A0A3Q0KDE7_SCHMA Loading...

Sugar nucleotide epimerase related

AlphaFold DB , UniProt , Accession A0A3Q0KDE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 310 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M94.9Very high95.4Very high79 Ų7923.6 Ų23.639%0.38915%0.147SC..  0146.50-62.9-172.8-69.600109.5F3 N26 D55 L214M1-F3 HydrophobicContact CB-CD2 4.35Å; M1-F3 HydrophobicContact CB-CE2 3.83Å; M1-F3 HydrophobicContact CE-CE2 3.97Å; M1-F3 HydrophobicContact CE-CZ 3.86Å; M1-N26 PolarHBondContact O-N 3.26Å; M1-D55 WeakPolarHBondContact CA-OD2 3.29Å; M1-D55 HydrophobicContact CB-CB 4.35Å; M1-L214 HydrophobicContact SD-CB 4.31Å; M1-L214 HydrophobicContact SD-CD1 3.68Å; M1-L214 HydrophobicContact SD-CG 3.81Å
2K97.1Very high95.6Very high25 Ų2524.3 Ų24.311%0.10915%0.149CC..EExtended strand (participates in β ladder)trans-102.5124.7170.4-172175.3-173.7176.50110.8N26 D53 V54 D55 V56K2-N26 CarbonylContact C-O 3.51Å; K2-N26 VanDerWaalsContact CA-O 3.29Å; K2-N26 WeakPolarHBondContact CA-O 3.33Å; K2-N26 HydrophobicContact CB-CB 4.39Å; K2-N26 HydrophobicContact CG-CB 4.29Å; K2-D53 VanDerWaalsContact CB-O 3.31Å; K2-D53 WeakPolarHBondContact CB-O 3.48Å; K2-D53 HydrophobicContact CD-CB 4.32Å; K2-D53 WeakPolarHBondContact CD-O 3.34Å; K2-D53 WeakPolarHBondContact CD-OD1 3.45Å; K2-D53 WeakPolarHBondContact CD-OD2 3.43Å; K2-D53 WeakPolarHBondContact CE-OD1 3.46Å; K2-D53 IonicContact NZ-OD1 3.56Å; K2-D53 PolarHBondContact NZ-OD1 3.16Å; K2-D53 IonicContact NZ-OD2 2.86Å; K2-D53 PolarHBondContact NZ-OD2 3.4Å; K2-V54 HydrophobicContact CD-CG2 4.41Å; K2-D55 PolarHBondContact N-OD2 3.49Å; K2-D55 PolarHBondContact O-N 3.22Å; K2-V56 PolarHBondContact O-N 3.27Å
3F98.3Very high95.7Very high1 Ų122.5 Ų22.50%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-104.9135.3176.7-71.7-100.7000110.5M1 I5 L20 H25 N26 V27 Q28 V56 V58M1-F3 HydrophobicContact CB-CD2 4.35Å; M1-F3 HydrophobicContact CB-CE2 3.83Å; M1-F3 HydrophobicContact CE-CE2 3.97Å; M1-F3 HydrophobicContact CE-CZ 3.86Å; F3-I5 HydrophobicContact CB-CD1 4.37Å; F3-I5 HydrophobicContact CB-CG1 4.18Å; F3-L20 HydrophobicContact CB-CD1 4.32Å; F3-L20 HydrophobicContact CD1-CD1 3.84Å; F3-L20 HydrophobicContact CD2-CD1 4.19Å; F3-L20 HydrophobicContact CD2-CD2 4.41Å; F3-L20 HydrophobicContact CE1-CD1 4.13Å; F3-L20 HydrophobicContact CE1-CD2 4.15Å; F3-L20 HydrophobicContact CE2-CD1 4.47Å; F3-L20 HydrophobicContact CE2-CD2 3.94Å; F3-L20 HydrophobicContact CG-CD1 3.87Å; F3-L20 HydrophobicContact CZ-CD1 4.45Å; F3-L20 HydrophobicContact CZ-CD2 3.8Å; F3-H25 HydrophobicContact CD2-CB 3.88Å; F3-H25 HydrophobicContact CE2-CB 3.89Å; F3-H25 AromaticContact CE2-CD2 3.84Å; F3-H25 AromaticContact CE2-CG 3.66Å; F3-N26 PolarHBondContact N-O 3.24Å; F3-V27 HydrophobicContact CB-CG1 4.48Å; F3-V27 HydrophobicContact CB-CG2 4.37Å; F3-Q28 PolarHBondContact O-N 3.01Å; F3-V56 WeakPolarHBondContact CA-O 3.48Å; F3-V56 HydrophobicContact CD1-CB 3.75Å; F3-V56 HydrophobicContact CD1-CG1 3.82Å; F3-V56 HydrophobicContact CE1-CB 3.78Å; F3-V56 HydrophobicContact CE1-CG1 3.73Å; F3-V56 HydrophobicContact CE1-CG2 4.15Å; F3-V56 HydrophobicContact CG-CB 4.42Å; F3-V56 HydrophobicContact CZ-CB 4.46Å; F3-V56 HydrophobicContact CZ-CG2 4.42Å; F3-V58 HydrophobicContact CD1-CG2 4.21Å
4L98.1Very high95.7Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-109.7116.2166.8-175.567.2000109.2Q28 I30 L40 I45 L50 V54 V56 I57 V58L4-Q28 CarbonylContact C-O 3.53Å; L4-Q28 WeakPolarHBondContact CA-O 3.48Å; L4-Q28 HydrophobicContact CD1-CB 4.09Å; L4-Q28 HydrophobicContact CD1-CG 4.22Å; L4-I30 HydrophobicContact CD1-CD1 3.95Å; L4-I30 HydrophobicContact CD1-CG1 3.68Å; L4-I30 HydrophobicContact CD2-CD1 3.81Å; L4-I30 HydrophobicContact CD2-CG1 4.46Å; L4-I30 HydrophobicContact CG-CD1 3.72Å; L4-I30 HydrophobicContact CG-CG1 4.01Å; L4-L40 HydrophobicContact CD1-CD1 4.13Å; L4-I45 HydrophobicContact CD2-CD1 4.3Å; L4-L50 HydrophobicContact CD2-CD2 3.37Å; L4-V54 HydrophobicContact CB-CG1 3.77Å; L4-V54 HydrophobicContact CB-CG2 4.03Å; L4-V54 HydrophobicContact CD2-CG2 4.4Å; L4-V56 PolarHBondContact N-O 2.82Å; L4-I57 HydrophobicContact CB-CG1 4.32Å; L4-I57 HydrophobicContact CD2-CG1 4.42Å; L4-I57 WeakPolarHBondContact O-CA 3.48Å; L4-V58 PolarHBondContact O-N 2.75Å
5I98.1Very high95.8Very high0 Ų031.1 Ų31.10%017%0.172CC..EExtended strand (participates in β ladder)trans-115.6106.2-170.9-53.2-175000111.1F3 L16 V17 L20 V27 Q28 V29 I30 V58 L60F3-I5 HydrophobicContact CB-CD1 4.37Å; F3-I5 HydrophobicContact CB-CG1 4.18Å; I5-L16 HydrophobicContact CD1-CD2 3.92Å; I5-L16 HydrophobicContact CD1-CG 4.11Å; I5-V17 HydrophobicContact CD1-CG2 3.89Å; I5-L20 HydrophobicContact CD1-CD1 3.76Å; I5-V27 HydrophobicContact CD1-CG1 3.52Å; I5-V27 HydrophobicContact CG1-CG1 4.01Å; I5-Q28 PolarHBondContact N-O 3.06Å; I5-V29 CarbonylContact O-C 3.57Å; I5-V29 WeakPolarHBondContact O-CA 3.43Å; I5-I30 PolarHBondContact O-N 2.87Å; I5-V58 CarbonylContact C-O 3.49Å; I5-V58 VanDerWaalsContact CA-O 3.25Å; I5-V58 WeakPolarHBondContact CA-O 3.14Å; I5-V58 HydrophobicContact CG1-CB 4.34Å; I5-L60 HydrophobicContact CG2-CD1 4.44Å
6G97.7Very high96Very high0 Ų029.2 Ų29.20%016%0.162CC..EExtended strand (participates in β ladder)trans-71.1129.916700000110.7G8 V58 L60 S61G6-G8 VanDerWaalsContact C-N 3.32Å; G6-G8 PolarHBondContact O-N 3.49Å; G6-V58 PolarHBondContact N-O 2.8Å; G6-L60 WeakPolarHBondContact O-CA 3.05Å; G6-L60 WeakPolarHBondContact O-CB 3.44Å; G6-L60 PolarHBondContact O-N 2.91Å; G6-S61 WeakPolarHBondContact CA-OG 3.3Å
7G93.9Very high96Very high14 Ų1428.1 Ų28.114%0.14416%0.156CC..THydrogen-bonded Turntrans76.119.8-18000000113.9T9 G10 I30 S61G7-T9 PolarHBondContact O-N 3.24Å; G7-G10 PolarHBondContact O-N 3.37Å; G7-I30 PolarHBondContact N-O 2.96Å; G7-S61 PolarHBondContact N-OG 3.2Å
8G92.1Very high96.1Very high5 Ų531.1 Ų31.15%0.05218%0.179CC..THydrogen-bonded Turntrans-59.1-11.7177.800000115.1G6 G13 R14G6-G8 VanDerWaalsContact C-N 3.32Å; G6-G8 PolarHBondContact O-N 3.49Å; G8-G13 CarbonylContact O-C 3.56Å; G8-R14 WeakPolarHBondContact O-CA 3.18Å; G8-R14 WeakPolarHBondContact O-CG 3.07Å; G8-R14 PolarHBondContact O-N 2.86Å
9T92.1Very high96.2Very high63 Ų6331.2 Ų31.239%0.38718%0.182SC..THydrogen-bonded Turntrans-88.9-6.7175.258.30000113.8G7 R14 V29G7-T9 PolarHBondContact O-N 3.24Å; T9-R14 PolarHBondContact O-NH1 3.05Å; T9-V29 HydrophobicContact CG2-CG1 4.37Å
10G93.1Very high96.3Very high30 Ų3029.7 Ų29.731%0.30917%0.173SC..SBendtrans-77.4-177.7177.700000114G7 R14G7-G10 PolarHBondContact O-N 3.37Å; G10-R14 WeakPolarHBondContact O-CB 3.31Å; G10-R14 VanDerWaalsContact O-CG 3.27Å; G10-R14 WeakPolarHBondContact O-CG 3.3Å; G10-R14 PolarHBondContact O-N 2.93Å; G10-R14 PolarHBondContact O-NH1 3.21Å
11L94.4Very high96.3Very high43 Ų4332.8 Ų32.823%0.22518%0.182CC..Hα-helixtrans-57.8-59.2-179.6178.367.6000111.8V166 D170 L201L11-V166 HydrophobicContact CD2-CG1 4.35Å; L11-D170 HydrophobicContact CD1-CB 3.99Å; L11-L201 HydrophobicContact CD1-CD2 4.03Å; L11-L201 HydrophobicContact CG-CD1 4.44Å; L11-L201 HydrophobicContact CG-CD2 4.24Å
12I97.3Very high96.4Very high32 Ų3233.4 Ų33.416%0.16419%0.194CC..Hα-helixtrans-65-45.6179-55.8170.6000110R14 S15 L16 L60 V166 L201 M204 I208I12-R14 PolarHBondContact O-N 3.42Å; I12-S15 PolarHBondContact O-N 2.75Å; I12-L16 WeakPolarHBondContact O-CB 3.26Å; I12-L16 PolarHBondContact O-N 3.07Å; I12-L60 HydrophobicContact CB-CD1 4.19Å; I12-L60 HydrophobicContact CG2-CD1 3.81Å; I12-V166 HydrophobicContact CD1-CG2 3.99Å; I12-V166 HydrophobicContact CG1-CG2 4.41Å; I12-L201 HydrophobicContact CG1-CD1 4.23Å; I12-M204 HydrophobicContact CD1-CE 4.42Å; I12-M204 HydrophobicContact CD1-CG 4.12Å; I12-M204 HydrophobicContact CG1-CG 4.3Å; I12-M204 HydrophobicContact CG2-CG 3.95Å; I12-I208 HydrophobicContact CG2-CD1 3.7Å
13G96.9Very high96.3Very high1 Ų136.2 Ų36.21%0.0121%0.213CC..Hα-helixtrans-56.3-46.4-177.700000113.7G8 S15 L16 V17G8-G13 CarbonylContact O-C 3.56Å; G13-S15 PolarHBondContact O-N 2.82Å; G13-L16 PolarHBondContact O-N 2.62Å; G13-V17 WeakPolarHBondContact O-CB 3.43Å; G13-V17 WeakPolarHBondContact O-CG2 3.21Å; G13-V17 PolarHBondContact O-N 2.74Å
14R95.7Very high96.2Very high132 Ų13239.5 Ų39.550%0.49825%0.247SC..Hα-helixtrans-64.2-44-179.7-72.5-174.1-48.6-96.82.3111.9G8 T9 G10 I12 V17 S18G8-R14 WeakPolarHBondContact O-CA 3.18Å; G8-R14 WeakPolarHBondContact O-CG 3.07Å; G8-R14 PolarHBondContact O-N 2.86Å; T9-R14 PolarHBondContact O-NH1 3.05Å; G10-R14 WeakPolarHBondContact O-CB 3.31Å; G10-R14 VanDerWaalsContact O-CG 3.27Å; G10-R14 WeakPolarHBondContact O-CG 3.3Å; G10-R14 PolarHBondContact O-N 2.93Å; G10-R14 PolarHBondContact O-NH1 3.21Å; I12-R14 PolarHBondContact O-N 3.42Å; R14-V17 PolarHBondContact O-N 3.29Å; R14-S18 WeakPolarHBondContact O-CB 3.26Å; R14-S18 PolarHBondContact O-N 2.86Å
15S97.4Very high96.2Very high42 Ų4241.9 Ų41.929%0.29426%0.258SS..Hα-helixtrans-65.4-40.9178.2-64.20000111.6I12 G13 S18 S19 L201I12-S15 PolarHBondContact O-N 2.75Å; G13-S15 PolarHBondContact O-N 2.82Å; S15-S18 PolarHBondContact O-N 3.27Å; S15-S19 WeakPolarHBondContact O-CB 3.45Å; S15-S19 PolarHBondContact O-N 3.5Å; S15-L201 WeakPolarHBondContact OG-CD2 3.38Å
16L98.3Very high96.1Very high0 Ų046.2 Ų46.20%028%0.281CS..Hα-helixtrans-63.9-48.3175.5179.365.3000112.2I5 I12 G13 S18 S19 L20 V58 L60 V205 I208 E209I5-L16 HydrophobicContact CD1-CD2 3.92Å; I5-L16 HydrophobicContact CD1-CG 4.11Å; I12-L16 WeakPolarHBondContact O-CB 3.26Å; I12-L16 PolarHBondContact O-N 3.07Å; G13-L16 PolarHBondContact O-N 2.62Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.82Å; L16-S19 PolarHBondContact O-N 2.97Å; L16-L20 HydrophobicContact CD1-CD1 3.76Å; L16-L20 HydrophobicContact CD1-CD2 4.49Å; L16-L20 HydrophobicContact CD1-CG 3.9Å; L16-L20 HydrophobicContact CD2-CD1 4.44Å; L16-L20 HydrophobicContact CG-CD1 3.75Å; L16-L20 HydrophobicContact CG-CG 4.28Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 3.02Å; L16-V58 HydrophobicContact CD2-CG1 4.04Å; L16-L60 HydrophobicContact CD2-CD1 4.03Å; L16-V205 HydrophobicContact CB-CG2 4.46Å; L16-V205 HydrophobicContact CD1-CG1 4.09Å; L16-I208 HydrophobicContact CD1-CB 4.02Å; L16-I208 HydrophobicContact CD1-CG2 3.79Å; L16-I208 HydrophobicContact CD2-CB 4.43Å; L16-I208 HydrophobicContact CD2-CD1 4.03Å; L16-I208 HydrophobicContact CD2-CG2 3.69Å; L16-I208 HydrophobicContact CG-CG2 4.41Å; L16-E209 HydrophobicContact CD1-CG 4.19Å
17V97.3Very high96.1Very high11 Ų1146.6 Ų46.67%0.06728%0.283CS..Hα-helixtrans-57.6-45.3177.1170.20000110.5I5 G13 R14 R21 V27 V29I5-V17 HydrophobicContact CD1-CG2 3.89Å; G13-V17 WeakPolarHBondContact O-CB 3.43Å; G13-V17 WeakPolarHBondContact O-CG2 3.21Å; G13-V17 PolarHBondContact O-N 2.74Å; R14-V17 PolarHBondContact O-N 3.29Å; V17-R21 HydrophobicContact CG1-CG 4.49Å; V17-R21 WeakPolarHBondContact O-CB 3.27Å; V17-R21 VanDerWaalsContact O-CG 3.26Å; V17-R21 WeakPolarHBondContact O-CG 3.33Å; V17-R21 PolarHBondContact O-N 3.14Å; V17-V27 HydrophobicContact CB-CG1 4.33Å; V17-V27 HydrophobicContact CG1-CG1 4.08Å; V17-V27 HydrophobicContact CG2-CG1 3.91Å; V17-V29 HydrophobicContact CG1-CG2 4.45Å; V17-V29 HydrophobicContact CG2-CG2 3.64Å
18S96.8Very high96.2Very high81 Ų8147.2 Ų47.257%0.56628%0.283SS*.Hα-helixtrans-61.7-45.4177.8-172.30000111.7R14 S15 L16 S22R14-S18 WeakPolarHBondContact O-CB 3.26Å; R14-S18 PolarHBondContact O-N 2.86Å; S15-S18 PolarHBondContact O-N 3.27Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.82Å; S18-S22 WeakPolarHBondContact O-CB 3.35Å; S18-S22 PolarHBondContact O-N 2.91Å; S18-S22 VanDerWaalsContact O-N 3.1Å
19S97.8Very high96.4Very high33 Ų3347.2 Ų47.223%0.23128%0.282CS..Hα-helixtrans-65.4-51-178.5-1660000112S15 L16 R21 S22 T23 E209S15-S19 WeakPolarHBondContact O-CB 3.45Å; S15-S19 PolarHBondContact O-N 3.5Å; L16-S19 PolarHBondContact O-N 2.97Å; S19-R21 PolarHBondContact O-N 3.08Å; S19-S22 WeakPolarHBondContact O-CB 3.46Å; S19-S22 PolarHBondContact O-N 3.41Å; S19-S22 PolarHBondContact O-OG 2.76Å; S19-T23 PolarHBondContact O-N 3.03Å; S19-E209 WeakPolarHBondContact CB-OE1 3.41Å; S19-E209 PolarHBondContact OG-OE1 3.1Å
20L97.8Very high96.7Very high2 Ų244.2 Ų44.21%0.0126%0.263CS..Hα-helixtrans-61.1-39.3178.2-69.2172.7000113.2F3 I5 L16 S22 T23 G24 H25 V27 E209F3-L20 HydrophobicContact CB-CD1 4.32Å; F3-L20 HydrophobicContact CD1-CD1 3.84Å; F3-L20 HydrophobicContact CD2-CD1 4.19Å; F3-L20 HydrophobicContact CD2-CD2 4.41Å; F3-L20 HydrophobicContact CE1-CD1 4.13Å; F3-L20 HydrophobicContact CE1-CD2 4.15Å; F3-L20 HydrophobicContact CE2-CD1 4.47Å; F3-L20 HydrophobicContact CE2-CD2 3.94Å; F3-L20 HydrophobicContact CG-CD1 3.87Å; F3-L20 HydrophobicContact CZ-CD1 4.45Å; F3-L20 HydrophobicContact CZ-CD2 3.8Å; I5-L20 HydrophobicContact CD1-CD1 3.76Å; L16-L20 HydrophobicContact CD1-CD1 3.76Å; L16-L20 HydrophobicContact CD1-CD2 4.49Å; L16-L20 HydrophobicContact CD1-CG 3.9Å; L16-L20 HydrophobicContact CD2-CD1 4.44Å; L16-L20 HydrophobicContact CG-CD1 3.75Å; L16-L20 HydrophobicContact CG-CG 4.28Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 3.02Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-T23 PolarHBondContact O-N 3.1Å; L20-T23 PolarHBondContact O-OG1 3.32Å; L20-G24 PolarHBondContact O-N 3Å; L20-H25 HydrophobicContact CB-CB 4.27Å; L20-H25 VanDerWaalsContact O-CB 3.3Å; L20-H25 WeakPolarHBondContact O-CB 3.39Å; L20-H25 PolarHBondContact O-N 3.21Å; L20-V27 HydrophobicContact CB-CG2 3.66Å; L20-V27 HydrophobicContact CD1-CG2 4.27Å; L20-E209 HydrophobicContact CD2-CG 3.99Å
21R96.8Very high96.7Very high95 Ų9543 Ų4336%0.35825%0.25SS..Hα-helixtrans-65-37.7174.8-75.1175.9176176.4-3.1111.1V17 S19 T23 G24 V27 E36V17-R21 HydrophobicContact CG1-CG 4.49Å; V17-R21 WeakPolarHBondContact O-CB 3.27Å; V17-R21 VanDerWaalsContact O-CG 3.26Å; V17-R21 WeakPolarHBondContact O-CG 3.33Å; V17-R21 PolarHBondContact O-N 3.14Å; S19-R21 PolarHBondContact O-N 3.08Å; R21-T23 VanDerWaalsContact C-N 3.25Å; R21-T23 PolarHBondContact O-N 3.3Å; R21-G24 PolarHBondContact O-N 3.43Å; R21-G24 VanDerWaalsContact O-N 3.14Å; R21-V27 HydrophobicContact CG-CB 4.09Å; R21-V27 HydrophobicContact CG-CG2 3.91Å; R21-V27 PolarHBondContact NH2-O 2.77Å; R21-E36 IonicContact CZ-OE2 2.75Å; R21-E36 IonicContact NH1-OE1 2.69Å; R21-E36 PolarHBondContact NH1-OE1 3.34Å; R21-E36 IonicContact NH1-OE2 2.69Å; R21-E36 PolarHBondContact NH1-OE2 2.97Å; R21-E36 IonicContact NH2-OE2 2.62Å; R21-E36 PolarHBondContact NH2-OE2 3.37Å
22S97.2Very high96.5Very high92 Ų9249 Ų4964%0.64327%0.27SS*.Hα-helixtrans-67.1-24.9179.278.50000113.6S18 S19 L20S18-S22 WeakPolarHBondContact O-CB 3.35Å; S18-S22 PolarHBondContact O-N 2.91Å; S18-S22 VanDerWaalsContact O-N 3.1Å; S19-S22 WeakPolarHBondContact O-CB 3.46Å; S19-S22 PolarHBondContact O-N 3.41Å; S19-S22 PolarHBondContact O-OG 2.76Å; L20-S22 VanDerWaalsContact C-N 3.31Å
23T95.5Very high96.1Very high84 Ų8455.6 Ų55.652%0.51530%0.297SS..THydrogen-bonded Turntrans-93.29.717559.30000113.4S19 L20 R21 H25S19-T23 PolarHBondContact O-N 3.03Å; L20-T23 PolarHBondContact O-N 3.1Å; L20-T23 PolarHBondContact O-OG1 3.32Å; R21-T23 VanDerWaalsContact C-N 3.25Å; R21-T23 PolarHBondContact O-N 3.3Å; T23-H25 PolarHBondContact OG1-CD2 3.42Å; T23-H25 PolarHBondContact OG1-NE2 2.82Å
24G96.3Very high95.7Very high69 Ų6958.3 Ų58.371%0.71132%0.315SS*.THydrogen-bonded Turntrans85.412.4173.700000115.2L20 R21L20-G24 PolarHBondContact O-N 3Å; R21-G24 PolarHBondContact O-N 3.43Å; R21-G24 VanDerWaalsContact O-N 3.14Å
25H97.1Very high95.2Very high50 Ų5060.8 Ų60.823%0.23133%0.329CS..  trans-78148.7172.9-57.2-50.8000112.1F3 L20 T23 V27F3-H25 HydrophobicContact CD2-CB 3.88Å; F3-H25 HydrophobicContact CE2-CB 3.89Å; F3-H25 AromaticContact CE2-CD2 3.84Å; F3-H25 AromaticContact CE2-CG 3.66Å; L20-H25 HydrophobicContact CB-CB 4.27Å; L20-H25 VanDerWaalsContact O-CB 3.3Å; L20-H25 WeakPolarHBondContact O-CB 3.39Å; L20-H25 PolarHBondContact O-N 3.21Å; T23-H25 PolarHBondContact OG1-CD2 3.42Å; T23-H25 PolarHBondContact OG1-NE2 2.82Å; H25-V27 HydrophobicContact CB-CG2 4.48Å
26N96.5Very high94.7Very high92 Ų9263.3 Ų63.349%0.49234%0.336SS..EExtended strand (participates in β ladder)trans-84.9123.9171-174.6-16.2000108.5M1 K2 F3M1-N26 PolarHBondContact O-N 3.26Å; K2-N26 CarbonylContact C-O 3.51Å; K2-N26 VanDerWaalsContact CA-O 3.29Å; K2-N26 WeakPolarHBondContact CA-O 3.33Å; K2-N26 HydrophobicContact CB-CB 4.39Å; K2-N26 HydrophobicContact CG-CB 4.29Å; F3-N26 PolarHBondContact N-O 3.24Å
27V97.1Very high94.1Very high7 Ų773.3 Ų73.34%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-126.4121.3-174.9-174.50000110.6F3 I5 V17 L20 R21 H25F3-V27 HydrophobicContact CB-CG1 4.48Å; F3-V27 HydrophobicContact CB-CG2 4.37Å; I5-V27 HydrophobicContact CD1-CG1 3.52Å; I5-V27 HydrophobicContact CG1-CG1 4.01Å; V17-V27 HydrophobicContact CB-CG1 4.33Å; V17-V27 HydrophobicContact CG1-CG1 4.08Å; V17-V27 HydrophobicContact CG2-CG1 3.91Å; L20-V27 HydrophobicContact CB-CG2 3.66Å; L20-V27 HydrophobicContact CD1-CG2 4.27Å; R21-V27 HydrophobicContact CG-CB 4.09Å; R21-V27 HydrophobicContact CG-CG2 3.91Å; R21-V27 PolarHBondContact NH2-O 2.77Å; H25-V27 HydrophobicContact CB-CG2 4.48Å
28Q96.5Very high93.7Very high27 Ų2778 Ų7813%0.12641%0.405CS..EExtended strand (participates in β ladder)trans-112.2131.7173.9-165.5166.310.900109.8F3 L4 I5 N38 L40F3-Q28 PolarHBondContact O-N 3.01Å; L4-Q28 CarbonylContact C-O 3.53Å; L4-Q28 WeakPolarHBondContact CA-O 3.48Å; L4-Q28 HydrophobicContact CD1-CB 4.09Å; L4-Q28 HydrophobicContact CD1-CG 4.22Å; I5-Q28 PolarHBondContact N-O 3.06Å; Q28-N38 WeakPolarHBondContact CG-O 3.13Å; Q28-N38 PolarHBondContact NE2-O 3.4Å; Q28-L40 HydrophobicContact CG-CD1 4.24Å; Q28-L40 HydrophobicContact CG-CG 4.21Å; Q28-L40 VanDerWaalsContact NE2-CG 3.27Å
29V97.5Very high93.5Very high6 Ų675 Ų754%0.03638%0.382CS..EExtended strand (participates in β ladder)trans-104.7136.2-176.2174.40000110.5I5 T9 V17 D39 L40I5-V29 CarbonylContact O-C 3.57Å; I5-V29 WeakPolarHBondContact O-CA 3.43Å; T9-V29 HydrophobicContact CG2-CG1 4.37Å; V17-V29 HydrophobicContact CG1-CG2 4.45Å; V17-V29 HydrophobicContact CG2-CG2 3.64Å; V29-D39 CarbonylContact O-C 3.52Å; V29-D39 WeakPolarHBondContact O-CA 3.14Å; V29-L40 PolarHBondContact O-N 2.82Å
