CG1 3.81Å; T38-I40 HydrophobicContact CG2-CG1 4.41Å; I40-K46 CarbonylContact O-C 3.57Å; I40-K46 WeakPolarHBondContact O-CA 3.46Å; I40-Y47 HydrophobicContact CD1-CD1 3.93Å; I40-Y47 HydrophobicContact CG1-CD1 4.42Å; I40-Y47 PolarHBondContact N-O 3.45Å; I40-Y47 PolarHBondContact O-N 2.97Å; I40-A64 HydrophobicContact CD1-CB 4.06Å; I40-F66 HydrophobicContact CB-CE2 4.47Å; I40-F66 HydrophobicContact CB-CZ 4.03Å; I40-F66 HydrophobicContact CG2-CE2 3.61Å; I40-F66 HydrophobicContact CG2-CZ 3.57Å; I40-L82 HydrophobicContact CG2-CD1 3.75Å; I40-L84 HydrophobicContact CB-CD2 4.41Å; I40-L84 HydrophobicContact CG1-CD2 4.13Å; I40-L84 HydrophobicContact CG2-CD2 3.98Å
41Q95.9Very high95.1Very high45 Ų4549.9 Ų49.921%0.2128%0.277CS..EExtended strand (participates in β ladder)trans-127.3130.8-177.5167.1176.9-500111.2G43 E45 K46 Y83Q41-G43 PolarHBondContact NE2-O 3.02Å; Q41-E45 VanDerWaalsContact CA-O 3.3Å; Q41-E45 WeakPolarHBondContact CA-O 3.49Å; Q41-K46 HydrophobicContact CB-CD 4.37Å; Q41-K46 HydrophobicContact CB-CG 4.02Å; Q41-K46 VanDerWaalsContact CD-CE 3.41Å; Q41-K46 VanDerWaalsContact CD-NZ 3.31Å; Q41-K46 HydrophobicContact CG-CD 4.29Å; Q41-K46 HydrophobicContact CG-CG 3.96Å; Q41-K46 VanDerWaalsContact OE1-CE 3.25Å; Q41-Y83 PolarHBondContact N-O 2.92Å; Q41-Y83 PolarHBondContact O-N 3.26Å
42L93.1Very high95.7Very high9 Ų946.9 Ų46.95%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-125.8117.5166.3-173.461.3000109.2V15 K44 E45 F66 L68 L82 L105V15-L42 HydrophobicContact CG1-CD2 3.69Å; L42-K44 PolarHBondContact O-N 3.34Å; L42-E45 PolarHBondContact N-O 3.32Å; L42-E45 PolarHBondContact O-N 3.44Å; L42-F66 HydrophobicContact CB-CB 4.31Å; L42-F66 HydrophobicContact CB-CD1 3.9Å; L42-F66 HydrophobicContact CB-CD2 4.48Å; L42-F66 HydrophobicContact CB-CE1 4.33Å; L42-F66 HydrophobicContact CB-CG 3.98Å; L42-F66 HydrophobicContact CD2-CB 3.75Å; L42-F66 HydrophobicContact CD2-CG 4.23Å; L42-L68 HydrophobicContact CD2-CD2 4.03Å; L42-L82 HydrophobicContact CD1-CB 4.42Å; L42-L105 HydrophobicContact CD1-CD1 3.71Å; L42-L105 HydrophobicContact CD2-CD1 3.87Å; L42-L105 HydrophobicContact CG-CD1 4.48Å
43G88.9Confident96Very high38 Ų3850.7 Ų50.739%0.39226%0.264SS..THydrogen-bonded Turntrans53.8-110-174.400000112.7Q41Q41-G43 PolarHBondContact NE2-O 3.02Å
44K87.6Confident96Very high206 Ų20655.2 Ų55.290%0.89628%0.28SS*.THydrogen-bonded Turntrans-89.2-25.4178.8-64.7179.3-178.5175.50113.6L42L42-K44 PolarHBondContact O-N 3.34Å
45E92.3Very high96Very high97 Ų9757.1 Ų57.145%0.45329%0.292SS..EExtended strand (participates in β ladder)trans-81.8141-173-63.9-173.9164.700110.9Q41 L42 F66Q41-E45 VanDerWaalsContact CA-O 3.3Å; Q41-E45 WeakPolarHBondContact CA-O 3.49Å; L42-E45 PolarHBondContact N-O 3.32Å; L42-E45 PolarHBondContact O-N 3.44Å; E45-F66 HydrophobicContact CB-CD1 3.76Å; E45-F66 HydrophobicContact CB-CE1 4.05Å
46K95.9Very high96Very high134 Ų13458.3 Ų58.358%0.58330%0.298SS*.EExtended strand (participates in β ladder)trans-141.9126.4-178.9-48.9-165.1-169.5-150.30111.2I40 Q41I40-K46 CarbonylContact O-C 3.57Å; I40-K46 WeakPolarHBondContact O-CA 3.46Å; Q41-K46 HydrophobicContact CB-CD 4.37Å; Q41-K46 HydrophobicContact CB-CG 4.02Å; Q41-K46 VanDerWaalsContact CD-CE 3.41Å; Q41-K46 VanDerWaalsContact CD-NZ 3.31Å; Q41-K46 HydrophobicContact CG-CD 4.29Å; Q41-K46 HydrophobicContact CG-CG 3.96Å; Q41-K46 VanDerWaalsContact OE1-CE 3.25Å
47Y97.7Very high96Very high89 Ų8962.4 Ų62.435%0.34932%0.32SS..EExtended strand (participates in β ladder)trans-103.8162.6164.7-173.8-96.5000109.7I39 I40 A64I39-Y47 WeakPolarHBondContact CA-O 3.29Å; I39-Y47 WeakPolarHBondContact CG2-O 3.46Å; I40-Y47 HydrophobicContact CD1-CD1 3.93Å; I40-Y47 HydrophobicContact CG1-CD1 4.42Å; I40-Y47 PolarHBondContact N-O 3.45Å; I40-Y47 PolarHBondContact O-N 2.97Å; Y47-A64 HydrophobicContact CD1-CB 4.01Å; Y47-A64 HydrophobicContact CD2-CB 4.18Å; Y47-A64 HydrophobicContact CG-CB 3.69Å
48S97.9Very high95.9Very high60 Ų6061.7 Ų61.742%0.4232%0.317SS..EExtended strand (participates in β ladder)trans-143.1129.8170.9-67.30000109.3T38T38-S48 WeakPolarHBondContact O-CA 3.35Å
49T98.3Very high95.9Very high9 Ų965.3 Ų65.36%0.05534%0.339CS..  trans-67168.1177.8680000111.6V19 T38 W60 E62V19-T49 HydrophobicContact CB-CG2 4.37Å; V19-T49 HydrophobicContact CG1-CG2 4.36Å; T38-T49 PolarHBondContact N-OG1 3.15Å; T38-T49 PolarHBondContact O-N 3.12Å; T49-W60 HydrophobicContact CG2-CB 4.39Å; T49-W60 HydrophobicContact CG2-CG 4.28Å; T49-W60 PolarHBondContact OG1-NE1 3.26Å; T49-E62 WeakPolarHBondContact CA-OE2 3.14Å; T49-E62 HydrophobicContact CG2-CB 4.11Å
50S97.9Very high95.9Very high64 Ų6464.5 Ų64.545%0.44833%0.334SS..  trans-56.3163.5161.574.50000112.2Y37 W60 E62Y37-S50 WeakPolarHBondContact CB-O 3.4Å; S50-W60 VanDerWaalsContact O-CD1 3.24Å; S50-W60 PolarHBondContact O-NE1 3.1Å; S50-E62 WeakPolarHBondContact CB-OE1 3.47Å; S50-E62 VanDerWaalsContact N-CD 3.29Å; S50-E62 PolarHBondContact N-OE1 3Å; S50-E62 PolarHBondContact N-OE2 3.04Å; S50-E62 PolarHBondContact OG-OE1 2.96Å
51V98Very high95.9Very high55 Ų5571.7 Ų71.733%0.33337%0.365SS..  trans-92114.3175.9-1750000108.8D35 A36 Y37 E53 R89D35-V51 HydrophobicContact CB-CG1 3.88Å; A36-V51 WeakPolarHBondContact O-CA 3.32Å; Y37-V51 HydrophobicContact CD1-CG2 4.37Å; Y37-V51 HydrophobicContact CG-CG2 4.48Å; V51-E53 PolarHBondContact O-N 3.27Å; V51-R89 HydrophobicContact CG1-CB 4.14Å; V51-R89 HydrophobicContact CG2-CB 4.41Å
52A97.7Very high96Very high19 Ų1971.2 Ų71.216%0.15736%0.363CS..EExtended strand (participates in β ladder)trans-82.3105.4168.700000108.7D35 A36 T55 P58D35-A52 CarbonylContact C-O 3.52Å; D35-A52 WeakPolarHBondContact CA-O 3.33Å; A36-A52 PolarHBondContact N-O 2.85Å; A36-A52 PolarHBondContact O-N 3.46Å; A52-T55 HydrophobicContact CB-CG2 4.16Å; A52-P58 HydrophobicContact CB-CB 3.49Å; A52-P58 VanDerWaalsContact CB-CB 3.49Å
53E96.3Very high96.1Very high123 Ų12374.6 Ų74.658%0.57538%0.378SS*.EExtended strand (participates in β ladder)trans-71.2151.1-175-68.9-166.3-170.900114.1D35 V51 T55D35-E53 WeakPolarHBondContact OD1-CA 3.41Å; V51-E53 PolarHBondContact O-N 3.27Å; E53-T55 VanDerWaalsContact C-N 3.25Å; E53-T55 PolarHBondContact O-N 3.23Å
54K95.2Very high96.4Very high132 Ų13273.1 Ų73.157%0.57436%0.363SS*.EExtended strand (participates in β ladder)trans51.231.2162.4-58.6172.4-171.4101.40116.1T33 N34 D35T33-K54 VanDerWaalsContact CB-C 3.47Å; T33-K54 WeakPolarHBondContact CB-O 3.33Å; T33-K54 WeakPolarHBondContact CG2-O 3.35Å; N34-K54 PolarHBondContact O-N 2.92Å; N34-K54 VanDerWaalsContact O-N 3.12Å; D35-K54 PolarHBondContact OD1-N 2.93Å
55T96.3Very high96.7Very high39 Ų3966.3 Ų66.324%0.23934%0.341CS..EExtended strand (participates in β ladder)trans-126.5162.1-177.5-177.20000112.7N34 A52 E53 D57 P58N34-T55 CarbonylContact C-O 3.59Å; N34-T55 WeakPolarHBondContact CA-O 3.31Å; N34-T55 WeakPolarHBondContact CB-O 3.35Å; N34-T55 PolarHBondContact N-O 3.22Å; N34-T55 PolarHBondContact O-N 3.42Å; A52-T55 HydrophobicContact CB-CG2 4.16Å; E53-T55 VanDerWaalsContact C-N 3.25Å; E53-T55 PolarHBondContact O-N 3.23Å; T55-D57 PolarHBondContact OG1-N 3.38Å; T55-D57 PolarHBondContact OG1-O 3.24Å; T55-P58 HydrophobicContact CG2-CB 3.74Å
56L96Very high96.7Very high51 Ų5162 Ų6227%0.26732%0.32SS..SBendtrans-107.8-10.6166.1-57.8-176.2000112.2L25 P27 N34 P58L25-L56 VanDerWaalsContact CB-O 3.26Å; L25-L56 WeakPolarHBondContact CB-O 3.35Å; L25-L56 WeakPolarHBondContact CG-O 3.4Å; L25-L56 PolarHBondContact N-O 3.23Å; P27-L56 HydrophobicContact CB-CD2 4.03Å; N34-L56 WeakPolarHBondContact ND2-CD2 3.45Å; L56-P58 VanDerWaalsContact C-CD 3.47Å; L56-P58 WeakPolarHBondContact O-CD 3.48Å
57D97.2Very high96.4Very high87 Ų8761.2 Ų61.247%0.46532%0.319SS..SBendtrans-127.769-177.7-52.5-75.9000108.7A22 K23 G24 T55A22-D57 CarbonylContact O-C 3.47Å; A22-D57 VanDerWaalsContact O-C 3.31Å; A22-D57 VanDerWaalsContact O-CA 3.24Å; A22-D57 WeakPolarHBondContact O-CA 3.27Å; K23-D57 WeakPolarHBondContact CA-OD1 3.38Å; K23-D57 VanDerWaalsContact CB-OD1 3.29Å; K23-D57 WeakPolarHBondContact CB-OD1 3.5Å; G24-D57 PolarHBondContact N-OD1 2.95Å; T55-D57 PolarHBondContact OG1-N 3.38Å; T55-D57 PolarHBondContact OG1-O 3.24Å
58P97.7Very high95.8Very high1 Ų157.3 Ų57.31%0.00630%0.304CS..  trans-71.8144.1-174.230.2-37000112.3Q21 A22 L25 A36 A52 T55 L56 W60Q21-P58 CarbonylContact C-O 3.57Å; Q21-P58 WeakPolarHBondContact CA-O 3.46Å; Q21-P58 VanDerWaalsContact CB-O 3.25Å; Q21-P58 WeakPolarHBondContact CB-O 3.39Å; A22-P58 HydrophobicContact CB-CG 3.99Å; A22-P58 PolarHBondContact N-O 2.93Å; L25-P58 HydrophobicContact CD1-CG 3.55Å; A36-P58 HydrophobicContact CB-CB 4.2Å; A36-P58 HydrophobicContact CB-CG 4.04Å; A52-P58 HydrophobicContact CB-CB 3.49Å; A52-P58 VanDerWaalsContact CB-CB 3.49Å; T55-P58 HydrophobicContact CG2-CB 3.74Å; L56-P58 VanDerWaalsContact C-CD 3.47Å; L56-P58 WeakPolarHBondContact O-CD 3.48Å; P58-W60 HydrophobicContact CB-CD2 4.45Å; P58-W60 HydrophobicContact CB-CH2 3.92Å; P58-W60 HydrophobicContact CB-CZ2 3.67Å; P58-W60 HydrophobicContact CB-CZ3 4.38Å; P58-W60 HydrophobicContact CG-CH2 3.34Å; P58-W60 HydrophobicContact CG-CZ2 3.55Å; P58-W60 HydrophobicContact CG-CZ3 3.9Å
59V98.3Very high94.3Very high76 Ų7658 Ų5846%0.46131%0.307SS..EExtended strand (participates in β ladder)trans-122.4124.6176.3-177.80000108Q21 K61Q21-V59 HydrophobicContact CB-CB 4.33Å; Q21-V59 HydrophobicContact CB-CG1 4.43Å; Q21-V59 HydrophobicContact CB-CG2 3.96Å; V59-K61 HydrophobicContact CG1-CD 4.28Å; V59-K61 HydrophobicContact CG1-CG 4Å
60W98Very high92.5Very high20 Ų2059.8 Ų59.88%0.07633%0.327CS..EExtended strand (participates in β ladder)trans-115-53.1-178.1-59.8-78000111.1V19 L20 A22 A36 T38 T49 S50 P58 E62 V86V19-W60 HydrophobicContact CG1-CD2 4.33Å; V19-W60 HydrophobicContact CG1-CE3 3.56Å; V19-W60 HydrophobicContact CG1-CZ3 3.95Å; L20-W60 PolarHBondContact O-N 3.18Å; A22-W60 HydrophobicContact CB-CH2 4.05Å; A22-W60 HydrophobicContact CB-CZ3 3.87Å; A36-W60 HydrophobicContact CB-CZ2 4.19Å; A36-W60 PolarHBondContact O-NE1 3.11Å; T38-W60 WeakPolarHBondContact OG1-CH2 3.43Å; T38-W60 WeakPolarHBondContact OG1-CZ3 3.24Å; T49-W60 HydrophobicContact CG2-CB 4.39Å; T49-W60 HydrophobicContact CG2-CG 4.28Å; T49-W60 PolarHBondContact OG1-NE1 3.26Å; S50-W60 VanDerWaalsContact O-CD1 3.24Å; S50-W60 PolarHBondContact O-NE1 3.1Å; P58-W60 HydrophobicContact CB-CD2 4.45Å; P58-W60 HydrophobicContact CB-CH2 3.92Å; P58-W60 HydrophobicContact CB-CZ2 3.67Å; P58-W60 HydrophobicContact CB-CZ3 4.38Å; P58-W60 HydrophobicContact CG-CH2 3.34Å; P58-W60 HydrophobicContact CG-CZ2 3.55Å; P58-W60 HydrophobicContact CG-CZ3 3.9Å; W60-E62 HydrophobicContact CB-CB 4.34Å; W60-E62 HydrophobicContact CB-CG 4.24Å; W60-E62 PolarHBondContact O-N 3.13Å; W60-V86 HydrophobicContact CH2-CG1 4.2Å
61K97.1Very high90.7Very high151 Ų15161.6 Ų61.666%0.65733%0.331SS*.EExtended strand (participates in β ladder)trans55.936.9-171.9-53.2172.4-176.4172.30112.3V19 L20 V59V19-K61 WeakPolarHBondContact O-CA 3.42Å; V19-K61 PolarHBondContact O-N 3.37Å; L20-K61 HydrophobicContact CD2-CG 4.45Å; L20-K61 PolarHBondContact O-N 3.46Å; V59-K61 HydrophobicContact CG1-CD 4.28Å; V59-K61 HydrophobicContact CG1-CG 4Å
62E97.8Very high88.7Confident36 Ų3660 Ų6017%0.16832%0.321CS..EExtended strand (participates in β ladder)trans-102.2154.8-177.6-73.1173.2-11300111.1T18 V19 T49 S50 W60T18-E62 CarbonylContact C-O 3.56Å; T18-E62 WeakPolarHBondContact CA-O 3.4Å; V19-E62 PolarHBondContact N-O 3.06Å; V19-E62 PolarHBondContact O-N 2.91Å; V19-E62 VanDerWaalsContact O-N 3.13Å; T49-E62 WeakPolarHBondContact CA-OE2 3.14Å; T49-E62 HydrophobicContact CG2-CB 4.11Å; S50-E62 WeakPolarHBondContact CB-OE1 3.47Å; S50-E62 VanDerWaalsContact N-CD 3.29Å; S50-E62 PolarHBondContact N-OE1 3Å; S50-E62 PolarHBondContact N-OE2 3.04Å; S50-E62 PolarHBondContact OG-OE1 2.96Å; W60-E62 HydrophobicContact CB-CB 4.34Å; W60-E62 HydrophobicContact CB-CG 4.24Å; W60-E62 PolarHBondContact O-N 3.13Å
63E96.4Very high86.4Confident80 Ų8062.8 Ų62.837%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-131.3142.2-169.7-172.5170.9111.400112.4Q16 V17 T18Q16-E63 VanDerWaalsContact CG-CD 3.41Å; Q16-E63 HydrophobicContact CG-CG 3.99Å; Q16-E63 WeakPolarHBondContact CG-OE1 3.41Å; Q16-E63 PolarHBondContact NE2-OE1 3.26Å; Q16-E63 PolarHBondContact NE2-OE2 3.17Å; V17-E63 WeakPolarHBondContact O-CA 3.04Å; T18-E63 HydrophobicContact CG2-CB 4.23Å; T18-E63 PolarHBondContact OG1-OE2 3.37Å
64A95.5Very high84.3Confident7 Ų766 Ų666%0.05835%0.351CS..EExtended strand (participates in β ladder)trans-128136.7165.700000109.9V17 I40 Y47 F66V17-A64 PolarHBondContact N-O 2.68Å; V17-A64 PolarHBondContact O-N 3.49Å; I40-A64 HydrophobicContact CD1-CB 4.06Å; Y47-A64 HydrophobicContact CD1-CB 4.01Å; Y47-A64 HydrophobicContact CD2-CB 4.18Å; Y47-A64 HydrophobicContact CG-CB 3.69Å; A64-F66 HydrophobicContact CB-CD2 4.41Å; A64-F66 HydrophobicContact CB-CE2 3.54Å; A64-F66 HydrophobicContact CB-CZ 3.65Å
65S94.2Very high82.1Confident63 Ų6368 Ų6844%0.44136%0.363SS..EExtended strand (participates in β ladder)trans-106.7136.8167.3-74.50000109.5V15V15-S65 WeakPolarHBondContact O-CA 3.39Å
66F92.1Very high80.2Confident5 Ų569.5 Ų69.52%0.02237%0.369CS..EExtended strand (participates in β ladder)trans-123.9144.9-179.6-56.4-90.4000110.1H14 V15 V17 I40 L42 E45 A64H14-F66 CarbonylContact C-O 3.31Å; H14-F66 VanDerWaalsContact CA-O 3.25Å; H14-F66 WeakPolarHBondContact CA-O 3.42Å; V15-F66 HydrophobicContact CG1-CB 4.04Å; V15-F66 HydrophobicContact CG1-CD2 4.36Å; V15-F66 PolarHBondContact N-O 3.23Å; V15-F66 PolarHBondContact O-N 3Å; V17-F66 HydrophobicContact CB-CE2 4.32Å; V17-F66 HydrophobicContact CG2-CD2 4.21Å; V17-F66 HydrophobicContact CG2-CE2 4.16Å; I40-F66 HydrophobicContact CB-CE2 4.47Å; I40-F66 HydrophobicContact CB-CZ 4.03Å; I40-F66 HydrophobicContact CG2-CE2 3.61Å; I40-F66 HydrophobicContact CG2-CZ 3.57Å; L42-F66 HydrophobicContact CB-CB 4.31Å; L42-F66 HydrophobicContact CB-CD1 3.9Å; L42-F66 HydrophobicContact CB-CD2 4.48Å; L42-F66 HydrophobicContact CB-CE1 4.33Å; L42-F66 HydrophobicContact CB-CG 3.98Å; L42-F66 HydrophobicContact CD2-CB 3.75Å; L42-F66 HydrophobicContact CD2-CG 4.23Å; E45-F66 HydrophobicContact CB-CD1 3.76Å; E45-F66 HydrophobicContact CB-CE1 4.05Å; A64-F66 HydrophobicContact CB-CD2 4.41Å; A64-F66 HydrophobicContact CB-CE2 3.54Å; A64-F66 HydrophobicContact CB-CZ 3.65Å
67E88.6Confident78.6Confident119 Ų11970.8 Ų70.856%0.55638%0.38SS*.EExtended strand (participates in β ladder)trans-81137.3171.6-172.1167.5-151.700110.3
68L85.6Confident76.9Confident7 Ų774.5 Ų74.54%0.03740%0.395CS..  trans-89.5124178.6-64174.4000109.3P12 T13 V15 L42 G70 L72 Y80 L105 F142P12-L68 HydrophobicContact CB-CD1 3.9Å; P12-L68 HydrophobicContact CG-CD1 3.77Å; T13-L68 PolarHBondContact O-N 3.48Å; V15-L68 HydrophobicContact CB-CD2 4.2Å; V15-L68 HydrophobicContact CG1-CD2 3.84Å; L42-L68 HydrophobicContact CD2-CD2 4.03Å; L68-G70 PolarHBondContact O-N 3Å; L68-L72 HydrophobicContact CD1-CD2 4.42Å; L68-Y80 HydrophobicContact CD2-CD1 4.41Å; L68-L105 HydrophobicContact CD2-CD1 4.32Å; L68-F142 HydrophobicContact CD1-CD1 4.25Å
69P65.6Low75.6Confident75 Ų7579.2 Ų79.249%0.48742%0.415SS..SBendtrans-77.168.4-171.531.2-37.8000113.4K79 Y80P69-K79 HydrophobicContact CG-CB 4.25Å; P69-K79 HydrophobicContact CG-CD 4.37Å; P69-Y80 HydrophobicContact CG-CE1 4.07Å; P69-Y80 PolarHBondContact O-OH 3.25Å
70G61.5Low74.9Confident46 Ų4676 Ų7647%0.47440%0.395SS..SBendtrans108.8-175.8178.600000113.5L68L68-G70 PolarHBondContact O-N 3Å