30I97.1Very high93.4Very high0 Ų074.8 Ų74.80%038%0.378CS..EExtended strand (participates in β ladder)trans-98.2126.1165.5-47.5161.8000108.3L4 I5 G7 L40 W42 I45 L96L4-I30 HydrophobicContact CD1-CD1 3.95Å; L4-I30 HydrophobicContact CD1-CG1 3.68Å; L4-I30 HydrophobicContact CD2-CD1 3.81Å; L4-I30 HydrophobicContact CD2-CG1 4.46Å; L4-I30 HydrophobicContact CG-CD1 3.72Å; L4-I30 HydrophobicContact CG-CG1 4.01Å; I5-I30 PolarHBondContact O-N 2.87Å; G7-I30 PolarHBondContact N-O 2.96Å; I30-L40 CarbonylContact C-O 3.59Å; I30-L40 VanDerWaalsContact CA-O 3.3Å; I30-L40 WeakPolarHBondContact CA-O 3.25Å; I30-L40 HydrophobicContact CG1-CB 4.38Å; I30-W42 HydrophobicContact CB-CH2 4.46Å; I30-W42 HydrophobicContact CB-CZ2 4.26Å; I30-W42 HydrophobicContact CD1-CH2 4.32Å; I30-W42 HydrophobicContact CD1-CZ3 4.3Å; I30-W42 HydrophobicContact CG2-CD2 3.61Å; I30-W42 HydrophobicContact CG2-CE3 3.86Å; I30-W42 HydrophobicContact CG2-CG 4.06Å; I30-W42 HydrophobicContact CG2-CH2 4.16Å; I30-W42 HydrophobicContact CG2-CZ2 3.88Å; I30-W42 HydrophobicContact CG2-CZ3 4.15Å; I30-I45 HydrophobicContact CD1-CD1 3.97Å; I30-I45 HydrophobicContact CD1-CG1 3.84Å; I30-I45 HydrophobicContact CG1-CD1 4.16Å; I30-I45 HydrophobicContact CG1-CG1 3.97Å; I30-I45 HydrophobicContact CG2-CG1 4.07Å; I30-L96 HydrophobicContact CD1-CD2 3.88Å
31S93.5Very high93.3Very high5 Ų576.2 Ų76.24%0.03539%0.389CS..EExtended strand (participates in β ladder)trans-144.3161.617776.40000112.5K33 P34 L40 S41S31-K33 PolarHBondContact O-N 3.3Å; S31-K33 PolarHBondContact OG-O 2.89Å; S31-P34 WeakPolarHBondContact OG-CA 3.49Å; S31-L40 PolarHBondContact N-O 2.86Å; S31-S41 WeakPolarHBondContact O-CA 3.49Å
32R90Very high93.2Very high168 Ų16873.4 Ų73.463%0.63438%0.378SS*.SBendtrans-62.5-31.8175.4-68.9178.7-70177.70.6112.5E84R32-E84 IonicContact NH1-OE1 3.03Å; R32-E84 PolarHBondContact NH1-OE1 2.69Å
33K89.4Confident93.1Very high171 Ų17174.9 Ų74.974%0.74338%0.379SS*.SBendtrans-136.685.4-179.6-66.2-173.4179.7-175.90108.1S31 K35S31-K33 PolarHBondContact O-N 3.3Å; S31-K33 PolarHBondContact OG-O 2.89Å; K33-K35 PolarHBondContact O-N 2.77Å
34P88.7Confident93.1Very high58 Ų5872.5 Ų72.538%0.37737%0.365SS..  trans-48134.7176.1-30.338.4000111.1S31 D39S31-P34 WeakPolarHBondContact OG-CA 3.49Å; P34-D39 HydrophobicContact CB-CB 3.64Å
35K85.7Confident93Very high183 Ų18369.2 Ų69.280%0.79633%0.331SS*.  trans-114.6-36.9-179.4-69.2-171178-173.80112.2K33 D39K33-K35 PolarHBondContact O-N 2.77Å; K35-D39 PolarHBondContact N-OD2 2.99Å; K35-D39 VanDerWaalsContact N-OD2 3.07Å
36E86.9Confident92.9Very high96 Ų9674.4 Ų74.445%0.44935%0.353SS..SBendtrans-92.4155.9177.1-58.9-176.317800111R21 N38 D39R21-E36 IonicContact CZ-OE2 2.75Å; R21-E36 IonicContact NH1-OE1 2.69Å; R21-E36 PolarHBondContact NH1-OE1 3.34Å; R21-E36 IonicContact NH1-OE2 2.69Å; R21-E36 PolarHBondContact NH1-OE2 2.97Å; R21-E36 IonicContact NH2-OE2 2.62Å; R21-E36 PolarHBondContact NH2-OE2 3.37Å; E36-N38 PolarHBondContact O-N 3.23Å; E36-N38 VanDerWaalsContact O-N 3.1Å; E36-D39 PolarHBondContact N-OD2 3.4Å; E36-D39 WeakPolarHBondContact O-CB 3.17Å; E36-D39 PolarHBondContact O-N 2.8Å
37K85Confident92.9Very high209 Ų20978.5 Ų78.591%0.90937%0.367SS*.THydrogen-bonded Turntrans-54.5-32.3-177.7-175.9179.3178-177.70113.6
38N87.8Confident92.8Very high110 Ų11083.4 Ų83.459%0.58839%0.393SS*.THydrogen-bonded Turntrans-98.1-4.1-177-64.2-21.1000113Q28 E36Q28-N38 WeakPolarHBondContact CG-O 3.13Å; Q28-N38 PolarHBondContact NE2-O 3.4Å; E36-N38 PolarHBondContact O-N 3.23Å; E36-N38 VanDerWaalsContact O-N 3.1Å
39D93.4Very high92.7Very high18 Ų1883 Ų8310%0.09640%0.396CS..  trans-66.4143.8177.4-71.4-9.8000110.5V29 P34 K35 E36V29-D39 CarbonylContact O-C 3.52Å; V29-D39 WeakPolarHBondContact O-CA 3.14Å; P34-D39 HydrophobicContact CB-CB 3.64Å; K35-D39 PolarHBondContact N-OD2 2.99Å; K35-D39 VanDerWaalsContact N-OD2 3.07Å; E36-D39 PolarHBondContact N-OD2 3.4Å; E36-D39 WeakPolarHBondContact O-CB 3.17Å; E36-D39 PolarHBondContact O-N 2.8Å
40L95.8Very high92.6Very high29 Ų2984 Ų8415%0.15240%0.401CS..EExtended strand (participates in β ladder)trans-105.1147.5177.7-60.2176000110.4L4 Q28 V29 I30 S31 I45 P51L4-L40 HydrophobicContact CD1-CD1 4.13Å; Q28-L40 HydrophobicContact CG-CD1 4.24Å; Q28-L40 HydrophobicContact CG-CG 4.21Å; Q28-L40 VanDerWaalsContact NE2-CG 3.27Å; V29-L40 PolarHBondContact O-N 2.82Å; I30-L40 CarbonylContact C-O 3.59Å; I30-L40 VanDerWaalsContact CA-O 3.3Å; I30-L40 WeakPolarHBondContact CA-O 3.25Å; I30-L40 HydrophobicContact CG1-CB 4.38Å; S31-L40 PolarHBondContact N-O 2.86Å; L40-I45 HydrophobicContact CB-CD1 4.4Å; L40-I45 HydrophobicContact CB-CG1 4.28Å; L40-I45 HydrophobicContact CD1-CD1 3.56Å; L40-I45 HydrophobicContact CD1-CG1 4.34Å; L40-P51 HydrophobicContact CD1-CG 4.05Å
41S95.6Very high92.5Very high32 Ų3285.5 Ų85.522%0.22441%0.41CS..EExtended strand (participates in β ladder)trans-87.5158.5164.466.60000110.7S31 D43 S44 I45S31-S41 WeakPolarHBondContact O-CA 3.49Å; S41-D43 PolarHBondContact O-N 2.72Å; S41-S44 WeakPolarHBondContact O-CB 3.35Å; S41-S44 PolarHBondContact O-N 2.83Å; S41-S44 VanDerWaalsContact O-N 3.13Å; S41-S44 WeakPolarHBondContact OG-CB 3.36Å; S41-S44 PolarHBondContact OG-N 3.49Å; S41-I45 PolarHBondContact O-N 2.96Å; S41-I45 VanDerWaalsContact O-N 3.07Å
42W95.1Very high92.4Very high36 Ų3690.2 Ų90.214%0.13644%0.443CS..Hα-helixtrans-57.8-36.7169.8-70.6108.2000112.2I30 S44 I45 K46 S61 T92 L95 L96I30-W42 HydrophobicContact CB-CH2 4.46Å; I30-W42 HydrophobicContact CB-CZ2 4.26Å; I30-W42 HydrophobicContact CD1-CH2 4.32Å; I30-W42 HydrophobicContact CD1-CZ3 4.3Å; I30-W42 HydrophobicContact CG2-CD2 3.61Å; I30-W42 HydrophobicContact CG2-CE3 3.86Å; I30-W42 HydrophobicContact CG2-CG 4.06Å; I30-W42 HydrophobicContact CG2-CH2 4.16Å; I30-W42 HydrophobicContact CG2-CZ2 3.88Å; I30-W42 HydrophobicContact CG2-CZ3 4.15Å; W42-S44 VanDerWaalsContact C-N 3.35Å; W42-I45 PolarHBondContact O-N 2.79Å; W42-K46 WeakPolarHBondContact O-CB 3.48Å; W42-K46 PolarHBondContact O-N 3.24Å; W42-S61 WeakPolarHBondContact CZ2-OG 3.43Å; W42-T92 HydrophobicContact CD2-CG2 3.98Å; W42-T92 HydrophobicContact CE3-CG2 4.18Å; W42-T92 HydrophobicContact CH2-CG2 4.07Å; W42-T92 HydrophobicContact CZ2-CG2 3.89Å; W42-T92 HydrophobicContact CZ3-CG2 4.19Å; W42-L95 HydrophobicContact CE3-CD2 3.96Å; W42-L95 HydrophobicContact CZ3-CD2 4.48Å; W42-L96 HydrophobicContact CH2-CD1 3.86Å; W42-L96 HydrophobicContact CH2-CG 4.3Å; W42-L96 HydrophobicContact CZ3-CD1 3.99Å; W42-L96 HydrophobicContact CZ3-CD2 4.16Å; W42-L96 HydrophobicContact CZ3-CG 3.9Å
43D94.3Very high92.7Very high123 Ų12386.1 Ų86.166%0.65843%0.434SS*.Hα-helixtrans-65.5-37.7175.3-62.6-37.2000112.2S41 K46 K47S41-D43 PolarHBondContact O-N 2.72Å; D43-K46 PolarHBondContact O-N 3.05Å; D43-K47 VanDerWaalsContact O-CB 3.32Å; D43-K47 WeakPolarHBondContact O-CB 3.46Å; D43-K47 PolarHBondContact O-N 3.46Å
44S95Very high93Very high33 Ų3378.1 Ų78.123%0.23140%0.399CS..Hα-helixtrans-63.6-44.8174.9-173.70000111.1S41 W42 K47 N48S41-S44 WeakPolarHBondContact O-CB 3.35Å; S41-S44 PolarHBondContact O-N 2.83Å; S41-S44 VanDerWaalsContact O-N 3.13Å; S41-S44 WeakPolarHBondContact OG-CB 3.36Å; S41-S44 PolarHBondContact OG-N 3.49Å; W42-S44 VanDerWaalsContact C-N 3.35Å; S44-K47 PolarHBondContact O-N 2.96Å; S44-N48 VanDerWaalsContact O-CB 3.3Å; S44-N48 WeakPolarHBondContact O-CB 3.35Å; S44-N48 PolarHBondContact O-N 2.73Å; S44-N48 PolarHBondContact O-ND2 2.92Å; S44-N48 PolarHBondContact OG-ND2 3.23Å
45I95.8Very high93.4Very high0 Ų077.2 Ų77.20%039%0.391CS..Hα-helixtrans-62.4-43.9175.4-68.5-68.7000111.2L4 I30 L40 S41 W42 K47 G49 L95 L96 L99L4-I45 HydrophobicContact CD2-CD1 4.3Å; I30-I45 HydrophobicContact CD1-CD1 3.97Å; I30-I45 HydrophobicContact CD1-CG1 3.84Å; I30-I45 HydrophobicContact CG1-CD1 4.16Å; I30-I45 HydrophobicContact CG1-CG1 3.97Å; I30-I45 HydrophobicContact CG2-CG1 4.07Å; L40-I45 HydrophobicContact CB-CD1 4.4Å; L40-I45 HydrophobicContact CB-CG1 4.28Å; L40-I45 HydrophobicContact CD1-CD1 3.56Å; L40-I45 HydrophobicContact CD1-CG1 4.34Å; S41-I45 PolarHBondContact O-N 2.96Å; S41-I45 VanDerWaalsContact O-N 3.07Å; W42-I45 PolarHBondContact O-N 2.79Å; I45-K47 VanDerWaalsContact C-N 3.32Å; I45-K47 PolarHBondContact O-N 3.42Å; I45-G49 VanDerWaalsContact O-CA 3.23Å; I45-G49 WeakPolarHBondContact O-CA 3.26Å; I45-G49 PolarHBondContact O-N 2.92Å; I45-L95 HydrophobicContact CG2-CD2 4.06Å; I45-L95 HydrophobicContact CG2-CG 4.23Å; I45-L96 HydrophobicContact CG2-CD2 4.24Å; I45-L99 HydrophobicContact CG2-CD1 3.4Å; I45-L99 VanDerWaalsContact CG2-CD1 3.4Å
46K95.1Very high94.1Very high159 Ų15968.5 Ų68.569%0.69135%0.353SS*.Hα-helixtrans-62.8-38.3178.2-173.8177.4179.8178.50112.5W42 D43 L95W42-K46 WeakPolarHBondContact O-CB 3.48Å; W42-K46 PolarHBondContact O-N 3.24Å; D43-K46 PolarHBondContact O-N 3.05Å; K46-L95 HydrophobicContact CB-CD1 4.35Å; K46-L95 HydrophobicContact CB-CD2 4.22Å; K46-L95 HydrophobicContact CG-CD1 4.44Å
47K95.3Very high94.6Very high179 Ų17963.9 Ų63.978%0.77833%0.332SS*.Hα-helixtrans-80.5-43.2-178.1-175-179.3177.1-179.20113.1D43 S44 I45D43-K47 VanDerWaalsContact O-CB 3.32Å; D43-K47 WeakPolarHBondContact O-CB 3.46Å; D43-K47 PolarHBondContact O-N 3.46Å; S44-K47 PolarHBondContact O-N 2.96Å; I45-K47 VanDerWaalsContact C-N 3.32Å; I45-K47 PolarHBondContact O-N 3.42Å
48N95Very high95.3Very high110 Ų11054 Ų5459%0.58829%0.289SS*.Hα-helixtrans-106.8-10.9-167.4-54.5-45.1000113.3S44S44-N48 VanDerWaalsContact O-CB 3.3Å; S44-N48 WeakPolarHBondContact O-CB 3.35Å; S44-N48 PolarHBondContact O-N 2.73Å; S44-N48 PolarHBondContact O-ND2 2.92Å; S44-N48 PolarHBondContact OG-ND2 3.23Å
49G95.3Very high95.8Very high18 Ų1848.7 Ų48.719%0.18626%0.261CS..  trans79.2-166.1-173.500000113.6I45I45-G49 VanDerWaalsContact O-CA 3.23Å; I45-G49 WeakPolarHBondContact O-CA 3.26Å; I45-G49 PolarHBondContact O-N 2.92Å
50L95.6Very high96Very high28 Ų2849.1 Ų49.115%0.14726%0.263CS..SBendtrans-78.6146.1175.8-64.5167.2000110.4L4 I57 L96 L99 A103L4-L50 HydrophobicContact CD2-CD2 3.37Å; L50-I57 HydrophobicContact CD1-CD1 3.64Å; L50-I57 HydrophobicContact CD2-CD1 3.75Å; L50-I57 HydrophobicContact CG-CD1 4.35Å; L50-L96 HydrophobicContact CD2-CD2 3.97Å; L50-L99 HydrophobicContact CD1-CB 3.63Å; L50-L99 HydrophobicContact CD2-CB 4.45Å; L50-L99 HydrophobicContact CD2-CD1 4.39Å; L50-L99 HydrophobicContact CG-CB 3.67Å; L50-L99 HydrophobicContact CG-CD1 4.13Å; L50-A103 HydrophobicContact CD1-CB 3.68Å
51P94.2Very high96Very high30 Ų3048.1 Ų48.120%0.19526%0.258CS..  trans-57.5140.7167-15.626.7000110.8L40 D53 V54L40-P51 HydrophobicContact CD1-CG 4.05Å; P51-D53 PolarHBondContact O-N 3.21Å; P51-V54 HydrophobicContact CB-CG2 3.87Å; P51-V54 HydrophobicContact CG-CG2 3.98Å; P51-V54 WeakPolarHBondContact O-CG2 3.46Å; P51-V54 PolarHBondContact O-N 2.98Å
52S92.5Very high95.9Very high104 Ų10448.4 Ų48.473%0.72727%0.266SS*.THydrogen-bonded Turntrans-69.9-15.5-170.3520000115.1P104S52-P104 WeakPolarHBondContact O-CG 3.44Å
53D94.4Very high95.8Very high83 Ų8348.9 Ų48.944%0.44427%0.268SS..THydrogen-bonded Turntrans-109.215.3-173.262.8-27.8000113K2 P51K2-D53 VanDerWaalsContact CB-O 3.31Å; K2-D53 WeakPolarHBondContact CB-O 3.48Å; K2-D53 HydrophobicContact CD-CB 4.32Å; K2-D53 WeakPolarHBondContact CD-O 3.34Å; K2-D53 WeakPolarHBondContact CD-OD1 3.45Å; K2-D53 WeakPolarHBondContact CD-OD2 3.43Å; K2-D53 WeakPolarHBondContact CE-OD1 3.46Å; K2-D53 IonicContact NZ-OD1 3.56Å; K2-D53 PolarHBondContact NZ-OD1 3.16Å; K2-D53 IonicContact NZ-OD2 2.86Å; K2-D53 PolarHBondContact NZ-OD2 3.4Å; P51-D53 PolarHBondContact O-N 3.21Å
54V97Very high95.7Very high3 Ų346.6 Ų46.62%0.01826%0.255CS..  trans-76.3124.5177.5176.70000110.5K2 L4 P51 V56 I57 I105K2-V54 HydrophobicContact CD-CG2 4.41Å; L4-V54 HydrophobicContact CB-CG1 3.77Å; L4-V54 HydrophobicContact CB-CG2 4.03Å; L4-V54 HydrophobicContact CD2-CG2 4.4Å; P51-V54 HydrophobicContact CB-CG2 3.87Å; P51-V54 HydrophobicContact CG-CG2 3.98Å; P51-V54 WeakPolarHBondContact O-CG2 3.46Å; P51-V54 PolarHBondContact O-N 2.98Å; V54-V56 WeakPolarHBondContact CG1-O 3.31Å; V54-I57 HydrophobicContact CG1-CG1 3.83Å; V54-I105 HydrophobicContact CB-CG2 4.41Å; V54-I105 HydrophobicContact CG1-CG2 4.15Å
55D97.7Very high95.5Very high38 Ų3846.3 Ų46.320%0.20325%0.251CS..  trans-86.8-44173.5-64.3-68.7000111.4M1 K2 K106 A107 L214M1-D55 WeakPolarHBondContact CA-OD2 3.29Å; M1-D55 HydrophobicContact CB-CB 4.35Å; K2-D55 PolarHBondContact N-OD2 3.49Å; K2-D55 PolarHBondContact O-N 3.22Å; D55-K106 PolarHBondContact O-N 2.69Å; D55-K106 IonicContact OD1-NZ 3.98Å; D55-A107 PolarHBondContact O-N 2.86Å; D55-L214 HydrophobicContact CB-CD1 4.34Å
56V98.5Very high95.2Very high0 Ų047.7 Ų47.70%027%0.265CS..EExtended strand (participates in β ladder)trans-133.8131.2-171.2-178.90000110.8K2 F3 L4 V54 V58 A107 I109 L214K2-V56 PolarHBondContact O-N 3.27Å; F3-V56 WeakPolarHBondContact CA-O 3.48Å; F3-V56 HydrophobicContact CD1-CB 3.75Å; F3-V56 HydrophobicContact CD1-CG1 3.82Å; F3-V56 HydrophobicContact CE1-CB 3.78Å; F3-V56 HydrophobicContact CE1-CG1 3.73Å; F3-V56 HydrophobicContact CE1-CG2 4.15Å; F3-V56 HydrophobicContact CG-CB 4.42Å; F3-V56 HydrophobicContact CZ-CB 4.46Å; F3-V56 HydrophobicContact CZ-CG2 4.42Å; L4-V56 PolarHBondContact N-O 2.82Å; V54-V56 WeakPolarHBondContact CG1-O 3.31Å; V56-V58 HydrophobicContact CG1-CG2 4.07Å; V56-A107 WeakPolarHBondContact CA-O 3.27Å; V56-A107 HydrophobicContact CG1-CB 4.09Å; V56-A107 HydrophobicContact CG2-CB 4.15Å; V56-I109 HydrophobicContact CG1-CD1 4.03Å; V56-L214 HydrophobicContact CG2-CD1 4.21Å; V56-L214 HydrophobicContact CG2-CD2 4.16Å; V56-L214 HydrophobicContact CG2-CG 4.25Å
57I98.5Very high94.9Very high0 Ų041.9 Ų41.90%024%0.24CC..EExtended strand (participates in β ladder)trans-104.6129.6170.6-61.3178.1000109.1L4 L50 V54 L96 S100 I105 A107 F108 I109L4-I57 HydrophobicContact CB-CG1 4.32Å; L4-I57 HydrophobicContact CD2-CG1 4.42Å; L4-I57 WeakPolarHBondContact O-CA 3.48Å; L50-I57 HydrophobicContact CD1-CD1 3.64Å; L50-I57 HydrophobicContact CD2-CD1 3.75Å; L50-I57 HydrophobicContact CG-CD1 4.35Å; V54-I57 HydrophobicContact CG1-CG1 3.83Å; I57-L96 HydrophobicContact CG2-CD1 4.08Å; I57-S100 WeakPolarHBondContact CD1-OG 3.35Å; I57-I105 HydrophobicContact CD1-CD1 4.15Å; I57-I105 HydrophobicContact CD1-CG2 4Å; I57-I105 HydrophobicContact CG1-CG2 4.15Å; I57-A107 PolarHBondContact N-O 3.17Å; I57-F108 HydrophobicContact CB-CD2 3.95Å; I57-F108 HydrophobicContact CB-CE2 4.39Å; I57-F108 HydrophobicContact CD1-CD2 4.45Å; I57-F108 HydrophobicContact CG2-CD2 3.94Å; I57-F108 HydrophobicContact CG2-CE2 3.87Å; I57-I109 PolarHBondContact O-N 3.46Å
58V98.7Very high94.5Very high0 Ų036.8 Ų36.80%022%0.224CC..EExtended strand (participates in β ladder)trans-121.2112.5171.8-170.80000109F3 L4 I5 G6 L16 V56 L60 I109 I208F3-V58 HydrophobicContact CD1-CG2 4.21Å; L4-V58 PolarHBondContact O-N 2.75Å; I5-V58 CarbonylContact C-O 3.49Å; I5-V58 VanDerWaalsContact CA-O 3.25Å; I5-V58 WeakPolarHBondContact CA-O 3.14Å; I5-V58 HydrophobicContact CG1-CB 4.34Å; G6-V58 PolarHBondContact N-O 2.8Å; L16-V58 HydrophobicContact CD2-CG1 4.04Å; V56-V58 HydrophobicContact CG1-CG2 4.07Å; V58-L60 HydrophobicContact CG1-CD1 4.34Å; V58-L60 HydrophobicContact CG1-CD2 3.97Å; V58-L60 HydrophobicContact CG1-CG 3.92Å; V58-I109 CarbonylContact C-O 3.51Å; V58-I109 VanDerWaalsContact CA-O 3.27Å; V58-I109 WeakPolarHBondContact CA-O 3.38Å; V58-I109 HydrophobicContact CG1-CB 4.43Å; V58-I109 HydrophobicContact CG1-CG2 4.35Å; V58-I109 HydrophobicContact CG2-CB 4.35Å; V58-I109 HydrophobicContact CG2-CD1 4.29Å; V58-I208 HydrophobicContact CG1-CG2 4.1Å; V58-I208 HydrophobicContact CG2-CG2 4.35Å
59N98.5Very high94.2Very high0 Ų034.3 Ų34.30%021%0.211CC..EExtended strand (participates in β ladder)trans-102.4105.6177.9-173.229.6000111.1S61 T93 L96 I109 N110 A111N59-S61 WeakPolarHBondContact OD1-CB 3.38Å; N59-S61 PolarHBondContact OD1-N 2.62Å; N59-S61 PolarHBondContact OD1-OG 2.53Å; N59-T93 PolarHBondContact ND2-OG1 2.75Å; N59-L96 HydrophobicContact CB-CD1 3.79Å; N59-I109 PolarHBondContact N-O 2.92Å; N59-N110 WeakPolarHBondContact CB-OD1 3.4Å; N59-N110 PolarHBondContact ND2-OD1 2.58Å; N59-A111 WeakPolarHBondContact O-CB 3.29Å; N59-A111 PolarHBondContact O-N 2.59Å
60L97.9Very high93.9Very high27 Ų2739.8 Ų39.814%0.14124%0.235CC..  trans-107.916.6176.1-54.4176.4000111.9I5 G6 I12 L16 V58 A111 L161 I208I5-L60 HydrophobicContact CG2-CD1 4.44Å; G6-L60 WeakPolarHBondContact O-CA 3.05Å; G6-L60 WeakPolarHBondContact O-CB 3.44Å; G6-L60 PolarHBondContact O-N 2.91Å; I12-L60 HydrophobicContact CB-CD1 4.19Å; I12-L60 HydrophobicContact CG2-CD1 3.81Å; L16-L60 HydrophobicContact CD2-CD1 4.03Å; V58-L60 HydrophobicContact CG1-CD1 4.34Å; V58-L60 HydrophobicContact CG1-CD2 3.97Å; V58-L60 HydrophobicContact CG1-CG 3.92Å; L60-A111 HydrophobicContact CD2-CB 4.08Å; L60-L161 HydrophobicContact CD2-CD1 4.33Å; L60-I208 HydrophobicContact CD1-CD1 4.41Å; L60-I208 HydrophobicContact CD2-CD1 4.23Å
61S95.9Very high93.7Very high8 Ų843.1 Ų43.16%0.05625%0.253CS..  trans-74.9135.1-172.6-48.70000111.3G6 G7 W42 N59G6-S61 WeakPolarHBondContact CA-OG 3.3Å; G7-S61 PolarHBondContact N-OG 3.2Å; W42-S61 WeakPolarHBondContact CZ2-OG 3.43Å; N59-S61 WeakPolarHBondContact OD1-CB 3.38Å; N59-S61 PolarHBondContact OD1-N 2.62Å; N59-S61 PolarHBondContact OD1-OG 2.53Å
62G93.8Very high93.5Very high37 Ų3743.1 Ų43.138%0.38125%0.25SC..  trans174.9143.9172.700000111.4
63R92.8Very high93.3Very high47 Ų4744.1 Ų44.118%0.17724%0.241CC..  trans-64.4135169.9-171.963.1169.6105.89.2109I65 E67 Y81 E84 V85 S88 R89R63-I65 PolarHBondContact O-N 3.04Å; R63-E67 IonicContact CZ-OE1 3.89Å; R63-E67 IonicContact CZ-OE2 2.59Å; R63-E67 IonicContact NH1-OE2 2.9Å; R63-E67 PolarHBondContact NH1-OE2 3.1Å; R63-E67 IonicContact NH2-OE1 3.53Å; R63-E67 PolarHBondContact NH2-OE1 3.36Å; R63-E67 IonicContact NH2-OE2 3.87Å; R63-E67 PolarHBondContact NH2-OE2 2.57Å; R63-Y81 HydrophobicContact CG-CD2 4.24Å; R63-Y81 HydrophobicContact CG-CE2 3.85Å; R63-E84 HydrophobicContact CB-CG 4.32Å; R63-E84 VanDerWaalsContact CD-CD 3.44Å; R63-E84 WeakPolarHBondContact CD-OE1 3.47Å; R63-E84 WeakPolarHBondContact CD-OE2 3.3Å; R63-E84 HydrophobicContact CG-CG 4.2Å; R63-E84 IonicContact CZ-OE2 3.01Å; R63-E84 IonicContact NE-OE1 2.83Å; R63-E84 IonicContact NE-OE2 3.52Å; R63-E84 PolarHBondContact NE-OE2 2.69Å; R63-V85 HydrophobicContact CB-CG2 4.1Å; R63-V85 HydrophobicContact CG-CG2 4.11Å; R63-S88 WeakPolarHBondContact CB-OG 3.29Å; R63-S88 PolarHBondContact N-OG 2.65Å; R63-R89 VanDerWaalsContact O-CZ 3.28Å; R63-R89 PolarHBondContact O-NH1 3.26Å; R63-R89 PolarHBondContact O-NH2 2.93Å
64N91.6Very high93.2Very high74 Ų7444.2 Ų44.240%0.39624%0.241SC..  trans-57.8116.5175.8-176.7-10.5000109.4G66 Y81N64-G66 PolarHBondContact OD1-N 3.48Å; N64-Y81 PolarHBondContact O-OH 3.37Å
65I91.7Very high92.9Very high28 Ų2850 Ų5014%0.14427%0.266CS..THydrogen-bonded Turntrans-80.4-23-177.7-164.5172.2000112.5R63 E67 Y81 V85 F136 I137 L140 R269 L272R63-I65 PolarHBondContact O-N 3.04Å; I65-E67 VanDerWaalsContact C-N 3.26Å; I65-E67 PolarHBondContact O-N 3.36Å; I65-Y81 WeakPolarHBondContact CA-OH 3.27Å; I65-Y81 PolarHBondContact O-OH 3.4Å; I65-V85 HydrophobicContact CB-CG1 4.43Å; I65-V85 HydrophobicContact CD1-CG1 3.95Å; I65-V85 HydrophobicContact CG1-CG1 4Å; I65-F136 HydrophobicContact CD1-CE1 4.23Å; I65-I137 HydrophobicContact CD1-CD1 3.52Å; I65-L140 HydrophobicContact CD1-CD2 3.69Å; I65-R269 WeakPolarHBondContact O-CD 3.04Å; I65-R269 PolarHBondContact O-NH1 3.05Å; I65-L272 HydrophobicContact CB-CD1 4.39Å; I65-L272 HydrophobicContact CD1-CD1 4.18Å; I65-L272 HydrophobicContact CG1-CD1 3.94Å; I65-L272 HydrophobicContact CG2-CD1 3.81Å