71L59Low74.6Confident101 Ų10176.2 Ų76.253%0.52940%0.398SS..SBendtrans-56.4142.9164.4-68.4170.3000109.2F11 T73 Y80F11-L71 HydrophobicContact CB-CD2 3.66Å; F11-L71 HydrophobicContact CD1-CD2 3.93Å; F11-L71 HydrophobicContact CD2-CD2 3.6Å; F11-L71 HydrophobicContact CE1-CD2 4.43Å; F11-L71 HydrophobicContact CE2-CD2 4.15Å; F11-L71 HydrophobicContact CG-CD2 3.47Å; F11-L71 VanDerWaalsContact CG-CD2 3.47Å; L71-T73 VanDerWaalsContact CB-OG1 3.29Å; L71-T73 WeakPolarHBondContact CB-OG1 3.48Å; L71-T73 PolarHBondContact O-N 3.34Å; L71-T73 PolarHBondContact O-OG1 3.13Å; L71-Y80 PolarHBondContact O-OH 2.81Å
72L56.8Low74.5Confident22 Ų2269 Ų6912%0.11537%0.367CS..SBendtrans-65.980.7172.5-65.5178.5000109.6P12 L68 Y80 F109P12-L72 HydrophobicContact CG-CD1 3.67Å; P12-L72 HydrophobicContact CG-CG 4.35Å; L68-L72 HydrophobicContact CD1-CD2 4.42Å; L72-Y80 HydrophobicContact CD2-CD1 3.59Å; L72-Y80 HydrophobicContact CD2-CE1 3.45Å; L72-Y80 VanDerWaalsContact CD2-CE1 3.45Å; L72-Y80 HydrophobicContact CD2-CE2 4.46Å; L72-Y80 HydrophobicContact CD2-CG 4.17Å; L72-F109 HydrophobicContact CD1-CB 3.95Å; L72-F109 HydrophobicContact CD1-CD1 3.42Å; L72-F109 VanDerWaalsContact CD1-CD1 3.42Å; L72-F109 HydrophobicContact CD1-CD2 4.03Å; L72-F109 HydrophobicContact CD1-CE1 3.87Å; L72-F109 HydrophobicContact CD1-CE2 4.44Å; L72-F109 HydrophobicContact CD1-CG 3.5Å; L72-F109 HydrophobicContact CD1-CZ 4.36Å
73T50.5Low74.4Confident78 Ų7870.8 Ų70.848%0.47937%0.373SS..  trans-122.8141.2-170.2-50.60000109.5L71 E75L71-T73 VanDerWaalsContact CB-OG1 3.29Å; L71-T73 WeakPolarHBondContact CB-OG1 3.48Å; L71-T73 PolarHBondContact O-N 3.34Å; L71-T73 PolarHBondContact O-OG1 3.13Å; T73-E75 PolarHBondContact O-N 3.09Å
74Q50.2Low74.5Confident191 Ų19167 Ų6789%0.89336%0.355SS*.THydrogen-bonded Turntrans-67.2-1-159.7-156.1169.3300116.2N76Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 2.92Å
75E51Low74.6Confident174 Ų17467.8 Ų67.881%0.81336%0.359SS*.THydrogen-bonded Turntrans-68.1-19.6-175.9-69.6-161.513100115T73T73-E75 PolarHBondContact O-N 3.09Å
76N56.2Low74.8Confident69 Ų6964.8 Ų64.837%0.36934%0.338SS..  trans-155.879.3-172.9-120.5-114.8000113.3Q74 E78 K79 Y80Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 2.92Å; N76-E78 VanDerWaalsContact C-N 3.32Å; N76-E78 PolarHBondContact O-N 3.14Å; N76-K79 HydrophobicContact CB-CD 3.85Å; N76-K79 HydrophobicContact CB-CG 4.13Å; N76-K79 PolarHBondContact O-N 3.04Å; N76-K79 WeakPolarHBondContact OD1-CE 3.33Å; N76-Y80 WeakPolarHBondContact O-CD2 3.25Å
77P60.8Low75Confident78 Ų7865.7 Ų65.751%0.50634%0.343SS..G310 helixtrans-63-33.7-177.523.9-33.5000113.5K79 Y80P77-K79 PolarHBondContact O-N 3.25Å; P77-K79 VanDerWaalsContact O-N 3.16Å; P77-Y80 PolarHBondContact O-N 3.49Å; P77-Y80 VanDerWaalsContact O-N 3.08Å
78E62.6Low75.4Confident165 Ų16560.3 Ų60.377%0.77132%0.317SS*.G310 helixtrans-59.5-28.4-179-64.5-164.414600114N76 Y80 V81N76-E78 VanDerWaalsContact C-N 3.32Å; N76-E78 PolarHBondContact O-N 3.14Å; E78-Y80 PolarHBondContact O-N 3.25Å; E78-V81 PolarHBondContact O-N 2.8Å
79K69.3Low76Confident100 Ų10065 Ų6544%0.43534%0.335SS..G310 helixtrans-65.9-21.4178.9-69.1-179-176155.90113P69 N76 P77P69-K79 HydrophobicContact CG-CB 4.25Å; P69-K79 HydrophobicContact CG-CD 4.37Å; N76-K79 HydrophobicContact CB-CD 3.85Å; N76-K79 HydrophobicContact CB-CG 4.13Å; N76-K79 PolarHBondContact O-N 3.04Å; N76-K79 WeakPolarHBondContact OD1-CE 3.33Å; P77-K79 PolarHBondContact O-N 3.25Å; P77-K79 VanDerWaalsContact O-N 3.16Å
80Y84.6Confident77.4Confident8 Ų862.2 Ų62.23%0.03132%0.317CS..G310 helixtrans-106.113.1-173.3-58.2-66.1000113.1L68 P69 L71 L72 N76 P77 E78 L82 L105 N106L68-Y80 HydrophobicContact CD2-CD1 4.41Å; P69-Y80 HydrophobicContact CG-CE1 4.07Å; P69-Y80 PolarHBondContact O-OH 3.25Å; L71-Y80 PolarHBondContact O-OH 2.81Å; L72-Y80 HydrophobicContact CD2-CD1 3.59Å; L72-Y80 HydrophobicContact CD2-CE1 3.45Å; L72-Y80 VanDerWaalsContact CD2-CE1 3.45Å; L72-Y80 HydrophobicContact CD2-CE2 4.46Å; L72-Y80 HydrophobicContact CD2-CG 4.17Å; N76-Y80 WeakPolarHBondContact O-CD2 3.25Å; P77-Y80 PolarHBondContact O-N 3.49Å; P77-Y80 VanDerWaalsContact O-N 3.08Å; E78-Y80 PolarHBondContact O-N 3.25Å; Y80-L82 PolarHBondContact O-N 3.1Å; Y80-L105 VanDerWaalsContact O-CB 3.3Å; Y80-L105 WeakPolarHBondContact O-CB 3.39Å; Y80-L105 VanDerWaalsContact O-CG 3.29Å; Y80-L105 WeakPolarHBondContact O-CG 3.45Å; Y80-L105 PolarHBondContact O-N 3.2Å; Y80-N106 WeakPolarHBondContact CB-ND2 3.39Å
81V92.3Very high78.7Confident25 Ų2567.6 Ų67.615%0.15233%0.334CS..EExtended strand (participates in β ladder)trans-86.3109.3174.3-174.30000109.9E78 Y83 A102E78-V81 PolarHBondContact O-N 2.8Å; V81-Y83 HydrophobicContact CB-CD2 4.44Å; V81-Y83 HydrophobicContact CB-CE2 3.81Å; V81-Y83 HydrophobicContact CG1-CD2 4.01Å; V81-Y83 HydrophobicContact CG1-CE1 4.23Å; V81-Y83 HydrophobicContact CG1-CE2 3.48Å; V81-Y83 VanDerWaalsContact CG1-CE2 3.48Å; V81-Y83 WeakPolarHBondContact O-CD2 3.22Å; V81-A102 HydrophobicContact CG1-CB 3.83Å
82L94.8Very high80.3Confident0 Ų068.9 Ų68.90%035%0.346CS..EExtended strand (participates in β ladder)trans-77.1117.9170.4174.367.9000109.3V17 I40 L42 Y80 L84 V103 L105 I140V17-L82 HydrophobicContact CG1-CD2 3.94Å; V17-L82 HydrophobicContact CG2-CD1 4.16Å; V17-L82 HydrophobicContact CG2-CD2 3.86Å; I40-L82 HydrophobicContact CG2-CD1 3.75Å; L42-L82 HydrophobicContact CD1-CB 4.42Å; Y80-L82 PolarHBondContact O-N 3.1Å; L82-L84 HydrophobicContact CD2-CD1 4.45Å; L82-L84 HydrophobicContact CG-CG 4.4Å; L82-V103 HydrophobicContact CB-CB 4.34Å; L82-V103 PolarHBondContact N-O 2.75Å; L82-V103 PolarHBondContact O-N 2.9Å; L82-L105 HydrophobicContact CB-CD1 4.28Å; L82-L105 HydrophobicContact CB-CD2 4.04Å; L82-L105 HydrophobicContact CB-CG 4.05Å; L82-L105 HydrophobicContact CD2-CD2 4.17Å; L82-I140 HydrophobicContact CD2-CD1 3.92Å; L82-I140 HydrophobicContact CD2-CG1 4.37Å
83Y96.1Very high82Confident74 Ų7470.9 Ų70.929%0.2937%0.372SS..EExtended strand (participates in β ladder)trans-99.8125.2174.6-70.7-88.9000110.6Q41 V81 A102Q41-Y83 PolarHBondContact N-O 2.92Å; Q41-Y83 PolarHBondContact O-N 3.26Å; V81-Y83 HydrophobicContact CB-CD2 4.44Å; V81-Y83 HydrophobicContact CB-CE2 3.81Å; V81-Y83 HydrophobicContact CG1-CD2 4.01Å; V81-Y83 HydrophobicContact CG1-CE1 4.23Å; V81-Y83 HydrophobicContact CG1-CE2 3.48Å; V81-Y83 VanDerWaalsContact CG1-CE2 3.48Å; V81-Y83 WeakPolarHBondContact O-CD2 3.22Å; Y83-A102 HydrophobicContact CD1-CB 3.91Å; Y83-A102 HydrophobicContact CE1-CB 3.68Å
84L97.6Very high84.1Confident0 Ų075 Ų750%039%0.39CS..EExtended strand (participates in β ladder)trans-113.4109.8174.3-68.2159.2000107.6V17 V19 T38 I40 L82 Q100 V101 V103 V138V17-L84 HydrophobicContact CG1-CD2 4.46Å; V19-L84 HydrophobicContact CG2-CD2 3.73Å; T38-L84 HydrophobicContact CG2-CD2 4.29Å; I40-L84 HydrophobicContact CB-CD2 4.41Å; I40-L84 HydrophobicContact CG1-CD2 4.13Å; I40-L84 HydrophobicContact CG2-CD2 3.98Å; L82-L84 HydrophobicContact CD2-CD1 4.45Å; L82-L84 HydrophobicContact CG-CG 4.4Å; L84-Q100 CarbonylContact O-C 3.56Å; L84-Q100 WeakPolarHBondContact O-CA 3.4Å; L84-V101 HydrophobicContact CB-CG1 3.81Å; L84-V101 HydrophobicContact CD1-CG1 3.85Å; L84-V101 HydrophobicContact CG-CG1 4.43Å; L84-V101 PolarHBondContact N-O 2.84Å; L84-V101 PolarHBondContact O-N 3.4Å; L84-V103 HydrophobicContact CD1-CG2 4.44Å; L84-V138 HydrophobicContact CD1-CB 4.48Å; L84-V138 HydrophobicContact CD1-CG1 4.39Å; L84-V138 HydrophobicContact CD1-CG2 3.82Å; L84-V138 HydrophobicContact CD2-CG2 4.45Å
85V97.5Very high86.3Confident24 Ų2468 Ų6815%0.14536%0.359CS..EExtended strand (participates in β ladder)trans-118.4110.2-173-175.90000110.3I39 M87 F97 Q100I39-V85 HydrophobicContact CB-CB 4.3Å; I39-V85 PolarHBondContact N-O 3.18Å; I39-V85 PolarHBondContact O-N 3.34Å; V85-M87 HydrophobicContact CG1-CG 4.18Å; V85-M87 HydrophobicContact CG1-SD 4.07Å; V85-F97 HydrophobicContact CG1-CD2 4.06Å; V85-F97 HydrophobicContact CG1-CE2 3.98Å; V85-Q100 HydrophobicContact CG2-CB 4.05Å
86V97.8Very high88.4Confident0 Ų063.5 Ų63.50%034%0.336CS..EExtended strand (participates in β ladder)trans-89.1127.6-179.1-166.80000109.7L25 T38 W60 L98 G99 L122 I136L25-V86 HydrophobicContact CD1-CG1 3.92Å; L25-V86 HydrophobicContact CD2-CG1 4.33Å; T38-V86 HydrophobicContact CG2-CG2 4.49Å; W60-V86 HydrophobicContact CH2-CG1 4.2Å; V86-L98 HydrophobicContact CB-CB 4.24Å; V86-L98 HydrophobicContact CG1-CB 4.11Å; V86-L98 HydrophobicContact CG1-CD1 4.04Å; V86-L98 WeakPolarHBondContact O-CA 3.5Å; V86-L98 WeakPolarHBondContact O-CB 3.31Å; V86-L98 PolarHBondContact O-N 3.43Å; V86-G99 PolarHBondContact N-O 3.11Å; V86-G99 PolarHBondContact O-N 2.95Å; V86-L122 HydrophobicContact CB-CD1 4.4Å; V86-L122 HydrophobicContact CG2-CD1 3.84Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; V86-I136 HydrophobicContact CG2-CD1 3.99Å
87M97.4Very high90.2Very high23 Ų2361.8 Ų61.811%0.11333%0.326CS..EExtended strand (participates in β ladder)trans-130.4141.3-171.9-67.1-65.7-62.500110.5A36 Y37 I39 V85 D95 F97A36-M87 WeakPolarHBondContact CA-O 3.36Å; Y37-M87 HydrophobicContact CD1-CB 4.02Å; Y37-M87 WeakPolarHBondContact CD1-O 3.21Å; Y37-M87 HydrophobicContact CE1-CB 3.46Å; Y37-M87 VanDerWaalsContact CE1-CB 3.46Å; Y37-M87 HydrophobicContact CE1-CG 4.49Å; Y37-M87 HydrophobicContact CE2-CB 4.17Å; Y37-M87 PolarHBondContact N-O 2.87Å; Y37-M87 PolarHBondContact O-N 3.09Å; I39-M87 HydrophobicContact CD1-CG 4.17Å; V85-M87 HydrophobicContact CG1-CG 4.18Å; V85-M87 HydrophobicContact CG1-SD 4.07Å; M87-D95 HydrophobicContact CE-CB 3.64Å; M87-D95 WeakPolarHBondContact CE-O 3.44Å; M87-F97 HydrophobicContact SD-CB 4.06Å; M87-F97 HydrophobicContact SD-CD2 4.08Å
88H97.4Very high91.9Very high6 Ų658.1 Ų58.13%0.02830%0.302CS..EExtended strand (participates in β ladder)trans-93122.2166.7166.340.4000109.7K28 G29 D35 S90 D95 K96 L98K28-H88 HydrophobicContact CB-CB 4.32Å; G29-H88 VanDerWaalsContact CA-NE2 3.27Å; G29-H88 WeakPolarHBondContact CA-NE2 3.31Å; G29-H88 PolarHBondContact N-NE2 2.87Å; D35-H88 PolarHBondContact N-ND1 2.6Å; D35-H88 VanDerWaalsContact N-ND1 3.15Å; D35-H88 CarbonylContact O-C 3.04Å; D35-H88 VanDerWaalsContact O-CA 3.24Å; D35-H88 WeakPolarHBondContact O-CA 3.46Å; D35-H88 PolarHBondContact O-ND1 3.01Å; D35-H88 IonicContact OD2-CE1 3.77Å; D35-H88 PolarHBondContact OD2-CE1 3.29Å; H88-S90 PolarHBondContact O-N 3.08Å; H88-D95 CarbonylContact O-C 3.46Å; H88-D95 WeakPolarHBondContact O-CA 3.42Å; H88-D95 WeakPolarHBondContact O-CB 3.22Å; H88-K96 HydrophobicContact CB-CB 4.33Å; H88-K96 PolarHBondContact N-O 3.48Å; H88-K96 PolarHBondContact O-N 3.4Å; H88-L98 HydrophobicContact CB-CD1 3.9Å; H88-L98 HydrophobicContact CB-CD2 4.09Å; H88-L98 HydrophobicContact CB-CG 3.93Å
89R97.1Very high93.5Very high107 Ų10750.3 Ų50.340%0.40427%0.265SS..  trans-66.9115173.5-176.466.768.2-172.110.7110.8D35 Y37 V51 D95D35-R89 HydrophobicContact CB-CB 4.39Å; D35-R89 PolarHBondContact O-N 2.92Å; Y37-R89 HydrophobicContact CD1-CB 4.34Å; Y37-R89 HydrophobicContact CE1-CB 4.4Å; V51-R89 HydrophobicContact CG1-CB 4.14Å; V51-R89 HydrophobicContact CG2-CB 4.41Å; R89-D95 VanDerWaalsContact CA-OD1 3.28Å; R89-D95 WeakPolarHBondContact CA-OD1 3.3Å; R89-D95 IonicContact CZ-OD2 3.54Å; R89-D95 IonicContact NE-OD2 3.93Å; R89-D95 IonicContact NH1-OD2 2.67Å; R89-D95 PolarHBondContact NH1-OD2 2.79Å
90S94.8Very high94.7Very high16 Ų1646.7 Ų46.711%0.11225%0.25CS..  trans-83.4125.6174.7-74.70000110.8H88 V92 L94 D95 K96H88-S90 PolarHBondContact O-N 3.08Å; S90-V92 PolarHBondContact O-N 3.24Å; S90-L94 VanDerWaalsContact CB-O 3.3Å; S90-L94 WeakPolarHBondContact CB-O 3.47Å; S90-L94 PolarHBondContact OG-O 2.98Å; S90-D95 PolarHBondContact N-OD1 3.41Å; S90-K96 VanDerWaalsContact OG-CE 3.26Å; S90-K96 WeakPolarHBondContact OG-CE 3.26Å
91L90Very high95.2Very high159 Ų15947 Ų4783%0.83225%0.253SS*.SBendtrans-61.5-24.6170.5-67175.6000113.4
92V91.1Very high95.4Very high127 Ų12748.1 Ų48.177%0.7726%0.264SS*.SBendtrans-144.5130.5177-177.80000108.7S90S90-V92 PolarHBondContact O-N 3.24Å
93G92.2Very high95.3Very high65 Ų6548.5 Ų48.567%0.6727%0.267SS*.SBendtrans84.1-160.9-178.300000113.4
94L95Very high95.1Very high163 Ų16347 Ų4785%0.85326%0.264SS*.SBendtrans-82150.6-175.9-61.6177.4000112.9S90S90-L94 VanDerWaalsContact CB-O 3.3Å; S90-L94 WeakPolarHBondContact CB-O 3.47Å; S90-L94 PolarHBondContact OG-O 2.98Å
95D96.3Very high94.7Very high44 Ų4447 Ų4724%0.23526%0.264CS..PPolyproline II helixtrans-68.3143178.4-65.8-27.5000112.5Y37 M87 H88 R89 S90Y37-D95 PolarHBondContact OH-OD2 3.34Å; M87-D95 HydrophobicContact CE-CB 3.64Å; M87-D95 WeakPolarHBondContact CE-O 3.44Å; H88-D95 CarbonylContact O-C 3.46Å; H88-D95 WeakPolarHBondContact O-CA 3.42Å; H88-D95 WeakPolarHBondContact O-CB 3.22Å; R89-D95 VanDerWaalsContact CA-OD1 3.28Å; R89-D95 WeakPolarHBondContact CA-OD1 3.3Å; R89-D95 IonicContact CZ-OD2 3.54Å; R89-D95 IonicContact NE-OD2 3.93Å; R89-D95 IonicContact NH1-OD2 2.67Å; R89-D95 PolarHBondContact NH1-OD2 2.79Å; S90-D95 PolarHBondContact N-OD1 3.41Å
96K94.8Very high94.2Very high80 Ų8047.3 Ų47.335%0.34827%0.265SS..EExtended strand (participates in β ladder)trans-101.3122.4-168.9-54.2179.7-144.1164.90110.7K28 H88 S90 L98K28-K96 HydrophobicContact CB-CB 4.32Å; K28-K96 HydrophobicContact CB-CD 4.28Å; K28-K96 PolarHBondContact O-NZ 2.94Å; H88-K96 HydrophobicContact CB-CB 4.33Å; H88-K96 PolarHBondContact N-O 3.48Å; H88-K96 PolarHBondContact O-N 3.4Å; S90-K96 VanDerWaalsContact OG-CE 3.26Å; S90-K96 WeakPolarHBondContact OG-CE 3.26Å; K96-L98 PolarHBondContact O-N 3.49Å
97F95.6Very high93.7Very high34 Ų3451.6 Ų51.615%0.14929%0.288CS..EExtended strand (participates in β ladder)trans-65.4113.6-178.6173.7-94.9000113.1V85 M87 G99 Q100 K125 R133V85-F97 HydrophobicContact CG1-CD2 4.06Å; V85-F97 HydrophobicContact CG1-CE2 3.98Å; M87-F97 HydrophobicContact SD-CB 4.06Å; M87-F97 HydrophobicContact SD-CD2 4.08Å; F97-G99 WeakPolarHBondContact CE2-O 3.34Å; F97-Q100 HydrophobicContact CE2-CB 3.92Å; F97-Q100 HydrophobicContact CE2-CG 4.18Å; F97-Q100 HydrophobicContact CZ-CB 4.03Å; F97-Q100 HydrophobicContact CZ-CG 3.91Å; F97-K125 HydrophobicContact CD1-CG 4.08Å; F97-K125 HydrophobicContact CD2-CD 4.4Å; F97-K125 VanDerWaalsContact CD2-CE 3.45Å; F97-K125 HydrophobicContact CD2-CG 4.06Å; F97-K125 HydrophobicContact CE1-CG 3.74Å; F97-K125 HydrophobicContact CE2-CD 4.41Å; F97-K125 HydrophobicContact CE2-CG 3.68Å; F97-K125 HydrophobicContact CG-CG 4.23Å; F97-K125 HydrophobicContact CZ-CB 4.47Å; F97-K125 HydrophobicContact CZ-CG 3.52Å; F97-R133 PolarHBondContact O-NH1 3.37Å; F97-R133 VanDerWaalsContact O-NH1 3.16Å
98L95.4Very high93.3Very high1 Ų151.5 Ų51.51%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-86.5-43.2178.2-65.7175.9000111.7L25 K26 K28 N34 A36 V86 H88 K96 R133L25-L98 HydrophobicContact CD1-CD1 4.12Å; K26-L98 VanDerWaalsContact O-CD2 3.29Å; K26-L98 WeakPolarHBondContact O-CD2 3.48Å; K28-L98 HydrophobicContact CB-CD2 3.92Å; K28-L98 HydrophobicContact CG-CD2 3.54Å; N34-L98 HydrophobicContact CB-CD1 4.13Å; A36-L98 HydrophobicContact CB-CD1 4.08Å; V86-L98 HydrophobicContact CB-CB 4.24Å; V86-L98 HydrophobicContact CG1-CB 4.11Å; V86-L98 HydrophobicContact CG1-CD1 4.04Å; V86-L98 WeakPolarHBondContact O-CA 3.5Å; V86-L98 WeakPolarHBondContact O-CB 3.31Å; V86-L98 PolarHBondContact O-N 3.43Å; H88-L98 HydrophobicContact CB-CD1 3.9Å; H88-L98 HydrophobicContact CB-CD2 4.09Å; H88-L98 HydrophobicContact CB-CG 3.93Å; K96-L98 PolarHBondContact O-N 3.49Å; L98-R133 WeakPolarHBondContact O-CB 3.35Å; L98-R133 VanDerWaalsContact O-CD 3.26Å; L98-R133 WeakPolarHBondContact O-CD 3.48Å; L98-R133 WeakPolarHBondContact O-CG 3.3Å; L98-R133 PolarHBondContact O-NH1 2.91Å
99G95.4Very high92.7Very high0 Ų052.5 Ų52.50%029%0.292CS..EExtended strand (participates in β ladder)trans178.6174174.500000112.9V86 F97 E123V86-G99 PolarHBondContact N-O 3.11Å; V86-G99 PolarHBondContact O-N 2.95Å; F97-G99 WeakPolarHBondContact CE2-O 3.34Å; G99-E123 WeakPolarHBondContact CA-O 3.36Å
100Q95.7Very high92Very high24 Ų2454.4 Ų54.411%0.11231%0.305CS..EExtended strand (participates in β ladder)trans-143.3156.6169.867.6-173.859.600111.7L84 V85 F97 E123L84-Q100 CarbonylContact O-C 3.56Å; L84-Q100 WeakPolarHBondContact O-CA 3.4Å; V85-Q100 HydrophobicContact CG2-CB 4.05Å; F97-Q100 HydrophobicContact CE2-CB 3.92Å; F97-Q100 HydrophobicContact CE2-CG 4.18Å; F97-Q100 HydrophobicContact CZ-CB 4.03Å; F97-Q100 HydrophobicContact CZ-CG 3.91Å; Q100-E123 PolarHBondContact N-O 3.49Å; Q100-E123 WeakPolarHBondContact O-CA 3.29Å; Q100-E123 WeakPolarHBondContact O-CB 3.39Å; Q100-E123 PolarHBondContact O-N 3.29Å
101V95.6Very high91.5Very high16 Ų1657.2 Ų57.210%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-131.1146.8158.562.10000109.4L84 V103 F120 L122 I136L84-V101 HydrophobicContact CB-CG1 3.81Å; L84-V101 HydrophobicContact CD1-CG1 3.85Å; L84-V101 HydrophobicContact CG-CG1 4.43Å; L84-V101 PolarHBondContact N-O 2.84Å; L84-V101 PolarHBondContact O-N 3.4Å; V101-V103 HydrophobicContact CG1-CG2 4.28Å; V101-V103 HydrophobicContact CG2-CG2 4.07Å; V101-F120 HydrophobicContact CB-CB 4.48Å; V101-F120 HydrophobicContact CG1-CB 3.96Å; V101-F120 HydrophobicContact CG2-CB 4.22Å; V101-F120 HydrophobicContact CG2-CD1 4.48Å; V101-L122 HydrophobicContact CG1-CD2 4.45Å; V101-I136 HydrophobicContact CG1-CG2 4.05Å
102A94.6Very high90.8Very high47 Ų4758.2 Ų58.239%0.38832%0.316SS..EExtended strand (participates in β ladder)trans-112.3124.717300000108V81 Y83V81-A102 HydrophobicContact CG1-CB 3.83Å; Y83-A102 HydrophobicContact CD1-CB 3.91Å; Y83-A102 HydrophobicContact CE1-CB 3.68Å
103V93.3Very high90Very high8 Ų860.7 Ų60.75%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-122.4112.5-173.8-175.40000108.5L82 L84 V101 L105 I108 F120 I140L82-V103 HydrophobicContact CB-CB 4.34Å; L82-V103 PolarHBondContact N-O 2.75Å; L82-V103 PolarHBondContact O-N 2.9Å; L84-V103 HydrophobicContact CD1-CG2 4.44Å; V101-V103 HydrophobicContact CG1-CG2 4.28Å; V101-V103 HydrophobicContact CG2-CG2 4.07Å; V103-L105 PolarHBondContact O-N 2.77Å; V103-I108 HydrophobicContact CG1-CD1 3.62Å; V103-I108 HydrophobicContact CG1-CG1 3.68Å; V103-F120 HydrophobicContact CG1-CE1 3.95Å; V103-F120 HydrophobicContact CG1-CZ 4.43Å; V103-F120 HydrophobicContact CG2-CD1 3.79Å; V103-F120 HydrophobicContact CG2-CE1 3.74Å; V103-F120 HydrophobicContact CG2-CZ 4.46Å; V103-I140 HydrophobicContact CG1-CD1 3.99Å
104N91.6Very high89.4Confident43 Ų4361.4 Ų61.423%0.2330%0.302CS..EExtended strand (participates in β ladder)trans-74.7110.9175.5173.317.4000109.7N106 D107 I108N104-N106 PolarHBondContact O-N 2.86Å; N104-N106 PolarHBondContact OD1-N 2.78Å; N104-N106 PolarHBondContact OD1-ND2 2.99Å; N104-D107 WeakPolarHBondContact CB-OD2 3.29Å; N104-D107 PolarHBondContact ND2-OD1 3.31Å; N104-D107 PolarHBondContact ND2-OD2 3.38Å; N104-D107 PolarHBondContact O-N 2.99Å; N104-I108 WeakPolarHBondContact O-CG1 3.29Å
105L90.1Very high88.8Confident0 Ų062 Ų620%029%0.293CS..Hα-helixtrans-67-20.3-174.7-66.7175.8000113.7V15 L42 L68 Y80 L82 V103 I108 F109 I140 F142V15-L105 HydrophobicContact CB-CD1 4.47Å; V15-L105 HydrophobicContact CG1-CD1 3.91Å; V15-L105 HydrophobicContact CG2-CD1 4.38Å; V15-L105 HydrophobicContact CG2-CD2 4.29Å; L42-L105 HydrophobicContact CD1-CD1 3.71Å; L42-L105 HydrophobicContact CD2-CD1 3.87Å; L42-L105 HydrophobicContact CG-CD1 4.48Å; L68-L105 HydrophobicContact CD2-CD1 4.32Å; Y80-L105 VanDerWaalsContact O-CB 3.3Å; Y80-L105 WeakPolarHBondContact O-CB 3.39Å; Y80-L105 VanDerWaalsContact O-CG 3.29Å; Y80-L105 WeakPolarHBondContact O-CG 3.45Å; Y80-L105 PolarHBondContact O-N 3.2Å; L82-L105 HydrophobicContact CB-CD1 4.28Å; L82-L105 HydrophobicContact CB-CD2 4.04Å; L82-L105 HydrophobicContact CB-CG 4.05Å; L82-L105 HydrophobicContact CD2-CD2 4.17Å; V103-L105 PolarHBondContact O-N 2.77Å; L105-I108 PolarHBondContact O-N 3.24Å; L105-F109 WeakPolarHBondContact O-CB 3.45Å; L105-F109 PolarHBondContact O-N 3.44Å; L105-I140 HydrophobicContact CD2-CD1 4.4Å; L105-I140 HydrophobicContact CD2-CG2 3.92Å; L105-F142 HydrophobicContact CB-CE1 4.25Å; L105-F142 HydrophobicContact CB-CZ 4.08Å; L105-F142 HydrophobicContact CD2-CZ 4.24Å; L105-F142 VanDerWaalsContact O-CZ 3.31Å; L105-F142 WeakPolarHBondContact O-CZ 3.38Å
106N86.2Confident88.4Confident30 Ų3066 Ų6616%0.1631%0.308CS..Hα-helixtrans-63.9-45.7174.3-58.4-70000110.6Y80 N104 I108 F109 E110Y80-N106 WeakPolarHBondContact CB-ND2 3.39Å; N104-N106 PolarHBondContact O-N 2.86Å; N104-N106 PolarHBondContact OD1-N 2.78Å; N104-N106 PolarHBondContact OD1-ND2 2.99Å; N106-I108 VanDerWaalsContact C-N 3.26Å; N106-I108 PolarHBondContact O-N 3.25Å; N106-F109 WeakPolarHBondContact O-CB 3.44Å; N106-F109 PolarHBondContact O-N 3.48Å; N106-E110 PolarHBondContact O-N 2.85Å
107D87.6Confident88.4Confident91 Ų9164.5 Ų64.549%0.48731%0.306SS..Hα-helixtrans-64-33.6179.5-48.5-19.1000111.2N104 F109 D111N104-D107 WeakPolarHBondContact CB-OD2 3.29Å; N104-D107 PolarHBondContact ND2-OD1 3.31Å; N104-D107 PolarHBondContact ND2-OD2 3.38Å; N104-D107 PolarHBondContact O-N 2.99Å; D107-F109 VanDerWaalsContact C-N 3.35Å; D107-D111 PolarHBondContact O-N 2.81Å
108I88.8Confident88.4Confident20 Ų2064.3 Ų64.310%0.10331%0.306CS..Hα-helixtrans-72-29.1174.2-43.2-58.2000112.1V103 N104 L105 N106 I140 F142V103-I108 HydrophobicContact CG1-CD1 3.62Å; V103-I108 HydrophobicContact CG1-CG1 3.68Å; N104-I108 WeakPolarHBondContact O-CG1 3.29Å; L105-I108 PolarHBondContact O-N 3.24Å; N106-I108 VanDerWaalsContact C-N 3.26Å; N106-I108 PolarHBondContact O-N 3.25Å; I108-I140 HydrophobicContact CG1-CD1 4.46Å; I108-I140 HydrophobicContact CG2-CB 4.38Å; I108-I140 HydrophobicContact CG2-CG2 4.2Å; I108-F142 HydrophobicContact CB-CE2 4.03Å; I108-F142 HydrophobicContact CB-CZ 4.18Å; I108-F142 HydrophobicContact CG2-CE2 3.97Å; I108-F142 HydrophobicContact CG2-CZ 4.49Å
109F84.8Confident88.5Confident28 Ų2868.4 Ų68.412%0.12332%0.321CS..Hα-helixtrans-82.7-34-178.9176.4-109.1000112.7W10 P12 L72 L105 N106 D107 F142W10-F109 HydrophobicContact CE3-CE2 4.07Å; W10-F109 AromaticContact CZ3-CE2 3.92Å; W10-F109 HydrophobicContact CZ3-CE2 3.92Å; P12-F109 VanDerWaalsContact CD-CE2 3.46Å; P12-F109 HydrophobicContact CG-CD2 4.03Å; P12-F109 HydrophobicContact CG-CE2 3.85Å; P12-F109 HydrophobicContact CG-CZ 4.41Å; L72-F109 HydrophobicContact CD1-CB 3.95Å; L72-F109 HydrophobicContact CD1-CD1 3.42Å; L72-F109 VanDerWaalsContact CD1-CD1 3.42Å; L72-F109 HydrophobicContact CD1-CD2 4.03Å; L72-F109 HydrophobicContact CD1-CE1 3.87Å; L72-F109 HydrophobicContact CD1-CE2 4.44Å; L72-F109 HydrophobicContact CD1-CG 3.5Å; L72-F109 HydrophobicContact CD1-CZ 4.36Å; L105-F109 WeakPolarHBondContact O-CB 3.45Å; L105-F109 PolarHBondContact O-N 3.44Å; N106-F109 WeakPolarHBondContact O-CB 3.44Å; N106-F109 PolarHBondContact O-N 3.48Å; D107-F109 VanDerWaalsContact C-N 3.35Å; F109-F142 HydrophobicContact CB-CD2 4.29Å; F109-F142 HydrophobicContact CB-CE1 4.35Å; F109-F142 HydrophobicContact CB-CE2 3.75Å; F109-F142 HydrophobicContact CB-CZ 3.79Å; F109-F142 HydrophobicContact CD2-CD1 4.45Å; F109-F142 AromaticContact CD2-CD2 4Å; F109-F142 HydrophobicContact CD2-CD2 4Å; F109-F142 HydrophobicContact CD2-CE2 4.32Å; F109-F142 HydrophobicContact CD2-CG 4.08Å
110E83.3Confident88.5Confident147 Ų14769.5 Ų69.569%0.68733%0.326SS*.Hα-helixtrans-76.5-37177.2-67.2-169.8170.100112.3N106 K112N106-E110 PolarHBondContact O-N 2.85Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.93Å
111D84.1Confident88.5Confident75 Ų7572 Ų7240%0.40135%0.346SS..  trans-75.280.1173-1742.6000112.2D107 Q113 R114D107-D111 PolarHBondContact O-N 2.81Å; D111-Q113 PolarHBondContact O-N 3.23Å; D111-Q113 PolarHBondContact OD1-N 3.19Å; D111-Q113 VanDerWaalsContact OD1-N 3.1Å; D111-R114 HydrophobicContact CB-CB 4.16Å; D111-R114 VanDerWaalsContact O-CB 3.24Å; D111-R114 WeakPolarHBondContact O-CB 3.43Å; D111-R114 PolarHBondContact O-N 2.74Å; D111-R114 PolarHBondContact OD1-N 3.18Å; D111-R114 WeakPolarHBondContact OD2-CB 3.42Å
112K75.6Confident88.5Confident179 Ų17971.6 Ų71.678%0.77834%0.343SS*.THydrogen-bonded Turntrans-68-11.2175.9-64.8-175.2179.3-176.80114.7E110E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.93Å
113Q74.1Confident88.4Confident180 Ų18074.4 Ų74.484%0.84135%0.348SS*.THydrogen-bonded Turntrans-95.1-10177.5-62.6-61.2-25.600112D111D111-Q113 PolarHBondContact O-N 3.23Å; D111-Q113 PolarHBondContact OD1-N 3.19Å; D111-Q113 VanDerWaalsContact OD1-N 3.1Å
114R80.2Confident88.2Confident80 Ų8074.7 Ų74.730%0.30235%0.351SS..SBendtrans-57.3143.5175.8-154.4177.1175.3131.810.1112.4D111 K116 E118D111-R114 HydrophobicContact CB-CB 4.16Å; D111-R114 VanDerWaalsContact O-CB 3.24Å; D111-R114 WeakPolarHBondContact O-CB 3.43Å; D111-R114 PolarHBondContact O-N 2.74Å; D111-R114 PolarHBondContact OD1-N 3.18Å; D111-R114 WeakPolarHBondContact OD2-CB 3.42Å; R114-K116 PolarHBondContact O-N 3.25Å; R114-E118 IonicContact CZ-OE2 2.78Å; R114-E118 IonicContact NE-OE2 2.59Å; R114-E118 PolarHBondContact NE-OE2 2.84Å; R114-E118 IonicContact NH2-OE2 3.17Å; R114-E118 PolarHBondContact NH2-OE2 2.99Å
115R82.6Confident87.8Confident175 Ų17578 Ų7866%0.6636%0.363SS*.  trans-69.3132165.5-62.2173.7-62.3-164.7-2.2108.9T117 E118R115-T117 PolarHBondContact O-N 3.29Å; R115-E118 HydrophobicContact CB-CG 3.9Å; R115-E118 IonicContact CZ-OE1 2.75Å; R115-E118 VanDerWaalsContact CZ-OE1 3.25Å; R115-E118 IonicContact NE-OE1 2.77Å; R115-E118 PolarHBondContact NE-OE1 2.95Å; R115-E118 IonicContact NH2-OE1 2.86Å; R115-E118 PolarHBondContact NH2-OE1 2.76Å; R115-E118 WeakPolarHBondContact O-CG 3.23Å
116K87.3Confident87Confident127 Ų12785.9 Ų85.955%0.55240%0.4SS*.SBendtrans-58.2-30175-63.3-177.8177-178.90113.5R114 N139 I140R114-K116 PolarHBondContact O-N 3.25Å; K116-N139 CarbonylContact O-C 3.58Å; K116-N139 VanDerWaalsContact O-CA 3.23Å; K116-N139 WeakPolarHBondContact O-CA 3.29Å; K116-I140 PolarHBondContact O-N 2.92Å
117T95.5Very high86.1Confident49 Ų4988.8 Ų88.830%0.30144%0.436SS..EExtended strand (participates in β ladder)trans-115.1114-177.4-50.40000111.4L20 R115 K137 V138 N139L20-T117 HydrophobicContact CD1-CG2 3.42Å; L20-T117 VanDerWaalsContact CD1-CG2 3.42Å; R115-T117 PolarHBondContact O-N 3.29Å; T117-K137 HydrophobicContact CG2-CD 4.46Å; T117-K137 HydrophobicContact CG2-CG 4.23Å; T117-V138 WeakPolarHBondContact CA-O 3.47Å; T117-N139 PolarHBondContact OG1-ND2 2.87Å
118E95.1Very high85.4Confident31 Ų3191.9 Ų91.915%0.14545%0.446CS..EExtended strand (participates in β ladder)trans-141.3169.3-177.6-65.2-160.813200113.8R114 R115 F120 K137 V138R114-E118 IonicContact CZ-OE2 2.78Å; R114-E118 IonicContact NE-OE2 2.59Å; R114-E118 PolarHBondContact NE-OE2 2.84Å; R114-E118 IonicContact NH2-OE2 3.17Å; R114-E118 PolarHBondContact NH2-OE2 2.99Å; R115-E118 HydrophobicContact CB-CG 3.9Å; R115-E118 IonicContact CZ-OE1 2.75Å; R115-E118 VanDerWaalsContact CZ-OE1 3.25Å; R115-E118 IonicContact NE-OE1 2.77Å; R115-E118 PolarHBondContact NE-OE1 2.95Å; R115-E118 IonicContact NH2-OE1 2.86Å; R115-E118 PolarHBondContact NH2-OE1 2.76Å; R115-E118 WeakPolarHBondContact O-CG 3.23Å; E118-F120 HydrophobicContact CB-CE2 4.35Å; E118-K137 CarbonylContact O-C 3.52Å; E118-K137 VanDerWaalsContact O-CA 3.29Å; E118-K137 WeakPolarHBondContact O-CA 3.29Å; E118-V138 PolarHBondContact N-O 2.88Å; E118-V138 PolarHBondContact O-N 3.45Å
119W97.1Very high84.4Confident87 Ų87100.9 Ų100.933%0.3348%0.478SS..EExtended strand (participates in β ladder)trans-93.3137.8171.6-71.2103.7000110.1Q21 K23 E135 I136 K137Q21-W119 HydrophobicContact CG-CH2 3.88Å; Q21-W119 HydrophobicContact CG-CZ3 4.44Å; Q21-W119 VanDerWaalsContact NE2-CH2 3.26Å; Q21-W119 VanDerWaalsContact NE2-CZ2 3.25Å; K23-W119 HydrophobicContact CB-CH2 4Å; K23-W119 HydrophobicContact CB-CZ3 4.19Å; K23-W119 HydrophobicContact CD-CE3 4.46Å; K23-W119 HydrophobicContact CD-CH2 3.4Å; K23-W119 HydrophobicContact CD-CZ2 3.71Å; K23-W119 HydrophobicContact CD-CZ3 3.83Å; K23-W119 VanDerWaalsContact CE-CZ2 3.49Å; K23-W119 HydrophobicContact CG-CE3 4.36Å; K23-W119 HydrophobicContact CG-CH2 3.59Å; K23-W119 HydrophobicContact CG-CZ2 4.39Å; K23-W119 HydrophobicContact CG-CZ3 3.58Å; W119-E135 HydrophobicContact CE3-CB 3.77Å; W119-E135 HydrophobicContact CZ3-CB 4.3Å; W119-I136 CarbonylContact C-O 3.42Å; W119-I136 WeakPolarHBondContact CA-O 3.39Å; W119-K137 HydrophobicContact CD2-CB 3.76Å; W119-K137 HydrophobicContact CD2-CD 4.46Å; W119-K137 HydrophobicContact CD2-CG 4.05Å; W119-K137 HydrophobicContact CE3-CB 3.62Å; W119-K137 HydrophobicContact CE3-CG 4.42Å; W119-K137 HydrophobicContact CG-CG 4.41Å; W119-K137 HydrophobicContact CH2-CB 3.95Å; W119-K137 HydrophobicContact CZ2-CB 4.09Å; W119-K137 HydrophobicContact CZ2-CD 4.02Å; W119-K137 HydrophobicContact CZ2-CG 4.4Å; W119-K137 HydrophobicContact CZ3-CB 3.71Å
120F95.7Very high83.7Confident23 Ų23105.6 Ų105.610%0.10151%0.509CS..EExtended strand (participates in β ladder)trans-123.1124.5174.9-62.6-97.5000108.4V101 V103 E118 E135 I136 V138 I140V101-F120 HydrophobicContact CB-CB 4.48Å; V101-F120 HydrophobicContact CG1-CB 3.96Å; V101-F120 HydrophobicContact CG2-CB 4.22Å; V101-F120 HydrophobicContact CG2-CD1 4.48Å; V103-F120 HydrophobicContact CG1-CE1 3.95Å; V103-F120 HydrophobicContact CG1-CZ 4.43Å; V103-F120 HydrophobicContact CG2-CD1 3.79Å; V103-F120 HydrophobicContact CG2-CE1 3.74Å; V103-F120 HydrophobicContact CG2-CZ 4.46Å; E118-F120 HydrophobicContact CB-CE2 4.35Å; F120-E135 CarbonylContact O-C 3.6Å; F120-E135 WeakPolarHBondContact O-CA 3.37Å; F120-I136 HydrophobicContact CB-CG2 4.06Å; F120-I136 PolarHBondContact N-O 2.87Å; F120-I136 PolarHBondContact O-N 3.05Å; F120-V138 HydrophobicContact CD2-CB 4.32Å; F120-V138 HydrophobicContact CE2-CB 4.18Å; F120-I140 HydrophobicContact CZ-CD1 4.09Å
121S96.1Very high83.6Confident75 Ų75104.7 Ų104.752%0.52450%0.503SS..EExtended strand (participates in β ladder)trans-72.3140.2179.1-41.60000110.8E135S121-E135 PolarHBondContact OG-OE1 2.59Å
122L95.8Very high83.6Confident8 Ų8107.6 Ų107.64%0.04252%0.519CS..PPolyproline II helixtrans-90.8125.3-174-66.6170.6000111.8L25 V86 V101 R133 G134 I136L25-L122 HydrophobicContact CD2-CD1 3.44Å; L25-L122 VanDerWaalsContact CD2-CD1 3.44Å; V86-L122 HydrophobicContact CB-CD1 4.4Å; V86-L122 HydrophobicContact CG2-CD1 3.84Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; V101-L122 HydrophobicContact CG1-CD2 4.45Å; L122-R133 HydrophobicContact CB-CB 4.11Å; L122-G134 WeakPolarHBondContact CB-O 3.46Å; L122-G134 PolarHBondContact N-O 2.83Å; L122-I136 HydrophobicContact CD2-CB 4.15Å; L122-I136 HydrophobicContact CD2-CG2 3.77Å; L122-I136 HydrophobicContact CG-CB 4.46Å; L122-I136 HydrophobicContact CG-CG2 4.4Å
123E92.3Very high84.4Confident107 Ų107100.9 Ų100.950%0.549%0.489SS..BIsolated β-bridgetrans-92.3171179.3-56.7-162.1134.100113.2G99 Q100 R133G99-E123 WeakPolarHBondContact CA-O 3.36Å; Q100-E123 PolarHBondContact N-O 3.49Å; Q100-E123 WeakPolarHBondContact O-CA 3.29Å; Q100-E123 WeakPolarHBondContact O-CB 3.39Å; Q100-E123 PolarHBondContact O-N 3.29Å; E123-R133 WeakPolarHBondContact O-CD 3.26Å
124S89.3Confident85.4Confident14 Ų1492.5 Ų92.510%0.09845%0.45CS..PPolyproline II helixtrans-82157.9164.4-168.70000110.7Q126 R133S124-Q126 PolarHBondContact O-N 2.93Å; S124-R133 PolarHBondContact OG-NH2 2.93Å
125K82.3Confident86.2Confident113 Ų11391 Ų9149%0.49145%0.447SS..SBendtrans-48.9138.9163.9-59.5-158.7172.7-166.90110.1F97F97-K125 HydrophobicContact CD1-CG 4.08Å; F97-K125 HydrophobicContact CD2-CD 4.4Å; F97-K125 VanDerWaalsContact CD2-CE 3.45Å; F97-K125 HydrophobicContact CD2-CG 4.06Å; F97-K125 HydrophobicContact CE1-CG 3.74Å; F97-K125 HydrophobicContact CE2-CD 4.41Å; F97-K125 HydrophobicContact CE2-CG 3.68Å; F97-K125 HydrophobicContact CG-CG 4.23Å; F97-K125 HydrophobicContact CZ-CB 4.47Å; F97-K125 HydrophobicContact CZ-CG 3.52Å