66G88.3Confident92.7Very high29 Ų2954.3 Ų54.330%0.29929%0.285SS..THydrogen-bonded Turntrans-87.818.9176.500000113.7N64 V68N64-G66 PolarHBondContact OD1-N 3.48Å; G66-V68 PolarHBondContact O-N 3.38Å
67E89.6Confident92.5Very high36 Ų3657.2 Ų57.217%0.16830%0.3CS..  trans-70127.1-179.8-178.9164.3140.400111.5R63 I65 N69 F72 Y81 R269R63-E67 IonicContact CZ-OE1 3.89Å; R63-E67 IonicContact CZ-OE2 2.59Å; R63-E67 IonicContact NH1-OE2 2.9Å; R63-E67 PolarHBondContact NH1-OE2 3.1Å; R63-E67 IonicContact NH2-OE1 3.53Å; R63-E67 PolarHBondContact NH2-OE1 3.36Å; R63-E67 IonicContact NH2-OE2 3.87Å; R63-E67 PolarHBondContact NH2-OE2 2.57Å; I65-E67 VanDerWaalsContact C-N 3.26Å; I65-E67 PolarHBondContact O-N 3.36Å; E67-N69 HydrophobicContact CG-CB 4.36Å; E67-F72 HydrophobicContact CB-CE2 4.27Å; E67-F72 HydrophobicContact CG-CE2 3.99Å; E67-F72 HydrophobicContact CG-CZ 4.31Å; E67-Y81 HydrophobicContact CB-CE2 4.13Å; E67-R269 PolarHBondContact O-NH1 3.11Å; E67-R269 PolarHBondContact O-NH2 3.23Å
68V87Confident92.2Very high73 Ų7358.7 Ų58.744%0.44231%0.306SS..  trans-102.2120.5169.9179.70000107.6G66 L264 L265G66-V68 PolarHBondContact O-N 3.38Å; V68-L264 HydrophobicContact CG1-CB 4.18Å; V68-L264 HydrophobicContact CG1-CD2 3.95Å; V68-L264 HydrophobicContact CG2-CB 4.37Å; V68-L265 HydrophobicContact CG2-CD2 3.67Å; V68-L265 HydrophobicContact CG2-CG 4.45Å
69N89.4Confident91.9Very high58 Ų5864.9 Ų64.931%0.3133%0.33SS..  trans-143.9129.9179.8-168.7-30.8000109.4E67 L71 F72E67-N69 HydrophobicContact CG-CB 4.36Å; N69-L71 PolarHBondContact O-N 3.31Å; N69-L71 WeakPolarHBondContact OD1-CB 3.43Å; N69-L71 WeakPolarHBondContact OD1-CG 3.42Å; N69-L71 PolarHBondContact OD1-N 2.94Å; N69-F72 HydrophobicContact CB-CD1 4.31Å; N69-F72 HydrophobicContact CB-CD2 3.71Å; N69-F72 HydrophobicContact CB-CE1 4.16Å; N69-F72 HydrophobicContact CB-CE2 3.56Å; N69-F72 HydrophobicContact CB-CG 4.08Å; N69-F72 HydrophobicContact CB-CZ 3.79Å; N69-F72 VanDerWaalsContact O-CB 3.32Å; N69-F72 WeakPolarHBondContact O-CB 3.36Å; N69-F72 PolarHBondContact O-N 3.06Å
70L88.7Confident91.7Very high133 Ų13368.4 Ų68.470%0.69636%0.355SS*.G310 helixtrans-61.4-26.8179.2-60.3177.7000112.1F72 F73L70-F72 PolarHBondContact O-N 2.89Å; L70-F72 VanDerWaalsContact O-N 3.16Å; L70-F73 HydrophobicContact CB-CD2 4.42Å; L70-F73 HydrophobicContact CD2-CD2 4.32Å; L70-F73 HydrophobicContact CD2-CE2 3.77Å; L70-F73 WeakPolarHBondContact O-CB 3.42Å; L70-F73 WeakPolarHBondContact O-CD2 3.45Å; L70-F73 PolarHBondContact O-N 2.97Å; L70-F73 VanDerWaalsContact O-N 3.1Å
71L91Very high91.6Very high98 Ų9867.4 Ų67.451%0.51335%0.35SS..G310 helixtrans-62.2-21.5175.7-67.5174.9000112.8N69 F73 I74 N77N69-L71 PolarHBondContact O-N 3.31Å; N69-L71 WeakPolarHBondContact OD1-CB 3.43Å; N69-L71 WeakPolarHBondContact OD1-CG 3.42Å; N69-L71 PolarHBondContact OD1-N 2.94Å; L71-F73 PolarHBondContact O-N 3.13Å; L71-I74 WeakPolarHBondContact O-CB 3.49Å; L71-I74 PolarHBondContact O-N 2.99Å; L71-I74 VanDerWaalsContact O-N 3.08Å; L71-N77 VanDerWaalsContact O-CB 3.24Å; L71-N77 WeakPolarHBondContact O-CB 3.36Å; L71-N77 PolarHBondContact O-ND2 2.85Å; L71-N77 VanDerWaalsContact O-ND2 3.16Å
72F90.2Very high91.5Very high30 Ų3068 Ų6813%0.13235%0.352CS..G310 helixtrans-74.8-5.8177.2-58.8-22.7000113.6E67 N69 L70 I74 Y78 Y81E67-F72 HydrophobicContact CB-CE2 4.27Å; E67-F72 HydrophobicContact CG-CE2 3.99Å; E67-F72 HydrophobicContact CG-CZ 4.31Å; N69-F72 HydrophobicContact CB-CD1 4.31Å; N69-F72 HydrophobicContact CB-CD2 3.71Å; N69-F72 HydrophobicContact CB-CE1 4.16Å; N69-F72 HydrophobicContact CB-CE2 3.56Å; N69-F72 HydrophobicContact CB-CG 4.08Å; N69-F72 HydrophobicContact CB-CZ 3.79Å; N69-F72 VanDerWaalsContact O-CB 3.32Å; N69-F72 WeakPolarHBondContact O-CB 3.36Å; N69-F72 PolarHBondContact O-N 3.06Å; L70-F72 PolarHBondContact O-N 2.89Å; L70-F72 VanDerWaalsContact O-N 3.16Å; F72-I74 PolarHBondContact O-N 3.08Å; F72-Y78 HydrophobicContact CB-CD2 4.16Å; F72-Y81 HydrophobicContact CD1-CG 4.47Å; F72-Y81 HydrophobicContact CD2-CD1 4.49Å; F72-Y81 HydrophobicContact CE1-CD1 4.27Å; F72-Y81 HydrophobicContact CE1-CD2 4.04Å; F72-Y81 AromaticContact CE1-CG 3.67Å; F72-Y81 HydrophobicContact CE1-CG 3.67Å; F72-Y81 AromaticContact CE2-CD1 3.97Å; F72-Y81 HydrophobicContact CE2-CD1 3.97Å; F72-Y81 HydrophobicContact CE2-CD2 4.09Å; F72-Y81 HydrophobicContact CE2-CE1 4.07Å; F72-Y81 HydrophobicContact CE2-CE2 4.17Å; F72-Y81 AromaticContact CE2-CG 3.96Å; F72-Y81 HydrophobicContact CE2-CG 3.96Å; F72-Y81 AromaticContact CZ-CD1 3.86Å; F72-Y81 HydrophobicContact CZ-CD1 3.86Å; F72-Y81 AromaticContact CZ-CD2 3.4Å; F72-Y81 HydrophobicContact CZ-CD2 3.4Å; F72-Y81 VanDerWaalsContact CZ-CD2 3.4Å; F72-Y81 HydrophobicContact CZ-CE1 4.3Å; F72-Y81 AromaticContact CZ-CE2 3.86Å; F72-Y81 HydrophobicContact CZ-CE2 3.86Å; F72-Y81 AromaticContact CZ-CG 3.37Å; F72-Y81 HydrophobicContact CZ-CG 3.37Å
73F88Confident91.6Very high124 Ų12472.3 Ų72.354%0.54436%0.362SS..G310 helixtrans-68.3-19.8164.4-70.8-63.4000112.3L70 L71 L263L70-F73 HydrophobicContact CB-CD2 4.42Å; L70-F73 HydrophobicContact CD2-CD2 4.32Å; L70-F73 HydrophobicContact CD2-CE2 3.77Å; L70-F73 WeakPolarHBondContact O-CB 3.42Å; L70-F73 WeakPolarHBondContact O-CD2 3.45Å; L70-F73 PolarHBondContact O-N 2.97Å; L70-F73 VanDerWaalsContact O-N 3.1Å; L71-F73 PolarHBondContact O-N 3.13Å; F73-L263 HydrophobicContact CE1-CD1 3.75Å; F73-L263 HydrophobicContact CE1-CG 4.1Å; F73-L263 HydrophobicContact CZ-CD1 4.34Å; F73-L263 HydrophobicContact CZ-CG 4.23Å
74I91.6Very high91.6Very high85 Ų8573.1 Ų73.144%0.43637%0.368SS..SBendtrans-86.1120.9169.5-56.8172.3000107.8L71 F72 E76 N77 Y78L71-I74 WeakPolarHBondContact O-CB 3.49Å; L71-I74 PolarHBondContact O-N 2.99Å; L71-I74 VanDerWaalsContact O-N 3.08Å; F72-I74 PolarHBondContact O-N 3.08Å; I74-E76 VanDerWaalsContact C-N 3.31Å; I74-E76 VanDerWaalsContact CG2-OE2 3.28Å; I74-E76 WeakPolarHBondContact CG2-OE2 3.46Å; I74-E76 PolarHBondContact O-N 3.05Å; I74-N77 HydrophobicContact CB-CB 4.33Å; I74-N77 PolarHBondContact O-N 2.94Å; I74-N77 VanDerWaalsContact O-N 3.16Å; I74-Y78 PolarHBondContact O-N 3.24Å; I74-Y78 VanDerWaalsContact O-N 3.07Å
75K91Very high91.8Very high125 Ų12569.6 Ų69.654%0.54335%0.349SS..Hα-helixtrans-58.7-40.1-170.5-174.1177.2-174.2-173.90112.5Y78 Y79K75-Y78 PolarHBondContact O-N 3.19Å; K75-Y79 HydrophobicContact CD-CE2 3.85Å; K75-Y79 WeakPolarHBondContact CE-OH 3.4Å; K75-Y79 HydrophobicContact CG-CD2 3.87Å; K75-Y79 HydrophobicContact CG-CE2 3.33Å; K75-Y79 VanDerWaalsContact O-CD2 3.22Å; K75-Y79 WeakPolarHBondContact O-CD2 3.28Å; K75-Y79 PolarHBondContact O-N 3.17Å
76E93.8Very high92Very high129 Ų12970 Ų7060%0.60335%0.35SS*.Hα-helixtrans-63.9-43.7179.2-64.468-147.600111.6I74 Y78 Y79 S80I74-E76 VanDerWaalsContact C-N 3.31Å; I74-E76 VanDerWaalsContact CG2-OE2 3.28Å; I74-E76 WeakPolarHBondContact CG2-OE2 3.46Å; I74-E76 PolarHBondContact O-N 3.05Å; E76-Y78 VanDerWaalsContact C-N 3.34Å; E76-Y79 PolarHBondContact O-N 2.94Å; E76-S80 WeakPolarHBondContact O-CB 3.44Å; E76-S80 PolarHBondContact O-N 3.44Å
77N93.7Very high92.3Very high61 Ų6170.9 Ų70.933%0.32635%0.349SS..Hα-helixtrans-65.6-39.1176.7-69.7-21.9000111.4L71 I74 Y81L71-N77 VanDerWaalsContact O-CB 3.24Å; L71-N77 WeakPolarHBondContact O-CB 3.36Å; L71-N77 PolarHBondContact O-ND2 2.85Å; L71-N77 VanDerWaalsContact O-ND2 3.16Å; I74-N77 HydrophobicContact CB-CB 4.33Å; I74-N77 PolarHBondContact O-N 2.94Å; I74-N77 VanDerWaalsContact O-N 3.16Å; N77-Y81 WeakPolarHBondContact O-CB 3.17Å; N77-Y81 PolarHBondContact O-N 3.28Å
78Y92.4Very high92.6Very high30 Ų3070.1 Ų70.112%0.11835%0.348CS..Hα-helixtrans-62.2-48175178.9-102.5000111.3F72 I74 K75 E76 Y81 I82F72-Y78 HydrophobicContact CB-CD2 4.16Å; I74-Y78 PolarHBondContact O-N 3.24Å; I74-Y78 VanDerWaalsContact O-N 3.07Å; K75-Y78 PolarHBondContact O-N 3.19Å; E76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-Y81 WeakPolarHBondContact O-CB 3.39Å; Y78-Y81 PolarHBondContact O-N 3.27Å; Y78-I82 HydrophobicContact CD1-CG1 4.15Å; Y78-I82 HydrophobicContact CD2-CG1 4.43Å; Y78-I82 HydrophobicContact CE1-CD1 4.33Å; Y78-I82 HydrophobicContact CE1-CG1 3.78Å; Y78-I82 HydrophobicContact CE2-CD1 4.05Å; Y78-I82 HydrophobicContact CE2-CG1 4.1Å; Y78-I82 HydrophobicContact CG-CG1 4.48Å; Y78-I82 VanDerWaalsContact O-CG1 3.31Å; Y78-I82 WeakPolarHBondContact O-CG1 3.48Å; Y78-I82 PolarHBondContact O-N 3.26Å
79Y92.8Very high93.1Very high130 Ų13067.9 Ų67.951%0.5133%0.332SS..Hα-helixtrans-64.7-43179.4-69.9-49.4000113.2K75 E76 Y81 I82 E83K75-Y79 HydrophobicContact CD-CE2 3.85Å; K75-Y79 WeakPolarHBondContact CE-OH 3.4Å; K75-Y79 HydrophobicContact CG-CD2 3.87Å; K75-Y79 HydrophobicContact CG-CE2 3.33Å; K75-Y79 VanDerWaalsContact O-CD2 3.22Å; K75-Y79 WeakPolarHBondContact O-CD2 3.28Å; K75-Y79 PolarHBondContact O-N 3.17Å; E76-Y79 PolarHBondContact O-N 2.94Å; Y79-Y81 VanDerWaalsContact C-N 3.26Å; Y79-Y81 PolarHBondContact O-N 3.12Å; Y79-I82 PolarHBondContact O-N 3.34Å; Y79-I82 VanDerWaalsContact O-N 3.15Å; Y79-E83 PolarHBondContact O-N 2.85Å
80S94.8Very high93.5Very high75 Ų7565.7 Ų65.752%0.52432%0.32SS..Hα-helixtrans-60.1-38.9175.4179.70000111.7E76 E83 E84E76-S80 WeakPolarHBondContact O-CB 3.44Å; E76-S80 PolarHBondContact O-N 3.44Å; S80-E83 PolarHBondContact O-N 2.82Å; S80-E84 PolarHBondContact O-N 2.85Å
81Y94.8Very high93.8Very high6 Ų663.3 Ų63.32%0.02431%0.308CS..Hα-helixtrans-65-43.1173.4164-100.4000112.9R63 N64 I65 E67 F72 N77 Y78 Y79 E83 E84 V85 R269R63-Y81 HydrophobicContact CG-CD2 4.24Å; R63-Y81 HydrophobicContact CG-CE2 3.85Å; N64-Y81 PolarHBondContact O-OH 3.37Å; I65-Y81 WeakPolarHBondContact CA-OH 3.27Å; I65-Y81 PolarHBondContact O-OH 3.4Å; E67-Y81 HydrophobicContact CB-CE2 4.13Å; F72-Y81 HydrophobicContact CD1-CG 4.47Å; F72-Y81 HydrophobicContact CD2-CD1 4.49Å; F72-Y81 HydrophobicContact CE1-CD1 4.27Å; F72-Y81 HydrophobicContact CE1-CD2 4.04Å; F72-Y81 AromaticContact CE1-CG 3.67Å; F72-Y81 HydrophobicContact CE1-CG 3.67Å; F72-Y81 AromaticContact CE2-CD1 3.97Å; F72-Y81 HydrophobicContact CE2-CD1 3.97Å; F72-Y81 HydrophobicContact CE2-CD2 4.09Å; F72-Y81 HydrophobicContact CE2-CE1 4.07Å; F72-Y81 HydrophobicContact CE2-CE2 4.17Å; F72-Y81 AromaticContact CE2-CG 3.96Å; F72-Y81 HydrophobicContact CE2-CG 3.96Å; F72-Y81 AromaticContact CZ-CD1 3.86Å; F72-Y81 HydrophobicContact CZ-CD1 3.86Å; F72-Y81 AromaticContact CZ-CD2 3.4Å; F72-Y81 HydrophobicContact CZ-CD2 3.4Å; F72-Y81 VanDerWaalsContact CZ-CD2 3.4Å; F72-Y81 HydrophobicContact CZ-CE1 4.3Å; F72-Y81 AromaticContact CZ-CE2 3.86Å; F72-Y81 HydrophobicContact CZ-CE2 3.86Å; F72-Y81 AromaticContact CZ-CG 3.37Å; F72-Y81 HydrophobicContact CZ-CG 3.37Å; N77-Y81 WeakPolarHBondContact O-CB 3.17Å; N77-Y81 PolarHBondContact O-N 3.28Å; Y78-Y81 WeakPolarHBondContact O-CB 3.39Å; Y78-Y81 PolarHBondContact O-N 3.27Å; Y79-Y81 VanDerWaalsContact C-N 3.26Å; Y79-Y81 PolarHBondContact O-N 3.12Å; Y81-E83 VanDerWaalsContact C-N 3.34Å; Y81-E84 WeakPolarHBondContact O-CB 3.42Å; Y81-E84 PolarHBondContact O-N 2.63Å; Y81-V85 HydrophobicContact CD1-CG2 4.47Å; Y81-V85 HydrophobicContact CD2-CG2 4.39Å; Y81-V85 HydrophobicContact CE1-CG2 3.95Å; Y81-V85 HydrophobicContact CE2-CG2 3.89Å; Y81-V85 WeakPolarHBondContact O-CG2 3.42Å; Y81-V85 PolarHBondContact O-N 2.7Å; Y81-R269 VanDerWaalsContact CE1-NH1 3.29Å; Y81-R269 PolarHBondContact OH-NH1 3.43Å
82I94.6Very high94.1Very high21 Ų2159.5 Ų59.511%0.10829%0.289CS..Hα-helixtrans-63.3-42.5177.1-67.2-64.3000110.6Y78 Y79 E84 V85 F86 F136 R269Y78-I82 HydrophobicContact CD1-CG1 4.15Å; Y78-I82 HydrophobicContact CD2-CG1 4.43Å; Y78-I82 HydrophobicContact CE1-CD1 4.33Å; Y78-I82 HydrophobicContact CE1-CG1 3.78Å; Y78-I82 HydrophobicContact CE2-CD1 4.05Å; Y78-I82 HydrophobicContact CE2-CG1 4.1Å; Y78-I82 HydrophobicContact CG-CG1 4.48Å; Y78-I82 VanDerWaalsContact O-CG1 3.31Å; Y78-I82 WeakPolarHBondContact O-CG1 3.48Å; Y78-I82 PolarHBondContact O-N 3.26Å; Y79-I82 PolarHBondContact O-N 3.34Å; Y79-I82 VanDerWaalsContact O-N 3.15Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 2.81Å; I82-V85 WeakPolarHBondContact O-CA 3.45Å; I82-V85 WeakPolarHBondContact O-CB 3.05Å; I82-V85 PolarHBondContact O-N 3.43Å; I82-V85 VanDerWaalsContact O-N 3.08Å; I82-F86 HydrophobicContact CG2-CD2 4.3Å; I82-F86 HydrophobicContact CG2-CE2 4.27Å; I82-F86 WeakPolarHBondContact O-CD2 3.19Å; I82-F86 PolarHBondContact O-N 3.17Å; I82-F86 VanDerWaalsContact O-N 3.14Å; I82-F136 HydrophobicContact CD1-CE1 4.34Å; I82-F136 HydrophobicContact CD1-CE2 4.26Å; I82-F136 HydrophobicContact CD1-CZ 3.66Å; I82-F136 HydrophobicContact CG2-CE2 3.59Å; I82-F136 HydrophobicContact CG2-CZ 3.76Å; I82-R269 HydrophobicContact CD1-CG 4.27Å
83E94.8Very high94.5Very high127 Ų12758.1 Ų58.159%0.59328%0.283SS*.Hα-helixtrans-59.4-43.1172.6-175.8177.7-164.700111.6Y79 S80 Y81 V85 F86 T87Y79-E83 PolarHBondContact O-N 2.85Å; S80-E83 PolarHBondContact O-N 2.82Å; Y81-E83 VanDerWaalsContact C-N 3.34Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 2.84Å; E83-F86 PolarHBondContact O-N 3.36Å; E83-T87 HydrophobicContact CG-CG2 4.11Å; E83-T87 WeakPolarHBondContact O-CB 3.41Å; E83-T87 WeakPolarHBondContact O-CG2 3.41Å; E83-T87 PolarHBondContact O-N 3.07Å; E83-T87 PolarHBondContact O-OG1 2.88Å
84E94.8Very high94.9Very high63 Ų6357.1 Ų57.129%0.29428%0.278SS..Hα-helixtrans-60.5-38.2173.1-163.1-169.3175.200111.4R32 R63 S80 Y81 I82 F86 T87 S88R32-E84 IonicContact NH1-OE1 3.03Å; R32-E84 PolarHBondContact NH1-OE1 2.69Å; R63-E84 HydrophobicContact CB-CG 4.32Å; R63-E84 VanDerWaalsContact CD-CD 3.44Å; R63-E84 WeakPolarHBondContact CD-OE1 3.47Å; R63-E84 WeakPolarHBondContact CD-OE2 3.3Å; R63-E84 HydrophobicContact CG-CG 4.2Å; R63-E84 IonicContact CZ-OE2 3.01Å; R63-E84 IonicContact NE-OE1 2.83Å; R63-E84 IonicContact NE-OE2 3.52Å; R63-E84 PolarHBondContact NE-OE2 2.69Å; S80-E84 PolarHBondContact O-N 2.85Å; Y81-E84 WeakPolarHBondContact O-CB 3.42Å; Y81-E84 PolarHBondContact O-N 2.63Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 2.81Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3.47Å; E84-T87 WeakPolarHBondContact CA-OG1 3.49Å; E84-T87 PolarHBondContact O-OG1 2.76Å; E84-S88 WeakPolarHBondContact O-CB 3.21Å; E84-S88 PolarHBondContact O-N 2.66Å; E84-S88 PolarHBondContact O-OG 2.91Å
85V95.4Very high95.2Very high0 Ų054.9 Ų54.90%027%0.267CS..Hα-helixtrans-60.1-41.7176.8165.20000111.9R63 I65 Y81 I82 E83 S88 R89 L140R63-V85 HydrophobicContact CB-CG2 4.1Å; R63-V85 HydrophobicContact CG-CG2 4.11Å; I65-V85 HydrophobicContact CB-CG1 4.43Å; I65-V85 HydrophobicContact CD1-CG1 3.95Å; I65-V85 HydrophobicContact CG1-CG1 4Å; Y81-V85 HydrophobicContact CD1-CG2 4.47Å; Y81-V85 HydrophobicContact CD2-CG2 4.39Å; Y81-V85 HydrophobicContact CE1-CG2 3.95Å; Y81-V85 HydrophobicContact CE2-CG2 3.89Å; Y81-V85 WeakPolarHBondContact O-CG2 3.42Å; Y81-V85 PolarHBondContact O-N 2.7Å; I82-V85 WeakPolarHBondContact O-CA 3.45Å; I82-V85 WeakPolarHBondContact O-CB 3.05Å; I82-V85 PolarHBondContact O-N 3.43Å; I82-V85 VanDerWaalsContact O-N 3.08Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 2.84Å; V85-S88 PolarHBondContact O-OG 3.31Å; V85-R89 PolarHBondContact O-NH1 3.15Å; V85-L140 HydrophobicContact CG1-CD2 3.67Å
86F96.2Very high95.5Very high36 Ų3649 Ų4916%0.15824%0.241CC..Hα-helixtrans-73-58.5175.8-83.4-103.6000111.7I82 E83 E84 S88 R89 I90 F136 L140I82-F86 HydrophobicContact CG2-CD2 4.3Å; I82-F86 HydrophobicContact CG2-CE2 4.27Å; I82-F86 WeakPolarHBondContact O-CD2 3.19Å; I82-F86 PolarHBondContact O-N 3.17Å; I82-F86 VanDerWaalsContact O-N 3.14Å; E83-F86 PolarHBondContact O-N 3.36Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3.47Å; F86-S88 PolarHBondContact O-N 2.85Å; F86-R89 PolarHBondContact O-N 3Å; F86-I90 HydrophobicContact CB-CD1 4.31Å; F86-I90 HydrophobicContact CD1-CD1 3.71Å; F86-I90 HydrophobicContact CG-CD1 4.46Å; F86-I90 WeakPolarHBondContact O-CB 3.5Å; F86-I90 PolarHBondContact O-N 3.33Å; F86-F136 HydrophobicContact CE2-CD2 4.36Å; F86-F136 AromaticContact CE2-CE2 3.5Å; F86-F136 HydrophobicContact CE2-CE2 3.5Å; F86-F136 AromaticContact CE2-CZ 3.62Å; F86-F136 HydrophobicContact CE2-CZ 3.62Å; F86-F136 HydrophobicContact CZ-CE2 4.1Å; F86-F136 HydrophobicContact CZ-CZ 4.43Å; F86-L140 HydrophobicContact CB-CD1 4.42Å; F86-L140 HydrophobicContact CD1-CD1 3.61Å; F86-L140 HydrophobicContact CD2-CD1 3.94Å; F86-L140 HydrophobicContact CE1-CB 3.99Å; F86-L140 HydrophobicContact CE1-CD1 3.7Å; F86-L140 HydrophobicContact CE1-CG 4.46Å; F86-L140 HydrophobicContact CE2-CB 4.28Å; F86-L140 HydrophobicContact CE2-CD1 4.02Å; F86-L140 HydrophobicContact CG-CD1 3.73Å; F86-L140 HydrophobicContact CZ-CB 3.73Å; F86-L140 HydrophobicContact CZ-CD1 3.92Å; F86-L140 HydrophobicContact CZ-CG 4.36Å
87T94.8Very high95.7Very high48 Ų4843.2 Ų43.229%0.29422%0.215SC..Hα-helixtrans-60.2-41.2-174.253.30000112.1E83 E84 R89 D91E83-T87 HydrophobicContact CG-CG2 4.11Å; E83-T87 WeakPolarHBondContact O-CB 3.41Å; E83-T87 WeakPolarHBondContact O-CG2 3.41Å; E83-T87 PolarHBondContact O-N 3.07Å; E83-T87 PolarHBondContact O-OG1 2.88Å; E84-T87 WeakPolarHBondContact CA-OG1 3.49Å; E84-T87 PolarHBondContact O-OG1 2.76Å; T87-R89 PolarHBondContact O-N 3.44Å; T87-R89 VanDerWaalsContact O-N 3.1Å; T87-D91 VanDerWaalsContact CB-OD2 3.27Å; T87-D91 WeakPolarHBondContact CB-OD2 3.39Å; T87-D91 WeakPolarHBondContact CG2-OD2 3.4Å; T87-D91 VanDerWaalsContact O-CB 3.3Å; T87-D91 WeakPolarHBondContact O-CB 3.38Å; T87-D91 PolarHBondContact O-N 3.22Å
88S94.9Very high95.9Very high21 Ų2144.4 Ų44.415%0.14722%0.221CC..Hα-helixtrans-63.1-19.9178.265.40000114.3R63 E84 V85 F86 T92R63-S88 WeakPolarHBondContact CB-OG 3.29Å; R63-S88 PolarHBondContact N-OG 2.65Å; E84-S88 WeakPolarHBondContact O-CB 3.21Å; E84-S88 PolarHBondContact O-N 2.66Å; E84-S88 PolarHBondContact O-OG 2.91Å; V85-S88 PolarHBondContact O-OG 3.31Å; F86-S88 PolarHBondContact O-N 2.85Å; S88-T92 WeakPolarHBondContact O-CG2 3.26Å; S88-T92 PolarHBondContact O-OG1 2.93Å
89R97.3Very high96.1Very high26 Ų2645 Ų4510%0.09823%0.226CC..Hα-helixtrans-97.6-56.3174.5-73.7172.1175.670.14.7111.1R63 V85 F86 T87 T92 T93 W144R63-R89 VanDerWaalsContact O-CZ 3.28Å; R63-R89 PolarHBondContact O-NH1 3.26Å; R63-R89 PolarHBondContact O-NH2 2.93Å; V85-R89 PolarHBondContact O-NH1 3.15Å; F86-R89 PolarHBondContact O-N 3Å; T87-R89 PolarHBondContact O-N 3.44Å; T87-R89 VanDerWaalsContact O-N 3.1Å; R89-T92 PolarHBondContact O-OG1 2.84Å; R89-T93 WeakPolarHBondContact O-CB 3.44Å; R89-T93 PolarHBondContact O-N 2.89Å; R89-T93 VanDerWaalsContact O-N 3.12Å; R89-T93 PolarHBondContact O-OG1 2.92Å; R89-W144 HydrophobicContact CB-CD2 4.01Å; R89-W144 HydrophobicContact CB-CG 4.07Å; R89-W144 HydrophobicContact CB-CZ2 4.34Å; R89-W144 HydrophobicContact CG-CD2 4.12Å; R89-W144 HydrophobicContact CG-CE3 4.37Å; R89-W144 HydrophobicContact CG-CH2 4.2Å; R89-W144 HydrophobicContact CG-CZ2 3.92Å; R89-W144 HydrophobicContact CG-CZ3 4.43Å
90I97.3Very high96.3Very high11 Ų1138.8 Ų38.86%0.05620%0.202CC..Hα-helixtrans-70.5-48.3-170.5-65.9171.7000110.8F86 T93 K94 Q143 A147F86-I90 HydrophobicContact CB-CD1 4.31Å; F86-I90 HydrophobicContact CD1-CD1 3.71Å; F86-I90 HydrophobicContact CG-CD1 4.46Å; F86-I90 WeakPolarHBondContact O-CB 3.5Å; F86-I90 PolarHBondContact O-N 3.33Å; I90-T93 PolarHBondContact O-N 2.74Å; I90-K94 HydrophobicContact CG2-CD 3.93Å; I90-K94 HydrophobicContact CG2-CG 4.39Å; I90-K94 WeakPolarHBondContact O-CB 3.46Å; I90-K94 WeakPolarHBondContact O-CG 3.26Å; I90-K94 PolarHBondContact O-N 2.97Å; I90-Q143 HydrophobicContact CD1-CB 3.78Å; I90-A147 HydrophobicContact CG2-CB 4.08Å
91D96.7Very high96.4Very high84 Ų8439.9 Ų39.945%0.44920%0.197SC..Hα-helixtrans-72.9-39.3-173.2-59.8-18.4000111.7T87 T93 K94 L95T87-D91 VanDerWaalsContact CB-OD2 3.27Å; T87-D91 WeakPolarHBondContact CB-OD2 3.39Å; T87-D91 WeakPolarHBondContact CG2-OD2 3.4Å; T87-D91 VanDerWaalsContact O-CB 3.3Å; T87-D91 WeakPolarHBondContact O-CB 3.38Å; T87-D91 PolarHBondContact O-N 3.22Å; D91-T93 VanDerWaalsContact C-N 3.3Å; D91-T93 PolarHBondContact O-N 3.01Å; D91-K94 PolarHBondContact O-N 3.22Å; D91-L95 WeakPolarHBondContact O-CB 3.34Å; D91-L95 PolarHBondContact O-N 3.35Å
92T96.2Very high96.2Very high18 Ų1845 Ų4511%0.1123%0.234CC..Hα-helixtrans-63.9-38.3174.560.80000111.3W42 S88 R89 L96W42-T92 HydrophobicContact CD2-CG2 3.98Å; W42-T92 HydrophobicContact CE3-CG2 4.18Å; W42-T92 HydrophobicContact CH2-CG2 4.07Å; W42-T92 HydrophobicContact CZ2-CG2 3.89Å; W42-T92 HydrophobicContact CZ3-CG2 4.19Å; S88-T92 WeakPolarHBondContact O-CG2 3.26Å; S88-T92 PolarHBondContact O-OG1 2.93Å; R89-T92 PolarHBondContact O-OG1 2.84Å; T92-L96 WeakPolarHBondContact O-CG 3.47Å; T92-L96 PolarHBondContact O-N 2.99Å
93T98.1Very high96.2Very high0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-67-50.1175.7-58.40000111.1N59 R89 I90 D91 L95 L96 V97 N110 W144 A147 A148N59-T93 PolarHBondContact ND2-OG1 2.75Å; R89-T93 WeakPolarHBondContact O-CB 3.44Å; R89-T93 PolarHBondContact O-N 2.89Å; R89-T93 VanDerWaalsContact O-N 3.12Å; R89-T93 PolarHBondContact O-OG1 2.92Å; I90-T93 PolarHBondContact O-N 2.74Å; D91-T93 VanDerWaalsContact C-N 3.3Å; D91-T93 PolarHBondContact O-N 3.01Å; T93-L95 VanDerWaalsContact C-N 3.32Å; T93-L95 PolarHBondContact O-N 3.3Å; T93-L96 PolarHBondContact O-N 2.86Å; T93-L96 VanDerWaalsContact O-N 3.14Å; T93-V97 HydrophobicContact CG2-CG2 4.31Å; T93-V97 WeakPolarHBondContact O-CB 3.18Å; T93-V97 WeakPolarHBondContact O-CG2 3.38Å; T93-V97 PolarHBondContact O-N 3.37Å; T93-N110 PolarHBondContact OG1-OD1 2.8Å; T93-W144 PolarHBondContact OG1-NE1 3.18Å; T93-A147 HydrophobicContact CG2-CB 4.29Å; T93-A148 VanDerWaalsContact CG2-CA 3.46Å; T93-A148 HydrophobicContact CG2-CB 3.66Å
94K97.9Very high96.1Very high104 Ų10442.9 Ų42.945%0.45223%0.234SC..Hα-helixtrans-56-45.7177.6-76.7176.5178171.50111.9I90 D91 L96 V97 D98 A147I90-K94 HydrophobicContact CG2-CD 3.93Å; I90-K94 HydrophobicContact CG2-CG 4.39Å; I90-K94 WeakPolarHBondContact O-CB 3.46Å; I90-K94 WeakPolarHBondContact O-CG 3.26Å; I90-K94 PolarHBondContact O-N 2.97Å; D91-K94 PolarHBondContact O-N 3.22Å; K94-L96 VanDerWaalsContact C-N 3.35Å; K94-L96 PolarHBondContact O-N 2.95Å; K94-V97 PolarHBondContact O-N 3.39Å; K94-D98 WeakPolarHBondContact O-CB 3.36Å; K94-D98 PolarHBondContact O-N 3.21Å; K94-A147 HydrophobicContact CG-CB 3.99Å
95L97.5Very high96.2Very high38 Ų3840.1 Ų40.120%0.19922%0.221CC..Hα-helixtrans-56.6-48.5176.717460000111.7W42 I45 K46 D91 T93 D98 L99W42-L95 HydrophobicContact CE3-CD2 3.96Å; W42-L95 HydrophobicContact CZ3-CD2 4.48Å; I45-L95 HydrophobicContact CG2-CD2 4.06Å; I45-L95 HydrophobicContact CG2-CG 4.23Å; K46-L95 HydrophobicContact CB-CD1 4.35Å; K46-L95 HydrophobicContact CB-CD2 4.22Å; K46-L95 HydrophobicContact CG-CD1 4.44Å; D91-L95 WeakPolarHBondContact O-CB 3.34Å; D91-L95 PolarHBondContact O-N 3.35Å; T93-L95 VanDerWaalsContact C-N 3.32Å; T93-L95 PolarHBondContact O-N 3.3Å; L95-D98 PolarHBondContact O-N 2.82Å; L95-L99 HydrophobicContact CD1-CD1 3.92Å; L95-L99 HydrophobicContact CD1-CG 4.29Å; L95-L99 HydrophobicContact CG-CD1 4.25Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.42Å; L95-L99 PolarHBondContact O-N 3.45Å; L95-L99 VanDerWaalsContact O-N 3.14Å
96L97.8Very high96.3Very high0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-69.2-38179.6-66.4174.9000112.2I30 W42 I45 L50 I57 N59 T92 T93 K94 L99 S100 F108I30-L96 HydrophobicContact CD1-CD2 3.88Å; W42-L96 HydrophobicContact CH2-CD1 3.86Å; W42-L96 HydrophobicContact CH2-CG 4.3Å; W42-L96 HydrophobicContact CZ3-CD1 3.99Å; W42-L96 HydrophobicContact CZ3-CD2 4.16Å; W42-L96 HydrophobicContact CZ3-CG 3.9Å; I45-L96 HydrophobicContact CG2-CD2 4.24Å; L50-L96 HydrophobicContact CD2-CD2 3.97Å; I57-L96 HydrophobicContact CG2-CD1 4.08Å; N59-L96 HydrophobicContact CB-CD1 3.79Å; T92-L96 WeakPolarHBondContact O-CG 3.47Å; T92-L96 PolarHBondContact O-N 2.99Å; T93-L96 PolarHBondContact O-N 2.86Å; T93-L96 VanDerWaalsContact O-N 3.14Å; K94-L96 VanDerWaalsContact C-N 3.35Å; K94-L96 PolarHBondContact O-N 2.95Å; L96-L99 PolarHBondContact O-N 3.5Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 3.17Å; L96-S100 PolarHBondContact O-OG 2.75Å; L96-F108 HydrophobicContact CB-CE2 3.8Å; L96-F108 HydrophobicContact CB-CZ 4.23Å
97V97.9Very high96.4Very high9 Ų943.8 Ų43.86%0.05524%0.237CC..Hα-helixtrans-59.2-48.7174.2156.10000110.9T93 K94 L99 S100 K101 F108 A147 Q149 I150T93-V97 HydrophobicContact CG2-CG2 4.31Å; T93-V97 WeakPolarHBondContact O-CB 3.18Å; T93-V97 WeakPolarHBondContact O-CG2 3.38Å; T93-V97 PolarHBondContact O-N 3.37Å; K94-V97 PolarHBondContact O-N 3.39Å; V97-L99 PolarHBondContact O-N 2.84Å; V97-S100 WeakPolarHBondContact O-CB 3.35Å; V97-S100 PolarHBondContact O-N 2.77Å; V97-S100 VanDerWaalsContact O-N 3.12Å; V97-K101 PolarHBondContact O-N 3.03Å; V97-F108 HydrophobicContact CG2-CE1 3.91Å; V97-F108 HydrophobicContact CG2-CZ 3.8Å; V97-A147 WeakPolarHBondContact CG2-O 3.47Å; V97-Q149 WeakPolarHBondContact CG1-O 3.44Å; V97-I150 HydrophobicContact CB-CG1 4.25Å; V97-I150 HydrophobicContact CG1-CG1 3.98Å; V97-I150 HydrophobicContact CG2-CD1 4.18Å; V97-I150 HydrophobicContact CG2-CG1 3.83Å
98D97.4Very high96.6Very high86 Ų8641.5 Ų41.546%0.4622%0.223SC..Hα-helixtrans-60.9-45.2-179.5-77.4-26.8000111.8K94 L95 S100 K101K94-D98 WeakPolarHBondContact O-CB 3.36Å; K94-D98 PolarHBondContact O-N 3.21Å; L95-D98 PolarHBondContact O-N 2.82Å; D98-S100 VanDerWaalsContact C-N 3.29Å; D98-S100 PolarHBondContact O-N 3.42Å; D98-K101 WeakPolarHBondContact O-CB 3.48Å; D98-K101 PolarHBondContact O-N 3.43Å; D98-K101 IonicContact OD1-NZ 2.74Å; D98-K101 PolarHBondContact OD1-NZ 3.38Å
99L97Very high96.8Very high42 Ų4240.5 Ų40.522%0.2222%0.216CC..Hα-helixtrans-68.2-29.5176.6-64.5172.4000112.7I45 L50 L95 L96 V97 K101 A103I45-L99 HydrophobicContact CG2-CD1 3.4Å; I45-L99 VanDerWaalsContact CG2-CD1 3.4Å; L50-L99 HydrophobicContact CD1-CB 3.63Å; L50-L99 HydrophobicContact CD2-CB 4.45Å; L50-L99 HydrophobicContact CD2-CD1 4.39Å; L50-L99 HydrophobicContact CG-CB 3.67Å; L50-L99 HydrophobicContact CG-CD1 4.13Å; L95-L99 HydrophobicContact CD1-CD1 3.92Å; L95-L99 HydrophobicContact CD1-CG 4.29Å; L95-L99 HydrophobicContact CG-CD1 4.25Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.42Å; L95-L99 PolarHBondContact O-N 3.45Å; L95-L99 VanDerWaalsContact O-N 3.14Å; L96-L99 PolarHBondContact O-N 3.5Å; V97-L99 PolarHBondContact O-N 2.84Å; L99-K101 VanDerWaalsContact C-N 3.27Å; L99-K101 PolarHBondContact O-N 2.84Å; L99-A103 WeakPolarHBondContact O-CB 3.49Å
100S97Very high96.9Very high0 Ų039.3 Ų39.30%021%0.211CC..Hα-helixtrans-72.3-17.8179.5-650000113.4I57 L96 V97 D98 S102 R153I57-S100 WeakPolarHBondContact CD1-OG 3.35Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 3.17Å; L96-S100 PolarHBondContact O-OG 2.75Å; V97-S100 WeakPolarHBondContact O-CB 3.35Å; V97-S100 PolarHBondContact O-N 2.77Å; V97-S100 VanDerWaalsContact O-N 3.12Å; D98-S100 VanDerWaalsContact C-N 3.29Å; D98-S100 PolarHBondContact O-N 3.42Å; S100-S102 PolarHBondContact O-N 2.92Å; S100-R153 PolarHBondContact O-NH1 2.76Å
101K96Very high96.9Very high98 Ų9839.2 Ų39.243%0.42621%0.212SC..THydrogen-bonded Turntrans-58.8-33.5-179.1-71.5170.7178.9163.70113.1V97 D98 L99 I150 R153V97-K101 PolarHBondContact O-N 3.03Å; D98-K101 WeakPolarHBondContact O-CB 3.48Å; D98-K101 PolarHBondContact O-N 3.43Å; D98-K101 IonicContact OD1-NZ 2.74Å; D98-K101 PolarHBondContact OD1-NZ 3.38Å; L99-K101 VanDerWaalsContact C-N 3.27Å; L99-K101 PolarHBondContact O-N 2.84Å; K101-I150 HydrophobicContact CG-CG2 4.17Å; K101-R153 WeakPolarHBondContact O-CD 3.39Å
102S91.8Very high97Very high114 Ų11435.4 Ų35.480%0.79719%0.192SC*.THydrogen-bonded Turntrans-118.1-2.7-178.856.70000114.4S100S100-S102 PolarHBondContact O-N 2.92Å
103A93.5Very high97Very high13 Ų1335.9 Ų35.911%0.10720%0.198CC..SBendtrans-79.1146.4-178.700000112L50 L99 I105 R153L50-A103 HydrophobicContact CD1-CB 3.68Å; L99-A103 WeakPolarHBondContact O-CB 3.49Å; A103-I105 HydrophobicContact CB-CG2 4.08Å; A103-I105 PolarHBondContact O-N 3.24Å; A103-R153 PolarHBondContact O-NH1 3.07Å
104P93.4Very high97Very high90 Ų9036.5 Ų36.558%0.58420%0.202SC*.  trans-76.534.1179.135.2-38000113.2S52S52-P104 WeakPolarHBondContact O-CG 3.44Å
105I97.2Very high96.9Very high4 Ų432 Ų322%0.02118%0.184CC..  trans-71.5156.4174.864.6163.6000110.8V54 I57 A103 F108 R153 I156V54-I105 HydrophobicContact CB-CG2 4.41Å; V54-I105 HydrophobicContact CG1-CG2 4.15Å; I57-I105 HydrophobicContact CD1-CD1 4.15Å; I57-I105 HydrophobicContact CD1-CG2 4Å; I57-I105 HydrophobicContact CG1-CG2 4.15Å; A103-I105 HydrophobicContact CB-CG2 4.08Å; A103-I105 PolarHBondContact O-N 3.24Å; I105-F108 HydrophobicContact CD1-CB 4.26Å; I105-R153 PolarHBondContact O-NH2 2.95Å; I105-I156 HydrophobicContact CD1-CD1 3.77Å; I105-I156 HydrophobicContact CG1-CD1 4.19Å; I105-I156 HydrophobicContact CG1-CG2 4.47Å; I105-I156 WeakPolarHBondContact O-CG2 3.41Å
106K97.5Very high96.8Very high114 Ų11430.6 Ų30.650%0.49618%0.177SC..SBendtrans-113.3-22.2178.2-63.6173.1-180169.70112.9D55 I156 R157 L214D55-K106 PolarHBondContact O-N 2.69Å; D55-K106 IonicContact OD1-NZ 3.98Å; K106-I156 WeakPolarHBondContact O-CA 3.43Å; K106-I156 WeakPolarHBondContact O-CB 3.16Å; K106-R157 PolarHBondContact O-N 2.88Å; K106-L214 HydrophobicContact CB-CD1 3.81Å; K106-L214 HydrophobicContact CB-CD2 3.8Å; K106-L214 HydrophobicContact CB-CG 4.47Å; K106-L214 HydrophobicContact CD-CD1 3.51Å; K106-L214 HydrophobicContact CG-CD1 4.3Å
107A98.1Very high96.8Very high0 Ų030.6 Ų30.60%018%0.177CC..EExtended strand (participates in β ladder)trans-144.6141174.800000113.1D55 V56 I57 R157 L214D55-A107 PolarHBondContact O-N 2.86Å; V56-A107 WeakPolarHBondContact CA-O 3.27Å; V56-A107 HydrophobicContact CG1-CB 4.09Å; V56-A107 HydrophobicContact CG2-CB 4.15Å; I57-A107 PolarHBondContact N-O 3.17Å; A107-R157 CarbonylContact C-O 3.5Å; A107-R157 VanDerWaalsContact CA-O 3.25Å; A107-R157 WeakPolarHBondContact CA-O 3.36Å; A107-R157 HydrophobicContact CB-CB 3.99Å; A107-L214 HydrophobicContact CB-CD2 3.92Å
108F98.5Very high96.7Very high0 Ų030.7 Ų30.70%018%0.177CC..EExtended strand (participates in β ladder)trans-123113.7171.8-174.5-95.7000109.5I57 L96 V97 I105 N110 A148 I150 I156 R157 Q158 I159I57-F108 HydrophobicContact CB-CD2 3.95Å; I57-F108 HydrophobicContact CB-CE2 4.39Å; I57-F108 HydrophobicContact CD1-CD2 4.45Å; I57-F108 HydrophobicContact CG2-CD2 3.94Å; I57-F108 HydrophobicContact CG2-CE2 3.87Å; L96-F108 HydrophobicContact CB-CE2 3.8Å; L96-F108 HydrophobicContact CB-CZ 4.23Å; V97-F108 HydrophobicContact CG2-CE1 3.91Å; V97-F108 HydrophobicContact CG2-CZ 3.8Å; I105-F108 HydrophobicContact CD1-CB 4.26Å; F108-N110 HydrophobicContact CD1-CB 4.46Å; F108-N110 HydrophobicContact CE1-CB 3.83Å; F108-N110 HydrophobicContact CZ-CB 4.49Å; F108-A148 HydrophobicContact CE1-CB 4.38Å; F108-I150 HydrophobicContact CB-CD1 3.99Å; F108-I150 HydrophobicContact CD1-CD1 3.98Å; F108-I150 HydrophobicContact CD2-CD1 4.08Å; F108-I150 HydrophobicContact CE1-CD1 4.5Å; F108-I150 HydrophobicContact CG-CD1 3.74Å; F108-I156 HydrophobicContact CB-CD1 4.16Å; F108-R157 PolarHBondContact N-O 3.47Å; F108-Q158 CarbonylContact O-C 3.47Å; F108-Q158 WeakPolarHBondContact O-CA 3.16Å; F108-I159 PolarHBondContact O-N 3.01Å
109I98.6Very high96.5Very high0 Ų028.4 Ų28.40%017%0.167CC..EExtended strand (participates in β ladder)trans-118.5116.4-175.7-58.5165.6000107.9V56 I57 V58 N59 I159 L161 V211 S212V56-I109 HydrophobicContact CG1-CD1 4.03Å; I57-I109 PolarHBondContact O-N 3.46Å; V58-I109 CarbonylContact C-O 3.51Å; V58-I109 VanDerWaalsContact CA-O 3.27Å; V58-I109 WeakPolarHBondContact CA-O 3.38Å; V58-I109 HydrophobicContact CG1-CB 4.43Å; V58-I109 HydrophobicContact CG1-CG2 4.35Å; V58-I109 HydrophobicContact CG2-CB 4.35Å; V58-I109 HydrophobicContact CG2-CD1 4.29Å; N59-I109 PolarHBondContact N-O 2.92Å; I109-I159 HydrophobicContact CG1-CB 4.2Å; I109-I159 HydrophobicContact CG1-CG1 4.44Å; I109-I159 HydrophobicContact CG2-CB 4.26Å; I109-I159 HydrophobicContact CG2-CG2 4.35Å; I109-L161 HydrophobicContact CG2-CD1 3.48Å; I109-L161 VanDerWaalsContact CG2-CD1 3.48Å; I109-L161 HydrophobicContact CG2-CD2 4Å; I109-L161 HydrophobicContact CG2-CG 3.69Å; I109-V211 HydrophobicContact CD1-CG2 4.07Å; I109-S212 VanDerWaalsContact CD1-CB 3.42Å
110N98.7Very high96.4Very high0 Ų029.3 Ų29.30%017%0.172CC..EExtended strand (participates in β ladder)trans-115137.6-177.1-169.767.5000110.6N59 T93 F108 W144 A148 I159 Q160 L161N59-N110 WeakPolarHBondContact CB-OD1 3.4Å; N59-N110 PolarHBondContact ND2-OD1 2.58Å; T93-N110 PolarHBondContact OG1-OD1 2.8Å; F108-N110 HydrophobicContact CD1-CB 4.46Å; F108-N110 HydrophobicContact CE1-CB 3.83Å; F108-N110 HydrophobicContact CZ-CB 4.49Å; N110-W144 PolarHBondContact ND2-NE1 3.2Å; N110-W144 VanDerWaalsContact ND2-NE1 3.17Å; N110-A148 HydrophobicContact CB-CB 3.92Å; N110-A148 WeakPolarHBondContact ND2-CB 3.21Å; N110-I159 PolarHBondContact N-O 3.1Å; N110-Q160 WeakPolarHBondContact O-CA 3.46Å; N110-L161 PolarHBondContact O-N 2.89Å
111A98.5Very high96.2Very high9 Ų933.6 Ų33.67%0.07420%0.195CC..EExtended strand (participates in β ladder)trans-61.5146.2170.300000110.9N59 L60 W144N59-A111 WeakPolarHBondContact O-CB 3.29Å; N59-A111 PolarHBondContact O-N 2.59Å; L60-A111 HydrophobicContact CD2-CB 4.08Å; A111-W144 HydrophobicContact CB-CH2 3.42Å; A111-W144 VanDerWaalsContact CB-CH2 3.42Å; A111-W144 HydrophobicContact CB-CZ2 3.55Å; A111-W144 HydrophobicContact CB-CZ3 4.45Å; A111-W144 WeakPolarHBondContact O-CH2 3.25Å; A111-W144 WeakPolarHBondContact O-CZ2 3.24Å
112S98.1Very high96.2Very high5 Ų537.2 Ų37.24%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-144.5-166.1169.7-176.50000107.2V141 E145 L161 T163S112-V141 VanDerWaalsContact OG-CG1 3.3Å; S112-V141 WeakPolarHBondContact OG-CG1 3.44Å; S112-E145 WeakPolarHBondContact CB-OE1 3.39Å; S112-E145 WeakPolarHBondContact OG-CG 3.43Å; S112-E145 PolarHBondContact OG-OE1 2.98Å; S112-L161 CarbonylContact C-O 3.6Å; S112-L161 VanDerWaalsContact CA-O 3.31Å; S112-L161 WeakPolarHBondContact CA-O 3.34Å; S112-L161 PolarHBondContact N-O 3.22Å; S112-T163 PolarHBondContact O-N 3.23Å
113A97.5Very high96.5Very high27 Ų2734.5 Ų34.522%0.22319%0.192CC..EExtended strand (participates in β ladder)trans-144.3156.2176.700000111.9G115 F116 V141A113-G115 PolarHBondContact O-N 3.48Å; A113-G115 VanDerWaalsContact O-N 3.08Å; A113-F116 WeakPolarHBondContact O-CB 3.48Å; A113-F116 PolarHBondContact O-N 3.12Å; A113-F116 VanDerWaalsContact O-N 3.1Å; A113-V141 HydrophobicContact CB-CG2 3.96Å
114V97.1Very high96.7Very high14 Ų1437.1 Ų37.19%0.08521%0.206CC..G310 helixtrans-61-13.7168-65.40000113.1F116 Y117 T163 T226 V279V114-F116 PolarHBondContact O-N 3.25Å; V114-Y117 HydrophobicContact CB-CD2 4.34Å; V114-Y117 VanDerWaalsContact O-CD2 3.25Å; V114-Y117 WeakPolarHBondContact O-CD2 3.37Å; V114-Y117 PolarHBondContact O-N 2.84Å; V114-T163 PolarHBondContact N-O 3.05Å; V114-T226 HydrophobicContact CG1-CG2 3.64Å; V114-V279 HydrophobicContact CB-CG2 4.07Å; V114-V279 HydrophobicContact CG1-CB 4.23Å; V114-V279 HydrophobicContact CG1-CG1 4.12Å; V114-V279 HydrophobicContact CG1-CG2 4.02Å
115G95.6Very high96.9Very high8 Ų834.2 Ų34.28%0.08218%0.184CC..G310 helixtrans-59.9-4.9168.500000114.6A113 Y117 T138A113-G115 PolarHBondContact O-N 3.48Å; A113-G115 VanDerWaalsContact O-N 3.08Å; G115-Y117 VanDerWaalsContact C-N 3.26Å; G115-T138 VanDerWaalsContact O-CA 3.26Å; G115-T138 WeakPolarHBondContact O-CA 3.45Å; G115-T138 VanDerWaalsContact O-CG2 3.29Å; G115-T138 WeakPolarHBondContact O-CG2 3.33Å
116F96.6Very high97Very high10 Ų1036 Ų364%0.04419%0.193CC..G310 helixtrans-59.5-36.5163.5-176.6-91.6000112.4A113 V114 P131 V141 N142 E145A113-F116 WeakPolarHBondContact O-CB 3.48Å; A113-F116 PolarHBondContact O-N 3.12Å; A113-F116 VanDerWaalsContact O-N 3.1Å; V114-F116 PolarHBondContact O-N 3.25Å; F116-P131 HydrophobicContact CE1-CB 4.18Å; F116-P131 HydrophobicContact CE2-CB 3.78Å; F116-P131 HydrophobicContact CZ-CB 3.39Å; F116-P131 HydrophobicContact CZ-CG 4.08Å; F116-V141 HydrophobicContact CB-CG1 3.71Å; F116-V141 HydrophobicContact CD2-CG1 4.23Å; F116-V141 HydrophobicContact CG-CG1 4.5Å; F116-N142 VanDerWaalsContact CD2-OD1 3.29Å; F116-N142 WeakPolarHBondContact CD2-OD1 3.25Å; F116-N142 VanDerWaalsContact CE2-OD1 3.27Å; F116-N142 WeakPolarHBondContact CE2-OD1 3.23Å; F116-E145 WeakPolarHBondContact CD2-OE2 3.3Å; F116-E145 WeakPolarHBondContact CE2-OE2 3.3Å
117Y96.7Very high97Very high0 Ų031.3 Ų31.30%017%0.173CC..SBendtrans-88.2138-176.8-48.7-70.2000110.7V114 G115 Y125 D126 A129 R162 N224 Q277 V279V114-Y117 HydrophobicContact CB-CD2 4.34Å; V114-Y117 VanDerWaalsContact O-CD2 3.25Å; V114-Y117 WeakPolarHBondContact O-CD2 3.37Å; V114-Y117 PolarHBondContact O-N 2.84Å; G115-Y117 VanDerWaalsContact C-N 3.26Å; Y117-Y125 AromaticContact CD1-CD1 3.96Å; Y117-Y125 HydrophobicContact CD1-CD1 3.96Å; Y117-Y125 AromaticContact CD1-CG 3.91Å; Y117-Y125 HydrophobicContact CD1-CG 3.91Å; Y117-Y125 HydrophobicContact CG-CD1 4.31Å; Y117-Y125 HydrophobicContact CG-CD2 4.24Å; Y117-Y125 AromaticContact CG-CG 3.89Å; Y117-Y125 HydrophobicContact CG-CG 3.89Å; Y117-D126 WeakPolarHBondContact CE1-O 3.48Å; Y117-D126 PolarHBondContact OH-O 2.85Å; Y117-A129 HydrophobicContact CD1-CB 4.04Å; Y117-A129 HydrophobicContact CE1-CB 3.95Å; Y117-R162 VanDerWaalsContact OH-CD 3.25Å; Y117-R162 WeakPolarHBondContact OH-CD 3.27Å; Y117-R162 PolarHBondContact OH-NH1 3Å; Y117-N224 VanDerWaalsContact CE2-OD1 3.29Å; Y117-N224 WeakPolarHBondContact CE2-OD1 3.3Å; Y117-N224 VanDerWaalsContact OH-CG 3.28Å; Y117-N224 PolarHBondContact OH-ND2 2.85Å; Y117-N224 PolarHBondContact OH-OD1 3.38Å; Y117-Q277 WeakPolarHBondContact O-CG 3.4Å; Y117-Q277 PolarHBondContact O-NE2 3.49Å; Y117-V279 HydrophobicContact CD2-CG1 4.32Å; Y117-V279 HydrophobicContact CD2-CG2 3.62Å; Y117-V279 HydrophobicContact CE2-CG1 3.77Å; Y117-V279 HydrophobicContact CE2-CG2 3.95Å