126Q72.9Confident87Confident165 Ų16582.7 Ų82.777%0.77142%0.416SS*.THydrogen-bonded Turntrans-45.6148.1-178.4-70.2172.5-23.500112.9S124S124-Q126 PolarHBondContact O-N 2.93Å
127G67.6Low87.5Confident90 Ų9079.8 Ų79.893%0.92840%0.403SS*.THydrogen-bonded Turntrans75.615.5-178.500000115.1
128K72.4Confident87.6Confident157 Ų15777.4 Ų77.468%0.68339%0.389SS*.SBendtrans-127.3143.7174.3-60.5-165.1178.4-1670110.8T130K128-T130 PolarHBondContact O-N 3.3Å
129R67.6Low87.7Confident209 Ų20977.2 Ų77.279%0.78939%0.389SS*.  trans-47.2131.5-179.2-51.4-154.6-52.4-137.411.1110.8K131R129-K131 PolarHBondContact O-N 3.29Å
130T71.4Confident87.6Confident126 Ų12673.5 Ų73.577%0.77338%0.375SS*.  trans-51.4131.8172.8-41.70000109.5K128K128-T130 PolarHBondContact O-N 3.3Å
131K80.5Confident87.5Confident128 Ų12875.1 Ų75.156%0.55738%0.383SS*.  trans-147.8131.9-179.5-74.2-178.5-177.8-174.20107.3R129 R133R129-K131 PolarHBondContact O-N 3.29Å; K131-R133 PolarHBondContact O-N 2.99Å
132D85.2Confident87.2Confident137 Ų13773.2 Ų73.273%0.73337%0.365SS*.  trans-55.3134.3168.2-177.815.6000110.5G134D132-G134 PolarHBondContact OD1-N 2.82Å
133R92.3Very high86.8Confident37 Ų3775.6 Ų75.614%0.1438%0.377CS..  trans-139.110.3-177.7-74.2167.7170.7-87.212.1111.6L25 F97 L98 L122 E123 S124 K131L25-R133 WeakPolarHBondContact CD2-O 3.29Å; F97-R133 PolarHBondContact O-NH1 3.37Å; F97-R133 VanDerWaalsContact O-NH1 3.16Å; L98-R133 WeakPolarHBondContact O-CB 3.35Å; L98-R133 VanDerWaalsContact O-CD 3.26Å; L98-R133 WeakPolarHBondContact O-CD 3.48Å; L98-R133 WeakPolarHBondContact O-CG 3.3Å; L98-R133 PolarHBondContact O-NH1 2.91Å; L122-R133 HydrophobicContact CB-CB 4.11Å; E123-R133 WeakPolarHBondContact O-CD 3.26Å; S124-R133 PolarHBondContact OG-NH2 2.93Å; K131-R133 PolarHBondContact O-N 2.99Å
134G95.1Very high86.2Confident4 Ų475 Ų754%0.04137%0.37CS..  trans89.6-169.5-172.500000113.4K23 G24 L122 D132K23-G134 CarbonylContact O-C 3.6Å; K23-G134 WeakPolarHBondContact O-CA 3.46Å; G24-G134 WeakPolarHBondContact O-CA 3.42Å; G24-G134 PolarHBondContact O-N 3.2Å; L122-G134 WeakPolarHBondContact CB-O 3.46Å; L122-G134 PolarHBondContact N-O 2.83Å; D132-G134 PolarHBondContact OD1-N 2.82Å
135E97.3Very high85.2Confident50 Ų5076.7 Ų76.723%0.23438%0.378CS..EExtended strand (participates in β ladder)trans-135.8151.6-174.9-50.4-167.9103.800111.2A22 K23 W119 F120 S121A22-E135 CarbonylContact C-O 3.54Å; A22-E135 WeakPolarHBondContact CA-O 3.42Å; A22-E135 VanDerWaalsContact CB-O 3.28Å; A22-E135 WeakPolarHBondContact CB-O 3.4Å; K23-E135 WeakPolarHBondContact CE-OE2 3.46Å; K23-E135 HydrophobicContact CG-CB 4.49Å; K23-E135 PolarHBondContact N-O 3.35Å; K23-E135 IonicContact NZ-OE2 3.4Å; K23-E135 PolarHBondContact NZ-OE2 2.93Å; K23-E135 PolarHBondContact O-N 2.89Å; W119-E135 HydrophobicContact CE3-CB 3.77Å; W119-E135 HydrophobicContact CZ3-CB 4.3Å; F120-E135 CarbonylContact O-C 3.6Å; F120-E135 WeakPolarHBondContact O-CA 3.37Å; S121-E135 PolarHBondContact OG-OE1 2.59Å
136I97.9Very high84.2Confident0 Ų077.7 Ų77.70%039%0.389CS..EExtended strand (participates in β ladder)trans-117132.9176.6-167.2173.5000110.8V19 A22 T38 V86 V101 W119 F120 L122 V138V19-I136 HydrophobicContact CG1-CD1 3.92Å; V19-I136 HydrophobicContact CG1-CG1 4.39Å; A22-I136 HydrophobicContact CB-CB 4.34Å; A22-I136 HydrophobicContact CB-CG1 4.3Å; T38-I136 HydrophobicContact CG2-CD1 3.82Å; V86-I136 HydrophobicContact CG2-CD1 3.99Å; V101-I136 HydrophobicContact CG1-CG2 4.05Å; W119-I136 CarbonylContact C-O 3.42Å; W119-I136 WeakPolarHBondContact CA-O 3.39Å; F120-I136 HydrophobicContact CB-CG2 4.06Å; F120-I136 PolarHBondContact N-O 2.87Å; F120-I136 PolarHBondContact O-N 3.05Å; L122-I136 HydrophobicContact CD2-CB 4.15Å; L122-I136 HydrophobicContact CD2-CG2 3.77Å; L122-I136 HydrophobicContact CG-CB 4.46Å; L122-I136 HydrophobicContact CG-CG2 4.4Å; I136-V138 HydrophobicContact CD1-CG2 4.17Å; I136-V138 HydrophobicContact CG1-CG2 3.9Å; I136-V138 HydrophobicContact CG2-CG2 4.27Å
137K98.2Very high83.3Confident65 Ų6577.5 Ų77.528%0.28339%0.39SS..EExtended strand (participates in β ladder)trans-98.1120.5176.9-162.8-176.7-179.7-179.60109.8L20 Q21 T117 E118 W119L20-K137 HydrophobicContact CB-CB 4.46Å; L20-K137 WeakPolarHBondContact CB-O 3.35Å; L20-K137 HydrophobicContact CD1-CD 4.16Å; L20-K137 HydrophobicContact CD1-CG 4.24Å; L20-K137 PolarHBondContact N-O 2.91Å; Q21-K137 HydrophobicContact CG-CB 3.82Å; Q21-K137 HydrophobicContact CG-CD 4.3Å; Q21-K137 PolarHBondContact O-N 3Å; T117-K137 HydrophobicContact CG2-CD 4.46Å; T117-K137 HydrophobicContact CG2-CG 4.23Å; E118-K137 CarbonylContact O-C 3.52Å; E118-K137 VanDerWaalsContact O-CA 3.29Å; E118-K137 WeakPolarHBondContact O-CA 3.29Å; W119-K137 HydrophobicContact CD2-CB 3.76Å; W119-K137 HydrophobicContact CD2-CD 4.46Å; W119-K137 HydrophobicContact CD2-CG 4.05Å; W119-K137 HydrophobicContact CE3-CB 3.62Å; W119-K137 HydrophobicContact CE3-CG 4.42Å; W119-K137 HydrophobicContact CG-CG 4.41Å; W119-K137 HydrophobicContact CH2-CB 3.95Å; W119-K137 HydrophobicContact CZ2-CB 4.09Å; W119-K137 HydrophobicContact CZ2-CD 4.02Å; W119-K137 HydrophobicContact CZ2-CG 4.4Å; W119-K137 HydrophobicContact CZ3-CB 3.71Å
138V97.9Very high82.6Confident0 Ų075.7 Ų75.70%036%0.361CS..EExtended strand (participates in β ladder)trans-134.3140.4-173.8-177.10000110.1V17 T18 V19 L84 T117 E118 F120 I136 I140V17-V138 HydrophobicContact CG1-CG1 3.69Å; T18-V138 CarbonylContact O-C 3.49Å; T18-V138 WeakPolarHBondContact O-CA 3.31Å; V19-V138 HydrophobicContact CG2-CG1 4.48Å; V19-V138 HydrophobicContact CG2-CG2 4.14Å; L84-V138 HydrophobicContact CD1-CB 4.48Å; L84-V138 HydrophobicContact CD1-CG1 4.39Å; L84-V138 HydrophobicContact CD1-CG2 3.82Å; L84-V138 HydrophobicContact CD2-CG2 4.45Å; T117-V138 WeakPolarHBondContact CA-O 3.47Å; E118-V138 PolarHBondContact N-O 2.88Å; E118-V138 PolarHBondContact O-N 3.45Å; F120-V138 HydrophobicContact CD2-CB 4.32Å; F120-V138 HydrophobicContact CE2-CB 4.18Å; I136-V138 HydrophobicContact CD1-CG2 4.17Å; I136-V138 HydrophobicContact CG1-CG2 3.9Å; I136-V138 HydrophobicContact CG2-CG2 4.27Å; V138-I140 HydrophobicContact CG1-CG1 4.06Å
139N96.6Very high81.3Confident27 Ų2770 Ų7014%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-94.1132.6161.9-174.1-69.8000109.3V17 T18 K116 T117V17-N139 WeakPolarHBondContact CA-O 3.1Å; T18-N139 PolarHBondContact N-O 2.85Å; T18-N139 PolarHBondContact O-N 3Å; K116-N139 CarbonylContact O-C 3.58Å; K116-N139 VanDerWaalsContact O-CA 3.23Å; K116-N139 WeakPolarHBondContact O-CA 3.29Å; T117-N139 PolarHBondContact OG1-ND2 2.87Å
140I95.4Very high80.6Confident8 Ų863.6 Ų63.64%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-120.5119.2170.8-55.6177.7000107.4V15 L82 V103 L105 I108 K116 F120 V138 F142V15-I140 HydrophobicContact CG2-CG2 3.72Å; L82-I140 HydrophobicContact CD2-CD1 3.92Å; L82-I140 HydrophobicContact CD2-CG1 4.37Å; V103-I140 HydrophobicContact CG1-CD1 3.99Å; L105-I140 HydrophobicContact CD2-CD1 4.4Å; L105-I140 HydrophobicContact CD2-CG2 3.92Å; I108-I140 HydrophobicContact CG1-CD1 4.46Å; I108-I140 HydrophobicContact CG2-CB 4.38Å; I108-I140 HydrophobicContact CG2-CG2 4.2Å; K116-I140 PolarHBondContact O-N 2.92Å; F120-I140 HydrophobicContact CZ-CD1 4.09Å; V138-I140 HydrophobicContact CG1-CG1 4.06Å; I140-F142 HydrophobicContact CG2-CE2 4.48Å; I140-F142 HydrophobicContact CG2-CZ 4.46Å
141Q92.8Very high79.4Confident57 Ų5764.2 Ų64.227%0.26633%0.326SS..EExtended strand (participates in β ladder)trans-127.6122.8178.4173.8161.1-73.400111Q16 M143Q16-Q141 HydrophobicContact CB-CB 4.26Å; Q16-Q141 WeakPolarHBondContact CB-O 3.25Å; Q16-Q141 PolarHBondContact N-O 2.81Å; Q16-Q141 PolarHBondContact O-N 2.82Å; Q16-Q141 VanDerWaalsContact OE1-NE2 3.07Å; Q141-M143 HydrophobicContact CG-CG 4.46Å
142F90.1Very high78Confident35 Ų3565.3 Ų65.315%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-78.7140.3171.9-67.4-72.4000111.2W10 P12 V15 L68 L105 I108 F109 I140W10-F142 HydrophobicContact CH2-CB 4.04Å; W10-F142 HydrophobicContact CZ3-CB 4.15Å; P12-F142 HydrophobicContact CB-CB 3.84Å; P12-F142 HydrophobicContact CB-CD1 4.09Å; P12-F142 HydrophobicContact CB-CG 4.37Å; P12-F142 HydrophobicContact CG-CB 4.2Å; P12-F142 HydrophobicContact CG-CD1 3.84Å; P12-F142 HydrophobicContact CG-CG 4.26Å; V15-F142 HydrophobicContact CB-CD1 4.25Å; V15-F142 HydrophobicContact CB-CE1 4.27Å; V15-F142 HydrophobicContact CG2-CD1 4.14Å; V15-F142 HydrophobicContact CG2-CE1 3.99Å; L68-F142 HydrophobicContact CD1-CD1 4.25Å; L105-F142 HydrophobicContact CB-CE1 4.25Å; L105-F142 HydrophobicContact CB-CZ 4.08Å; L105-F142 HydrophobicContact CD2-CZ 4.24Å; L105-F142 VanDerWaalsContact O-CZ 3.31Å; L105-F142 WeakPolarHBondContact O-CZ 3.38Å; I108-F142 HydrophobicContact CB-CE2 4.03Å; I108-F142 HydrophobicContact CB-CZ 4.18Å; I108-F142 HydrophobicContact CG2-CE2 3.97Å; I108-F142 HydrophobicContact CG2-CZ 4.49Å; F109-F142 HydrophobicContact CB-CD2 4.29Å; F109-F142 HydrophobicContact CB-CE1 4.35Å; F109-F142 HydrophobicContact CB-CE2 3.75Å; F109-F142 HydrophobicContact CB-CZ 3.79Å; F109-F142 HydrophobicContact CD2-CD1 4.45Å; F109-F142 AromaticContact CD2-CD2 4Å; F109-F142 HydrophobicContact CD2-CD2 4Å; F109-F142 HydrophobicContact CD2-CE2 4.32Å; F109-F142 HydrophobicContact CD2-CG 4.08Å; I140-F142 HydrophobicContact CG2-CE2 4.48Å; I140-F142 HydrophobicContact CG2-CZ 4.46Å
143M87.3Confident76.5Confident59 Ų5965.2 Ų65.229%0.29133%0.33SS..EExtended strand (participates in β ladder)trans-133155.6179.9-61.9-166.6-60.600111.3P12 T13 H14 Q16 Q141P12-M143 CarbonylContact C-O 3.54Å; P12-M143 VanDerWaalsContact CA-O 3.22Å; P12-M143 WeakPolarHBondContact CA-O 3.08Å; P12-M143 VanDerWaalsContact CB-O 3.26Å; P12-M143 WeakPolarHBondContact CB-O 3.4Å; T13-M143 PolarHBondContact N-O 2.88Å; H14-M143 HydrophobicContact CB-CB 4.19Å; H14-M143 HydrophobicContact CB-CE 4.12Å; H14-M143 PolarHBondContact N-O 3.05Å; H14-M143 PolarHBondContact O-N 2.91Å; Q16-M143 HydrophobicContact CB-CE 4Å; Q16-M143 HydrophobicContact CB-CG 4.48Å; Q16-M143 HydrophobicContact CB-SD 4.27Å; Q16-M143 PolarHBondContact OE1-SD 2.97Å; Q141-M143 HydrophobicContact CG-CG 4.46Å
144R80.1Confident74.4Confident94 Ų9469.6 Ų69.636%0.35536%0.356SS..  trans-127.9124170.5-172.5179.6-170.5156.1-0.3108.6W10 F11 T13W10-R144 HydrophobicContact CZ2-CB 3.6Å; F11-R144 VanDerWaalsContact O-CD 3.26Å; F11-R144 WeakPolarHBondContact O-CD 3.29Å; T13-R144 HydrophobicContact CG2-CG 4.33Å
145N68.6Low72.1Confident50 Ų5073.8 Ų73.827%0.26739%0.385SS..  trans-80.8115.1173.757.1-17000110.3T13 H14 M147 T148T13-N145 WeakPolarHBondContact CB-OD1 3.32Å; T13-N145 PolarHBondContact OG1-N 2.87Å; T13-N145 VanDerWaalsContact OG1-N 3.15Å; T13-N145 PolarHBondContact OG1-OD1 3.47Å; H14-N145 PolarHBondContact CE1-ND2 3.45Å; N145-M147 PolarHBondContact O-N 3.49Å; N145-T148 WeakPolarHBondContact ND2-CG2 3.35Å; N145-T148 PolarHBondContact O-N 3.19Å; N145-T148 PolarHBondContact O-OG1 3.2Å; N145-T148 PolarHBondContact OD1-OG1 2.57Å
146N60.4Low69.8Low133 Ų13377 Ų7771%0.71140%0.401SS*.Hα-helixtrans-66-21.7-175.6-70.3-6.1000113.5S150N146-S150 PolarHBondContact O-N 3.46Å
147M54.4Low67.6Low161 Ų16184.8 Ų84.879%0.79344%0.435SS*.Hα-helixtrans-67.6-38-179.7-70.1-144.774.100114.3N145N145-M147 PolarHBondContact O-N 3.49Å
148T53.4Low64.9Low52 Ų5287.3 Ų87.332%0.31945%0.452SS..Hα-helixtrans-79.2-31.8178.3540000111.7N145 S150 M151 F152N145-T148 WeakPolarHBondContact ND2-CG2 3.35Å; N145-T148 PolarHBondContact O-N 3.19Å; N145-T148 PolarHBondContact O-OG1 3.2Å; N145-T148 PolarHBondContact OD1-OG1 2.57Å; T148-S150 VanDerWaalsContact C-N 3.26Å; T148-S150 PolarHBondContact O-N 3.32Å; T148-M151 PolarHBondContact O-N 3.21Å; T148-F152 PolarHBondContact O-N 3.15Å
149A45Very low62.5Low37 Ų3796.9 Ų96.931%0.30649%0.493SS..Hα-helixtrans-58.3-37.5177.200000112.6
150S52Low60.3Low75 Ų75101.8 Ų101.852%0.52452%0.524SS..Hα-helixtrans-73.6-41.6175.4-176.50000112.7N146 T148 L154N146-S150 PolarHBondContact O-N 3.46Å; T148-S150 VanDerWaalsContact C-N 3.26Å; T148-S150 PolarHBondContact O-N 3.32Å; S150-L154 WeakPolarHBondContact O-CG 3.45Å; S150-L154 PolarHBondContact O-N 2.83Å
151M46.9Very low58.1Low139 Ų139111 Ų11169%0.68556%0.564SS**Hα-helixtrans-73-32.5-177.2-80.6-94.9-73.400114.5T148 S155T148-M151 PolarHBondContact O-N 3.21Å; M151-S155 WeakPolarHBondContact O-CB 3.33Å; M151-S155 PolarHBondContact O-N 3.45Å
152F51.5Low56.1Low152 Ų152112.4 Ų112.467%0.66758%0.58SS**Hα-helixtrans-71.8-34.8-177.8-119.5-88.1000112.8T148 S155T148-F152 PolarHBondContact O-N 3.15Å; F152-S155 WeakPolarHBondContact O-CB 3.14Å; F152-S155 PolarHBondContact O-N 2.97Å
153D53.3Low54.4Low134 Ų134116.2 Ų116.272%0.71761%0.608SS**Hα-helixtrans-70.9-39176.7-151.430.3000110.8S155 M156D153-S155 VanDerWaalsContact C-N 3.32Å; D153-S155 PolarHBondContact O-N 2.88Å; D153-M156 PolarHBondContact O-N 3.3Å
154L48.1Very low52.6Low130 Ų130122 Ų12268%0.68163%0.632SS**Hα-helixtrans-75.5-13.6174.9-64.4174.1000114.5S150 M156S150-L154 WeakPolarHBondContact O-CG 3.45Å; S150-L154 PolarHBondContact O-N 2.83Å; L154-M156 VanDerWaalsContact C-N 3.31Å
155S47.5Very low51.3Low92 Ų92122.1 Ų122.164%0.64365%0.653SS**Hα-helixtrans-72.3-29.7175.1-168.50000111.8M151 F152 D153 K157M151-S155 WeakPolarHBondContact O-CB 3.33Å; M151-S155 PolarHBondContact O-N 3.45Å; F152-S155 WeakPolarHBondContact O-CB 3.14Å; F152-S155 PolarHBondContact O-N 2.97Å; D153-S155 VanDerWaalsContact C-N 3.32Å; D153-S155 PolarHBondContact O-N 2.88Å; S155-K157 PolarHBondContact O-N 3.03Å
156M48.9Very low50.5Low117 Ų117129.3 Ų129.358%0.57668%0.682SS**SBendtrans-88.785.4-179.8-62.5-67.3-174.600110.1D153 L154 F440D153-M156 PolarHBondContact O-N 3.3Å; L154-M156 VanDerWaalsContact C-N 3.31Å; M156-F440 HydrophobicContact SD-CZ 4Å
157K51.2Low50.3Low163 Ų163130.9 Ų130.971%0.70969%0.69SS**SBendtrans78.8134.2175-166.5179.6174.2-173.90112.9S155S155-K157 PolarHBondContact O-N 3.03Å
158D42.2Very low50.7Low119 Ų119132 Ų13264%0.63669%0.69SS**  cis-134.114917-122-41.5000113T160D158-T160 VanDerWaalsContact C-N 3.29Å; D158-T160 HydrophobicContact CB-CG2 4.25Å; D158-T160 PolarHBondContact O-N 3.43Å
159K46.9Very low50.8Low201 Ų201136.9 Ų136.987%0.87471%0.714SS**  trans-8468.2173.1-71.6179-179171.40110.9K161K159-K161 PolarHBondContact O-N 2.83Å
160T50.6Low51.3Low129 Ų129145.1 Ų145.179%0.79174%0.743SS**  trans-64.6120.4178.653.20000111.1D158D158-T160 VanDerWaalsContact C-N 3.29Å; D158-T160 HydrophobicContact CB-CG2 4.25Å; D158-T160 PolarHBondContact O-N 3.43Å
161K49.1Very low51.4Low202 Ų202150 Ų15088%0.87876%0.76SS**  trans-73.9152.8-178.1-63.8175.7-177.9174.30110.9K159K159-K161 PolarHBondContact O-N 2.83Å
162S49.9Very low51.5Low86 Ų86153.5 Ų153.560%0.60177%0.771SS**  trans-43.5139-179.61730000114.2F164S162-F164 PolarHBondContact O-N 3.47Å; S162-F164 VanDerWaalsContact O-N 3.1Å
163P55.7Low51.1Low115 Ų115149.9 Ų149.975%0.74778%0.777SS**THydrogen-bonded Turntrans-68.3-9.2-175.628.1-36.1000114.8A165P163-A165 PolarHBondContact O-N 3.45Å
164F48.2Very low50.6Low181 Ų181153.7 Ų153.779%0.79478%0.781SS**THydrogen-bonded Turntrans-877.8-171.5-80.1-79.5000116.1S162 K166S162-F164 PolarHBondContact O-N 3.47Å; S162-F164 VanDerWaalsContact O-N 3.1Å; F164-K166 PolarHBondContact O-N 3.25Å
165A53.1Low50.2Low96 Ų96155.7 Ų155.779%0.79378%0.784SS**  trans-7215.2-179.500000115.6P163P163-A165 PolarHBondContact O-N 3.45Å
166K52.9Low49.6Very low201 Ų201157.8 Ų157.887%0.87479%0.788SS**  trans-115.947-176.7-77.7-171.3175.4-177.40114.1F164F164-K166 PolarHBondContact O-N 3.25Å
167L56.3Low48.9Very low167 Ų167159.1 Ų159.187%0.87480%0.798SS**  trans-146.757.3167.7-163.263.5000114.2
168K61.8Low48Very low184 Ų184154.4 Ų154.480%0.880%0.796SS**  trans-158.876.7158.5-160.1-164.371.2177.90114.1
169D55.7Low47.6Very low154 Ų154154.1 Ų154.182%0.82480%0.798SS**  trans-163.8108.7135-110.6-25.5000112.9
170K55.4Low47.1Very low210 Ų210154 Ų15491%0.91380%0.798SS**  trans-179.856.2159.4-110178.6179.2-175.80112.2
171M55.2Low46.4Very low179 Ų179153.2 Ų153.288%0.88280%0.798SS**  trans-154.761.5171.2-159.957.6177.400115.4
172K49.1Very low45.7Very low212 Ų212150.3 Ų150.392%0.92279%0.792SS**  trans-159137.9162.5-144.785.7173.7-168.80110.9
173G41.9Very low45.3Very low76 Ų76152.5 Ų152.578%0.78480%0.802SS**  trans87.8100.5-179.500000113.2
174R42.5Very low44.4Very low214 Ų214151.9 Ų151.981%0.80880%0.8SS**  cis10995.19.6-164.9-171.9-166.3-113.29.4114.1
175K41.3Very low43.9Very low171 Ų171148.5 Ų148.574%0.74380%0.799SS**  trans74.3149.1163-62.8-180173-136.90115.1
176N34Very low43.2Very low137 Ų137148.2 Ų148.273%0.73380%0.797SS**  cis-135.1-174.433.9-150.564.6000116.3
177D33.9Very low42.4Very low145 Ų145146.6 Ų146.678%0.77580%0.796SS**  trans-64.5170.8-175.5-52.3-74.8000116
178G32.6Very low41.7Very low64 Ų64146.3 Ų146.366%0.6679%0.794SS**  trans-169.4-26.2175.700000122.6
179T34.3Very low40.7Very low113 Ų113142.7 Ų142.769%0.69379%0.789SS**  trans68.9148.2171.2-33.30000118.3
180F35.1Very low39.6Very low198 Ų198140.9 Ų140.987%0.86879%0.788SS**  trans67.3150.3174.4-44-71.3000116
181S37.5Very low38.5Very low113 Ų113136.9 Ų136.979%0.7978%0.782SS**  cis-144.3163.1-3.2-1690000111
182D33.8Very low37.5Very low141 Ų141136.2 Ų136.275%0.75478%0.776SS**  trans-68.3176.5176-77.6-70.2000115.9
183T40.5Very low37.1Very low132 Ų132133 Ų13381%0.8177%0.768SS**  trans86.9157.2158.173.30000119.2
184S37.1Very low37.4Very low102 Ų102134.4 Ų134.471%0.71376%0.764SS**  cis-177.3144.5-46.7-96.90000109.1
185S37.5Very low36.7Very low110 Ų110132 Ų13277%0.76977%0.767SS**  trans65146.9167.2-51.80000115.5
186A38.5Very low36.4Very low90 Ų90127.4 Ų127.474%0.74476%0.761SS**  cis75.293.125.800000115.3
187I36.3Very low36.4Very low167 Ų167126.4 Ų126.486%0.85676%0.764SS**  trans-164.6135153.8-97.5142.7000110.1
188I40.8Very low36.5Very low161 Ų161126.9 Ų126.983%0.82677%0.765SS**  trans-148.4125.8164-73.8-176.4000103.2
189P41.8Very low36.4Very low108 Ų108132 Ų13270%0.70177%0.772SS**  -160169.487.941.7-21.7000119.1
190S32.6Very low36.2Very low116 Ų116131.6 Ų131.681%0.81177%0.769SS**  trans65.7161.2152.8-87.10000118.6
191T32.5Very low36.2Very low126 Ų126132.6 Ų132.677%0.77377%0.769SS**  cis-123.1-176.4-6.338.30000108.8
192H34Very low35.8Very low164 Ų164131.7 Ų131.776%0.75976%0.762SS**  cis-163.7174.139.9-170.8-94.5000114
193L39.9Very low35.8Very low145 Ų145130.6 Ų130.676%0.75977%0.766SS**  trans-97.2-164.9-174-72.3165000112.4
194P49.4Very low35.3Very low106 Ų106131.6 Ų131.669%0.68876%0.761SS**  cis-130.6-173.8-46.732.4-14.4000113
195D28.1Very low35Very low163 Ų163132.6 Ų132.687%0.87276%0.763SS**  trans-142.5170.7131.7-154.5-6000110.1
196A35.1Very low34.7Very low75 Ų75133.7 Ų133.762%0.6276%0.756SS**  trans-131.1167-14300000119
197S32.6Very low34.4Very low115 Ų115135.5 Ų135.580%0.80476%0.757SS**  trans72.1154.3166.477.30000116.4
198I35.8Very low34Very low155 Ų155136.1 Ų136.180%0.79575%0.754SS**  cis-128.4164.818-70.6174.3000112.7
199E31.6Very low33.7Very low173 Ų173134.2 Ų134.281%0.80876%0.755SS**  trans-52.8174.3176.5-64.6-168.6144.500119.2
200V30.6Very low33.3Very low104 Ų104138.6 Ų138.663%0.6376%0.763SS**  cis-168.1175.5-19.6146.30000107.6
201Y33.7Very low34.3Very low219 Ų219138.1 Ų138.186%0.85976%0.757SS**  trans86.6138.6174.5-80.5-78.4000117.5
202S30.2Very low34.4Very low93 Ų93141.8 Ų141.865%0.6576%0.762SS**  163.6113.5-52.5-80.90000110.1
203S32.7Very low34.7Very low119 Ų119143.5 Ų143.583%0.83277%0.767SS**  trans174104.1160.5-78.10000105.5
204E30.1Very low35.1Very low152 Ų152141.5 Ų141.571%0.7176%0.763SS**  55.2123.251.3-155.1158-143.700111.6Q206E204-Q206 HydrophobicContact CG-CG 4.38Å; E204-Q206 PolarHBondContact OE1-NE2 3.08Å
205V32Very low34.3Very low124 Ų124144.9 Ų144.975%0.75277%0.767SS**  cis-129.8131.342.6-177.30000111
206Q31Very low34.7Very low132 Ų132143.5 Ų143.562%0.61776%0.759SS**  42.6154.797.8-39.3-156.139.200116.7E204E204-Q206 HydrophobicContact CG-CG 4.38Å; E204-Q206 PolarHBondContact OE1-NE2 3.08Å
207V31Very low34.9Very low128 Ų128148 Ų14878%0.77677%0.772SS**  cis-141.6161.725.6-176.80000112.2
208K29.4Very low34.9Very low181 Ų181145.6 Ų145.679%0.78777%0.765SS**  trans-85160.1-177.3-52.8136.8-179.7162.20113.7
209S32.8Very low35.2Very low121 Ų121144.6 Ų144.685%0.84677%0.769SS**  -153.3158.6127.665.10000113
210K35Very low35.4Very low200 Ų200145.2 Ų145.287%0.8777%0.772SS**  trans-140.7179.7-179-72.8-174.9179.7-179.50107.1
211P52.2Low35.7Very low105 Ų105151 Ų15168%0.68278%0.782SS**  -127.7-178.4-53.237.8-23.9000111
212K34.2Very low35.9Very low203 Ų203149 Ų14988%0.88379%0.785SS**  trans178.3155.4130.6-94.6150.6-171.5177.70112.7
213K41.1Very low36Very low201 Ų201150.5 Ų150.587%0.87480%0.796SS**  trans-126.9165.3167.8-90.9-174.3179.3-177.80106.3
214P48.3Very low36.1Very low103 Ų103150.4 Ų150.467%0.66980%0.795SS**  cis-121-152.128.144.5-28.6000112
215F32.7Very low36.2Very low176 Ų176147.5 Ų147.577%0.77280%0.797SS**  cis-155.3151.19.1-127.9-24.3000113.5
216L37Very low36.5Very low135 Ų135150.7 Ų150.771%0.70780%0.803SS**  trans48.4145.2145.1-85.2168.5000124.6
217L38.5Very low36.5Very low168 Ų168149.7 Ų149.788%0.8881%0.811SS**  trans82125156.8-70.4163.9000121.4
218G32.5Very low36.7Very low65 Ų65151.3 Ų151.367%0.6781%0.812SS**  trans106.3103.7142.300000118.3
219P42.7Very low37Very low135 Ų135146.3 Ų146.388%0.87780%0.8SS**  trans-82.2112.7162.432.2-29.8000110.6
220Q35.7Very low37.1Very low185 Ų185146.6 Ų146.686%0.86479%0.792SS**PPolyproline II helixtrans-74.1136173.2-78.8-69.62.800111.5
221R36.3Very low37.1Very low227 Ų227143.9 Ų143.986%0.85779%0.786SS**PPolyproline II helixtrans-84142.4164.9-89.8-173.2165.2-131.1-0.4109.3
222L38.4Very low36.2Very low176 Ų176145.1 Ų145.192%0.92179%0.792SS**PPolyproline II helixtrans-76.4149.6162.1-68.9176000110.7
223S31.8Very low36Very low125 Ų125139 Ų13987%0.87479%0.787SS**PPolyproline II helixtrans-81.7164-159-53.40000115.4
224S34.5Very low35.4Very low116 Ų116134.6 Ų134.681%0.81178%0.782SS**  trans-143.7113.5175.758.60000112.3
225A34.3Very low34.4Very low91 Ų91137.8 Ų137.875%0.75279%0.787SS**  trans-162.9143.6167.100000106.9
226H36.2Very low34.3Very low191 Ų191136.2 Ų136.288%0.88479%0.792SS**  cis68.889.28.2-6999.2000118.1
227S32.7Very low33.9Very low112 Ų112134.6 Ų134.678%0.78379%0.792SS**  trans-162.3143.1146.7-102.60000107
228M33.9Very low33.3Very low162 Ų162131.6 Ų131.680%0.79879%0.785SS**  cis72.3134.742-58.9-72.6-71.400113
229S36.8Very low33Very low75 Ų75135.3 Ų135.352%0.52479%0.785SS.*  cis-177.6-179.5-14.343.40000111.3
230D34.2Very low32.4Very low127 Ų127136.7 Ų136.768%0.67978%0.777SS**  trans92.5136.8143.5-60.1-34.8000122.5
231L35.7Very low32.1Very low144 Ų144132.2 Ų132.275%0.75477%0.772SS**  80.514769.1-54.6175.7000114.6
232T33.8Very low31.7Very low130 Ų130130.8 Ų130.880%0.79877%0.771SS**  cis-162.6152.92.1-1.30000114.3
233G28.1Very low31.2Very low76 Ų76127.9 Ų127.978%0.78477%0.766SS**  trans80.6176.9145.700000119.8
234S30Very low31.1Very low108 Ų108126.5 Ų126.576%0.75576%0.756SS**  cis-168.3170.6-15.370.30000113.3
235H27.7Very low31Very low169 Ų169127.1 Ų127.178%0.78276%0.756SS**  trans61.6132153.8-102.5-100.8000123.7
236V30.6Very low30.9Very low144 Ų144130.5 Ų130.587%0.87376%0.759SS**  -172.2-171.3111.3-84.90000110.3
237S27.7Very low30.6Very low101 Ų101124.3 Ų124.371%0.70675%0.747SS**  trans-155.8153.5-143.357.70000119.7
238S25.8Very low30.5Very low105 Ų105129.4 Ų129.473%0.73475%0.751SS**  trans89.6156.3142.9-142.40000122.3
239E26.5Very low30.3Very low143 Ų143125.3 Ų125.367%0.66874%0.738SS**  trans68.2149162.9-52.8-112120.800118.6
240K29.5Very low30Very low164 Ų164129 Ų12971%0.71375%0.747SS**  cis-168157.1-26.1-118.9-180-168.4143.90110.6
241A28.9Very low29.8Very low91 Ų91129.9 Ų129.975%0.75275%0.751SS**  trans65.6160.9150.100000120.6
242K29.5Very low29.7Very low196 Ų196131.8 Ų131.885%0.85275%0.753SS**  cis-169.7171.7-41.9-116.6177.6-178.9-178.30110.4
243S27.9Very low29.4Very low116 Ų116135.5 Ų135.581%0.81175%0.752SS**  trans71.2155.1164.776.90000118.2
244S28.2Very low29.4Very low96 Ų96141.8 Ų141.867%0.67175%0.753SS**  cis-168.7124.8-19.842.80000109.4
245T32.2Very low29.2Very low129 Ų129143.9 Ų143.979%0.79175%0.75SS**  94.3152.789.4-51.10000114.1
246I33.8Very low29.3Very low162 Ų162142 Ų14283%0.83175%0.746SS**  trans81.6128.8176.5-45.9179.5000114.9
247G28.2Very low29.2Very low61 Ų61141.3 Ų141.363%0.62973%0.733SS**  cis171.3172.3-9.600000114.7
248Y31.4Very low29.3Very low218 Ų218141.8 Ų141.886%0.85574%0.736SS**  trans47.4135.6155.3-65.8-79.7000121
249S29.3Very low29.7Very low77 Ų77145.8 Ų145.854%0.53874%0.741SS.*  cis166.3174.6-7.742.90000107.9
250H30.1Very low29.9Very low152 Ų152142.6 Ų142.670%0.70475%0.746SS**  trans87.995.6155.9-56-54.5000124.5
251L31.7Very low29.9Very low145 Ų145139.9 Ų139.976%0.75975%0.747SS**  72.6163.3113.7-67.4174.3000123.6
252F33.5Very low30.1Very low184 Ų184142.7 Ų142.781%0.80775%0.748SS**  trans77.2126.3179.4-63-87.2000116.9
253R26.3Very low30.4Very low208 Ų208139.9 Ų139.979%0.78574%0.743SS**  cis104.9128.69.2-174.1-176.6-90.3-102.64.4115.2
254R27.8Very low30.8Very low208 Ų208143 Ų14379%0.78575%0.745SS**  trans72.1137.2178.4-84.9-175.6-77.7-157.1-3.1114.2
255Q26.3Very low30.9Very low152 Ų152142.3 Ų142.371%0.7175%0.752SS**  cis70.5101.614.7-158.4-162.3-19.400115.5
256L30.1Very low30.8Very low131 Ų131139.9 Ų139.969%0.68675%0.753SS**  -160.4149.1105.6-126.489.7000113.4
257E27.9Very low30.7Very low129 Ų129137.5 Ų137.560%0.60375%0.75SS**  trans-0.4158.5155.6-71.2137.8-132.600123.9F259E257-F259 HydrophobicContact CB-CD2 4.48Å; E257-F259 HydrophobicContact CB-CE2 3.95Å
258S31.5Very low31Very low111 Ų111141.4 Ų141.478%0.77676%0.756SS**  trans-106.4134.2165.8710000112.3
259F32.5Very low31.3Very low189 Ų189141 Ų14183%0.82976%0.759SS**  trans-129.7154.4158.4-63.3-84000107.6E257E257-F259 HydrophobicContact CB-CD2 4.48Å; E257-F259 HydrophobicContact CB-CE2 3.95Å
260G31.5Very low31.6Very low75 Ų75142.6 Ų142.677%0.77377%0.77SS**  trans-141.7-145.6-170.500000113.5
261S30.1Very low32.6Very low107 Ų107141 Ų14175%0.74877%0.774SS**  trans93.1115177.2-161.80000116.8
262I32.4Very low32.7Very low150 Ų150140.8 Ų140.877%0.76977%0.768SS**  trans68.8150.2146.7-106.8155.7000116.3
263D35.9Very low33Very low137 Ų137143.3 Ų143.373%0.73377%0.772SS**  cis-142.5-168.428-142.5-19.4000115.5
264E36.6Very low33.6Very low183 Ų183142.9 Ų142.986%0.85577%0.771SS**  trans-62.9160.7-179.5-61.3-170.3100.400117.7
265G30.9Very low34Very low81 Ų81138.6 Ų138.684%0.83577%0.768SS**  122.3133.4127.900000120.4
266G30Very low34.7Very low78 Ų78138.8 Ų138.880%0.80477%0.773SS**  trans93.865.7131.700000121.9
267S30.4Very low35.1Very low111 Ų111136.7 Ų136.778%0.77677%0.769SS**  trans28.2156.8134.3-151.70000124.5
268L34.4Very low35.8Very low144 Ų144137 Ų13775%0.75478%0.78SS**  trans78.597.1161.5-51.2-178.6000120.1
269K38Very low35.9Very low209 Ų209138.4 Ų138.491%0.90978%0.779SS**  167.8138.9107.6-89.6155.9-172.1171.90113.4
270S35.7Very low36.2Very low111 Ų111135 Ų13578%0.77677%0.773SS**  trans-124.5162.1159.266.50000109.1
271P51.8Low36.3Very low119 Ų119135.9 Ų135.977%0.77377%0.767SS**  -151133.2122.133.6-14.9000117
272H33.5Very low36.6Very low139 Ų139139.3 Ų139.364%0.64477%0.769SS**  trans53.3109.2131.7-102.175.1000123.1R274H272-R274 PolarHBondContact NE2-NH1 3.42Å
273R40.5Very low36.5Very low238 Ų238137.3 Ų137.390%0.89876%0.764SS**  -161.9125.3108.3-101.6-175.8174.2-153.9-1.5107.6
274R37Very low36.3Very low198 Ų198137.3 Ų137.375%0.74776%0.764SS**  56.3121.469.1-84.8-167.4176.5123.41.7111.8H272H272-R274 PolarHBondContact NE2-NH1 3.42Å
275T36.2Very low36Very low119 Ų119135.6 Ų135.673%0.7376%0.756SS**  cis-141.5-172.315.860.30000110.4
276L41.5Very low36.2Very low156 Ų156138.7 Ų138.782%0.81775%0.752SS**  cis-151.7-151.513.4-134-153000113
277S38.2Very low36.1Very low86 Ų86141.6 Ų141.660%0.60175%0.749SS**  trans-94.3176.7-173.956.80000113.8
278V42.9Very low36.2Very low137 Ų137140.4 Ų140.483%0.8374%0.741SS**  cis-136.3166.124.9176.70000111.7
279D33.9Very low36.1Very low140 Ų140139.7 Ų139.775%0.74974%0.743SS**  trans-115.7-165.3-168.6-168.57.2000112.6
280T38Very low35.8Very low117 Ų117136 Ų13672%0.71874%0.738SS**  trans88.6123.9-177.370.30000114.2
281S35.4Very low35.6Very low93 Ų93137.9 Ų137.965%0.6574%0.739SS**  cis77.2139.635.897.70000113.2
282K35.6Very low34.7Very low180 Ų180139.8 Ų139.878%0.78374%0.738SS**  cis-168.9140.427.9-140.8166.6-178.5177.50112.8
283T30.8Very low34.6Very low108 Ų108138.6 Ų138.666%0.66374%0.741SS**  trans50.5147.314153.60000125.1
284N30.6Very low34.1Very low136 Ų136131.3 Ų131.373%0.72773%0.731SS**  trans79.3162.1152.4-66-11.5000119.5
285Q30.5Very low33.8Very low147 Ų147131.5 Ų131.569%0.68774%0.738SS**  cis177.5149.2-47.1-131.1-169.6109.500108.2
286L35.8Very low33.5Very low146 Ų146134.6 Ų134.676%0.76474%0.744SS**  trans66154.4163.4-59.9167.9000116.8
287D28.5Very low33.2Very low139 Ų139131.8 Ų131.874%0.74374%0.743SS**  cis-171.1173.7-25.1-167.48.5000108.6
288S31.9Very low33.1Very low87 Ų87136.5 Ų136.561%0.60876%0.755SS**  trans73.1119.6156.670.10000121.9
289T31.3Very low32.6Very low129 Ų129138 Ų13879%0.79176%0.759SS**  trans31.6150.3130.262.60000121.6
290V33.2Very low32.7Very low130 Ų130137.8 Ų137.879%0.78876%0.758SS**  cis-152.1171.742.4-178.50000111.2
291D30.4Very low33Very low151 Ų151137.5 Ų137.581%0.80776%0.758SS**  trans-40.7164159.7-84-61.4000115.4
292E32.7Very low33.1Very low159 Ų159141.8 Ų141.874%0.74377%0.765SS**  cis-163.1150.147.4-131.5-155.913700115
293T31.2Very low33.1Very low115 Ų115138.9 Ų138.971%0.70676%0.763SS**  trans64.6153.7149.659.70000125
294A31.7Very low33.3Very low84 Ų84140.9 Ų140.969%0.69477%0.769SS**  trans9390.2143.600000122.2
295F29.6Very low33.6Very low203 Ų203140.3 Ų140.389%0.8977%0.771SS**  72143.2129.7-82.5-82.7000124.6
296E30.4Very low33.7Very low183 Ų183138.5 Ų138.586%0.85577%0.774SS**  trans81.6146.1149.8-78.8-165.1135.400124.4
297A34.4Very low33.6Very low97 Ų97136.4 Ų136.480%0.80278%0.778SS**  trans65.9126.3159.900000120.7
298Q36.1Very low34.1Very low185 Ų185135.5 Ų135.586%0.86478%0.783SS**  trans-68154.4162.1-52.4168.8-76.700110.6
299N32.8Very low34.3Very low170 Ų170138.6 Ų138.691%0.90979%0.791SS**  trans-162.1153.9135-101.9-52.3000112.4
300D36.8Very low34.9Very low135 Ų135138.3 Ų138.372%0.72279%0.792SS**  trans-93.9125.3-168.6-169.6-2000111.5F302D300-F302 VanDerWaalsContact C-N 3.31Å; D300-F302 PolarHBondContact O-N 2.79Å
301P43.4Very low35Very low111 Ų111139.4 Ų139.472%0.72179%0.788SS**SBendtrans-83.541.9-162.934.7-39.8000116.1
302F36.7Very low35.3Very low182 Ų182142.2 Ų142.280%0.79879%0.793SS**  trans-141.276.4177.3-81.6-71.4000115.4D300D300-F302 VanDerWaalsContact C-N 3.31Å; D300-F302 PolarHBondContact O-N 2.79Å
303T36.1Very low35.4Very low120 Ų120143.7 Ų143.774%0.73680%0.798SS**  trans-142.4141.6157.457.50000113.2
304N35.4Very low35.7Very low149 Ų149142.8 Ų142.880%0.79780%0.802SS**  trans72.1140.9156.7-58.3-34.9000118.8
305V35.7Very low36.1Very low125 Ų125144.5 Ų144.576%0.75880%0.804SS**  cis-162173.8-12.8106.10000111.6
306S32.6Very low36.2Very low109 Ų109142.6 Ų142.676%0.76280%0.802SS**  trans80.9123.1171.377.40000116.5