118P95.1Very high96.9Very high11 Ų1136.2 Ų36.27%0.07121%0.208CC..PPolyproline II helixtrans-57.2139.4171.2-23.432.8000111.2D120 Y125 R132 Q277P118-D120 PolarHBondContact O-N 3.27Å; P118-Y125 WeakPolarHBondContact O-CE2 3.47Å; P118-Y125 PolarHBondContact O-OH 3.38Å; P118-R132 HydrophobicContact CG-CB 3.64Å; P118-R132 HydrophobicContact CG-CG 3.93Å; P118-Q277 WeakPolarHBondContact O-CG 3.46Å
119P93.8Very high96.8Very high38 Ų3837.1 Ų37.125%0.24722%0.215CC..PPolyproline II helixtrans-63.3134.1169.9-17.930000112.2D275 G276P119-D275 HydrophobicContact CB-CB 3.56Å; P119-D275 HydrophobicContact CG-CB 3.7Å; P119-G276 WeakPolarHBondContact CA-O 3.46Å
120D94.3Very high96.5Very high60 Ų6041.8 Ų41.832%0.32125%0.246SC..  trans-158142.8177.4-167.7-94.4000110.5P118 Q122 T123 G276P118-D120 PolarHBondContact O-N 3.27Å; D120-Q122 WeakPolarHBondContact OD1-CA 3.37Å; D120-Q122 PolarHBondContact OD1-N 3.12Å; D120-T123 VanDerWaalsContact CG-OG1 3.28Å; D120-T123 WeakPolarHBondContact OD1-CB 3.45Å; D120-T123 PolarHBondContact OD1-N 3.08Å; D120-T123 PolarHBondContact OD1-OG1 3.13Å; D120-G276 PolarHBondContact N-O 3.42Å
121L94.8Very high96Very high91 Ų9145.8 Ų45.848%0.47627%0.272SS..SBendtrans-83.9-16.9-177.3-64-177.9000113.4R193 Q194 W195L121-R193 HydrophobicContact CD2-CB 4.35Å; L121-Q194 HydrophobicContact CD2-CB 4.48Å; L121-W195 PolarHBondContact O-NE1 3.08Å
122Q96Very high95.7Very high173 Ų17353.4 Ų53.481%0.80830%0.298SS*.SBendtrans-114.3-36-172.8-60.6-1760.700112.1D120D120-Q122 WeakPolarHBondContact OD1-CA 3.37Å; D120-Q122 PolarHBondContact OD1-N 3.12Å
123T96.7Very high95.3Very high57 Ų5757.1 Ų57.135%0.3532%0.318SS..  trans-72.6133.3-173.4-53.60000110.7D120 Y125D120-T123 VanDerWaalsContact CG-OG1 3.28Å; D120-T123 WeakPolarHBondContact OD1-CB 3.45Å; D120-T123 PolarHBondContact OD1-N 3.08Å; D120-T123 PolarHBondContact OD1-OG1 3.13Å; T123-Y125 HydrophobicContact CG2-CD1 4.08Å; T123-Y125 HydrophobicContact CG2-CD2 4.38Å; T123-Y125 HydrophobicContact CG2-CE1 3.56Å; T123-Y125 HydrophobicContact CG2-CE2 3.91Å; T123-Y125 HydrophobicContact CG2-CG 4.46Å; T123-Y125 VanDerWaalsContact CG2-CZ 3.47Å
124T97.8Very high95Very high68 Ų6859.2 Ų59.242%0.41733%0.33SS..EExtended strand (participates in β ladder)trans-105126.6170.1-56.60000108.4R278 I280T124-R278 CarbonylContact C-O 3.56Å; T124-R278 WeakPolarHBondContact CA-O 3.46Å; T124-R278 HydrophobicContact CG2-CG 4.27Å; T124-R278 WeakPolarHBondContact OG1-CD 3.42Å; T124-I280 HydrophobicContact CG2-CD1 4.34Å; T124-I280 HydrophobicContact CG2-CG1 3.48Å; T124-I280 VanDerWaalsContact CG2-CG1 3.48Å
125Y98.2Very high94.8Very high29 Ų2960.4 Ų60.411%0.11434%0.336CS..EExtended strand (participates in β ladder)trans-104.3145.8180-61.3-75.7000111.1Y117 P118 T123 A129 Q277 R278 V279 I280Y117-Y125 AromaticContact CD1-CD1 3.96Å; Y117-Y125 HydrophobicContact CD1-CD1 3.96Å; Y117-Y125 AromaticContact CD1-CG 3.91Å; Y117-Y125 HydrophobicContact CD1-CG 3.91Å; Y117-Y125 HydrophobicContact CG-CD1 4.31Å; Y117-Y125 HydrophobicContact CG-CD2 4.24Å; Y117-Y125 AromaticContact CG-CG 3.89Å; Y117-Y125 HydrophobicContact CG-CG 3.89Å; P118-Y125 WeakPolarHBondContact O-CE2 3.47Å; P118-Y125 PolarHBondContact O-OH 3.38Å; T123-Y125 HydrophobicContact CG2-CD1 4.08Å; T123-Y125 HydrophobicContact CG2-CD2 4.38Å; T123-Y125 HydrophobicContact CG2-CE1 3.56Å; T123-Y125 HydrophobicContact CG2-CE2 3.91Å; T123-Y125 HydrophobicContact CG2-CG 4.46Å; T123-Y125 VanDerWaalsContact CG2-CZ 3.47Å; Y125-A129 HydrophobicContact CD1-CB 3.74Å; Y125-Q277 HydrophobicContact CD2-CB 4.22Å; Y125-R278 PolarHBondContact N-O 2.89Å; Y125-V279 WeakPolarHBondContact O-CA 3.38Å; Y125-I280 PolarHBondContact O-N 3.26Å
126D98.1Very high94.7Very high41 Ų4161.7 Ų61.722%0.21934%0.339CS..  trans-130.2-175.4161.168.822.7000109.9Y117 S128 A129 R282Y117-D126 WeakPolarHBondContact CE1-O 3.48Å; Y117-D126 PolarHBondContact OH-O 2.85Å; D126-S128 PolarHBondContact O-N 2.83Å; D126-S128 VanDerWaalsContact OD1-CB 3.3Å; D126-S128 WeakPolarHBondContact OD1-CB 3.12Å; D126-S128 PolarHBondContact OD1-N 2.94Å; D126-S128 PolarHBondContact OD1-OG 3.26Å; D126-A129 PolarHBondContact O-N 2.85Å; D126-A129 VanDerWaalsContact O-N 3.17Å; D126-R282 HydrophobicContact CB-CB 3.8Å
127E98Very high94.5Very high16 Ų1661.8 Ų61.88%0.07534%0.34CS..THydrogen-bonded Turntrans-63.2-11.1-175.7-6391.1157.900114.7P222 N224 R282 K283E127-P222 HydrophobicContact CB-CG 4.32Å; E127-N224 HydrophobicContact CG-CB 4.25Å; E127-N224 PolarHBondContact N-ND2 2.84Å; E127-N224 WeakPolarHBondContact OE1-CB 3.31Å; E127-N224 PolarHBondContact OE1-N 2.82Å; E127-R282 WeakPolarHBondContact OE2-CB 3.46Å; E127-R282 PolarHBondContact OE2-N 2.75Å; E127-R282 VanDerWaalsContact OE2-N 3.13Å; E127-K283 HydrophobicContact CB-CD 4.31Å; E127-K283 HydrophobicContact CB-CG 4.26Å; E127-K283 HydrophobicContact CG-CD 4.23Å; E127-K283 HydrophobicContact CG-CG 4.16Å; E127-K283 PolarHBondContact OE1-N 2.75Å; E127-K283 PolarHBondContact OE2-N 3.26Å
128S96.9Very high94.5Very high103 Ų10361.9 Ų61.972%0.7234%0.341SS*.THydrogen-bonded Turntrans-83.3-14.4177.3730000113.9D126D126-S128 PolarHBondContact O-N 2.83Å; D126-S128 VanDerWaalsContact OD1-CB 3.3Å; D126-S128 WeakPolarHBondContact OD1-CB 3.12Å; D126-S128 PolarHBondContact OD1-N 2.94Å; D126-S128 PolarHBondContact OD1-OG 3.26Å
129A96.5Very high94.5Very high19 Ų1963.8 Ų63.816%0.15735%0.35CS..SBendtrans-66.9134.4-177.900000111.5Y117 Y125 D126Y117-A129 HydrophobicContact CD1-CB 4.04Å; Y117-A129 HydrophobicContact CE1-CB 3.95Å; Y125-A129 HydrophobicContact CD1-CB 3.74Å; D126-A129 PolarHBondContact O-N 2.85Å; D126-A129 VanDerWaalsContact O-N 3.17Å
130P92.7Very high94.6Very high99 Ų9962.1 Ų62.164%0.64334%0.34SS*.PPolyproline II helixtrans-71.1157.6-177.530.3-35.8000111.9
131P87.8Confident94.7Very high84 Ų8459.5 Ų59.555%0.54533%0.325SS..PPolyproline II helixtrans-61.2139.9170.424.8-30.6000110.1F116F116-P131 HydrophobicContact CE1-CB 4.18Å; F116-P131 HydrophobicContact CE2-CB 3.78Å; F116-P131 HydrophobicContact CZ-CB 3.39Å; F116-P131 HydrophobicContact CZ-CG 4.08Å
132R91.3Very high94.8Very high168 Ų16856 Ų5663%0.63431%0.307SS*.  trans-140.2113167.6177.2177.4-177.8-166.51.5108.8P118 C134P118-R132 HydrophobicContact CG-CB 3.64Å; P118-R132 HydrophobicContact CG-CG 3.93Å; R132-C134 PolarHBondContact O-N 3.17Å
133D89.5Confident94.8Very high84 Ų8451.6 Ų51.645%0.44929%0.287SS..  trans-81.7117.5174.5-163.76.2000110.4T138 N139D133-T138 PolarHBondContact OD1-OG1 3.36Å; D133-N139 VanDerWaalsContact OD1-CA 3.32Å; D133-N139 WeakPolarHBondContact OD1-CA 3.45Å; D133-N139 VanDerWaalsContact OD1-CB 3.32Å; D133-N139 WeakPolarHBondContact OD1-CB 3.41Å; D133-N139 PolarHBondContact OD1-N 2.7Å; D133-N139 WeakPolarHBondContact OD2-CB 3.4Å; D133-N139 PolarHBondContact OD2-ND2 3.03Å
134C92.4Very high94.9Very high70 Ų7049.6 Ų49.647%0.47327%0.273SS..  trans-136.6-12.4-180610000114.2R132 T138R132-C134 PolarHBondContact O-N 3.17Å; C134-T138 PolarHBondContact N-OG1 3.04Å
135N92Very high94.9Very high39 Ų3946.9 Ų46.921%0.20926%0.255CS..SBendtrans-156.3177.7179.464.243.9000111.6I137 T138 N139N135-I137 VanDerWaalsContact C-N 3.26Å; N135-I137 PolarHBondContact O-N 2.84Å; N135-I137 WeakPolarHBondContact OD1-CA 3.29Å; N135-I137 WeakPolarHBondContact OD1-CB 3.38Å; N135-I137 PolarHBondContact OD1-N 3.14Å; N135-T138 PolarHBondContact N-OG1 2.71Å; N135-T138 PolarHBondContact O-N 3.48Å; N135-T138 PolarHBondContact O-OG1 2.9Å; N135-T138 PolarHBondContact OD1-N 3.21Å; N135-T138 PolarHBondContact OD1-OG1 2.8Å; N135-N139 WeakPolarHBondContact O-CB 3.45Å; N135-N139 PolarHBondContact O-N 3.32Å
136F93Very high94.8Very high35 Ų3551 Ų5115%0.15428%0.279CS..Hα-helixtrans-53.2-39.4178.9174.4-96.3000114I65 I82 F86 L140 D268 R269I65-F136 HydrophobicContact CD1-CE1 4.23Å; I82-F136 HydrophobicContact CD1-CE1 4.34Å; I82-F136 HydrophobicContact CD1-CE2 4.26Å; I82-F136 HydrophobicContact CD1-CZ 3.66Å; I82-F136 HydrophobicContact CG2-CE2 3.59Å; I82-F136 HydrophobicContact CG2-CZ 3.76Å; F86-F136 HydrophobicContact CE2-CD2 4.36Å; F86-F136 AromaticContact CE2-CE2 3.5Å; F86-F136 HydrophobicContact CE2-CE2 3.5Å; F86-F136 AromaticContact CE2-CZ 3.62Å; F86-F136 HydrophobicContact CE2-CZ 3.62Å; F86-F136 HydrophobicContact CZ-CE2 4.1Å; F86-F136 HydrophobicContact CZ-CZ 4.43Å; F136-L140 WeakPolarHBondContact O-CB 3.39Å; F136-L140 PolarHBondContact O-N 2.88Å; F136-L140 VanDerWaalsContact O-N 3.1Å; F136-D268 HydrophobicContact CB-CB 3.7Å; F136-D268 HydrophobicContact CD1-CB 3.91Å; F136-D268 HydrophobicContact CD2-CB 4.1Å; F136-D268 HydrophobicContact CG-CB 3.65Å; F136-R269 HydrophobicContact CE1-CG 4.15Å
137I94Very high94.8Very high13 Ų1349.6 Ų49.67%0.06727%0.274CS..Hα-helixtrans-75.3-45.2-176.7-59.6-60.7000111.1I65 N135 N139 L140 V141 T271 L272I65-I137 HydrophobicContact CD1-CD1 3.52Å; N135-I137 VanDerWaalsContact C-N 3.26Å; N135-I137 PolarHBondContact O-N 2.84Å; N135-I137 WeakPolarHBondContact OD1-CA 3.29Å; N135-I137 WeakPolarHBondContact OD1-CB 3.38Å; N135-I137 PolarHBondContact OD1-N 3.14Å; I137-N139 VanDerWaalsContact C-N 3.28Å; I137-N139 PolarHBondContact O-N 2.84Å; I137-L140 PolarHBondContact O-N 2.85Å; I137-V141 HydrophobicContact CG2-CG2 4.44Å; I137-V141 VanDerWaalsContact O-CG2 3.31Å; I137-V141 WeakPolarHBondContact O-CG2 3.41Å; I137-V141 PolarHBondContact O-N 3.43Å; I137-T271 WeakPolarHBondContact CG1-OG1 3.47Å; I137-L272 HydrophobicContact CD1-CD1 4.15Å; I137-L272 HydrophobicContact CD1-CD2 3.62Å; I137-L272 HydrophobicContact CD1-CG 3.77Å; I137-L272 HydrophobicContact CG1-CD2 3.95Å; I137-L272 HydrophobicContact CG1-CG 4.14Å; I137-L272 HydrophobicContact CG2-CD2 4.21Å
138T94.9Very high94.8Very high1 Ų148.9 Ų48.91%0.00627%0.27CS..Hα-helixtrans-60.6-41.6175.5540000111G115 D133 C134 N135 V141 N142G115-T138 VanDerWaalsContact O-CA 3.26Å; G115-T138 WeakPolarHBondContact O-CA 3.45Å; G115-T138 VanDerWaalsContact O-CG2 3.29Å; G115-T138 WeakPolarHBondContact O-CG2 3.33Å; D133-T138 PolarHBondContact OD1-OG1 3.36Å; C134-T138 PolarHBondContact N-OG1 3.04Å; N135-T138 PolarHBondContact N-OG1 2.71Å; N135-T138 PolarHBondContact O-N 3.48Å; N135-T138 PolarHBondContact O-OG1 2.9Å; N135-T138 PolarHBondContact OD1-N 3.21Å; N135-T138 PolarHBondContact OD1-OG1 2.8Å; T138-V141 PolarHBondContact O-N 3.14Å; T138-N142 WeakPolarHBondContact O-CB 3.22Å; T138-N142 PolarHBondContact O-N 3.21Å; T138-N142 PolarHBondContact O-ND2 3.29Å
139N95.2Very high94.8Very high51 Ų5148 Ų4827%0.27326%0.255SS..Hα-helixtrans-60.7-48.6177.7-177.3-100.6000111.9D133 N135 I137 V141 N142 Q143D133-N139 VanDerWaalsContact OD1-CA 3.32Å; D133-N139 WeakPolarHBondContact OD1-CA 3.45Å; D133-N139 VanDerWaalsContact OD1-CB 3.32Å; D133-N139 WeakPolarHBondContact OD1-CB 3.41Å; D133-N139 PolarHBondContact OD1-N 2.7Å; D133-N139 WeakPolarHBondContact OD2-CB 3.4Å; D133-N139 PolarHBondContact OD2-ND2 3.03Å; N135-N139 WeakPolarHBondContact O-CB 3.45Å; N135-N139 PolarHBondContact O-N 3.32Å; I137-N139 VanDerWaalsContact C-N 3.28Å; I137-N139 PolarHBondContact O-N 2.84Å; N139-V141 PolarHBondContact O-N 3.42Å; N139-N142 PolarHBondContact O-N 2.95Å; N139-Q143 WeakPolarHBondContact O-CG 3.43Å; N139-Q143 PolarHBondContact O-N 3.39Å; N139-Q143 PolarHBondContact OD1-NE2 3.48Å
140L95.9Very high94.8Very high4 Ų447 Ų472%0.02125%0.247CC..Hα-helixtrans-58.1-47.3176.9172.462.4000111.7I65 V85 F86 F136 I137 W144I65-L140 HydrophobicContact CD1-CD2 3.69Å; V85-L140 HydrophobicContact CG1-CD2 3.67Å; F86-L140 HydrophobicContact CB-CD1 4.42Å; F86-L140 HydrophobicContact CD1-CD1 3.61Å; F86-L140 HydrophobicContact CD2-CD1 3.94Å; F86-L140 HydrophobicContact CE1-CB 3.99Å; F86-L140 HydrophobicContact CE1-CD1 3.7Å; F86-L140 HydrophobicContact CE1-CG 4.46Å; F86-L140 HydrophobicContact CE2-CB 4.28Å; F86-L140 HydrophobicContact CE2-CD1 4.02Å; F86-L140 HydrophobicContact CG-CD1 3.73Å; F86-L140 HydrophobicContact CZ-CB 3.73Å; F86-L140 HydrophobicContact CZ-CD1 3.92Å; F86-L140 HydrophobicContact CZ-CG 4.36Å; F136-L140 WeakPolarHBondContact O-CB 3.39Å; F136-L140 PolarHBondContact O-N 2.88Å; F136-L140 VanDerWaalsContact O-N 3.1Å; I137-L140 PolarHBondContact O-N 2.85Å; L140-W144 VanDerWaalsContact O-CB 3.32Å; L140-W144 WeakPolarHBondContact O-CB 3.37Å; L140-W144 PolarHBondContact O-N 2.83Å
141V97Very high94.9Very high4 Ų448 Ų482%0.02425%0.253CS..Hα-helixtrans-70-40.3-176-179.60000111.2S112 A113 F116 I137 T138 N139 W144 E145S112-V141 VanDerWaalsContact OG-CG1 3.3Å; S112-V141 WeakPolarHBondContact OG-CG1 3.44Å; A113-V141 HydrophobicContact CB-CG2 3.96Å; F116-V141 HydrophobicContact CB-CG1 3.71Å; F116-V141 HydrophobicContact CD2-CG1 4.23Å; F116-V141 HydrophobicContact CG-CG1 4.5Å; I137-V141 HydrophobicContact CG2-CG2 4.44Å; I137-V141 VanDerWaalsContact O-CG2 3.31Å; I137-V141 WeakPolarHBondContact O-CG2 3.41Å; I137-V141 PolarHBondContact O-N 3.43Å; T138-V141 PolarHBondContact O-N 3.14Å; N139-V141 PolarHBondContact O-N 3.42Å; V141-W144 PolarHBondContact O-N 3.17Å; V141-E145 HydrophobicContact CG1-CG 4.48Å; V141-E145 PolarHBondContact O-N 3.1Å
142N96.5Very high95.3Very high18 Ų1847.4 Ų47.410%0.09625%0.251CS..Hα-helixtrans-58.7-51.3174.3-70.6-22.5000111F116 T138 N139 W144 E145 D146F116-N142 VanDerWaalsContact CD2-OD1 3.29Å; F116-N142 WeakPolarHBondContact CD2-OD1 3.25Å; F116-N142 VanDerWaalsContact CE2-OD1 3.27Å; F116-N142 WeakPolarHBondContact CE2-OD1 3.23Å; T138-N142 WeakPolarHBondContact O-CB 3.22Å; T138-N142 PolarHBondContact O-N 3.21Å; T138-N142 PolarHBondContact O-ND2 3.29Å; N139-N142 PolarHBondContact O-N 2.95Å; N142-W144 PolarHBondContact O-N 2.94Å; N142-E145 PolarHBondContact O-N 2.79Å; N142-D146 WeakPolarHBondContact O-CB 3.41Å; N142-D146 VanDerWaalsContact O-CG 3.24Å; N142-D146 PolarHBondContact O-N 3.25Å
143Q96.9Very high95.5Very high80 Ų8040.8 Ų40.837%0.37423%0.226SC..Hα-helixtrans-61.2-33.9177.4-70.9-171.661.500112.8I90 N139 A147I90-Q143 HydrophobicContact CD1-CB 3.78Å; N139-Q143 WeakPolarHBondContact O-CG 3.43Å; N139-Q143 PolarHBondContact O-N 3.39Å; N139-Q143 PolarHBondContact OD1-NE2 3.48Å; Q143-A147 VanDerWaalsContact O-CB 3.26Å; Q143-A147 WeakPolarHBondContact O-CB 3.24Å; Q143-A147 PolarHBondContact O-N 2.91Å
144W97.6Very high95.7Very high15 Ų1542.5 Ų42.56%0.05724%0.242CC..Hα-helixtrans-70.4-42.5177.3-170.616.1000112.3R89 T93 N110 A111 L140 V141 N142 A147 A148R89-W144 HydrophobicContact CB-CD2 4.01Å; R89-W144 HydrophobicContact CB-CG 4.07Å; R89-W144 HydrophobicContact CB-CZ2 4.34Å; R89-W144 HydrophobicContact CG-CD2 4.12Å; R89-W144 HydrophobicContact CG-CE3 4.37Å; R89-W144 HydrophobicContact CG-CH2 4.2Å; R89-W144 HydrophobicContact CG-CZ2 3.92Å; R89-W144 HydrophobicContact CG-CZ3 4.43Å; T93-W144 PolarHBondContact OG1-NE1 3.18Å; N110-W144 PolarHBondContact ND2-NE1 3.2Å; N110-W144 VanDerWaalsContact ND2-NE1 3.17Å; A111-W144 HydrophobicContact CB-CH2 3.42Å; A111-W144 VanDerWaalsContact CB-CH2 3.42Å; A111-W144 HydrophobicContact CB-CZ2 3.55Å; A111-W144 HydrophobicContact CB-CZ3 4.45Å; A111-W144 WeakPolarHBondContact O-CH2 3.25Å; A111-W144 WeakPolarHBondContact O-CZ2 3.24Å; L140-W144 VanDerWaalsContact O-CB 3.32Å; L140-W144 WeakPolarHBondContact O-CB 3.37Å; L140-W144 PolarHBondContact O-N 2.83Å; V141-W144 PolarHBondContact O-N 3.17Å; N142-W144 PolarHBondContact O-N 2.94Å; W144-A147 PolarHBondContact O-N 3.07Å; W144-A148 PolarHBondContact O-N 3.41Å
145E97.8Very high95.8Very high11 Ų1144.2 Ų44.25%0.05125%0.246CC..Hα-helixtrans-67.1-39.8174.8-71.9-165.6-177.400111.8S112 F116 V141 N142 A147 A148 Q149 Q160 R162S112-E145 WeakPolarHBondContact CB-OE1 3.39Å; S112-E145 WeakPolarHBondContact OG-CG 3.43Å; S112-E145 PolarHBondContact OG-OE1 2.98Å; F116-E145 WeakPolarHBondContact CD2-OE2 3.3Å; F116-E145 WeakPolarHBondContact CE2-OE2 3.3Å; V141-E145 HydrophobicContact CG1-CG 4.48Å; V141-E145 PolarHBondContact O-N 3.1Å; N142-E145 PolarHBondContact O-N 2.79Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.21Å; E145-A148 WeakPolarHBondContact O-CB 3.48Å; E145-A148 PolarHBondContact O-N 2.91Å; E145-A148 VanDerWaalsContact O-N 3.12Å; E145-Q149 WeakPolarHBondContact O-CG 3.23Å; E145-Q149 PolarHBondContact O-NE2 3.49Å; E145-Q160 HydrophobicContact CG-CB 4.27Å; E145-Q160 HydrophobicContact CG-CG 4.17Å; E145-R162 VanDerWaalsContact OE1-CG 3.24Å; E145-R162 WeakPolarHBondContact OE1-CG 3.21Å; E145-R162 IonicContact OE1-CZ 2.76Å; E145-R162 IonicContact OE1-NE 2.92Å; E145-R162 PolarHBondContact OE1-NE 2.97Å; E145-R162 IonicContact OE1-NH2 3.76Å; E145-R162 IonicContact OE2-CZ 3.17Å; E145-R162 IonicContact OE2-NE 3.94Å; E145-R162 PolarHBondContact OE2-NE 3.08Å; E145-R162 IonicContact OE2-NH2 2.66Å; E145-R162 PolarHBondContact OE2-NH2 2.75Å
146D96.9Very high96Very high116 Ų11642.6 Ų42.662%0.6224%0.238SC*.Hα-helixtrans-61.5-42.6175-71.2-19.3000111.3N142 A148 Q149N142-D146 WeakPolarHBondContact O-CB 3.41Å; N142-D146 VanDerWaalsContact O-CG 3.24Å; N142-D146 PolarHBondContact O-N 3.25Å; D146-A148 PolarHBondContact O-N 3.43Å; D146-Q149 PolarHBondContact O-N 3.22Å
147A97.7Very high96.3Very high12 Ų1242.5 Ų42.510%0.09924%0.236CC..Hα-helixtrans-64.9-20.7176.300000113.8I90 T93 K94 V97 Q143 W144 E145I90-A147 HydrophobicContact CG2-CB 4.08Å; T93-A147 HydrophobicContact CG2-CB 4.29Å; K94-A147 HydrophobicContact CG-CB 3.99Å; V97-A147 WeakPolarHBondContact CG2-O 3.47Å; Q143-A147 VanDerWaalsContact O-CB 3.26Å; Q143-A147 WeakPolarHBondContact O-CB 3.24Å; Q143-A147 PolarHBondContact O-N 2.91Å; W144-A147 PolarHBondContact O-N 3.07Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.21Å
148A98Very high96.5Very high0 Ų042.8 Ų42.80%024%0.237CC..THydrogen-bonded Turntrans-89.9-2.4-176.900000114.2T93 F108 N110 W144 E145 D146T93-A148 VanDerWaalsContact CG2-CA 3.46Å; T93-A148 HydrophobicContact CG2-CB 3.66Å; F108-A148 HydrophobicContact CE1-CB 4.38Å; N110-A148 HydrophobicContact CB-CB 3.92Å; N110-A148 WeakPolarHBondContact ND2-CB 3.21Å; W144-A148 PolarHBondContact O-N 3.41Å; E145-A148 WeakPolarHBondContact O-CB 3.48Å; E145-A148 PolarHBondContact O-N 2.91Å; E145-A148 VanDerWaalsContact O-N 3.12Å; D146-A148 PolarHBondContact O-N 3.43Å
149Q96.6Very high96.6Very high84 Ų8442.8 Ų42.839%0.39324%0.237SC..  trans-79.2136.3-176.7-56.8-54-50.300112V97 E145 D146 P151V97-Q149 WeakPolarHBondContact CG1-O 3.44Å; E145-Q149 WeakPolarHBondContact O-CG 3.23Å; E145-Q149 PolarHBondContact O-NE2 3.49Å; D146-Q149 PolarHBondContact O-N 3.22Å; Q149-P151 VanDerWaalsContact C-CD 3.47Å; Q149-P151 WeakPolarHBondContact O-CD 3.35Å