307A35.3Very low36.5Very low102 Ų102139.4 Ų139.484%0.84380%0.798SS**  cis97.9100.55.200000118.3
308S38.1Very low36.8Very low120 Ų120146.6 Ų146.684%0.83980%0.804SS**  trans-148.2151.6153.658.40000110.5
309L37.1Very low36.8Very low151 Ų151147 Ų14779%0.79181%0.806SS**  trans-91.1176.6-169.2-111.271000112.5
310P43.1Very low37Very low124 Ų124148.9 Ų148.981%0.80581%0.806SS**  cis-133.5161.522.939.6-21.1000118.6
311Q34.8Very low37.1Very low153 Ų153149.7 Ų149.772%0.71581%0.81SS**  trans-91.1161172.9-60.8165.8-66.200112.6
312K38.2Very low36.8Very low209 Ų209149.9 Ų149.991%0.90981%0.811SS**  trans-136.2160153.3-71.8-167.6177.3-178.90110.3
313F34.8Very low36.7Very low190 Ų190150.6 Ų150.683%0.83381%0.814SS**  trans-104153.4-153.9-62.6-101.9000115.5
314A36.4Very low36.6Very low97 Ų97153.6 Ų153.680%0.80282%0.82SS**  trans-155.7139.8147.300000109.6
315T40.3Very low36.6Very low120 Ų120155 Ų15574%0.73682%0.822SS**  trans-149.7170.9-176.147.80000112.3
316L31.7Very low36.4Very low162 Ų162153.4 Ų153.485%0.84882%0.816SS**  trans82.9153.2172.3-54.1175.6000117.1
317P37.5Very low36.9Very low117 Ų117154 Ų15476%0.7682%0.818SS**  cis-129.1170.9-26.632.5-14.5000114.3
318R39.4Very low36.6Very low247 Ų247153.6 Ų153.693%0.93281%0.814SS**  trans-82.5150.2163-77.2172160157.5-8.6110.5
319Q36.9Very low36.1Very low195 Ų195154.4 Ų154.491%0.91181%0.814SS**  trans-130.6162.7158.4-89.2-163.7-23.200111.9
320K36.4Very low35.6Very low208 Ų208158.4 Ų158.490%0.90482%0.819SS**  trans-106.2176-176.7-75.9-176.3172.9-176.10111.6
321N38.9Very low35Very low153 Ų153158.5 Ų158.582%0.81881%0.813SS**  trans-59151.9177.7-67.5-7.2000113.6
322P37.9Very low34.9Very low114 Ų114158.4 Ų158.474%0.7481%0.812SS**  trans-103.835-175.442.3-38.2000114.4
323F33.6Very low34.4Very low197 Ų197154.6 Ų154.686%0.86480%0.802SS**  trans-120.586.3-178.5-78.2-73.9000111.5
324E35.5Very low34.2Very low183 Ų183152.2 Ų152.286%0.85580%0.797SS**  trans-154.6100.1173.2-158160.3-135.400109.1
325E33.4Very low33.8Very low179 Ų179152.4 Ų152.484%0.83679%0.792SS**  trans52.5147.2146.4-61.2-144.7-161.200123.2
326S32Very low33.3Very low91 Ų91154.6 Ų154.664%0.63680%0.798SS**  cis-151.7-134.6-16.8-81.90000109.8
327P43.8Very low33.1Very low123 Ų123156.1 Ų156.180%0.79980%0.798SS**  -130.1159.7-126.739-18.5000118.4
328A29.2Very low32.6Very low92 Ų92154.7 Ų154.776%0.7679%0.791SS**  trans164.9150.4155.600000109.3
329T26.6Very low32.1Very low137 Ų137152.1 Ų152.184%0.8479%0.787SS**  cis-153.2166.3-13.113.20000108.1
330W28.3Very low32.6Very low235 Ų235147.7 Ų147.789%0.8978%0.775SS**  trans-66.5169.5168.2-68.821.7000109.8
331D30.1Very low32.3Very low127 Ų127144.5 Ų144.568%0.67977%0.773SS**  -177.5-178.150.5-155.8-2.5000113.9
332Q31.9Very low31.8Very low150 Ų150144.7 Ų144.770%0.70177%0.769SS**  trans97.9120.2150-76169.34300123.2
333N27.8Very low31.5Very low129 Ų129144.9 Ų144.969%0.6976%0.762SS**  trans73.5119.9148.5-63.4-41.6000120
334I30.1Very low31.3Very low141 Ų141144.3 Ų144.372%0.72376%0.759SS**  cis101.6123.427.5-67.1-78.4000113.1
335S29.1Very low31.2Very low101 Ų101144.9 Ų144.971%0.70676%0.759SS**  trans68.4147.6166.9-66.10000116.6
336L28.6Very low31Very low165 Ų165145.7 Ų145.786%0.86476%0.763SS**  cis-136.6157.329.8-75.9160.7000114.9
337F27.7Very low30.9Very low194 Ų194148.3 Ų148.385%0.85177%0.768SS**  trans-74.2169.9161.7-70.9-107.4000110.1
338S27.6Very low30.1Very low88 Ų88150.9 Ų150.962%0.61577%0.767SS**  cis-167.1149.918.4-141.50000112.1
339K29.7Very low30.2Very low192 Ų192155.9 Ų155.984%0.83577%0.771SS**  trans35.9164.9135.8-71.8-177179179.60123.1
340P46.5Very low30.4Very low103 Ų103158.2 Ų158.267%0.66977%0.773SS**  cis-143.9-175.7-35.741.4-23.4000115.7
341V30.2Very low30.7Very low141 Ų141156.6 Ų156.686%0.85577%0.772SS**  trans72.7155.9152.3150.80000118.4
342E28.9Very low30.8Very low157 Ų157159.9 Ų159.973%0.73478%0.78SS**  cis-172-169.1-38.1-153-99107.100108.4
343I31.7Very low30.8Very low118 Ų118160.2 Ų160.261%0.60578%0.782SS**  trans96.2121.9155.8-75.5179.5000120.3
344K29.8Very low31.2Very low184 Ų184164.2 Ų164.280%0.879%0.793SS**  trans80.7116.5153.3-82.6162-165.1169.40123.3
345K33.1Very low31.6Very low196 Ų196162.9 Ų162.985%0.85279%0.791SS**  trans-4.9139.6143.3-55.2173.6179.3178.20119.5
346E28.2Very low32.1Very low196 Ų196162.6 Ų162.692%0.91679%0.789SS**  -147.3-173.8125.5-136.4179-172.800112.8
347I29.6Very low32.6Very low145 Ų145162.7 Ų162.774%0.74479%0.79SS**  trans-141.1161.1-158.6-65.8175.4000111.4
348K28.6Very low33.2Very low178 Ų178162.2 Ų162.277%0.77479%0.788SS**  trans93.7125.2157.9-98.8162.2-177.91710119
349K29.6Very low33.9Very low196 Ų196167 Ų16785%0.85280%0.8SS**  trans52.1113.4142-69.3179.3174.5-174.20119.2
350E30.5Very low34.7Very low186 Ų186169.5 Ų169.587%0.86980%0.804SS**  trans-139126.1142.1-157.6172.8-14400110.7
351K34.9Very low34.2Very low201 Ų201170.9 Ų170.987%0.87481%0.811SS**  trans-172.1136.5169-119.3-177.9-177.2-178.60108.6
352K32.9Very low34.9Very low196 Ų196171 Ų17185%0.85281%0.812SS**  trans69.6136.2-145.2-51.2174.9-179.1-175.70109.7
353E31.8Very low35.2Very low157 Ų157167.5 Ų167.573%0.73482%0.818SS**  cis-123.6166.65.4-56175.997.900111.7
354K36.1Very low35.4Very low213 Ų213171.7 Ų171.793%0.92683%0.832SS**  -147.3140.3103-70-147.4175.2-179.60109.1
355V39.1Very low35.6Very low114 Ų114171.3 Ų171.369%0.69183%0.83SS**  trans-91.4154-169.5179.80000111.3
356S38.5Very low35.6Very low94 Ų94169.4 Ų169.466%0.65783%0.829SS**  trans-63.1131.9-179-172.40000112.8F358S356-F358 VanDerWaalsContact C-N 3.28Å; S356-F358 PolarHBondContact O-N 3.05Å; S356-F358 VanDerWaalsContact O-N 3.09Å
357L40Very low35.8Very low168 Ų168164.7 Ų164.788%0.8882%0.818SS**THydrogen-bonded Turntrans-88.657.5-176.2-151.9168.8000111.1
358F39.8Very low36Very low184 Ų184165.4 Ų165.481%0.80782%0.816SS**THydrogen-bonded Turntrans-134-7.7-177.6-103.9-80.7000116.3S356 R360S356-F358 VanDerWaalsContact C-N 3.28Å; S356-F358 PolarHBondContact O-N 3.05Å; S356-F358 VanDerWaalsContact O-N 3.09Å; F358-R360 PolarHBondContact O-N 3.26Å
359E42.2Very low36.1Very low189 Ų189167 Ų16788%0.88382%0.817SS**THydrogen-bonded Turntrans-98.837.9-172.9-152.6174.3-176.700114
360R45.8Very low36Very low244 Ų244161.7 Ų161.792%0.92180%0.804SS**THydrogen-bonded Turntrans-131.13.3177.9-86.5-171.5-179.3144.94.5116.3F358F358-R360 PolarHBondContact O-N 3.26Å
361V37.6Very low35.9Very low132 Ų132157.9 Ų157.980%0.879%0.79SS**SBendtrans-129.556.9-175.2-163.90000112.9
362T43.8Very low35.9Very low144 Ų144156.6 Ų156.688%0.88378%0.784SS**  trans-168.476.4145.243.20000109.8K364T362-K364 PolarHBondContact O-N 3.33Å
363G35.8Very low35.9Very low83 Ų83154.5 Ų154.586%0.85678%0.781SS**  trans-81.3106.6174.600000112
364K34.8Very low35.8Very low205 Ų205152 Ų15289%0.89178%0.782SS**  trans-150.3117.5156.2-125.6174.1-175.1-178.40113.7T362T362-K364 PolarHBondContact O-N 3.33Å
365K35Very low35.6Very low177 Ų177149.5 Ų149.577%0.7778%0.778SS**  trans-69.7139.8166155.2-169.8173-174.30109.5
366D33.4Very low35.1Very low155 Ų155147.6 Ų147.683%0.82978%0.782SS**  trans-161.7173.3138.2-103.8-37000111.5
367S32.4Very low34.7Very low97 Ų97146.1 Ų146.168%0.67878%0.782SS**  trans-133.1165.9-160.4-56.50000113.9
368K32.8Very low34.5Very low161 Ų161143.5 Ų143.570%0.778%0.777SS**  trans84.1125.3141.3-171.6-179.6-176178.60118.5
369R30.3Very low34.1Very low211 Ų211141.8 Ų141.880%0.79678%0.777SS**  trans67.2162.7160.4-76.8173.7-175.1172.2-3.9117.1
370S28.7Very low33.8Very low84 Ų84138.2 Ų138.259%0.58777%0.773SS**  cis-174.7172.6-40.653.20000108.5
371D29.2Very low33.2Very low107 Ų107131.7 Ų131.757%0.57276%0.764SS**  trans84.4117.9159.8-68.1-86.3000120.9
372K33.9Very low33.2Very low173 Ų173131.4 Ų131.475%0.75276%0.763SS**  trans72143.8133.2-67.1-179.1178.993.50117.8
373L32.7Very low32.5Very low152 Ų152131.9 Ų131.980%0.79676%0.76SS**  cis-158.5169.114.5-127.3162.1000111
374S29.8Very low32.4Very low106 Ų106135 Ų13574%0.74176%0.757SS**  trans74.3140.3154.8178.80000120.1
375N31.8Very low32.2Very low159 Ų159134.1 Ų134.185%0.8575%0.752SS**  cis-166.3154.6-28.1-159.115.8000111.2
376G29.7Very low32.1Very low74 Ų74131 Ų13176%0.76375%0.753SS**  trans83144.6166.800000116.9
377G28.9Very low32.6Very low64 Ų64129.4 Ų129.466%0.6675%0.751SS**  cis170.9150.8-8.700000112.8
378S36.7Very low32.6Very low112 Ų112130.7 Ų130.778%0.78376%0.76SS**  trans55.6148.5168.847.50000119.7
379D31Very low32.6Very low149 Ų149126.9 Ų126.980%0.79776%0.758SS**  cis-162.2167.1-16.4-101.7-32.5000111
380S35.1Very low32.5Very low114 Ų114127.1 Ų127.180%0.79777%0.766SS**  trans65.4138.8174.970.90000117.3
381S33.8Very low32.5Very low107 Ų107126 Ų12675%0.74877%0.767SS**  cis91.692.616.8-170.50000116.9
382T37.5Very low32.5Very low125 Ų125129.9 Ų129.977%0.76778%0.782SS**  -167134110.532.50000112.8
383D30.3Very low32.3Very low155 Ų155127.4 Ų127.483%0.82978%0.782SS**  trans54.5139.9148.2-71.1-50000126.4
384L32.7Very low32.2Very low149 Ų149129 Ų12978%0.7879%0.785SS**  trans-90.8176.3160.5-55.1163.9000107.5
385K30.4Very low32.2Very low185 Ų185131.8 Ų131.880%0.80479%0.786SS**  cis-173153.932.3-137.9159.4-176.5177.20104.8
386S33.3Very low32Very low111 Ų111132 Ų13278%0.77678%0.782SS**  176.8162.585.954.20000111.7
387P43.2Very low31.9Very low123 Ų123133 Ų13380%0.79978%0.778SS**  trans-102.2170.1173.939.1-33.7000114.3
388S32.1Very low31.9Very low124 Ų124138.5 Ų138.587%0.86778%0.784SS**  trans-80.9163-174.7-23.60000116
389A32.8Very low31.7Very low80 Ų80139.9 Ų139.966%0.66178%0.782SS**  trans-174.5162.313900000113.3
390F28.6Very low31.6Very low217 Ų217141.7 Ų141.795%0.95278%0.779SS**  trans67.4142.2175.8-64.1-90.6000117.6
391G29.1Very low31.4Very low60 Ų60143.5 Ų143.562%0.61978%0.78SS**  cis167.4157.5-8.700000113.4
392E29.9Very low31.5Very low188 Ų188141.9 Ų141.988%0.87977%0.768SS**  trans69.4147.4172.4-54-167.4145.200117.1
393T30.1Very low31.6Very low122 Ų122142.6 Ų142.675%0.74877%0.773SS**  cis-146.1175.7-10.24.30000111.8
394H30.1Very low31.7Very low185 Ų185142.1 Ų142.186%0.85677%0.77SS**  trans-59.4148-176.2-78.1-120.9000116.1
395Q30Very low32.2Very low165 Ų165139.7 Ų139.777%0.77176%0.764SS**  -162.1163.997.8-156.41417.700113.1
396E27.9Very low32.1Very low162 Ų162139.5 Ų139.576%0.75776%0.763SS**  trans-34.5160.7179.5-65.4139.9-126.700118.8
397S27.6Very low32.1Very low97 Ų97141.8 Ų141.868%0.67877%0.765SS**  cis-171.7145.2-19.2173.70000108.9
398F29Very low31.7Very low179 Ų179141.1 Ų141.179%0.78576%0.759SS**  trans-10.3147.5164.3-57.9-81.5000119.6
399D30.9Very low31.6Very low141 Ų141142.1 Ų142.175%0.75475%0.754SS**  cis-158.8171.628.5-134.7-22.6000117.5
400Y29.5Very low31.7Very low187 Ų187147.9 Ų147.973%0.73377%0.765SS**  trans-31.7138.5168.4-153-101.7000119.6
401D29.9Very low31.8Very low152 Ų152147.5 Ų147.581%0.81376%0.763SS**  -152.1153.1119.8-1561.7000111.7
402S36.3Very low32.4Very low72 Ų72149.9 Ų149.950%0.50377%0.767SS.*  trans-117.2112.9-174.7-71.50000112.9N404S402-N404 PolarHBondContact O-N 3.16Å
403T39.3Very low32.3Very low140 Ų140147.5 Ų147.586%0.85977%0.766SS**  trans-46.4126.2179-53.40000114.1
404N33.8Very low32.3Very low145 Ų145146 Ų14678%0.77576%0.761SS**  trans-126.7112.2169.9-150.2-21.5000109.7S402 F406S402-N404 PolarHBondContact O-N 3.16Å; N404-F406 PolarHBondContact O-N 3.38Å; N404-F406 VanDerWaalsContact O-N 3.11Å
405P42.1Very low32.3Very low99 Ų99146.1 Ų146.164%0.64376%0.763SS**  trans-94.765.6-149.737.4-39.7000115
406F29.6Very low32.4Very low180 Ų180146 Ų14679%0.78977%0.767SS**  trans-138.7133.2171.5-74.9-76.7000113.6N404N404-F406 PolarHBondContact O-N 3.38Å; N404-F406 VanDerWaalsContact O-N 3.11Å
407I32.1Very low33.6Very low160 Ų160143.6 Ų143.682%0.82177%0.766SS**  trans70.5139.8-179.5-32.5180000109
408T34.8Very low33.6Very low109 Ų109144.3 Ų144.367%0.66977%0.771SS**  cis-15215741.390.10000116.9
409N31.5Very low33.6Very low145 Ų145140.7 Ų140.778%0.77577%0.768SS**  trans65.6117.1140.8-59.6-25.3000123
410F33.2Very low33.5Very low201 Ų201137.4 Ų137.488%0.88276%0.756SS**  trans-68.2147.4148.8-96.3-107.4000112.2
411K31.7Very low33.5Very low209 Ų209138.5 Ų138.591%0.90976%0.76SS**  trans-158.5130.8136.8-118.9176.7-177-179.50111.8
412P41.2Very low33.5Very low109 Ų109137.9 Ų137.971%0.70876%0.757SS**  trans-101.6144-177.437.1-33.3000113.9
413T28.3Very low33.2Very low138 Ų138142 Ų14285%0.84777%0.77SS**  trans179.7136.3166-760000106.4
414S29.2Very low32.9Very low92 Ų92142.4 Ų142.464%0.64377%0.767SS**  cis-167.6176.1-16.355.70000109.4
415M30.5Very low33.7Very low186 Ų186140.8 Ų140.892%0.91676%0.764SS**  trans87136.3166.4-52.1-164.7-179.200119.4
416L32.7Very low33.1Very low163 Ų163141.8 Ų141.885%0.85377%0.774SS**  trans-113.1-178.4169-79.6169.5000107
417P52.9Low33.1Very low111 Ų111136.9 Ų136.972%0.72177%0.774SS**  cis-132.4171.8-28.829.7-11.1000113.4
418S27.3Very low33.2Very low113 Ų113136.7 Ų136.779%0.7977%0.773SS**  trans-158.7135.2143.3-82.90000107.4
419S28.9Very low33.3Very low103 Ų103140 Ų14072%0.7278%0.781SS**  66.9118.958.2-170.90000111.3
420S28.2Very low33.3Very low72 Ų72140 Ų14050%0.50378%0.781SS.*  cis-167.7-164.2-4.432.10000110.2
421Y31.3Very low33.8Very low209 Ų209137.9 Ų137.982%0.8278%0.778SS**  trans87.896162.9-43.7-63.1000120.8
422N30Very low33.7Very low140 Ų140139 Ų13975%0.74978%0.777SS**  19.9116.5118.8-83.4-6.1000119.6
423M29.6Very low33.7Very low158 Ų158143.7 Ų143.778%0.77879%0.786SS**  175.1160.999.7-97.1-59129.500113.9
424N31.8Very low33.7Very low148 Ų148143.4 Ų143.479%0.79178%0.784SS**  trans-87.1-174.3169.4-56.7-39.5000110.2
425P51.7Low33.9Very low111 Ų111146.7 Ų146.772%0.72179%0.791SS**  cis-136.9-171.8-3.540.1-20.4000115.6
426S29.4Very low34.1Very low120 Ų120144.7 Ų144.784%0.83978%0.784SS**  trans66.1130.615061.90000121
427G28.1Very low34.2Very low78 Ų78140.7 Ų140.780%0.80478%0.782SS**  trans174.7118.9169.600000110.6
428I34.5Very low33.7Very low156 Ų156140.8 Ų140.880%0.878%0.777SS**  trans-79.6144.6-172.8-76.2171.7000111.8
429E38Very low34.7Very low179 Ų179141.6 Ų141.684%0.83678%0.779SS**  trans18.7123.6159.6-59.9170.9139.300120.3
430D30.7Very low35.3Very low143 Ų143144.1 Ų144.177%0.76578%0.777SS**  -159.396.3121.1-142.1-8.4000116R432D430-R432 PolarHBondContact O-N 3.34Å
431L44.2Very low36.4Very low157 Ų157144.8 Ų144.882%0.82278%0.775SS**  trans33.170.8133.7-143.4170.1000120.5
432R30.1Very low37.7Very low234 Ų234138.2 Ų138.288%0.88377%0.765SS**  trans-137.790.2164.8-69.1-166.5-178.2170.65.8117.4D430D430-R432 PolarHBondContact O-N 3.34Å
433K39.9Very low39.1Very low207 Ų207135.9 Ų135.990%0.976%0.755SS**  trans10.8105.2142.1-174.6-174.9177.6179.90118.8
434T28.1Very low40.7Very low132 Ų132130.5 Ų130.581%0.8174%0.736SS**  trans-137.3113.5144.945.30000107
435M34.5Very low42.1Very low161 Ų161126.1 Ų126.179%0.79373%0.726SS**  75.5103.470.8-159.3163.990.600113.2
436D35Very low42.7Very low144 Ų144125.8 Ų125.877%0.7771%0.711SS**  trans52.170.3153.4-50.2-24.7000118N438D436-N438 PolarHBondContact O-N 3.04Å
437G35Very low44.6Very low79 Ų79129.1 Ų129.181%0.81471%0.705SS**  trans-61.596.6155.100000110.3P439G437-P439 WeakPolarHBondContact O-CD 3.41Å
438N41.8Very low46.8Very low113 Ų113131.9 Ų131.960%0.60470%0.702SS**  trans-53118.1-175.5-178.111.1000111.8D436 F440 D441D436-N438 PolarHBondContact O-N 3.04Å; N438-F440 PolarHBondContact O-N 2.81Å; N438-F440 PolarHBondContact OD1-N 3.31Å; N438-D441 PolarHBondContact O-N 2.84Å
439P49Very low48.7Very low130 Ų130128 Ų12884%0.84468%0.682SS**THydrogen-bonded Turntrans-62.7-3.3-177-2535.1000115.8G437G437-P439 WeakPolarHBondContact O-CD 3.41Å
440F41Very low50.9Low155 Ų155123.3 Ų123.368%0.6867%0.666SS**THydrogen-bonded Turntrans-97.35.7-175.9-109.9-85.3000115.4M156 N438 A442M156-F440 HydrophobicContact SD-CZ 4Å; N438-F440 PolarHBondContact O-N 2.81Å; N438-F440 PolarHBondContact OD1-N 3.31Å; F440-A442 VanDerWaalsContact C-N 3.32Å; F440-A442 PolarHBondContact O-N 2.76Å