150I96.8Very high96.8Very high0 Ų040.6 Ų40.60%023%0.225CC..  trans-123.569.7174.6-41.6177.2000109V97 K101 F108 S152 R153 I156 Q158V97-I150 HydrophobicContact CB-CG1 4.25Å; V97-I150 HydrophobicContact CG1-CG1 3.98Å; V97-I150 HydrophobicContact CG2-CD1 4.18Å; V97-I150 HydrophobicContact CG2-CG1 3.83Å; K101-I150 HydrophobicContact CG-CG2 4.17Å; F108-I150 HydrophobicContact CB-CD1 3.99Å; F108-I150 HydrophobicContact CD1-CD1 3.98Å; F108-I150 HydrophobicContact CD2-CD1 4.08Å; F108-I150 HydrophobicContact CE1-CD1 4.5Å; F108-I150 HydrophobicContact CG-CD1 3.74Å; I150-S152 PolarHBondContact O-N 2.94Å; I150-S152 VanDerWaalsContact O-N 3.08Å; I150-R153 HydrophobicContact CB-CB 4.43Å; I150-R153 HydrophobicContact CG2-CB 3.79Å; I150-R153 HydrophobicContact CG2-CG 3.74Å; I150-R153 PolarHBondContact O-N 2.82Å; I150-I156 HydrophobicContact CD1-CD1 4.02Å; I150-Q158 PolarHBondContact O-NE2 3.05Å
151P94.8Very high96.9Very high118 Ų11840.4 Ų40.477%0.76622%0.224SC*.THydrogen-bonded Turntrans-61.6-22.6-173.824.5-34.8000113.6Q149 R153Q149-P151 VanDerWaalsContact C-CD 3.47Å; Q149-P151 WeakPolarHBondContact O-CD 3.35Å; P151-R153 PolarHBondContact O-N 3.03Å
152S95.8Very high97Very high72 Ų7240.7 Ų40.750%0.50323%0.225SC..THydrogen-bonded Turntrans-73.9-7175.961.80000114.3I150 P154I150-S152 PolarHBondContact O-N 2.94Å; I150-S152 VanDerWaalsContact O-N 3.08Å; S152-P154 VanDerWaalsContact C-CD 3.46Å
153R95.9Very high97.1Very high30 Ų3040.6 Ų40.611%0.11323%0.225CC..  trans-126.865.2-176.2-65.7-63.8-59.7-814.1111.9S100 K101 A103 I105 I150 P151 D155 I156 Q158S100-R153 PolarHBondContact O-NH1 2.76Å; K101-R153 WeakPolarHBondContact O-CD 3.39Å; A103-R153 PolarHBondContact O-NH1 3.07Å; I105-R153 PolarHBondContact O-NH2 2.95Å; I150-R153 HydrophobicContact CB-CB 4.43Å; I150-R153 HydrophobicContact CG2-CB 3.79Å; I150-R153 HydrophobicContact CG2-CG 3.74Å; I150-R153 PolarHBondContact O-N 2.82Å; P151-R153 PolarHBondContact O-N 3.03Å; R153-D155 VanDerWaalsContact C-OD1 3.28Å; R153-D155 WeakPolarHBondContact CA-OD1 3.45Å; R153-D155 WeakPolarHBondContact CD-OD1 3.42Å; R153-D155 IonicContact CZ-OD1 3.03Å; R153-D155 IonicContact CZ-OD2 3.81Å; R153-D155 IonicContact NE-OD1 3.68Å; R153-D155 PolarHBondContact NE-OD1 2.83Å; R153-D155 IonicContact NE-OD2 2.77Å; R153-D155 PolarHBondContact NE-OD2 2.72Å; R153-D155 IonicContact NH2-OD1 3.21Å; R153-D155 IonicContact NH2-OD2 3.36Å; R153-D155 PolarHBondContact NH2-OD2 3.27Å; R153-D155 PolarHBondContact O-N 3.1Å; R153-I156 HydrophobicContact CB-CD1 3.9Å; R153-I156 HydrophobicContact CB-CG1 3.91Å; R153-I156 HydrophobicContact CB-CG2 4.48Å; R153-I156 WeakPolarHBondContact O-CG1 3.5Å; R153-I156 PolarHBondContact O-N 2.96Å; R153-Q158 PolarHBondContact O-NE2 2.62Å
154P94.6Very high97.1Very high119 Ų11937.2 Ų37.277%0.77321%0.212SC*.THydrogen-bonded Turntrans-67.6-13.117431-36.1000112.8S152 I156S152-P154 VanDerWaalsContact C-CD 3.46Å; P154-I156 VanDerWaalsContact C-N 3.35Å
155D94.9Very high97Very high107 Ų10739.3 Ų39.357%0.57223%0.226SC*.THydrogen-bonded Turntrans-74.6-19.7178.561.5-60.7000113.9R153R153-D155 VanDerWaalsContact C-OD1 3.28Å; R153-D155 WeakPolarHBondContact CA-OD1 3.45Å; R153-D155 WeakPolarHBondContact CD-OD1 3.42Å; R153-D155 IonicContact CZ-OD1 3.03Å; R153-D155 IonicContact CZ-OD2 3.81Å; R153-D155 IonicContact NE-OD1 3.68Å; R153-D155 PolarHBondContact NE-OD1 2.83Å; R153-D155 IonicContact NE-OD2 2.77Å; R153-D155 PolarHBondContact NE-OD2 2.72Å; R153-D155 IonicContact NH2-OD1 3.21Å; R153-D155 IonicContact NH2-OD2 3.36Å; R153-D155 PolarHBondContact NH2-OD2 3.27Å; R153-D155 PolarHBondContact O-N 3.1Å
156I96.3Very high96.9Very high5 Ų539.9 Ų39.93%0.02623%0.23CC..SBendtrans-101150.4179.873.5178.8000111.1I105 K106 F108 I150 R153 P154 Q158I105-I156 HydrophobicContact CD1-CD1 3.77Å; I105-I156 HydrophobicContact CG1-CD1 4.19Å; I105-I156 HydrophobicContact CG1-CG2 4.47Å; I105-I156 WeakPolarHBondContact O-CG2 3.41Å; K106-I156 WeakPolarHBondContact O-CA 3.43Å; K106-I156 WeakPolarHBondContact O-CB 3.16Å; F108-I156 HydrophobicContact CB-CD1 4.16Å; I150-I156 HydrophobicContact CD1-CD1 4.02Å; R153-I156 HydrophobicContact CB-CD1 3.9Å; R153-I156 HydrophobicContact CB-CG1 3.91Å; R153-I156 HydrophobicContact CB-CG2 4.48Å; R153-I156 WeakPolarHBondContact O-CG1 3.5Å; R153-I156 PolarHBondContact O-N 2.96Å; P154-I156 VanDerWaalsContact C-N 3.35Å; I156-Q158 HydrophobicContact CD1-CG 4.2Å; I156-Q158 HydrophobicContact CG1-CG 3.77Å; I156-Q158 PolarHBondContact O-N 3.27Å
157R97.6Very high96.9Very high32 Ų3234.3 Ų34.312%0.12120%0.201CC..EExtended strand (participates in β ladder)trans-70.3124.8169.3-176.8177.7-60.2158.413.2109.8K106 A107 F108 I159 V211 D213 R216K106-R157 PolarHBondContact O-N 2.88Å; A107-R157 CarbonylContact C-O 3.5Å; A107-R157 VanDerWaalsContact CA-O 3.25Å; A107-R157 WeakPolarHBondContact CA-O 3.36Å; A107-R157 HydrophobicContact CB-CB 3.99Å; F108-R157 PolarHBondContact N-O 3.47Å; R157-I159 HydrophobicContact CG-CD1 4.14Å; R157-I159 HydrophobicContact CG-CG1 3.89Å; R157-V211 WeakPolarHBondContact CD-O 3.36Å; R157-V211 PolarHBondContact NH1-O 2.89Å; R157-D213 PolarHBondContact NH1-O 3.23Å; R157-R216 PolarHBondContact NH2-O 2.81Å
158Q98.2Very high96.7Very high20 Ų2034.1 Ų34.19%0.09320%0.199CC..EExtended strand (participates in β ladder)trans-120119.5178.6-60-177.248.400108.9F108 I150 R153 I156 S220 G221F108-Q158 CarbonylContact O-C 3.47Å; F108-Q158 WeakPolarHBondContact O-CA 3.16Å; I150-Q158 PolarHBondContact O-NE2 3.05Å; R153-Q158 PolarHBondContact O-NE2 2.62Å; I156-Q158 HydrophobicContact CD1-CG 4.2Å; I156-Q158 HydrophobicContact CG1-CG 3.77Å; I156-Q158 PolarHBondContact O-N 3.27Å; Q158-S220 PolarHBondContact N-OG 2.93Å; Q158-S220 CarbonylContact O-C 3.12Å; Q158-S220 VanDerWaalsContact O-CA 3.26Å; Q158-S220 WeakPolarHBondContact O-CA 3.31Å; Q158-S220 VanDerWaalsContact O-CB 3.27Å; Q158-S220 WeakPolarHBondContact O-CB 3.47Å; Q158-G221 PolarHBondContact O-N 3.01Å
159I98.5Very high96.4Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-126.8133-175.1-59.9-67.5000110.8F108 I109 N110 R157 L161 V211 F218 P219 G221 V223F108-I159 PolarHBondContact O-N 3.01Å; I109-I159 HydrophobicContact CG1-CB 4.2Å; I109-I159 HydrophobicContact CG1-CG1 4.44Å; I109-I159 HydrophobicContact CG2-CB 4.26Å; I109-I159 HydrophobicContact CG2-CG2 4.35Å; N110-I159 PolarHBondContact N-O 3.1Å; R157-I159 HydrophobicContact CG-CD1 4.14Å; R157-I159 HydrophobicContact CG-CG1 3.89Å; I159-L161 HydrophobicContact CG2-CD2 3.69Å; I159-L161 HydrophobicContact CG2-CG 4.23Å; I159-V211 HydrophobicContact CG1-CB 4.42Å; I159-V211 HydrophobicContact CG2-CG2 4.3Å; I159-F218 HydrophobicContact CD1-CD1 4.02Å; I159-F218 HydrophobicContact CD1-CE1 4.05Å; I159-P219 WeakPolarHBondContact CD1-O 3.2Å; I159-G221 WeakPolarHBondContact CA-O 3.49Å; I159-V223 HydrophobicContact CD1-CG2 4.09Å; I159-V223 HydrophobicContact CG2-CB 4.2Å; I159-V223 HydrophobicContact CG2-CG2 3.72Å
160Q98.4Very high96Very high6 Ų639.9 Ų39.93%0.02823%0.226CC..EExtended strand (participates in β ladder)trans-107111.5169.1-60.877.822.400109.7N110 E145 R162 G221 P222 V223N110-Q160 WeakPolarHBondContact O-CA 3.46Å; E145-Q160 HydrophobicContact CG-CB 4.27Å; E145-Q160 HydrophobicContact CG-CG 4.17Å; Q160-R162 PolarHBondContact O-N 3.08Å; Q160-G221 PolarHBondContact N-O 3.46Å; Q160-G221 VanDerWaalsContact OE1-CA 3.31Å; Q160-G221 PolarHBondContact OE1-O 3.02Å; Q160-P222 WeakPolarHBondContact O-CA 3.47Å; Q160-V223 PolarHBondContact O-N 3.44Å
161L98.7Very high95.5Very high0 Ų040.1 Ų40.10%023%0.228CC..EExtended strand (participates in β ladder)trans-84.386.2-175.3-58.7171.3000111L60 I109 N110 S112 I159 T163 M204 I208 V211L60-L161 HydrophobicContact CD2-CD1 4.33Å; I109-L161 HydrophobicContact CG2-CD1 3.48Å; I109-L161 VanDerWaalsContact CG2-CD1 3.48Å; I109-L161 HydrophobicContact CG2-CD2 4Å; I109-L161 HydrophobicContact CG2-CG 3.69Å; N110-L161 PolarHBondContact O-N 2.89Å; S112-L161 CarbonylContact C-O 3.6Å; S112-L161 VanDerWaalsContact CA-O 3.31Å; S112-L161 WeakPolarHBondContact CA-O 3.34Å; S112-L161 PolarHBondContact N-O 3.22Å; I159-L161 HydrophobicContact CG2-CD2 3.69Å; I159-L161 HydrophobicContact CG2-CG 4.23Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 2.85Å; L161-T163 PolarHBondContact O-OG1 3.44Å; L161-M204 HydrophobicContact CB-CE 4.35Å; L161-M204 HydrophobicContact CD1-CE 4.04Å; L161-I208 HydrophobicContact CD1-CD1 4.18Å; L161-I208 HydrophobicContact CD1-CG1 3.8Å; L161-V211 HydrophobicContact CD2-CG2 4.26Å
162R98.4Very high94.9Very high9 Ų939.6 Ų39.63%0.03422%0.215CC..EExtended strand (participates in β ladder)trans-70.186.6177.1-69.5180-177.21683.1110.2Y117 E145 Q160 V223 C225Y117-R162 VanDerWaalsContact OH-CD 3.25Å; Y117-R162 WeakPolarHBondContact OH-CD 3.27Å; Y117-R162 PolarHBondContact OH-NH1 3Å; E145-R162 VanDerWaalsContact OE1-CG 3.24Å; E145-R162 WeakPolarHBondContact OE1-CG 3.21Å; E145-R162 IonicContact OE1-CZ 2.76Å; E145-R162 IonicContact OE1-NE 2.92Å; E145-R162 PolarHBondContact OE1-NE 2.97Å; E145-R162 IonicContact OE1-NH2 3.76Å; E145-R162 IonicContact OE2-CZ 3.17Å; E145-R162 IonicContact OE2-NE 3.94Å; E145-R162 PolarHBondContact OE2-NE 3.08Å; E145-R162 IonicContact OE2-NH2 2.66Å; E145-R162 PolarHBondContact OE2-NH2 2.75Å; Q160-R162 PolarHBondContact O-N 3.08Å; R162-V223 PolarHBondContact N-O 2.8Å; R162-C225 PolarHBondContact O-N 3.05Å
163T98.2Very high94.4Very high16 Ų1639.6 Ų39.610%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-85.1133.9-169-53.10000111.6S112 V114 L161 V166 I199 M204S112-T163 PolarHBondContact O-N 3.23Å; V114-T163 PolarHBondContact N-O 3.05Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 2.85Å; L161-T163 PolarHBondContact O-OG1 3.44Å; T163-V166 HydrophobicContact CG2-CG2 3.52Å; T163-I199 HydrophobicContact CG2-CG2 4.35Å; T163-M204 HydrophobicContact CG2-CE 4.15Å; T163-M204 HydrophobicContact CG2-SD 3.67Å; T163-M204 WeakPolarHBondContact OG1-CE 3.29Å
164G97.2Very high93.8Very high10 Ų1038.2 Ų38.210%0.10320%0.201CC..  trans-76.9-166.1169.400000112.8V166 S197 C225G164-V166 PolarHBondContact O-N 2.57Å; G164-V166 VanDerWaalsContact O-N 3.17Å; G164-S197 CarbonylContact C-O 3.53Å; G164-S197 VanDerWaalsContact CA-O 3.26Å; G164-S197 WeakPolarHBondContact CA-O 3.27Å; G164-C225 PolarHBondContact N-O 3.21Å; G164-C225 VanDerWaalsContact N-O 3.13Å
165V95Very high93.4Very high59 Ų5939.2 Ų39.236%0.35819%0.189SC..EExtended strand (participates in β ladder)trans-70.4113.3172.9-176.30000109.7L167 M196 S197 W198 I199V165-L167 HydrophobicContact CG1-CD2 4.16Å; V165-L167 PolarHBondContact O-N 3.06Å; V165-M196 HydrophobicContact CB-CE 3.6Å; V165-M196 HydrophobicContact CG1-CE 3.53Å; V165-M196 HydrophobicContact CG2-CE 3.9Å; V165-M196 HydrophobicContact CG2-CG 4.47Å; V165-S197 PolarHBondContact N-O 3.23Å; V165-W198 CarbonylContact O-C 3.09Å; V165-W198 VanDerWaalsContact O-CA 3.26Å; V165-W198 WeakPolarHBondContact O-CA 3.45Å; V165-I199 PolarHBondContact O-N 3.46Å
166V96.3Very high92.8Very high22 Ų2237.3 Ų37.313%0.13318%0.182CC..EExtended strand (participates in β ladder)trans-77.7114.9179.8-175.80000110.5L11 I12 T163 G164 I199 L201L11-V166 HydrophobicContact CD2-CG1 4.35Å; I12-V166 HydrophobicContact CD1-CG2 3.99Å; I12-V166 HydrophobicContact CG1-CG2 4.41Å; T163-V166 HydrophobicContact CG2-CG2 3.52Å; G164-V166 PolarHBondContact O-N 2.57Å; G164-V166 VanDerWaalsContact O-N 3.17Å; V166-I199 CarbonylContact C-O 3.59Å; V166-I199 WeakPolarHBondContact CA-O 3.42Å; V166-I199 HydrophobicContact CB-CG2 4.42Å; V166-I199 HydrophobicContact CG2-CG2 3.86Å; V166-L201 HydrophobicContact CG1-CB 4.01Å; V166-L201 HydrophobicContact CG1-CD1 3.96Å
167L96.2Very high92.2Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-91.1126.2177-54.2-175.5000110.2V165 F173 M196 W198 I199 L201 F236 I296 I303V165-L167 HydrophobicContact CG1-CD2 4.16Å; V165-L167 PolarHBondContact O-N 3.06Å; L167-F173 HydrophobicContact CD2-CD1 4.48Å; L167-F173 HydrophobicContact CD2-CE1 4.43Å; L167-M196 HydrophobicContact CD2-CE 4.18Å; L167-W198 HydrophobicContact CD1-CB 4.14Å; L167-W198 HydrophobicContact CD1-CD2 3.96Å; L167-W198 HydrophobicContact CD1-CE3 3.49Å; L167-W198 VanDerWaalsContact CD1-CE3 3.49Å; L167-W198 HydrophobicContact CD1-CG 4.25Å; L167-W198 HydrophobicContact CD1-CZ3 4.23Å; L167-W198 HydrophobicContact CG-CB 4.27Å; L167-W198 HydrophobicContact CG-CE3 4.2Å; L167-I199 PolarHBondContact N-O 3.46Å; L167-L201 PolarHBondContact O-N 2.91Å; L167-F236 HydrophobicContact CD1-CE2 3.87Å; L167-F236 HydrophobicContact CD2-CE2 4.03Å; L167-F236 HydrophobicContact CD2-CZ 3.91Å; L167-I296 HydrophobicContact CD1-CD1 3.62Å; L167-I303 HydrophobicContact CB-CD1 3.71Å
168S94.3Very high91.6Very high8 Ų840.6 Ų40.66%0.05620%0.196CC..  trans-159.8148.4174.9168.80000110D170 S171 I174 L201S168-D170 PolarHBondContact O-N 3.47Å; S168-D170 VanDerWaalsContact O-N 3.09Å; S168-D170 PolarHBondContact OG-N 3.17Å; S168-D170 VanDerWaalsContact OG-N 3.1Å; S168-S171 WeakPolarHBondContact O-CB 3.34Å; S168-S171 PolarHBondContact O-N 3.32Å; S168-S171 PolarHBondContact O-OG 3.12Å; S168-I174 VanDerWaalsContact O-CB 3.31Å; S168-I174 WeakPolarHBondContact O-CB 3.45Å; S168-I174 VanDerWaalsContact O-CG1 3.28Å; S168-I174 WeakPolarHBondContact O-CG1 3.25Å; S168-L201 WeakPolarHBondContact OG-CD2 3.31Å
169K91.6Very high90.9Very high117 Ų11746.4 Ų46.451%0.50922%0.223SC..THydrogen-bonded Turntrans-51.5-29.7169.769.4178.4-175.7-179.90113.2I303K169-I303 HydrophobicContact CB-CG2 4.28Å
170D88Confident90.1Very high87 Ų8749 Ų4947%0.46524%0.239SC..THydrogen-bonded Turntrans-98.8-0.4-176.3-60.5-47.5000113L11 S168L11-D170 HydrophobicContact CD1-CB 3.99Å; S168-D170 PolarHBondContact O-N 3.47Å; S168-D170 VanDerWaalsContact O-N 3.09Å; S168-D170 PolarHBondContact OG-N 3.17Å; S168-D170 VanDerWaalsContact OG-N 3.1Å
171S86.3Confident89.2Confident5 Ų551.2 Ų51.24%0.03525%0.248CC..SBendtrans-68144.5175.970.50000110.9S168 F173 I174 R175S168-S171 WeakPolarHBondContact O-CB 3.34Å; S168-S171 PolarHBondContact O-N 3.32Å; S168-S171 PolarHBondContact O-OG 3.12Å; S171-F173 PolarHBondContact O-N 2.76Å; S171-I174 PolarHBondContact O-N 2.85Å; S171-I174 VanDerWaalsContact OG-CB 3.29Å; S171-I174 WeakPolarHBondContact OG-CB 3.3Å; S171-I174 WeakPolarHBondContact OG-CG1 3.35Å; S171-I174 PolarHBondContact OG-N 2.95Å; S171-R175 WeakPolarHBondContact O-CG 3.49Å; S171-R175 PolarHBondContact O-N 3.36Å
172H83.2Confident88.3Confident107 Ų10754.8 Ų54.850%0.49527%0.271SS..Hα-helixtrans-58.4-40.5177.1-177.869.3000111.3R175 T176H172-R175 PolarHBondContact O-N 3.18Å; H172-T176 PolarHBondContact O-N 2.94Å; H172-T176 PolarHBondContact O-OG1 2.97Å
173F83.6Confident87.3Confident73 Ų7359.4 Ų59.432%0.3230%0.296SS..Hα-helixtrans-56.8-54.2177170.2-109.7000112.5L167 S171 R175 T176 V177 F236 M240L167-F173 HydrophobicContact CD2-CD1 4.48Å; L167-F173 HydrophobicContact CD2-CE1 4.43Å; S171-F173 PolarHBondContact O-N 2.76Å; F173-R175 VanDerWaalsContact C-N 3.33Å; F173-R175 PolarHBondContact O-N 2.88Å; F173-T176 PolarHBondContact O-N 3.35Å; F173-V177 HydrophobicContact CD2-CG2 4.39Å; F173-V177 HydrophobicContact CE2-CG2 3.85Å; F173-V177 HydrophobicContact CZ-CG2 3.94Å; F173-V177 WeakPolarHBondContact O-CG2 3.17Å; F173-V177 PolarHBondContact O-N 2.98Å; F173-F236 AromaticContact CE1-CE1 3.85Å; F173-F236 HydrophobicContact CE1-CE1 3.85Å; F173-F236 AromaticContact CE1-CZ 3.68Å; F173-F236 HydrophobicContact CE1-CZ 3.68Å; F173-F236 AromaticContact CZ-CE1 3.68Å; F173-F236 HydrophobicContact CZ-CE1 3.68Å; F173-F236 HydrophobicContact CZ-CZ 4.03Å; F173-M240 HydrophobicContact CE1-CE 3.63Å; F173-M240 HydrophobicContact CZ-CE 3.73Å; F173-M240 HydrophobicContact CZ-SD 4.23Å
174I84.9Confident86Confident0 Ų058.7 Ų58.70%029%0.292CS..Hα-helixtrans-64.8-36.9179.7-65-66.4000111.6S168 S171 V177 R178 M240 I303 F304S168-I174 VanDerWaalsContact O-CB 3.31Å; S168-I174 WeakPolarHBondContact O-CB 3.45Å; S168-I174 VanDerWaalsContact O-CG1 3.28Å; S168-I174 WeakPolarHBondContact O-CG1 3.25Å; S171-I174 PolarHBondContact O-N 2.85Å; S171-I174 VanDerWaalsContact OG-CB 3.29Å; S171-I174 WeakPolarHBondContact OG-CB 3.3Å; S171-I174 WeakPolarHBondContact OG-CG1 3.35Å; S171-I174 PolarHBondContact OG-N 2.95Å; I174-V177 PolarHBondContact O-N 3.44Å; I174-R178 WeakPolarHBondContact O-CB 3.32Å; I174-R178 WeakPolarHBondContact O-CG 3.26Å; I174-R178 PolarHBondContact O-N 3.17Å; I174-M240 HydrophobicContact CD1-CE 4.06Å; I174-I303 HydrophobicContact CG2-CG2 3.97Å; I174-F304 HydrophobicContact CD1-CE2 4.25Å; I174-F304 HydrophobicContact CD1-CZ 3.8Å; I174-F304 HydrophobicContact CG2-CE1 3.66Å; I174-F304 HydrophobicContact CG2-CZ 3.64Å
175R85Confident84.8Confident140 Ų14063 Ų6353%0.52831%0.308SS..Hα-helixtrans-62.3-44.2174.7-72.9179.662.4-170.4-1.2112.1S171 H172 F173 R178 H179S171-R175 WeakPolarHBondContact O-CG 3.49Å; S171-R175 PolarHBondContact O-N 3.36Å; H172-R175 PolarHBondContact O-N 3.18Å; F173-R175 VanDerWaalsContact C-N 3.33Å; F173-R175 PolarHBondContact O-N 2.88Å; R175-R178 WeakPolarHBondContact O-CB 3.47Å; R175-R178 PolarHBondContact O-N 3.36Å; R175-H179 PolarHBondContact O-CD2 3.34Å; R175-H179 PolarHBondContact O-N 3.39Å
176T83.7Confident84.1Confident67 Ų6760.8 Ų60.841%0.41130%0.295SS..Hα-helixtrans-61.9-45.5177.3-61.40000111H172 F173 R178 H179 V180H172-T176 PolarHBondContact O-N 2.94Å; H172-T176 PolarHBondContact O-OG1 2.97Å; F173-T176 PolarHBondContact O-N 3.35Å; T176-R178 VanDerWaalsContact C-N 3.33Å; T176-R178 PolarHBondContact O-N 3.01Å; T176-H179 PolarHBondContact O-N 3.44Å; T176-H179 VanDerWaalsContact O-N 3.11Å; T176-V180 PolarHBondContact O-N 2.74Å
177V84Confident83.6Confident18 Ų1860.2 Ų60.211%0.10929%0.291CS..Hα-helixtrans-60.6-42.6176179.10000111.3F173 I174 H179 V180 F181 M240 L244F173-V177 HydrophobicContact CD2-CG2 4.39Å; F173-V177 HydrophobicContact CE2-CG2 3.85Å; F173-V177 HydrophobicContact CZ-CG2 3.94Å; F173-V177 WeakPolarHBondContact O-CG2 3.17Å; F173-V177 PolarHBondContact O-N 2.98Å; I174-V177 PolarHBondContact O-N 3.44Å; V177-H179 PolarHBondContact O-N 3.05Å; V177-H179 VanDerWaalsContact O-N 3.08Å; V177-V180 WeakPolarHBondContact O-CG2 3.26Å; V177-V180 PolarHBondContact O-N 2.92Å; V177-F181 PolarHBondContact O-N 3.36Å; V177-M240 HydrophobicContact CB-SD 4.19Å; V177-M240 HydrophobicContact CG1-CG 4.36Å; V177-M240 HydrophobicContact CG1-SD 3.65Å; V177-M240 HydrophobicContact CG2-SD 3.92Å; V177-L244 HydrophobicContact CG1-CD1 3.56Å
178R83.4Confident83.3Confident89 Ų8961 Ų6134%0.33630%0.296SS..Hα-helixtrans-58.7-21.3176.8-79.7-179.5176.6172.51.8114.3I174 R175 T176 F181 L244 I303 F304I174-R178 WeakPolarHBondContact O-CB 3.32Å; I174-R178 WeakPolarHBondContact O-CG 3.26Å; I174-R178 PolarHBondContact O-N 3.17Å; R175-R178 WeakPolarHBondContact O-CB 3.47Å; R175-R178 PolarHBondContact O-N 3.36Å; T176-R178 VanDerWaalsContact C-N 3.33Å; T176-R178 PolarHBondContact O-N 3.01Å; R178-F181 WeakPolarHBondContact O-CD1 3.35Å; R178-F181 WeakPolarHBondContact O-CE1 3.41Å; R178-L244 HydrophobicContact CG-CD2 4.12Å; R178-I303 PolarHBondContact NH2-O 3.21Å; R178-F304 HydrophobicContact CG-CE1 4.09Å
179H83.1Confident83.1Confident142 Ų14261.7 Ų61.766%0.65730%0.299SS*.Hα-helixtrans-85.5-29175.5-69.1-57.8000113.1R175 T176 V177R175-H179 PolarHBondContact O-CD2 3.34Å; R175-H179 PolarHBondContact O-N 3.39Å; T176-H179 PolarHBondContact O-N 3.44Å; T176-H179 VanDerWaalsContact O-N 3.11Å; V177-H179 PolarHBondContact O-N 3.05Å; V177-H179 VanDerWaalsContact O-N 3.08Å
180V82.1Confident83.1Confident55 Ų5556.8 Ų56.833%0.33328%0.282SS..Hα-helixtrans-101.4-17.6-175.6-59.30000113.6T176 V177 P182 L183T176-V180 PolarHBondContact O-N 2.74Å; V177-V180 WeakPolarHBondContact O-CG2 3.26Å; V177-V180 PolarHBondContact O-N 2.92Å; V180-P182 VanDerWaalsContact C-N 3.34Å; V180-L183 WeakPolarHBondContact O-CB 3.26Å; V180-L183 PolarHBondContact O-N 3.13Å
181F80.7Confident83.3Confident52 Ų5257.3 Ų57.323%0.22829%0.288CS..G310 helixtrans-57.6-33.5-179.494.4-87.5000115.1V177 R178 L183 G184 C186 L244 A246 P247V177-F181 PolarHBondContact O-N 3.36Å; R178-F181 WeakPolarHBondContact O-CD1 3.35Å; R178-F181 WeakPolarHBondContact O-CE1 3.41Å; F181-L183 PolarHBondContact O-N 2.74Å; F181-L183 VanDerWaalsContact O-N 3.13Å; F181-G184 WeakPolarHBondContact O-CA 3.38Å; F181-G184 PolarHBondContact O-N 2.86Å; F181-C186 VanDerWaalsContact CB-SG 3.58Å; F181-L244 HydrophobicContact CB-CB 4.38Å; F181-L244 HydrophobicContact CB-CD1 3.84Å; F181-L244 HydrophobicContact CD1-CD2 4.19Å; F181-L244 HydrophobicContact CD2-CB 3.86Å; F181-L244 HydrophobicContact CE2-CB 4.42Å; F181-L244 WeakPolarHBondContact CE2-O 3.49Å; F181-L244 HydrophobicContact CG-CB 4.12Å; F181-L244 HydrophobicContact CG-CD1 4.23Å; F181-L244 HydrophobicContact CG-CD2 4.21Å; F181-L244 HydrophobicContact CG-CG 4.44Å; F181-A246 HydrophobicContact CD2-CB 4.32Å; F181-P247 WeakPolarHBondContact O-CD 3.37Å
182P79.2Confident83.6Confident74 Ų7457.1 Ų57.148%0.48129%0.287SS..G310 helixtrans-65.3-19.6179.3-20.335.5000112.4V180 P247V180-P182 VanDerWaalsContact C-N 3.34Å; P182-P247 WeakPolarHBondContact O-CG 3.37Å
183L77.4Confident84.1Confident106 Ų10660 Ų6056%0.55529%0.293SS*.G310 helixtrans-82.8-1.4174.7-52.7175.7000112.4V180 F181 F185 N249V180-L183 WeakPolarHBondContact O-CB 3.26Å; V180-L183 PolarHBondContact O-N 3.13Å; F181-L183 PolarHBondContact O-N 2.74Å; F181-L183 VanDerWaalsContact O-N 3.13Å; L183-F185 VanDerWaalsContact C-N 3.31Å; L183-F185 HydrophobicContact CB-CD2 3.46Å; L183-F185 VanDerWaalsContact CB-CD2 3.46Å; L183-F185 HydrophobicContact CB-CE2 3.68Å; L183-F185 HydrophobicContact CB-CG 4.42Å; L183-F185 HydrophobicContact CD1-CD2 4.04Å; L183-F185 HydrophobicContact CD1-CE2 4.07Å; L183-F185 HydrophobicContact CG-CD2 4.4Å; L183-N249 PolarHBondContact O-ND2 3.24Å; L183-N249 VanDerWaalsContact O-ND2 3.11Å
184G70.9Confident84.7Confident1 Ų156.9 Ų56.91%0.0128%0.28CS..THydrogen-bonded Turntrans77.810.7-177.100000114.4F181 C186 N187F181-G184 WeakPolarHBondContact O-CA 3.38Å; F181-G184 PolarHBondContact O-N 2.86Å; G184-C186 VanDerWaalsContact C-N 3.35Å; G184-C186 PolarHBondContact O-N 3.32Å; G184-C186 VanDerWaalsContact O-N 3.13Å; G184-N187 PolarHBondContact O-OD1 3.01Å
185F72.6Confident85.3Confident100 Ų10058.7 Ų58.744%0.43929%0.287SS..  trans-86.268.1179.5-64.2-55.9000112L183 N187L183-F185 VanDerWaalsContact C-N 3.31Å; L183-F185 HydrophobicContact CB-CD2 3.46Å; L183-F185 VanDerWaalsContact CB-CD2 3.46Å; L183-F185 HydrophobicContact CB-CE2 3.68Å; L183-F185 HydrophobicContact CB-CG 4.42Å; L183-F185 HydrophobicContact CD1-CD2 4.04Å; L183-F185 HydrophobicContact CD1-CE2 4.07Å; L183-F185 HydrophobicContact CG-CD2 4.4Å; F185-N187 WeakPolarHBondContact CA-OD1 3.15Å
186C79.6Confident85.9Confident13 Ų1353.1 Ų53.19%0.08827%0.267CS..  trans-120.147.2171.2-74.80000110.4F181 G184 A241 A246F181-C186 VanDerWaalsContact CB-SG 3.58Å; G184-C186 VanDerWaalsContact C-N 3.35Å; G184-C186 PolarHBondContact O-N 3.32Å; G184-C186 VanDerWaalsContact O-N 3.13Å; C186-A241 HydrophobicContact CB-CB 3.61Å; C186-A246 HydrophobicContact CB-CB 4.39Å
187N85.8Confident86.5Confident10 Ų1050.1 Ų50.15%0.05325%0.249CC..PPolyproline II helixtrans-96.4163.9-163.4-56.222.5000111.6G184 F185 F251 S252 A254 I256G184-N187 PolarHBondContact O-OD1 3.01Å; F185-N187 WeakPolarHBondContact CA-OD1 3.15Å; N187-F251 PolarHBondContact ND2-O 3.39Å; N187-S252 VanDerWaalsContact CG-O 3.27Å; N187-S252 PolarHBondContact OD1-O 2.78Å; N187-A254 VanDerWaalsContact CB-O 3.28Å; N187-A254 WeakPolarHBondContact CB-O 3.36Å; N187-A254 PolarHBondContact ND2-O 3.43Å; N187-I256 HydrophobicContact CB-CG1 4.05Å
188P89.8Confident87.2Confident18 Ų1849.3 Ų49.312%0.11724%0.244CC..PPolyproline II helixtrans-56.4144.7169.9-24.235.7000111.6V234 A237 P255 I256P188-V234 HydrophobicContact CB-CB 4.38Å; P188-V234 HydrophobicContact CB-CG2 4.42Å; P188-V234 HydrophobicContact CG-CB 4.31Å; P188-V234 HydrophobicContact CG-CG2 3.87Å; P188-A237 HydrophobicContact CG-CB 4.43Å; P188-P255 CarbonylContact O-C 3.43Å; P188-P255 WeakPolarHBondContact O-CA 3.47Å; P188-I256 PolarHBondContact O-N 2.6Å
189I91Very high87.9Confident21 Ų2145.1 Ų45.111%0.10823%0.228CC..BIsolated β-bridgetrans-101.9128.3-179.8-67.9166.3000109.2T191 G192 Q194 Q233 I256 F261 V273 L274I189-T191 PolarHBondContact O-N 3.49Å; I189-G192 PolarHBondContact O-N 3.43Å; I189-Q194 PolarHBondContact O-NE2 3.09Å; I189-Q194 PolarHBondContact O-OE1 2.72Å; I189-Q233 HydrophobicContact CB-CG 4.46Å; I189-Q233 VanDerWaalsContact CG1-NE2 3.29Å; I189-I256 HydrophobicContact CG1-CB 4.41Å; I189-I256 HydrophobicContact CG1-CD1 4.13Å; I189-F261 HydrophobicContact CB-CE2 4.12Å; I189-F261 HydrophobicContact CB-CZ 4.43Å; I189-F261 HydrophobicContact CD1-CE1 4.34Å; I189-F261 HydrophobicContact CD1-CE2 4.22Å; I189-F261 HydrophobicContact CD1-CZ 3.67Å; I189-F261 HydrophobicContact CG1-CE2 3.87Å; I189-F261 HydrophobicContact CG1-CZ 3.75Å; I189-F261 HydrophobicContact CG2-CD2 3.68Å; I189-F261 HydrophobicContact CG2-CE2 3.24Å; I189-F261 HydrophobicContact CG2-CZ 3.83Å; I189-V273 HydrophobicContact CD1-CG1 3.62Å; I189-V273 HydrophobicContact CG2-CG1 3.87Å; I189-L274 HydrophobicContact CG2-CD2 3.83Å
190G91.1Very high88.6Confident14 Ų1438.5 Ų38.514%0.14420%0.197CC..THydrogen-bonded Turntrans61.2-120.1-177.700000110.7P255 I256 S258G190-P255 WeakPolarHBondContact O-CB 3.39Å; G190-I256 PolarHBondContact N-O 3.1Å; G190-S258 WeakPolarHBondContact CA-OG 3.47Å
191T91.3Very high89.4Confident99 Ų9936.2 Ų36.261%0.60718%0.183SC*.THydrogen-bonded Turntrans-80.7-17.9175.268.90000113.3I189 R193I189-T191 PolarHBondContact O-N 3.49Å; T191-R193 PolarHBondContact O-N 2.75Å; T191-R193 PolarHBondContact OG1-N 3.01Å
192G92.5Very high90.2Very high0 Ų036.5 Ų36.50%019%0.187CC..SBendtrans70.3-3.3-171.800000115I189 Q194 Q233 V234I189-G192 PolarHBondContact O-N 3.43Å; G192-Q194 VanDerWaalsContact C-OE1 3.28Å; G192-Q233 PolarHBondContact O-N 3.46Å; G192-V234 WeakPolarHBondContact O-CG1 3.41Å; G192-V234 PolarHBondContact O-N 2.96Å
193R95.3Very high91.1Very high167 Ų16733 Ų3363%0.6316%0.164SC*.  trans-84.6-19.6-175.1-63.4-176.8-179.7-171.4-0.7113.3L121 T191L121-R193 HydrophobicContact CD2-CB 4.35Å; T191-R193 PolarHBondContact O-N 2.75Å; T191-R193 PolarHBondContact OG1-N 3.01Å
194Q96Very high92.1Very high8 Ų828 Ų284%0.03714%0.138CC..SBendtrans-59.2140.7-179.369.9-80.520.600110.9L121 I189 G192 Q233 V273L121-Q194 HydrophobicContact CD2-CB 4.48Å; I189-Q194 PolarHBondContact O-NE2 3.09Å; I189-Q194 PolarHBondContact O-OE1 2.72Å; G192-Q194 VanDerWaalsContact C-OE1 3.28Å; Q194-Q233 HydrophobicContact CG-CB 4.02Å; Q194-Q233 PolarHBondContact O-N 3.41Å; Q194-V273 PolarHBondContact NE2-O 3.44Å; Q194-V273 VanDerWaalsContact NE2-O 3.12Å
195W97.5Very high93.4Very high38 Ų3828.3 Ų28.314%0.14414%0.14CC..EExtended strand (participates in β ladder)trans-75.3133.5179.1-73105.3000111.1L121 P230 Q232 G276 Q277 R278L121-W195 PolarHBondContact O-NE1 3.08Å; W195-P230 HydrophobicContact CE3-CB 4.45Å; W195-Q232 HydrophobicContact CD2-CG 4.3Å; W195-Q232 HydrophobicContact CE3-CG 4.1Å; W195-Q232 HydrophobicContact CH2-CG 4.15Å; W195-Q232 HydrophobicContact CZ2-CG 4.34Å; W195-Q232 HydrophobicContact CZ3-CG 4.03Å; W195-G276 CarbonylContact O-C 3.48Å; W195-G276 WeakPolarHBondContact O-CA 3.12Å; W195-Q277 VanDerWaalsContact CB-C 3.47Å; W195-Q277 PolarHBondContact O-N 2.97Å; W195-R278 HydrophobicContact CB-CB 4.06Å; W195-R278 HydrophobicContact CD2-CB 3.8Å; W195-R278 HydrophobicContact CD2-CG 3.93Å; W195-R278 HydrophobicContact CE3-CB 4.35Å; W195-R278 HydrophobicContact CE3-CG 4.05Å; W195-R278 HydrophobicContact CG-CB 3.64Å; W195-R278 HydrophobicContact CG-CG 4.3Å; W195-R278 HydrophobicContact CZ3-CG 4.43Å
196M96.4Very high94.7Very high23 Ų2327.5 Ų27.511%0.11313%0.134CC..EExtended strand (participates in β ladder)trans-108.3104.4172.4-173.8171179.800109.1V165 L167 W198 V231 F236V165-M196 HydrophobicContact CB-CE 3.6Å; V165-M196 HydrophobicContact CG1-CE 3.53Å; V165-M196 HydrophobicContact CG2-CE 3.9Å; V165-M196 HydrophobicContact CG2-CG 4.47Å; L167-M196 HydrophobicContact CD2-CE 4.18Å; M196-W198 HydrophobicContact CE-CB 4.42Å; M196-W198 HydrophobicContact CG-CB 4.42Å; M196-V231 PolarHBondContact N-O 3.34Å; M196-V231 PolarHBondContact O-N 3.33Å; M196-F236 HydrophobicContact CE-CD1 4.15Å; M196-F236 HydrophobicContact CE-CD2 4.3Å; M196-F236 HydrophobicContact CE-CE1 3.59Å; M196-F236 HydrophobicContact CE-CE2 3.8Å; M196-F236 HydrophobicContact CE-CG 4.43Å; M196-F236 HydrophobicContact CE-CZ 3.37Å; M196-F236 HydrophobicContact SD-CB 4.14Å; M196-F236 HydrophobicContact SD-CD1 3.4Å; M196-F236 WeakPolarHBondContact SD-CD1 3.37Å; M196-F236 HydrophobicContact SD-CD2 3.8Å; M196-F236 HydrophobicContact SD-CE1 3.49Å; M196-F236 WeakPolarHBondContact SD-CE1 3.32Å; M196-F236 HydrophobicContact SD-CE2 3.92Å; M196-F236 HydrophobicContact SD-CG 3.51Å; M196-F236 VanDerWaalsContact SD-CG 3.51Å; M196-F236 HydrophobicContact SD-CZ 3.74Å
197S97.8Very high95.6Very high5 Ų526.9 Ų26.94%0.03513%0.13CC..  trans-83.9112.1166.2-68.20000109G164 V165 Q277 V279G164-S197 CarbonylContact C-O 3.53Å; G164-S197 VanDerWaalsContact CA-O 3.26Å; G164-S197 WeakPolarHBondContact CA-O 3.27Å; V165-S197 PolarHBondContact N-O 3.23Å; S197-Q277 PolarHBondContact OG-O 2.94Å; S197-V279 WeakPolarHBondContact OG-CB 3.23Å; S197-V279 PolarHBondContact OG-N 2.79Å
198W97.3Very high96.2Very high0 Ų026.4 Ų26.40%013%0.127CC..EExtended strand (participates in β ladder)trans-122.5164.4-171.163.1-84.9000110.5V165 L167 M196 T226 S227 K229 Y293 D295 I296 A299V165-W198 CarbonylContact O-C 3.09Å; V165-W198 VanDerWaalsContact O-CA 3.26Å; V165-W198 WeakPolarHBondContact O-CA 3.45Å; L167-W198 HydrophobicContact CD1-CB 4.14Å; L167-W198 HydrophobicContact CD1-CD2 3.96Å; L167-W198 HydrophobicContact CD1-CE3 3.49Å; L167-W198 VanDerWaalsContact CD1-CE3 3.49Å; L167-W198 HydrophobicContact CD1-CG 4.25Å; L167-W198 HydrophobicContact CD1-CZ3 4.23Å; L167-W198 HydrophobicContact CG-CB 4.27Å; L167-W198 HydrophobicContact CG-CE3 4.2Å; M196-W198 HydrophobicContact CE-CB 4.42Å; M196-W198 HydrophobicContact CG-CB 4.42Å; W198-T226 CarbonylContact O-C 3.58Å; W198-T226 WeakPolarHBondContact O-CA 3.27Å; W198-S227 WeakPolarHBondContact CZ2-OG 3.37Å; W198-S227 WeakPolarHBondContact O-CB 3.44Å; W198-S227 PolarHBondContact O-N 3.31Å; W198-K229 PolarHBondContact NE1-O 2.9Å; W198-K229 VanDerWaalsContact NE1-O 3.08Å; W198-Y293 WeakPolarHBondContact CH2-O 3.44Å; W198-D295 VanDerWaalsContact CH2-C 3.46Å; W198-D295 WeakPolarHBondContact CH2-O 3.41Å; W198-I296 HydrophobicContact CD2-CD1 3.9Å; W198-I296 HydrophobicContact CE3-CD1 4.19Å; W198-I296 HydrophobicContact CG-CD1 4.4Å; W198-I296 HydrophobicContact CH2-CB 4.43Å; W198-I296 HydrophobicContact CH2-CD1 4.37Å; W198-I296 VanDerWaalsContact CZ2-CA 3.43Å; W198-I296 HydrophobicContact CZ2-CB 3.79Å; W198-I296 HydrophobicContact CZ2-CD1 4.1Å; W198-I296 VanDerWaalsContact CZ2-N 3.26Å; W198-I296 HydrophobicContact CZ3-CD1 4.41Å; W198-A299 HydrophobicContact CE3-CB 4.36Å; W198-A299 HydrophobicContact CH2-CB 3.75Å; W198-A299 HydrophobicContact CZ3-CB 3.41Å; W198-A299 VanDerWaalsContact CZ3-CB 3.41Å
199I98.4Very high96.6Very high1 Ų127.7 Ų27.71%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-148.4140.7172.2-173.1162.9000110.2T163 V165 V166 L167 D203 M204 I207 C225T163-I199 HydrophobicContact CG2-CG2 4.35Å; V165-I199 PolarHBondContact O-N 3.46Å; V166-I199 CarbonylContact C-O 3.59Å; V166-I199 WeakPolarHBondContact CA-O 3.42Å; V166-I199 HydrophobicContact CB-CG2 4.42Å; V166-I199 HydrophobicContact CG2-CG2 3.86Å; L167-I199 PolarHBondContact N-O 3.46Å; I199-D203 HydrophobicContact CD1-CB 4.29Å; I199-D203 HydrophobicContact CG1-CB 4.06Å; I199-M204 HydrophobicContact CD1-CB 4.16Å; I199-M204 HydrophobicContact CD1-SD 4.3Å; I199-M204 HydrophobicContact CG1-CB 4.37Å; I199-M204 HydrophobicContact CG2-CB 4.36Å; I199-M204 HydrophobicContact CG2-SD 4.48Å; I199-I207 HydrophobicContact CD1-CD1 3.3Å; I199-C225 HydrophobicContact CD1-CB 4.13Å; I199-C225 WeakPolarHBondContact CG2-O 3.44Å
200H98.2Very high97Very high4 Ų428.4 Ų28.42%0.01913%0.133CC..EExtended strand (participates in β ladder)trans-73141.4171.4-169.7-86.9000110.7D202 D203 M204 Y293 A299 N302H200-D202 VanDerWaalsContact C-N 3.3Å; H200-D202 IonicContact CE1-OD1 2.8Å; H200-D202 IonicContact CE1-OD2 2.69Å; H200-D202 WeakPolarHBondContact ND1-CB 3.44Å; H200-D202 PolarHBondContact ND1-N 2.91Å; H200-D202 VanDerWaalsContact ND1-N 3.15Å; H200-D202 IonicContact ND1-OD1 3.89Å; H200-D202 PolarHBondContact O-N 3.49Å; H200-D203 PolarHBondContact O-N 2.77Å; H200-M204 PolarHBondContact O-N 3.47Å; H200-Y293 HydrophobicContact CB-CD2 3.65Å; H200-Y293 HydrophobicContact CB-CG 4.04Å; H200-Y293 AromaticContact CD2-CD2 3.95Å; H200-Y293 AromaticContact CE1-CD2 3.88Å; H200-Y293 AromaticContact CE1-CE2 3.47Å; H200-Y293 VanDerWaalsContact CE1-CE2 3.47Å; H200-Y293 WeakPolarHBondContact CE1-CE2 3.49Å; H200-Y293 AromaticContact CG-CD2 3.33Å; H200-Y293 AromaticContact CG-CE2 3.77Å; H200-Y293 AromaticContact CG-CG 3.86Å; H200-Y293 AromaticContact ND1-CD2 3.29Å; H200-Y293 VanDerWaalsContact ND1-CD2 3.29Å; H200-Y293 WeakPolarHBondContact ND1-CD2 3.49Å; H200-Y293 AromaticContact ND1-CE2 3.26Å; H200-Y293 VanDerWaalsContact ND1-CE2 3.26Å; H200-Y293 WeakPolarHBondContact ND1-CE2 3.32Å; H200-A299 HydrophobicContact CB-CB 4.46Å; H200-N302 PolarHBondContact NE2-OD1 3.16Å
201L98.1Very high97.3Very high6 Ų627.7 Ų27.73%0.03113%0.126CC..Hα-helixtrans-56.4-40.1-177.4176.961.5000113.6L11 I12 S15 V166 L167 S168 D203 M204 V205L11-L201 HydrophobicContact CD1-CD2 4.03Å; L11-L201 HydrophobicContact CG-CD1 4.44Å; L11-L201 HydrophobicContact CG-CD2 4.24Å; I12-L201 HydrophobicContact CG1-CD1 4.23Å; S15-L201 WeakPolarHBondContact OG-CD2 3.38Å; V166-L201 HydrophobicContact CG1-CB 4.01Å; V166-L201 HydrophobicContact CG1-CD1 3.96Å; L167-L201 PolarHBondContact O-N 2.91Å; S168-L201 WeakPolarHBondContact OG-CD2 3.31Å; L201-D203 VanDerWaalsContact C-N 3.32Å; L201-D203 PolarHBondContact O-N 2.84Å; L201-M204 WeakPolarHBondContact O-CB 3.41Å; L201-M204 PolarHBondContact O-N 2.93Å; L201-V205 HydrophobicContact CD1-CG2 4.39Å; L201-V205 WeakPolarHBondContact O-CG2 3.46Å; L201-V205 PolarHBondContact O-N 2.95Å
202D97.9Very high97.6Very high58 Ų5823.1 Ų23.131%0.3110%0.098SC..Hα-helixtrans-57.2-45.7174-67.912.1000111.5H200 M204 V205 R206 K292 Y293H200-D202 VanDerWaalsContact C-N 3.3Å; H200-D202 IonicContact CE1-OD1 2.8Å; H200-D202 IonicContact CE1-OD2 2.69Å; H200-D202 WeakPolarHBondContact ND1-CB 3.44Å; H200-D202 PolarHBondContact ND1-N 2.91Å; H200-D202 VanDerWaalsContact ND1-N 3.15Å; H200-D202 IonicContact ND1-OD1 3.89Å; H200-D202 PolarHBondContact O-N 3.49Å; D202-M204 VanDerWaalsContact C-N 3.34Å; D202-V205 PolarHBondContact O-N 2.9Å; D202-R206 WeakPolarHBondContact O-CB 3.28Å; D202-R206 VanDerWaalsContact O-CG 3.26Å; D202-R206 WeakPolarHBondContact O-CG 3.31Å; D202-R206 PolarHBondContact O-N 2.83Å; D202-K292 IonicContact OD2-NZ 2.75Å; D202-K292 PolarHBondContact OD2-NZ 3.09Å; D202-Y293 HydrophobicContact CB-CD2 4.41Å; D202-Y293 HydrophobicContact CB-CE2 3.84Å; D202-Y293 WeakPolarHBondContact OD2-CE2 2.98Å; D202-Y293 PolarHBondContact OD2-OH 3.21Å
203D98.6Very high97.8Very high1 Ų125.2 Ų25.21%0.00511%0.109CC..Hα-helixtrans-68.7-35.4178.6-77.6-39000111.5I199 H200 L201 V205 R206 I207 F291 K292 Y293I199-D203 HydrophobicContact CD1-CB 4.29Å; I199-D203 HydrophobicContact CG1-CB 4.06Å; H200-D203 PolarHBondContact O-N 2.77Å; L201-D203 VanDerWaalsContact C-N 3.32Å; L201-D203 PolarHBondContact O-N 2.84Å; D203-V205 PolarHBondContact O-N 2.81Å; D203-R206 PolarHBondContact O-N 3.29Å; D203-R206 IonicContact OD1-CZ 3.84Å; D203-R206 IonicContact OD1-NH1 3.97Å; D203-R206 PolarHBondContact OD1-NH1 3.01Å; D203-I207 WeakPolarHBondContact O-CB 3.35Å; D203-I207 WeakPolarHBondContact O-CD1 3.38Å; D203-I207 WeakPolarHBondContact O-CG1 3.27Å; D203-I207 PolarHBondContact O-N 3.42Å; D203-F291 HydrophobicContact CB-CD1 4.28Å; D203-K292 WeakPolarHBondContact OD1-CB 3.48Å; D203-K292 PolarHBondContact OD1-N 3.12Å; D203-K292 PolarHBondContact OD2-N 3.17Å; D203-Y293 PolarHBondContact OD2-N 3.42Å
204M98.6Very high97.8Very high1 Ų119.1 Ų19.11%0.0059%0.089CC..Hα-helixtrans-59.4-46172.9-17765.7-155.100111.6I12 L161 T163 I199 H200 L201 D202 I207 I208 C225I12-M204 HydrophobicContact CD1-CE 4.42Å; I12-M204 HydrophobicContact CD1-CG 4.12Å; I12-M204 HydrophobicContact CG1-CG 4.3Å; I12-M204 HydrophobicContact CG2-CG 3.95Å; L161-M204 HydrophobicContact CB-CE 4.35Å; L161-M204 HydrophobicContact CD1-CE 4.04Å; T163-M204 HydrophobicContact CG2-CE 4.15Å; T163-M204 HydrophobicContact CG2-SD 3.67Å; T163-M204 WeakPolarHBondContact OG1-CE 3.29Å; I199-M204 HydrophobicContact CD1-CB 4.16Å; I199-M204 HydrophobicContact CD1-SD 4.3Å; I199-M204 HydrophobicContact CG1-CB 4.37Å; I199-M204 HydrophobicContact CG2-CB 4.36Å; I199-M204 HydrophobicContact CG2-SD 4.48Å; H200-M204 PolarHBondContact O-N 3.47Å; L201-M204 WeakPolarHBondContact O-CB 3.41Å; L201-M204 PolarHBondContact O-N 2.93Å; D202-M204 VanDerWaalsContact C-N 3.34Å; M204-I207 PolarHBondContact O-N 3.35Å; M204-I208 HydrophobicContact CE-CD1 3.77Å; M204-I208 HydrophobicContact CE-CG1 3.94Å; M204-I208 WeakPolarHBondContact O-CG1 3.43Å; M204-I208 PolarHBondContact O-N 3.41Å; M204-C225 HydrophobicContact CE-CB 4.14Å; M204-C225 HydrophobicContact SD-CB 3.55Å; M204-C225 VanDerWaalsContact SD-CB 3.55Å