441D50.8Low53.3Low86 Ų86126.2 Ų126.246%0.4667%0.667SS.*  trans-74.183177.4-174.528.9000112.9N438 T443 A444N438-D441 PolarHBondContact O-N 2.84Å; D441-T443 PolarHBondContact O-N 2.98Å; D441-T443 VanDerWaalsContact O-N 3.08Å; D441-T443 WeakPolarHBondContact OD1-CA 3.28Å; D441-T443 WeakPolarHBondContact OD1-CB 3.37Å; D441-T443 PolarHBondContact OD1-N 2.87Å; D441-T443 PolarHBondContact OD1-OG1 3.36Å; D441-A444 WeakPolarHBondContact O-CB 3.25Å; D441-A444 PolarHBondContact O-N 2.93Å; D441-A444 VanDerWaalsContact O-N 3.1Å; D441-A444 PolarHBondContact OD2-N 2.99Å
442A58.6Low55.4Low72 Ų72125.9 Ų125.960%0.59566%0.662SS**G310 helixtrans-60.2-13.6171.600000113.5F440 A444 Y446F440-A442 VanDerWaalsContact C-N 3.32Å; F440-A442 PolarHBondContact O-N 2.76Å; A442-A444 VanDerWaalsContact C-N 3.33Å; A442-Y446 WeakPolarHBondContact O-CD2 3.49Å
443T59.8Low58Low90 Ų90118.8 Ų118.855%0.55264%0.639SS**G310 helixtrans-73.5-24.9175.6-27.10000112.1D441 G445 Y446 R447D441-T443 PolarHBondContact O-N 2.98Å; D441-T443 VanDerWaalsContact O-N 3.08Å; D441-T443 WeakPolarHBondContact OD1-CA 3.28Å; D441-T443 WeakPolarHBondContact OD1-CB 3.37Å; D441-T443 PolarHBondContact OD1-N 2.87Å; D441-T443 PolarHBondContact OD1-OG1 3.36Å; T443-G445 PolarHBondContact O-N 3.44Å; T443-G445 VanDerWaalsContact O-N 3.11Å; T443-Y446 PolarHBondContact O-N 2.83Å; T443-R447 PolarHBondContact O-N 2.87Å
444A62.2Low60.1Low45 Ų45111.2 Ų111.237%0.37261%0.609SS.*G310 helixtrans-60.8-23.6-177.400000114.1D441 A442 R447D441-A444 WeakPolarHBondContact O-CB 3.25Å; D441-A444 PolarHBondContact O-N 2.93Å; D441-A444 VanDerWaalsContact O-N 3.1Å; D441-A444 PolarHBondContact OD2-N 2.99Å; A442-A444 VanDerWaalsContact C-N 3.33Å; A444-R447 WeakPolarHBondContact O-CG 3.34Å; A444-R447 PolarHBondContact O-NE 3.01Å
445G61.5Low63Low56 Ų56109.1 Ų109.158%0.57759%0.593SS**G310 helixtrans-80.3-22.2172.900000114.7T443 L449T443-G445 PolarHBondContact O-N 3.44Å; T443-G445 VanDerWaalsContact O-N 3.11Å; G445-L449 WeakPolarHBondContact O-CD1 3.43Å
446Y64.1Low65.5Low104 Ų104107.9 Ų107.941%0.40859%0.585SS.*THydrogen-bonded Turntrans-103.8-16.5-176.5-61.3-81.4000113.7A442 T443 N448 L449 V454A442-Y446 WeakPolarHBondContact O-CD2 3.49Å; T443-Y446 PolarHBondContact O-N 2.83Å; Y446-N448 PolarHBondContact O-N 2.91Å; Y446-L449 HydrophobicContact CD1-CD1 4.42Å; Y446-L449 PolarHBondContact O-N 3.48Å; Y446-V454 HydrophobicContact CD1-CG1 4.33Å; Y446-V454 HydrophobicContact CD1-CG2 4.22Å
447R69.3Low68Low190 Ų190103.7 Ų103.772%0.71756%0.561SS**THydrogen-bonded Turntrans-55.9-17.4-176.671.3-177.9174.3159.45.4116.4T443 A444T443-R447 PolarHBondContact O-N 2.87Å; A444-R447 WeakPolarHBondContact O-CG 3.34Å; A444-R447 PolarHBondContact O-NE 3.01Å
448N75Confident70.5Confident137 Ų137105 Ų10573%0.73355%0.548SS*.THydrogen-bonded Turntrans-106.6-3.2-178.2-71.6-3.8000113.4Y446Y446-N448 PolarHBondContact O-N 2.91Å
449L74.7Confident72.9Confident75 Ų75103.4 Ų103.439%0.39354%0.543SS..SBendtrans-98.7145.9-178.1-72.6123.7000110.9G445 Y446 E453 V454G445-L449 WeakPolarHBondContact O-CD1 3.43Å; Y446-L449 HydrophobicContact CD1-CD1 4.42Å; Y446-L449 PolarHBondContact O-N 3.48Å; L449-E453 HydrophobicContact CB-CB 4.26Å; L449-E453 HydrophobicContact CD2-CB 3.62Å; L449-E453 HydrophobicContact CD2-CG 4.41Å; L449-V454 HydrophobicContact CB-CG2 3.69Å
450T84.4Confident74.9Confident80 Ų80101.7 Ų101.749%0.49152%0.522SS..  trans-69.3160171.465.30000111.3E452 E453 V454T450-E452 PolarHBondContact O-N 3.4Å; T450-E452 VanDerWaalsContact O-N 3.17Å; T450-E453 VanDerWaalsContact CB-OE2 3.29Å; T450-E453 WeakPolarHBondContact CB-OE2 3.47Å; T450-E453 WeakPolarHBondContact CG2-OE2 3.18Å; T450-E453 PolarHBondContact N-OE2 2.95Å; T450-E453 PolarHBondContact O-N 2.82Å; T450-E453 VanDerWaalsContact OG1-CD 3.32Å; T450-E453 WeakPolarHBondContact OG1-CG 3.48Å; T450-E453 PolarHBondContact OG1-N 2.92Å; T450-E453 PolarHBondContact OG1-OE2 3.41Å; T450-V454 WeakPolarHBondContact O-CG2 3.35Å; T450-V454 PolarHBondContact O-N 3.43Å
451Y80.6Confident77.1Confident203 Ų20397.7 Ų97.780%0.79651%0.505SS*.Hα-helixtrans-54.8-34.8178.1178.5-98.6000113.1L455Y451-L455 WeakPolarHBondContact O-CB 3.13Å; Y451-L455 PolarHBondContact O-N 2.74Å; Y451-L455 VanDerWaalsContact O-N 3.09Å
452E87.1Confident78.9Confident151 Ų15199.9 Ų99.971%0.70651%0.511SS*.Hα-helixtrans-73.5-43.4-179.7-171.4164.6-16800112.2T450 L455 Q456T450-E452 PolarHBondContact O-N 3.4Å; T450-E452 VanDerWaalsContact O-N 3.17Å; E452-L455 WeakPolarHBondContact O-CB 3.43Å; E452-L455 PolarHBondContact O-N 2.91Å; E452-Q456 WeakPolarHBondContact O-CB 3.42Å; E452-Q456 PolarHBondContact O-N 2.92Å
453E85.5Confident80.5Confident85 Ų85101.1 Ų101.140%0.39750%0.504SS..Hα-helixtrans-65.1-39.6175.1-65.7162.8119.900111.9L449 T450 L455 Q456 E457L449-E453 HydrophobicContact CB-CB 4.26Å; L449-E453 HydrophobicContact CD2-CB 3.62Å; L449-E453 HydrophobicContact CD2-CG 4.41Å; T450-E453 VanDerWaalsContact CB-OE2 3.29Å; T450-E453 WeakPolarHBondContact CB-OE2 3.47Å; T450-E453 WeakPolarHBondContact CG2-OE2 3.18Å; T450-E453 PolarHBondContact N-OE2 2.95Å; T450-E453 PolarHBondContact O-N 2.82Å; T450-E453 VanDerWaalsContact OG1-CD 3.32Å; T450-E453 WeakPolarHBondContact OG1-CG 3.48Å; T450-E453 PolarHBondContact OG1-N 2.92Å; T450-E453 PolarHBondContact OG1-OE2 3.41Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 2.94Å; E453-Q456 PolarHBondContact O-N 2.82Å; E453-E457 WeakPolarHBondContact O-CB 3.36Å; E453-E457 PolarHBondContact O-N 2.83Å
454V84.6Confident81.7Confident47 Ų47101 Ų10129%0.28550%0.497SS..Hα-helixtrans-62.4-39.9174176.20000111Y446 L449 T450 L458Y446-V454 HydrophobicContact CD1-CG1 4.33Å; Y446-V454 HydrophobicContact CD1-CG2 4.22Å; L449-V454 HydrophobicContact CB-CG2 3.69Å; T450-V454 WeakPolarHBondContact O-CG2 3.35Å; T450-V454 PolarHBondContact O-N 3.43Å; V454-L458 VanDerWaalsContact O-CB 3.31Å; V454-L458 WeakPolarHBondContact O-CB 3.22Å; V454-L458 PolarHBondContact O-N 3.41Å
455L89.1Confident82.9Confident88 Ų88103.7 Ų103.746%0.46151%0.505SS..Hα-helixtrans-65.9-42.3175.1-179.662.4000111.6Y451 E452 E453 L458 V459Y451-L455 WeakPolarHBondContact O-CB 3.13Å; Y451-L455 PolarHBondContact O-N 2.74Å; Y451-L455 VanDerWaalsContact O-N 3.09Å; E452-L455 WeakPolarHBondContact O-CB 3.43Å; E452-L455 PolarHBondContact O-N 2.91Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 2.94Å; L455-L458 PolarHBondContact O-N 3.39Å; L455-V459 WeakPolarHBondContact O-CG2 3.26Å; L455-V459 PolarHBondContact O-N 2.81Å
456Q87.4Confident84.3Confident136 Ų136107.1 Ų107.164%0.63650%0.504SS*.Hα-helixtrans-63.2-45.4177.5-171.2177.511.400111.8E452 E453 L458 V459 K460E452-Q456 WeakPolarHBondContact O-CB 3.42Å; E452-Q456 PolarHBondContact O-N 2.92Å; E453-Q456 PolarHBondContact O-N 2.82Å; Q456-L458 VanDerWaalsContact C-N 3.32Å; Q456-L458 PolarHBondContact O-N 3.4Å; Q456-V459 PolarHBondContact O-N 2.95Å; Q456-K460 WeakPolarHBondContact O-CB 3.36Å; Q456-K460 PolarHBondContact O-N 3.36Å
457E86Confident85.7Confident56 Ų56108 Ų10826%0.26251%0.51SS..Hα-helixtrans-67.4-33.4177.9-162.862.4-150.400111.6E453 K460 H461E453-E457 WeakPolarHBondContact O-CB 3.36Å; E453-E457 PolarHBondContact O-N 2.83Å; E457-K460 PolarHBondContact O-N 2.9Å; E457-K460 WeakPolarHBondContact OE1-CE 3.25Å; E457-K460 IonicContact OE1-NZ 2.69Å; E457-K460 PolarHBondContact OE1-NZ 3.05Å; E457-K460 WeakPolarHBondContact OE2-CD 3.45Å; E457-K460 IonicContact OE2-NZ 2.68Å; E457-K460 PolarHBondContact OE2-NZ 2.79Å; E457-H461 WeakPolarHBondContact O-CB 3.1Å; E457-H461 VanDerWaalsContact O-CG 3.31Å; E457-H461 PolarHBondContact O-N 3.03Å; E457-H461 PolarHBondContact O-ND1 3.1Å; E457-H461 IonicContact OE1-CE1 3.99Å; E457-H461 IonicContact OE1-NE2 2.95Å
458L88Confident86.7Confident105 Ų105104.8 Ų104.855%0.5550%0.501SS..Hα-helixtrans-65.7-42.5172.3-168.6159.4000111.8V454 L455 Q456 H461 K462V454-L458 VanDerWaalsContact O-CB 3.31Å; V454-L458 WeakPolarHBondContact O-CB 3.22Å; V454-L458 PolarHBondContact O-N 3.41Å; L455-L458 PolarHBondContact O-N 3.39Å; Q456-L458 VanDerWaalsContact C-N 3.32Å; Q456-L458 PolarHBondContact O-N 3.4Å; L458-H461 PolarHBondContact O-N 3.07Å; L458-K462 VanDerWaalsContact O-CB 3.32Å; L458-K462 WeakPolarHBondContact O-CB 3.43Å; L458-K462 PolarHBondContact O-N 2.84Å
459V91.8Very high87.4Confident80 Ų80101.9 Ų101.949%0.48549%0.486SS..Hα-helixtrans-63-44.1174.3169.70000111.1L455 Q456 K462 E463L455-V459 WeakPolarHBondContact O-CG2 3.26Å; L455-V459 PolarHBondContact O-N 2.81Å; Q456-V459 PolarHBondContact O-N 2.95Å; V459-K462 WeakPolarHBondContact O-CB 3.24Å; V459-K462 PolarHBondContact O-N 3.14Å; V459-E463 PolarHBondContact O-N 2.79Å
460K91.1Very high88.4Confident95 Ų95102.4 Ų102.441%0.41349%0.488SS..Hα-helixtrans-61.9-45.7176.1175.7177.8161.8-139.70112.3Q456 E457 K462 E463 Q464Q456-K460 WeakPolarHBondContact O-CB 3.36Å; Q456-K460 PolarHBondContact O-N 3.36Å; E457-K460 PolarHBondContact O-N 2.9Å; E457-K460 WeakPolarHBondContact OE1-CE 3.25Å; E457-K460 IonicContact OE1-NZ 2.69Å; E457-K460 PolarHBondContact OE1-NZ 3.05Å; E457-K460 WeakPolarHBondContact OE2-CD 3.45Å; E457-K460 IonicContact OE2-NZ 2.68Å; E457-K460 PolarHBondContact OE2-NZ 2.79Å; K460-K462 VanDerWaalsContact C-N 3.35Å; K460-K462 PolarHBondContact O-N 3.01Å; K460-E463 PolarHBondContact O-N 3.13Å; K460-Q464 WeakPolarHBondContact O-CG 3.43Å; K460-Q464 PolarHBondContact O-N 3Å
461H86.7Confident88.8Confident70 Ų70103.3 Ų103.332%0.32449%0.487SS..Hα-helixtrans-61.2-40.9172.2-75.2140.8000112.2E457 L458 E463 Q464 L465E457-H461 WeakPolarHBondContact O-CB 3.1Å; E457-H461 VanDerWaalsContact O-CG 3.31Å; E457-H461 PolarHBondContact O-N 3.03Å; E457-H461 PolarHBondContact O-ND1 3.1Å; E457-H461 IonicContact OE1-CE1 3.99Å; E457-H461 IonicContact OE1-NE2 2.95Å; L458-H461 PolarHBondContact O-N 3.07Å; H461-E463 VanDerWaalsContact C-N 3.3Å; H461-E463 PolarHBondContact O-N 3.39Å; H461-Q464 PolarHBondContact O-N 2.71Å; H461-L465 WeakPolarHBondContact O-CB 3.49Å; H461-L465 WeakPolarHBondContact O-CG 3.13Å; H461-L465 PolarHBondContact O-N 3.04Å
462K89.6Confident89.4Confident133 Ų13397.7 Ų97.758%0.57847%0.469SS*.Hα-helixtrans-63.4-34.2175.5-178.3-178.9179.5-178.60112.6L458 V459 K460 K466L458-K462 VanDerWaalsContact O-CB 3.32Å; L458-K462 WeakPolarHBondContact O-CB 3.43Å; L458-K462 PolarHBondContact O-N 2.84Å; V459-K462 WeakPolarHBondContact O-CB 3.24Å; V459-K462 PolarHBondContact O-N 3.14Å; K460-K462 VanDerWaalsContact C-N 3.35Å; K460-K462 PolarHBondContact O-N 3.01Å; K462-K466 WeakPolarHBondContact O-CG 3.12Å; K462-K466 PolarHBondContact O-N 3.18Å; K462-K466 VanDerWaalsContact O-N 3.12Å
463E92.9Very high89.7Confident98 Ų9897.3 Ų97.346%0.45846%0.461SS..Hα-helixtrans-72.9-41173.3-161.8-166.5141.200112V459 K460 H461 L465 K466 K467V459-E463 PolarHBondContact O-N 2.79Å; K460-E463 PolarHBondContact O-N 3.13Å; H461-E463 VanDerWaalsContact C-N 3.3Å; H461-E463 PolarHBondContact O-N 3.39Å; E463-L465 VanDerWaalsContact C-N 3.32Å; E463-L465 PolarHBondContact O-N 2.84Å; E463-K466 PolarHBondContact O-N 2.84Å; E463-K467 WeakPolarHBondContact O-CG 3.39Å; E463-K467 PolarHBondContact O-N 2.98Å; E463-K467 WeakPolarHBondContact OE1-CE 3.26Å; E463-K467 IonicContact OE1-NZ 2.61Å; E463-K467 PolarHBondContact OE1-NZ 3.16Å
464Q85.2Confident90.2Very high86 Ų8698.4 Ų98.440%0.40247%0.467SS..Hα-helixtrans-62.5-37.4173.7-72.3178.40.200112.7K460 H461 K467 K468K460-Q464 WeakPolarHBondContact O-CG 3.43Å; K460-Q464 PolarHBondContact O-N 3Å; H461-Q464 PolarHBondContact O-N 2.71Å; Q464-K467 PolarHBondContact O-N 2.81Å; Q464-K468 PolarHBondContact O-N 3.04Å; Q464-K468 VanDerWaalsContact O-N 3.09Å
465L85.9Confident90.7Very high103 Ų103100.2 Ų100.254%0.53947%0.474SS..Hα-helixtrans-62.7-52.9172.3-76166.7000110.4H461 E463 K467 K468 D469H461-L465 WeakPolarHBondContact O-CB 3.49Å; H461-L465 WeakPolarHBondContact O-CG 3.13Å; H461-L465 PolarHBondContact O-N 3.04Å; E463-L465 VanDerWaalsContact C-N 3.32Å; E463-L465 PolarHBondContact O-N 2.84Å; L465-K467 PolarHBondContact O-N 3.22Å; L465-K467 VanDerWaalsContact O-N 3.15Å; L465-K468 CarbonylContact O-C 3.51Å; L465-K468 WeakPolarHBondContact O-CA 3.42Å; L465-K468 WeakPolarHBondContact O-CB 3.39Å; L465-K468 PolarHBondContact O-N 2.89Å; L465-D469 PolarHBondContact O-N 2.99Å
466K92.3Very high90.8Very high127 Ų127101 Ų10155%0.55248%0.476SS*.Hα-helixtrans-51.7-40.8174.4-79.2-178.2168.9-166.20113.5K462 E463 D469 I470K462-K466 WeakPolarHBondContact O-CG 3.12Å; K462-K466 PolarHBondContact O-N 3.18Å; K462-K466 VanDerWaalsContact O-N 3.12Å; E463-K466 PolarHBondContact O-N 2.84Å; K466-D469 PolarHBondContact O-N 2.89Å; K466-I470 WeakPolarHBondContact O-CD1 3.34Å; K466-I470 VanDerWaalsContact O-CG1 3.29Å; K466-I470 WeakPolarHBondContact O-CG1 3.3Å; K466-I470 PolarHBondContact O-N 2.85Å
467K92.1Very high91.3Very high123 Ų12399.3 Ų99.354%0.53547%0.471SS..Hα-helixtrans-66.4-37.4177.2-72.3174.9-175.5173.30111.9E463 Q464 L465 H471E463-K467 WeakPolarHBondContact O-CG 3.39Å; E463-K467 PolarHBondContact O-N 2.98Å; E463-K467 WeakPolarHBondContact OE1-CE 3.26Å; E463-K467 IonicContact OE1-NZ 2.61Å; E463-K467 PolarHBondContact OE1-NZ 3.16Å; Q464-K467 PolarHBondContact O-N 2.81Å; L465-K467 PolarHBondContact O-N 3.22Å; L465-K467 VanDerWaalsContact O-N 3.15Å; K467-H471 WeakPolarHBondContact O-CB 3.43Å; K467-H471 PolarHBondContact O-N 3.3Å; K467-H471 VanDerWaalsContact O-N 3.09Å
468K91.8Very high91.7Very high122 Ų122103.8 Ų103.853%0.5349%0.486SS..Hα-helixtrans-67.3-42.9169.7-71.4-171.4176.571.20112.2Q464 L465 I470 H471 I472Q464-K468 PolarHBondContact O-N 3.04Å; Q464-K468 VanDerWaalsContact O-N 3.09Å; L465-K468 CarbonylContact O-C 3.51Å; L465-K468 WeakPolarHBondContact O-CA 3.42Å; L465-K468 WeakPolarHBondContact O-CB 3.39Å; L465-K468 PolarHBondContact O-N 2.89Å; K468-I470 PolarHBondContact O-N 2.96Å; K468-H471 PolarHBondContact O-N 3.04Å; K468-H471 VanDerWaalsContact O-N 3.13Å; K468-I472 WeakPolarHBondContact O-CB 3.34Å; K468-I472 VanDerWaalsContact O-CG1 3.27Å; K468-I472 WeakPolarHBondContact O-CG1 3.37Å; K468-I472 PolarHBondContact O-N 3.42Å
469D89.6Confident92Very high76 Ų76103.7 Ų103.741%0.40649%0.485SS..Hα-helixtrans-64.1-24.6179-56.9-30.9000113.2L465 K466 R473L465-D469 PolarHBondContact O-N 2.99Å; K466-D469 PolarHBondContact O-N 2.89Å; D469-R473 VanDerWaalsContact O-CZ 3.32Å; D469-R473 PolarHBondContact O-NH1 2.82Å; D469-R473 VanDerWaalsContact O-NH1 3.14Å; D469-R473 PolarHBondContact O-NH2 2.55Å
470I95.1Very high92Very high87 Ų87104.7 Ų104.745%0.44649%0.488SS..Hα-helixtrans-78.1-51.4170.4-69.1163.5000109.4K466 K468 I472 R473 E474K466-I470 WeakPolarHBondContact O-CD1 3.34Å; K466-I470 VanDerWaalsContact O-CG1 3.29Å; K466-I470 WeakPolarHBondContact O-CG1 3.3Å; K466-I470 PolarHBondContact O-N 2.85Å; K468-I470 PolarHBondContact O-N 2.96Å; I470-I472 VanDerWaalsContact C-N 3.33Å; I470-I472 PolarHBondContact O-N 2.92Å; I470-R473 WeakPolarHBondContact O-CA 3.18Å; I470-R473 WeakPolarHBondContact O-CB 3.22Å; I470-R473 PolarHBondContact O-N 3.06Å; I470-E474 HydrophobicContact CG2-CG 4.46Å; I470-E474 WeakPolarHBondContact CG2-OE1 3.43Å; I470-E474 PolarHBondContact O-N 2.97Å
471H92.4Very high92.2Very high99 Ų99104.3 Ų104.346%0.45849%0.491SS..Hα-helixtrans-63.9-33.8-177.4-169.750.1000114.1K467 K468 R473 E474 L475K467-H471 WeakPolarHBondContact O-CB 3.43Å; K467-H471 PolarHBondContact O-N 3.3Å; K467-H471 VanDerWaalsContact O-N 3.09Å; K468-H471 PolarHBondContact O-N 3.04Å; K468-H471 VanDerWaalsContact O-N 3.13Å; H471-R473 VanDerWaalsContact C-N 3.31Å; H471-R473 PolarHBondContact O-N 3.18Å; H471-E474 WeakPolarHBondContact CA-OE2 3.4Å; H471-E474 IonicContact CE1-OE2 3.81Å; H471-E474 IonicContact CG-OE2 3.25Å; H471-E474 IonicContact ND1-OE2 3.81Å; H471-E474 PolarHBondContact ND1-OE2 2.94Å; H471-E474 PolarHBondContact O-N 3.44Å; H471-L475 WeakPolarHBondContact O-CG 3.4Å; H471-L475 PolarHBondContact O-N 2.92Å
472I92.4Very high92.5Very high85 Ų85104.3 Ų104.344%0.43649%0.493SS..Hα-helixtrans-59.8-44.7171.4-71.1164.7000109.9K468 I470 E474 L475 E476K468-I472 WeakPolarHBondContact O-CB 3.34Å; K468-I472 VanDerWaalsContact O-CG1 3.27Å; K468-I472 WeakPolarHBondContact O-CG1 3.37Å; K468-I472 PolarHBondContact O-N 3.42Å; I470-I472 VanDerWaalsContact C-N 3.33Å; I470-I472 PolarHBondContact O-N 2.92Å; I472-E474 PolarHBondContact O-N 2.76Å; I472-L475 PolarHBondContact O-N 2.87Å; I472-L475 VanDerWaalsContact O-N 3.17Å; I472-E476 HydrophobicContact CG2-CG 4.31Å; I472-E476 VanDerWaalsContact O-CG 3.3Å; I472-E476 WeakPolarHBondContact O-CG 3.49Å; I472-E476 PolarHBondContact O-N 3.23Å
473R95.1Very high92.6Very high142 Ų142101.5 Ų101.554%0.53648%0.484SS..Hα-helixtrans-68.2-34.1179.2-165.4-180-56.78822.5113.2D469 I470 H471 L475 E476 D477D469-R473 VanDerWaalsContact O-CZ 3.32Å; D469-R473 PolarHBondContact O-NH1 2.82Å; D469-R473 VanDerWaalsContact O-NH1 3.14Å; D469-R473 PolarHBondContact O-NH2 2.55Å; I470-R473 WeakPolarHBondContact O-CA 3.18Å; I470-R473 WeakPolarHBondContact O-CB 3.22Å; I470-R473 PolarHBondContact O-N 3.06Å; H471-R473 VanDerWaalsContact C-N 3.31Å; H471-R473 PolarHBondContact O-N 3.18Å; R473-L475 VanDerWaalsContact C-N 3.32Å; R473-E476 WeakPolarHBondContact CA-OE2 3.2Å; R473-D477 WeakPolarHBondContact O-CB 3.49Å; R473-D477 PolarHBondContact O-N 3.32Å
474E95.4Very high92.6Very high109 Ų109100.4 Ų100.451%0.50948%0.483SS..Hα-helixtrans-63.3-39.2171.3-66.3166.4172.800111.5I470 H471 I472 Y478I470-E474 HydrophobicContact CG2-CG 4.46Å; I470-E474 WeakPolarHBondContact CG2-OE1 3.43Å; I470-E474 PolarHBondContact O-N 2.97Å; H471-E474 WeakPolarHBondContact CA-OE2 3.4Å; H471-E474 IonicContact CE1-OE2 3.81Å; H471-E474 IonicContact CG-OE2 3.25Å; H471-E474 IonicContact ND1-OE2 3.81Å; H471-E474 PolarHBondContact ND1-OE2 2.94Å; H471-E474 PolarHBondContact O-N 3.44Å; I472-E474 PolarHBondContact O-N 2.76Å; E474-Y478 VanDerWaalsContact O-CB 3.31Å; E474-Y478 WeakPolarHBondContact O-CB 3.37Å; E474-Y478 PolarHBondContact O-N 3.02Å
475L95.3Very high92.9Very high84 Ų84102.6 Ų102.644%0.4449%0.488SS..Hα-helixtrans-74.4-36.7176.8-68.5172.3000112.5H471 I472 R473 Y478 I479H471-L475 WeakPolarHBondContact O-CG 3.4Å; H471-L475 PolarHBondContact O-N 2.92Å; I472-L475 PolarHBondContact O-N 2.87Å; I472-L475 VanDerWaalsContact O-N 3.17Å; R473-L475 VanDerWaalsContact C-N 3.32Å; L475-Y478 PolarHBondContact O-N 2.94Å; L475-I479 WeakPolarHBondContact O-CB 3.38Å; L475-I479 WeakPolarHBondContact O-CD1 3.29Å; L475-I479 WeakPolarHBondContact O-CG1 3.49Å; L475-I479 PolarHBondContact O-N 3.08Å
476E91.4Very high93.3Very high106 Ų10699.1 Ų99.150%0.49547%0.471SS..Hα-helixtrans-60.3-52.4172-72.7168157.300110.4I472 R473 Y478 I479 D480I472-E476 HydrophobicContact CG2-CG 4.31Å; I472-E476 VanDerWaalsContact O-CG 3.3Å; I472-E476 WeakPolarHBondContact O-CG 3.49Å; I472-E476 PolarHBondContact O-N 3.23Å; R473-E476 WeakPolarHBondContact CA-OE2 3.2Å; E476-Y478 VanDerWaalsContact C-N 3.34Å; E476-Y478 PolarHBondContact O-N 2.97Å; E476-I479 PolarHBondContact O-N 3.12Å; E476-I479 VanDerWaalsContact O-N 3.11Å; E476-D480 PolarHBondContact O-N 2.77Å
477D96.4Very high93.1Very high100 Ų10098.4 Ų98.454%0.53547%0.471SS..Hα-helixtrans-61.7-39.1177.4-17479000112.3R473 I479 D480 N481R473-D477 WeakPolarHBondContact O-CB 3.49Å; R473-D477 PolarHBondContact O-N 3.32Å; D477-I479 PolarHBondContact O-N 2.94Å; D477-D480 PolarHBondContact O-N 2.84Å; D477-N481 WeakPolarHBondContact O-CB 3.5Å; D477-N481 PolarHBondContact O-N 3.29Å; D477-N481 PolarHBondContact O-ND2 2.91Å; D477-N481 PolarHBondContact OD1-ND2 2.82Å; D477-N481 PolarHBondContact OD2-ND2 3.11Å
478Y95.5Very high93Very high149 Ų14999.7 Ų99.758%0.58448%0.479SS*.Hα-helixtrans-62.6-41172.9177-95.3000112.6E474 L475 E476 L482E474-Y478 VanDerWaalsContact O-CB 3.31Å; E474-Y478 WeakPolarHBondContact O-CB 3.37Å; E474-Y478 PolarHBondContact O-N 3.02Å; L475-Y478 PolarHBondContact O-N 2.94Å; E476-Y478 VanDerWaalsContact C-N 3.34Å; E476-Y478 PolarHBondContact O-N 2.97Å; Y478-L482 HydrophobicContact CE1-CD2 4.12Å; Y478-L482 VanDerWaalsContact O-CB 3.22Å; Y478-L482 WeakPolarHBondContact O-CB 3.43Å; Y478-L482 PolarHBondContact O-N 3.12Å
479I94.1Very high93Very high103 Ų103100.4 Ų100.453%0.52848%0.484SS..Hα-helixtrans-66.5-44177.5-73.2164.4000110.6L475 E476 D477 L482 L483L475-I479 WeakPolarHBondContact O-CB 3.38Å; L475-I479 WeakPolarHBondContact O-CD1 3.29Å; L475-I479 WeakPolarHBondContact O-CG1 3.49Å; L475-I479 PolarHBondContact O-N 3.08Å; E476-I479 PolarHBondContact O-N 3.12Å; E476-I479 VanDerWaalsContact O-N 3.11Å; D477-I479 PolarHBondContact O-N 2.94Å; I479-L482 PolarHBondContact O-N 3.42Å; I479-L483 VanDerWaalsContact O-CB 3.29Å; I479-L483 WeakPolarHBondContact O-CB 3.4Å; I479-L483 PolarHBondContact O-N 2.83Å
480D92.6Very high92.9Very high101 Ų10199.8 Ų99.854%0.5448%0.483SS..Hα-helixtrans-65.5-45.6179.1-77-14.7000111.4E476 D477 L482 L483 V484E476-D480 PolarHBondContact O-N 2.77Å; D477-D480 PolarHBondContact O-N 2.84Å; D480-L482 VanDerWaalsContact C-N 3.32Å; D480-L482 PolarHBondContact O-N 2.83Å; D480-L483 PolarHBondContact O-N 3.47Å; D480-V484 WeakPolarHBondContact O-CG2 3.35Å; D480-V484 PolarHBondContact O-N 3.4Å
481N94.1Very high92.4Very high88 Ų8898.5 Ų98.547%0.47148%0.481SS..Hα-helixtrans-61.9-37.6174.6-80.4-75.5000112.7D477 R485D477-N481 WeakPolarHBondContact O-CB 3.5Å; D477-N481 PolarHBondContact O-N 3.29Å; D477-N481 PolarHBondContact O-ND2 2.91Å; D477-N481 PolarHBondContact OD1-ND2 2.82Å; D477-N481 PolarHBondContact OD2-ND2 3.11Å; N481-R485 PolarHBondContact O-N 3.03Å
482L93.9Very high91.8Very high70 Ų7097.6 Ų97.637%0.36649%0.485SS..Hα-helixtrans-68.6-40.5174.5179.461000111.5Y478 I479 D480 R485 V486Y478-L482 HydrophobicContact CE1-CD2 4.12Å; Y478-L482 VanDerWaalsContact O-CB 3.22Å; Y478-L482 WeakPolarHBondContact O-CB 3.43Å; Y478-L482 PolarHBondContact O-N 3.12Å; I479-L482 PolarHBondContact O-N 3.42Å; D480-L482 VanDerWaalsContact C-N 3.32Å; D480-L482 PolarHBondContact O-N 2.83Å; L482-R485 PolarHBondContact O-N 2.89Å; L482-V486 HydrophobicContact CD1-CG2 4.34Å; L482-V486 WeakPolarHBondContact O-CB 3.36Å; L482-V486 VanDerWaalsContact O-CG2 3.29Å; L482-V486 WeakPolarHBondContact O-CG2 3.45Å; L482-V486 PolarHBondContact O-N 3.03Å
483L92.1Very high91.3Very high74 Ų7499.5 Ų99.539%0.38750%0.495SS..Hα-helixtrans-64.6-42178.5-177.662.6000111.5I479 D480 V486 M487 L494I479-L483 VanDerWaalsContact O-CB 3.29Å; I479-L483 WeakPolarHBondContact O-CB 3.4Å; I479-L483 PolarHBondContact O-N 2.83Å; D480-L483 PolarHBondContact O-N 3.47Å; L483-V486 PolarHBondContact O-N 3.15Å; L483-M487 HydrophobicContact CG-SD 4.25Å; L483-M487 VanDerWaalsContact O-CG 3.31Å; L483-M487 WeakPolarHBondContact O-CG 3.47Å; L483-M487 PolarHBondContact O-N 2.77Å; L483-L494 HydrophobicContact CD1-CD1 3.82Å; L483-L494 HydrophobicContact CD1-CD2 3.75Å; L483-L494 HydrophobicContact CD1-CG 4.46Å
484V92.9Very high90.5Very high75 Ų7597 Ų9746%0.45549%0.492SS..Hα-helixtrans-56.8-52.7172.8169.70000110.5D480 V486 M487 E488D480-V484 WeakPolarHBondContact O-CG2 3.35Å; D480-V484 PolarHBondContact O-N 3.4Å; V484-V486 VanDerWaalsContact C-N 3.29Å; V484-V486 PolarHBondContact O-N 2.79Å; V484-M487 WeakPolarHBondContact O-CB 3.19Å; V484-M487 PolarHBondContact O-N 3.37Å; V484-E488 WeakPolarHBondContact O-CG 3.47Å; V484-E488 PolarHBondContact O-N 2.87Å
485R91.1Very high89.8Confident132 Ų132100.5 Ų100.550%0.49850%0.5SS..Hα-helixtrans-59.7-39.1178.5-169.3-178.7-54.5146.810.6112.5N481 L482 E488 E489N481-R485 PolarHBondContact O-N 3.03Å; L482-R485 PolarHBondContact O-N 2.89Å; R485-E488 PolarHBondContact O-N 3.49Å; R485-E489 WeakPolarHBondContact CD-OE1 3.24Å; R485-E489 VanDerWaalsContact CG-CD 3.47Å; R485-E489 HydrophobicContact CG-CG 4.05Å; R485-E489 VanDerWaalsContact CG-OE1 3.25Å; R485-E489 WeakPolarHBondContact CG-OE1 3.27Å; R485-E489 WeakPolarHBondContact O-CB 3.14Å; R485-E489 PolarHBondContact O-N 3.26Å
486V92.9Very high88.7Confident30 Ų30102.9 Ų102.918%0.18252%0.518CS..Hα-helixtrans-66.5-36.3175.9167.20000112L482 L483 V484 E488 T490 P491 I493 L494L482-V486 HydrophobicContact CD1-CG2 4.34Å; L482-V486 WeakPolarHBondContact O-CB 3.36Å; L482-V486 VanDerWaalsContact O-CG2 3.29Å; L482-V486 WeakPolarHBondContact O-CG2 3.45Å; L482-V486 PolarHBondContact O-N 3.03Å; L483-V486 PolarHBondContact O-N 3.15Å; V484-V486 VanDerWaalsContact C-N 3.29Å; V484-V486 PolarHBondContact O-N 2.79Å; V486-E488 VanDerWaalsContact C-N 3.33Å; V486-T490 CarbonylContact O-C 3.44Å; V486-T490 WeakPolarHBondContact O-CA 3.26Å; V486-T490 PolarHBondContact O-N 2.67Å; V486-P491 VanDerWaalsContact O-N 3.16Å; V486-I493 HydrophobicContact CG1-CG2 3.27Å; V486-L494 HydrophobicContact CG1-CD1 4.03Å; V486-L494 HydrophobicContact CG1-CD2 3.94Å; V486-L494 HydrophobicContact CG1-CG 3.82Å
487M88.9Confident87.5Confident112 Ų112102.9 Ų102.955%0.55253%0.527SS*.Hα-helixtrans-67.9-31.8173.9-73.6175.459.300112.7L483 V484 L494L483-M487 HydrophobicContact CG-SD 4.25Å; L483-M487 VanDerWaalsContact O-CG 3.31Å; L483-M487 WeakPolarHBondContact O-CG 3.47Å; L483-M487 PolarHBondContact O-N 2.77Å; V484-M487 WeakPolarHBondContact O-CB 3.19Å; V484-M487 PolarHBondContact O-N 3.37Å; M487-L494 HydrophobicContact CG-CD1 3.42Å; M487-L494 VanDerWaalsContact CG-CD1 3.42Å; M487-L494 HydrophobicContact SD-CD1 4.5Å
488E89.4Confident85.7Confident150 Ų150107.5 Ų107.570%0.70154%0.539SS*.Hα-helixtrans-80.2-49.7177.8-68.7175.5159.100112.6V484 R485 V486V484-E488 WeakPolarHBondContact O-CG 3.47Å; V484-E488 PolarHBondContact O-N 2.87Å; R485-E488 PolarHBondContact O-N 3.49Å; V486-E488 VanDerWaalsContact C-N 3.33Å
489E92.3Very high84Confident136 Ų136107.7 Ų107.764%0.63655%0.545SS*.Hα-helixtrans-84.3-44.7-174.3-66.1177.5-177.900113.4R485R485-E489 WeakPolarHBondContact CD-OE1 3.24Å; R485-E489 VanDerWaalsContact CG-CD 3.47Å; R485-E489 HydrophobicContact CG-CG 4.05Å; R485-E489 VanDerWaalsContact CG-OE1 3.25Å; R485-E489 WeakPolarHBondContact CG-OE1 3.27Å; R485-E489 WeakPolarHBondContact O-CB 3.14Å; R485-E489 PolarHBondContact O-N 3.26Å
490T87.8Confident82.2Confident64 Ų64106.7 Ų106.739%0.39355%0.545SS..  trans-142.154-167.152.40000114.3V486 S492 I493V486-T490 CarbonylContact O-C 3.44Å; V486-T490 WeakPolarHBondContact O-CA 3.26Å; V486-T490 PolarHBondContact O-N 2.67Å; T490-S492 PolarHBondContact O-N 3.4Å; T490-I493 WeakPolarHBondContact O-CG2 3.37Å; T490-I493 PolarHBondContact O-N 2.82Å
491P85.4Confident80.3Confident60 Ų60106.7 Ų106.739%0.3955%0.553SS.*THydrogen-bonded Turntrans-63.5-1.2-175.726.1-36.1000115.4V486V486-P491 VanDerWaalsContact O-N 3.16Å
492S79.2Confident78.6Confident80 Ų80114.1 Ų114.156%0.55958%0.575SS**THydrogen-bonded Turntrans-70.7-32.5169.150.20000113.2T490 L494 R495T490-S492 PolarHBondContact O-N 3.4Å; S492-L494 PolarHBondContact O-N 3.21Å; S492-R495 WeakPolarHBondContact O-CB 3.28Å; S492-R495 PolarHBondContact O-N 2.77Å; S492-R495 VanDerWaalsContact O-N 3.14Å
493I82.4Confident76.7Confident125 Ų125120.3 Ų120.364%0.64160%0.599SS**THydrogen-bonded Turntrans-69.3-22.7-177-158.9172.5000112.8V486 T490 R495V486-I493 HydrophobicContact CG1-CG2 3.27Å; T490-I493 WeakPolarHBondContact O-CG2 3.37Å; T490-I493 PolarHBondContact O-N 2.82Å; I493-R495 VanDerWaalsContact C-N 3.29Å
494L78.1Confident74.7Confident89 Ų89121.5 Ų121.547%0.46662%0.619SS.*THydrogen-bonded Turntrans-83.1-2.3176.5-57.8177.6000113.2L483 V486 M487 S492L483-L494 HydrophobicContact CD1-CD1 3.82Å; L483-L494 HydrophobicContact CD1-CD2 3.75Å; L483-L494 HydrophobicContact CD1-CG 4.46Å; V486-L494 HydrophobicContact CG1-CD1 4.03Å; V486-L494 HydrophobicContact CG1-CD2 3.94Å; V486-L494 HydrophobicContact CG1-CG 3.82Å; M487-L494 HydrophobicContact CG-CD1 3.42Å; M487-L494 VanDerWaalsContact CG-CD1 3.42Å; M487-L494 HydrophobicContact SD-CD1 4.5Å; S492-L494 PolarHBondContact O-N 3.21Å
495R80.2Confident72.5Confident182 Ų182120.9 Ų120.969%0.68763%0.628SS**PPolyproline II helixtrans-89.5116.6178.8-60-179.1-1741750.2110.2S492 I493 P497S492-R495 WeakPolarHBondContact O-CB 3.28Å; S492-R495 PolarHBondContact O-N 2.77Å; S492-R495 VanDerWaalsContact O-N 3.14Å; I493-R495 VanDerWaalsContact C-N 3.29Å; R495-P497 WeakPolarHBondContact O-CD 3.35Å
496V71.8Confident70.5Confident135 Ų135124.3 Ų124.382%0.81865%0.646SS**PPolyproline II helixtrans-60.2126.2161.9-1780000108Y498V496-Y498 PolarHBondContact O-N 3.25Å
497P66.6Low68.2Low106 Ų106132.8 Ų132.869%0.68868%0.681SS**PPolyproline II helixtrans-58128.4177.1-26.235.5000111.4R495 E499R495-P497 WeakPolarHBondContact O-CD 3.35Å; P497-E499 PolarHBondContact O-N 2.69Å
498Y57.8Low66.1Low196 Ų196132.6 Ų132.677%0.76969%0.691SS**  trans-74.995.3172.6179.7-98.1000109.2V496 P500V496-Y498 PolarHBondContact O-N 3.25Å; Y498-P500 HydrophobicContact CD1-CB 4.45Å; Y498-P500 HydrophobicContact CE1-CB 3.95Å; Y498-P500 WeakPolarHBondContact O-CD 3.3Å
499E59.8Low64.3Low153 Ų153135.6 Ų135.672%0.71570%0.701SS**  trans-71108.9166.3-82.4-65.314800109.3P497 S501P497-E499 PolarHBondContact O-N 2.69Å; E499-S501 PolarHBondContact O-N 3.36Å; E499-S501 VanDerWaalsContact O-N 3.12Å
500P58.2Low62.1Low82 Ų82138 Ų13853%0.53273%0.733SS.*  trans-68.6114.3176.829.2-32.9000108.7Y498 R502Y498-P500 HydrophobicContact CD1-CB 4.45Å; Y498-P500 HydrophobicContact CE1-CB 3.95Å; Y498-P500 WeakPolarHBondContact O-CD 3.3Å; P500-R502 PolarHBondContact O-N 3.14Å; P500-R502 VanDerWaalsContact O-N 3.08Å
501S51.7Low60.8Low102 Ų102141.7 Ų141.771%0.71375%0.75SS**  trans-55121.4-179.260.10000110.3E499 K503E499-S501 PolarHBondContact O-N 3.36Å; E499-S501 VanDerWaalsContact O-N 3.12Å; S501-K503 PolarHBondContact O-N 3.21Å
502R59Low59.5Low244 Ų244146 Ų14692%0.92177%0.769SS**  trans-62.499.1-173.2-62.9-173.9-168.2176.25.9109.3P500 A504P500-R502 PolarHBondContact O-N 3.14Å; P500-R502 VanDerWaalsContact O-N 3.08Å; R502-A504 PolarHBondContact O-N 3.04Å
503K52.5Low58.4Low200 Ų200149.7 Ų149.787%0.8778%0.781SS**PPolyproline II helixtrans-54.3124.9176.8-69.5-179.5179.6175.30108.5S501 G505S501-K503 PolarHBondContact O-N 3.21Å; K503-G505 PolarHBondContact O-N 3.47Å; K503-G505 VanDerWaalsContact O-N 3.14Å
504A51.8Low57Low98 Ų98151.1 Ų151.181%0.8179%0.789SS**PPolyproline II helixtrans-53.6121.3-175.900000110.5R502 K506R502-A504 PolarHBondContact O-N 3.04Å; A504-K506 PolarHBondContact O-N 3.34Å
505G46.5Very low55.7Low62 Ų62155 Ų15564%0.63981%0.81SS**PPolyproline II helixtrans-61.1128.5-177.700000110.9K503 F507K503-G505 PolarHBondContact O-N 3.47Å; K503-G505 VanDerWaalsContact O-N 3.14Å; G505-F507 PolarHBondContact O-N 3.09Å
506K48.6Very low54Low205 Ų205153.2 Ų153.289%0.89182%0.818SS**  trans-67.2115.5169.7-67.3179.8179.9178.70108A504 S508A504-K506 PolarHBondContact O-N 3.34Å; K506-S508 PolarHBondContact O-N 3.38Å
507F43.5Very low52.8Low207 Ų207154.5 Ų154.591%0.90882%0.818SS**  trans-63.2107.7169.8-71.7-83.9000109.6G505 K509G505-F507 PolarHBondContact O-N 3.09Å; F507-K509 PolarHBondContact O-N 3.37Å
508S46Very low51.7Low109 Ų109158.2 Ų158.276%0.76283%0.828SS**  trans-66.5124.7163.948.90000108.9K506K506-S508 PolarHBondContact O-N 3.38Å
509K50.5Low51.2Low212 Ų212155.1 Ų155.192%0.92283%0.833SS**  trans-78.7131.2167.3-69.6-176177.5-177.30109.4F507F507-K509 PolarHBondContact O-N 3.37Å
510S46.3Very low50.4Low187 Ų187155.3 Ų155.3100%1.30884%0.843SS**  trans-141.50162.159.40000107.1

Retrieved 510 of 510 residues in 106 ms (Link to these results)