205V98.6Very high97.8Very high8 Ų827.2 Ų27.25%0.04813%0.127CC..Hα-helixtrans-64.4-47177171.90000110.7L16 L201 D202 D203 I207 I208 E209L16-V205 HydrophobicContact CB-CG2 4.46Å; L16-V205 HydrophobicContact CD1-CG1 4.09Å; L201-V205 HydrophobicContact CD1-CG2 4.39Å; L201-V205 WeakPolarHBondContact O-CG2 3.46Å; L201-V205 PolarHBondContact O-N 2.95Å; D202-V205 PolarHBondContact O-N 2.9Å; D203-V205 PolarHBondContact O-N 2.81Å; V205-I207 VanDerWaalsContact C-N 3.27Å; V205-I207 PolarHBondContact O-N 2.76Å; V205-I208 PolarHBondContact O-N 3.04Å; V205-I208 VanDerWaalsContact O-N 3.07Å; V205-E209 HydrophobicContact CG1-CG 4.47Å; V205-E209 WeakPolarHBondContact O-CG 3.42Å; V205-E209 PolarHBondContact O-N 3.33Å
206R98.5Very high97.8Very high82 Ų8229.6 Ų29.631%0.30914%0.136SC..Hα-helixtrans-59.7-36.3177.8-72.6174.867.4-125-2.1112.5D202 D203 E209 Y210 F289 E290D202-R206 WeakPolarHBondContact O-CB 3.28Å; D202-R206 VanDerWaalsContact O-CG 3.26Å; D202-R206 WeakPolarHBondContact O-CG 3.31Å; D202-R206 PolarHBondContact O-N 2.83Å; D203-R206 PolarHBondContact O-N 3.29Å; D203-R206 IonicContact OD1-CZ 3.84Å; D203-R206 IonicContact OD1-NH1 3.97Å; D203-R206 PolarHBondContact OD1-NH1 3.01Å; R206-E209 PolarHBondContact O-N 3.19Å; R206-Y210 WeakPolarHBondContact O-CB 3.49Å; R206-Y210 PolarHBondContact O-N 3.07Å; R206-F289 HydrophobicContact CB-CE2 4.09Å; R206-F289 HydrophobicContact CB-CZ 3.83Å; R206-E290 PolarHBondContact NH1-O 2.88Å; R206-E290 PolarHBondContact NH2-O 3.06Å
207I98.8Very high97.6Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-64.5-45.1174.5-73.7162.2000110.5I199 D203 M204 V205 E209 Y210 V211 C225 L284 F289 F291I199-I207 HydrophobicContact CD1-CD1 3.3Å; D203-I207 WeakPolarHBondContact O-CB 3.35Å; D203-I207 WeakPolarHBondContact O-CD1 3.38Å; D203-I207 WeakPolarHBondContact O-CG1 3.27Å; D203-I207 PolarHBondContact O-N 3.42Å; M204-I207 PolarHBondContact O-N 3.35Å; V205-I207 VanDerWaalsContact C-N 3.27Å; V205-I207 PolarHBondContact O-N 2.76Å; I207-E209 VanDerWaalsContact C-N 3.33Å; I207-E209 PolarHBondContact O-N 3.01Å; I207-Y210 PolarHBondContact O-N 3.26Å; I207-V211 WeakPolarHBondContact O-CG1 3.29Å; I207-V211 WeakPolarHBondContact O-CG2 3.32Å; I207-V211 PolarHBondContact O-N 2.83Å; I207-C225 HydrophobicContact CD1-CB 4.37Å; I207-L284 HydrophobicContact CD1-CD1 3.59Å; I207-L284 HydrophobicContact CG1-CD1 3.76Å; I207-L284 HydrophobicContact CG1-CD2 4.35Å; I207-L284 HydrophobicContact CG2-CD1 4.03Å; I207-L284 HydrophobicContact CG2-CD2 4.2Å; I207-F289 HydrophobicContact CB-CZ 4.5Å; I207-F289 HydrophobicContact CD1-CE1 4.2Å; I207-F289 HydrophobicContact CD1-CZ 4.4Å; I207-F289 HydrophobicContact CG1-CD1 4.27Å; I207-F289 HydrophobicContact CG1-CD2 4.48Å; I207-F289 HydrophobicContact CG1-CE1 3.68Å; I207-F289 HydrophobicContact CG1-CE2 3.91Å; I207-F289 HydrophobicContact CG1-CZ 3.48Å; I207-F289 VanDerWaalsContact CG1-CZ 3.48Å; I207-F291 HydrophobicContact CD1-CE1 4.01Å
208I98.7Very high97.6Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-62.3-43.5178.3-61.9169.8000110.5I12 L16 V58 L60 L161 M204 V205 S212I12-I208 HydrophobicContact CG2-CD1 3.7Å; L16-I208 HydrophobicContact CD1-CB 4.02Å; L16-I208 HydrophobicContact CD1-CG2 3.79Å; L16-I208 HydrophobicContact CD2-CB 4.43Å; L16-I208 HydrophobicContact CD2-CD1 4.03Å; L16-I208 HydrophobicContact CD2-CG2 3.69Å; L16-I208 HydrophobicContact CG-CG2 4.41Å; V58-I208 HydrophobicContact CG1-CG2 4.1Å; V58-I208 HydrophobicContact CG2-CG2 4.35Å; L60-I208 HydrophobicContact CD1-CD1 4.41Å; L60-I208 HydrophobicContact CD2-CD1 4.23Å; L161-I208 HydrophobicContact CD1-CD1 4.18Å; L161-I208 HydrophobicContact CD1-CG1 3.8Å; M204-I208 HydrophobicContact CE-CD1 3.77Å; M204-I208 HydrophobicContact CE-CG1 3.94Å; M204-I208 WeakPolarHBondContact O-CG1 3.43Å; M204-I208 PolarHBondContact O-N 3.41Å; V205-I208 PolarHBondContact O-N 3.04Å; V205-I208 VanDerWaalsContact O-N 3.07Å; I208-S212 WeakPolarHBondContact O-CB 3.44Å; I208-S212 PolarHBondContact O-N 3.25Å; I208-S212 PolarHBondContact O-OG 3.45Å
209E98.3Very high97.4Very high45 Ų4539.4 Ų39.421%0.2120%0.197CC..Hα-helixtrans-61-46.3174.4-69.9176.1167.400111.3L16 S19 L20 V205 R206 I207 V211 S212 D213L16-E209 HydrophobicContact CD1-CG 4.19Å; S19-E209 WeakPolarHBondContact CB-OE1 3.41Å; S19-E209 PolarHBondContact OG-OE1 3.1Å; L20-E209 HydrophobicContact CD2-CG 3.99Å; V205-E209 HydrophobicContact CG1-CG 4.47Å; V205-E209 WeakPolarHBondContact O-CG 3.42Å; V205-E209 PolarHBondContact O-N 3.33Å; R206-E209 PolarHBondContact O-N 3.19Å; I207-E209 VanDerWaalsContact C-N 3.33Å; I207-E209 PolarHBondContact O-N 3.01Å; E209-V211 PolarHBondContact O-N 2.91Å; E209-S212 WeakPolarHBondContact CA-OG 3.26Å; E209-S212 PolarHBondContact O-N 3Å; E209-S212 PolarHBondContact O-OG 3.33Å; E209-S212 VanDerWaalsContact O-OG 3.05Å; E209-D213 PolarHBondContact O-N 3.06Å
210Y98.3Very high97.4Very high36 Ų3642.1 Ų42.114%0.14122%0.216CC..Hα-helixtrans-60.4-44.1-179.9-174.1-87.2000112.8R206 I207 R216 F218 L284 A287 F289R206-Y210 WeakPolarHBondContact O-CB 3.49Å; R206-Y210 PolarHBondContact O-N 3.07Å; I207-Y210 PolarHBondContact O-N 3.26Å; Y210-R216 VanDerWaalsContact CE1-CD 3.46Å; Y210-R216 WeakPolarHBondContact O-CD 3.4Å; Y210-F218 HydrophobicContact CD1-CD2 4.35Å; Y210-F218 HydrophobicContact CD1-CE2 4.46Å; Y210-F218 AromaticContact CE1-CD2 3.76Å; Y210-F218 HydrophobicContact CE1-CD2 3.76Å; Y210-F218 AromaticContact CE1-CE2 3.97Å; Y210-F218 HydrophobicContact CE1-CE2 3.97Å; Y210-L284 HydrophobicContact CD1-CD2 4.4Å; Y210-A287 HydrophobicContact CE1-CB 4.2Å; Y210-A287 PolarHBondContact OH-O 2.88Å; Y210-F289 HydrophobicContact CD1-CD2 4.14Å; Y210-F289 AromaticContact CD2-CD2 3.66Å; Y210-F289 HydrophobicContact CD2-CD2 3.66Å; Y210-F289 HydrophobicContact CD2-CE2 4.27Å; Y210-F289 HydrophobicContact CE2-CD2 4.13Å; Y210-F289 AromaticContact CG-CD2 3.65Å; Y210-F289 HydrophobicContact CG-CD2 3.65Å; Y210-F289 HydrophobicContact CG-CE2 4.18Å
211V98.2Very high97.3Very high0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-81.4-18.1179.3-54.70000113.2I109 R157 I159 L161 I207 E209 F218 L284I109-V211 HydrophobicContact CD1-CG2 4.07Å; R157-V211 WeakPolarHBondContact CD-O 3.36Å; R157-V211 PolarHBondContact NH1-O 2.89Å; I159-V211 HydrophobicContact CG1-CB 4.42Å; I159-V211 HydrophobicContact CG2-CG2 4.3Å; L161-V211 HydrophobicContact CD2-CG2 4.26Å; I207-V211 WeakPolarHBondContact O-CG1 3.29Å; I207-V211 WeakPolarHBondContact O-CG2 3.32Å; I207-V211 PolarHBondContact O-N 2.83Å; E209-V211 PolarHBondContact O-N 2.91Å; V211-F218 HydrophobicContact CB-CD1 4.41Å; V211-F218 HydrophobicContact CG1-CD1 4.06Å; V211-F218 HydrophobicContact CG1-CE1 3.8Å; V211-F218 HydrophobicContact CG1-CZ 4.02Å; V211-L284 HydrophobicContact CG1-CD2 4.48Å
212S97.6Very high97.3Very high2 Ų243.8 Ų43.81%0.01423%0.231CC..Hα-helixtrans-88.8-14.9175.561.40000114.5I109 I208 E209 L214I109-S212 VanDerWaalsContact CD1-CB 3.42Å; I208-S212 WeakPolarHBondContact O-CB 3.44Å; I208-S212 PolarHBondContact O-N 3.25Å; I208-S212 PolarHBondContact O-OG 3.45Å; E209-S212 WeakPolarHBondContact CA-OG 3.26Å; E209-S212 PolarHBondContact O-N 3Å; E209-S212 PolarHBondContact O-OG 3.33Å; E209-S212 VanDerWaalsContact O-OG 3.05Å; S212-L214 PolarHBondContact O-N 2.97Å; S212-L214 VanDerWaalsContact O-N 3.08Å
213D97.2Very high97.3Very high44 Ų4441 Ų4124%0.23522%0.216CC..  trans-60.3107.4173-179.1-0.4000110.7R157 E209 E215 R216R157-D213 PolarHBondContact NH1-O 3.23Å; E209-D213 PolarHBondContact O-N 3.06Å; D213-E215 VanDerWaalsContact C-N 3.28Å; D213-E215 PolarHBondContact O-N 2.83Å; D213-E215 PolarHBondContact OD1-N 3.43Å; D213-E215 VanDerWaalsContact OD1-N 3.16Å; D213-R216 HydrophobicContact CB-CB 4.06Å; D213-R216 WeakPolarHBondContact O-CB 3.32Å; D213-R216 PolarHBondContact O-N 2.95Å; D213-R216 IonicContact OD2-CZ 3.34Å; D213-R216 IonicContact OD2-NE 3.07Å; D213-R216 PolarHBondContact OD2-NE 3.1Å; D213-R216 IonicContact OD2-NH2 2.75Å; D213-R216 PolarHBondContact OD2-NH2 3.05Å
214L96.1Very high97.4Very high39 Ų3941 Ų4120%0.20422%0.216CC..THydrogen-bonded Turntrans-72.4-20.9-173.8-62.6179.4000113.3M1 D55 V56 K106 A107 S212 R216M1-L214 HydrophobicContact SD-CB 4.31Å; M1-L214 HydrophobicContact SD-CD1 3.68Å; M1-L214 HydrophobicContact SD-CG 3.81Å; D55-L214 HydrophobicContact CB-CD1 4.34Å; V56-L214 HydrophobicContact CG2-CD1 4.21Å; V56-L214 HydrophobicContact CG2-CD2 4.16Å; V56-L214 HydrophobicContact CG2-CG 4.25Å; K106-L214 HydrophobicContact CB-CD1 3.81Å; K106-L214 HydrophobicContact CB-CD2 3.8Å; K106-L214 HydrophobicContact CB-CG 4.47Å; K106-L214 HydrophobicContact CD-CD1 3.51Å; K106-L214 HydrophobicContact CG-CD1 4.3Å; A107-L214 HydrophobicContact CB-CD2 3.92Å; S212-L214 PolarHBondContact O-N 2.97Å; S212-L214 VanDerWaalsContact O-N 3.08Å; L214-R216 VanDerWaalsContact C-N 3.3Å
215E95.6Very high97.4Very high179 Ų17940.9 Ų40.984%0.83622%0.215SC*.THydrogen-bonded Turntrans-79.8-18.9176.7-59.4-57.4139.100111.6D213D213-E215 VanDerWaalsContact C-N 3.28Å; D213-E215 PolarHBondContact O-N 2.83Å; D213-E215 PolarHBondContact OD1-N 3.43Å; D213-E215 VanDerWaalsContact OD1-N 3.16Å
216R96.2Very high97.4Very high87 Ų8740.5 Ų40.533%0.32821%0.213SC..SBendtrans-81.5132.2179.3-173.8175.2-51.6-68.4-20.3111.4R157 Y210 D213 L214 F218R157-R216 PolarHBondContact NH2-O 2.81Å; Y210-R216 VanDerWaalsContact CE1-CD 3.46Å; Y210-R216 WeakPolarHBondContact O-CD 3.4Å; D213-R216 HydrophobicContact CB-CB 4.06Å; D213-R216 WeakPolarHBondContact O-CB 3.32Å; D213-R216 PolarHBondContact O-N 2.95Å; D213-R216 IonicContact OD2-CZ 3.34Å; D213-R216 IonicContact OD2-NE 3.07Å; D213-R216 PolarHBondContact OD2-NE 3.1Å; D213-R216 IonicContact OD2-NH2 2.75Å; D213-R216 PolarHBondContact OD2-NH2 3.05Å; L214-R216 VanDerWaalsContact C-N 3.3Å; R216-F218 PolarHBondContact O-N 3.34Å
217V93.9Very high97.4Very high146 Ų14636.7 Ų36.789%0.88520%0.199SC*.  trans-76.7110.6168-177.70000109.3
218F96.5Very high97.3Very high12 Ų1238.1 Ų38.15%0.05321%0.208CC..  trans-141.7132.6175.6-167.5-89.7000110.3I159 Y210 V211 R216 V223 K283 L284 A287I159-F218 HydrophobicContact CD1-CD1 4.02Å; I159-F218 HydrophobicContact CD1-CE1 4.05Å; Y210-F218 HydrophobicContact CD1-CD2 4.35Å; Y210-F218 HydrophobicContact CD1-CE2 4.46Å; Y210-F218 AromaticContact CE1-CD2 3.76Å; Y210-F218 HydrophobicContact CE1-CD2 3.76Å; Y210-F218 AromaticContact CE1-CE2 3.97Å; Y210-F218 HydrophobicContact CE1-CE2 3.97Å; V211-F218 HydrophobicContact CB-CD1 4.41Å; V211-F218 HydrophobicContact CG1-CD1 4.06Å; V211-F218 HydrophobicContact CG1-CE1 3.8Å; V211-F218 HydrophobicContact CG1-CZ 4.02Å; R216-F218 PolarHBondContact O-N 3.34Å; F218-V223 HydrophobicContact CE1-CG2 3.61Å; F218-V223 HydrophobicContact CZ-CG2 3.99Å; F218-K283 HydrophobicContact CZ-CB 4.24Å; F218-L284 HydrophobicContact CE2-CD2 4.28Å; F218-L284 HydrophobicContact CZ-CD2 4.22Å; F218-A287 HydrophobicContact CD2-CB 3.94Å; F218-A287 HydrophobicContact CE2-CB 3.7Å
219P94.3Very high97.3Very high76 Ų7642.7 Ų42.749%0.49423%0.228SC..  trans-71.8141.3-17529.1-34.8000112.2I159I159-P219 WeakPolarHBondContact CD1-O 3.2Å
220S96.8Very high97.3Very high59 Ų5941.2 Ų41.241%0.41322%0.222SC..  trans-60.7168.5168.9-66.90000112.6Q158 K283Q158-S220 PolarHBondContact N-OG 2.93Å; Q158-S220 CarbonylContact O-C 3.12Å; Q158-S220 VanDerWaalsContact O-CA 3.26Å; Q158-S220 WeakPolarHBondContact O-CA 3.31Å; Q158-S220 VanDerWaalsContact O-CB 3.27Å; Q158-S220 WeakPolarHBondContact O-CB 3.47Å; S220-K283 PolarHBondContact O-NZ 3.02Å
221G97.2Very high97.2Very high17 Ų1740.5 Ų40.518%0.17522%0.221CC..EExtended strand (participates in β ladder)trans103.8-16317700000113.3Q158 I159 Q160Q158-G221 PolarHBondContact O-N 3.01Å; I159-G221 WeakPolarHBondContact CA-O 3.49Å; Q160-G221 PolarHBondContact N-O 3.46Å; Q160-G221 VanDerWaalsContact OE1-CA 3.31Å; Q160-G221 PolarHBondContact OE1-O 3.02Å
222P97.9Very high97.1Very high27 Ų2743.8 Ų43.818%0.17524%0.237CC..EExtended strand (participates in β ladder)trans-68.4146.5-17627.4-34.7000111.1E127 Q160 K283E127-P222 HydrophobicContact CB-CG 4.32Å; Q160-P222 WeakPolarHBondContact O-CA 3.47Å; P222-K283 VanDerWaalsContact O-CD 3.26Å; P222-K283 WeakPolarHBondContact O-CD 3.28Å; P222-K283 VanDerWaalsContact O-CE 3.3Å; P222-K283 WeakPolarHBondContact O-CE 3.2Å; P222-K283 PolarHBondContact O-NZ 3.04Å
223V98.7Very high97Very high0 Ų044.3 Ų44.30%024%0.239CC..EExtended strand (participates in β ladder)trans-134.5122.4174.9178.50000107.9I159 Q160 R162 F218 C225 L284I159-V223 HydrophobicContact CD1-CG2 4.09Å; I159-V223 HydrophobicContact CG2-CB 4.2Å; I159-V223 HydrophobicContact CG2-CG2 3.72Å; Q160-V223 PolarHBondContact O-N 3.44Å; R162-V223 PolarHBondContact N-O 2.8Å; F218-V223 HydrophobicContact CE1-CG2 3.61Å; F218-V223 HydrophobicContact CZ-CG2 3.99Å; V223-C225 PolarHBondContact O-N 3.23Å; V223-L284 HydrophobicContact CG1-CD1 3.95Å; V223-L284 HydrophobicContact CG1-CD2 4.11Å; V223-L284 HydrophobicContact CG1-CG 3.82Å
224N98.7Very high96.8Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-77.5113.8174.4-72.5-30.3000109.3Y117 E127 T226 V279 I280 P281 L284Y117-N224 VanDerWaalsContact CE2-OD1 3.29Å; Y117-N224 WeakPolarHBondContact CE2-OD1 3.3Å; Y117-N224 VanDerWaalsContact OH-CG 3.28Å; Y117-N224 PolarHBondContact OH-ND2 2.85Å; Y117-N224 PolarHBondContact OH-OD1 3.38Å; E127-N224 HydrophobicContact CG-CB 4.25Å; E127-N224 PolarHBondContact N-ND2 2.84Å; E127-N224 WeakPolarHBondContact OE1-CB 3.31Å; E127-N224 PolarHBondContact OE1-N 2.82Å; N224-T226 VanDerWaalsContact C-N 3.34Å; N224-T226 PolarHBondContact O-N 3.06Å; N224-V279 HydrophobicContact CB-CG1 3.78Å; N224-V279 VanDerWaalsContact ND2-CG1 3.27Å; N224-V279 WeakPolarHBondContact ND2-CG1 3.3Å; N224-I280 PolarHBondContact ND2-O 3.48Å; N224-P281 HydrophobicContact CB-CB 4.38Å; N224-P281 VanDerWaalsContact O-CB 3.28Å; N224-P281 WeakPolarHBondContact O-CB 3.4Å; N224-L284 WeakPolarHBondContact O-CD1 3.38Å
225C98.7Very high96.7Very high0 Ų046.2 Ų46.20%025%0.254CS..EExtended strand (participates in β ladder)trans-94.672.7176.1-51.60000108.7R162 G164 I199 M204 I207 V223R162-C225 PolarHBondContact O-N 3.05Å; G164-C225 PolarHBondContact N-O 3.21Å; G164-C225 VanDerWaalsContact N-O 3.13Å; I199-C225 HydrophobicContact CD1-CB 4.13Å; I199-C225 WeakPolarHBondContact CG2-O 3.44Å; M204-C225 HydrophobicContact CE-CB 4.14Å; M204-C225 HydrophobicContact SD-CB 3.55Å; M204-C225 VanDerWaalsContact SD-CB 3.55Å; I207-C225 HydrophobicContact CD1-CB 4.37Å; V223-C225 PolarHBondContact O-N 3.23Å
226T98.7Very high96.7Very high0 Ų038 Ų380%022%0.215CC..SBendtrans-130.1154.9178.663.40000109.9V114 W198 N224 V279 P281 F291V114-T226 HydrophobicContact CG1-CG2 3.64Å; W198-T226 CarbonylContact O-C 3.58Å; W198-T226 WeakPolarHBondContact O-CA 3.27Å; N224-T226 VanDerWaalsContact C-N 3.34Å; N224-T226 PolarHBondContact O-N 3.06Å; T226-V279 HydrophobicContact CG2-CB 4.21Å; T226-V279 HydrophobicContact CG2-CG1 4.15Å; T226-V279 PolarHBondContact OG1-O 3.15Å; T226-P281 WeakPolarHBondContact O-CG 3.43Å; T226-F291 WeakPolarHBondContact O-CE1 3.35Å; T226-F291 WeakPolarHBondContact O-CZ 3.46Å
227S98.4Very high96.4Very high2 Ų234 Ų341%0.01420%0.201CC..  trans-58.4146.7161.3156.10000109W198 K229 P294W198-S227 WeakPolarHBondContact CZ2-OG 3.37Å; W198-S227 WeakPolarHBondContact O-CB 3.44Å; W198-S227 PolarHBondContact O-N 3.31Å; S227-K229 PolarHBondContact O-N 3.31Å; S227-K229 VanDerWaalsContact O-N 3.12Å; S227-K229 PolarHBondContact OG-N 2.9Å; S227-K229 VanDerWaalsContact OG-N 3.08Å; S227-P294 PolarHBondContact OG-O 2.87Å
228P98.1Very high96.3Very high29 Ų2932.1 Ų32.119%0.18818%0.181CC..SBendtrans-65.3-10.9175.729-36.3000113.9P230 P281 L285 F291 P294P228-P230 WeakPolarHBondContact O-CD 3.4Å; P228-P281 HydrophobicContact CB-CG 4.29Å; P228-L285 HydrophobicContact CB-CD1 4.28Å; P228-L285 HydrophobicContact CB-CD2 4.18Å; P228-F291 HydrophobicContact CG-CD2 4.1Å; P228-F291 HydrophobicContact CG-CE2 4.4Å; P228-F291 HydrophobicContact CG-CG 4.41Å; P228-P294 HydrophobicContact CG-CB 4.01Å
229K97.9Very high96.1Very high96 Ų9632 Ų3242%0.41718%0.182SC..SBendtrans-121.775.5-175.6-63.4175.4178.7176.20110.6W198 S227 D295W198-K229 PolarHBondContact NE1-O 2.9Å; W198-K229 VanDerWaalsContact NE1-O 3.08Å; S227-K229 PolarHBondContact O-N 3.31Å; S227-K229 VanDerWaalsContact O-N 3.12Å; S227-K229 PolarHBondContact OG-N 2.9Å; S227-K229 VanDerWaalsContact OG-N 3.08Å; K229-D295 WeakPolarHBondContact CD-OD1 3.22Å; K229-D295 WeakPolarHBondContact CE-OD1 3.43Å; K229-D295 IonicContact NZ-OD1 2.75Å; K229-D295 PolarHBondContact NZ-OD1 3.3Å; K229-D295 IonicContact NZ-OD2 3.53Å; K229-D295 PolarHBondContact NZ-OD2 3.32Å
230P97.8Very high96Very high15 Ų1528.7 Ų28.710%0.09716%0.16CC..  trans-60147.7169.428.1-35.4000109.9W195 P228 R278 I280W195-P230 HydrophobicContact CE3-CB 4.45Å; P228-P230 WeakPolarHBondContact O-CD 3.4Å; P230-R278 HydrophobicContact CB-CG 4.29Å; P230-R278 HydrophobicContact CG-CG 3.59Å; P230-I280 HydrophobicContact CG-CD1 3.97Å
231V97.3Very high95.7Very high20 Ų2027 Ų2712%0.12115%0.15CC..EExtended strand (participates in β ladder)trans-123.6159.1-177.1-65.10000110.2M196 T235 F236 I296M196-V231 PolarHBondContact N-O 3.34Å; M196-V231 PolarHBondContact O-N 3.33Å; V231-T235 HydrophobicContact CB-CG2 4.4Å; V231-F236 HydrophobicContact CG2-CB 3.88Å; V231-I296 HydrophobicContact CG1-CB 4.37Å; V231-I296 HydrophobicContact CG1-CG2 4.11Å
232Q96.5Very high95.3Very high69 Ų6928.3 Ų28.332%0.32215%0.152SC..EExtended strand (participates in β ladder)trans-72.9151.4168-69.2-177.7-26.900110.1W195 V234 T235 F236W195-Q232 HydrophobicContact CD2-CG 4.3Å; W195-Q232 HydrophobicContact CE3-CG 4.1Å; W195-Q232 HydrophobicContact CH2-CG 4.15Å; W195-Q232 HydrophobicContact CZ2-CG 4.34Å; W195-Q232 HydrophobicContact CZ3-CG 4.03Å; Q232-V234 HydrophobicContact CB-CG1 4.04Å; Q232-V234 PolarHBondContact O-N 3.04Å; Q232-T235 WeakPolarHBondContact O-CB 3.49Å; Q232-T235 PolarHBondContact O-N 3.18Å; Q232-F236 PolarHBondContact O-N 3.16Å
233Q94.8Very high95Very high14 Ų1427.2 Ų27.27%0.06515%0.145CC..Hα-helixtrans-59.1-36.8-177.9-167-76.2-1500111.8I189 G192 Q194 T235 F236 A237I189-Q233 HydrophobicContact CB-CG 4.46Å; I189-Q233 VanDerWaalsContact CG1-NE2 3.29Å; G192-Q233 PolarHBondContact O-N 3.46Å; Q194-Q233 HydrophobicContact CG-CB 4.02Å; Q194-Q233 PolarHBondContact O-N 3.41Å; Q233-T235 PolarHBondContact O-N 3.4Å; Q233-F236 WeakPolarHBondContact O-CB 3.44Å; Q233-F236 PolarHBondContact O-N 3.02Å; Q233-A237 WeakPolarHBondContact O-CB 3.38Å; Q233-A237 PolarHBondContact O-N 3.42Å
234V93.5Very high94.6Very high60 Ų6028.4 Ų28.436%0.36415%0.151SC..Hα-helixtrans-60-43.1174.961.40000112.1P188 G192 Q232 F236 A237 K238P188-V234 HydrophobicContact CB-CB 4.38Å; P188-V234 HydrophobicContact CB-CG2 4.42Å; P188-V234 HydrophobicContact CG-CB 4.31Å; P188-V234 HydrophobicContact CG-CG2 3.87Å; G192-V234 WeakPolarHBondContact O-CG1 3.41Å; G192-V234 PolarHBondContact O-N 2.96Å; Q232-V234 HydrophobicContact CB-CG1 4.04Å; Q232-V234 PolarHBondContact O-N 3.04Å; V234-F236 VanDerWaalsContact C-N 3.35Å; V234-A237 PolarHBondContact O-N 3.43Å; V234-K238 WeakPolarHBondContact O-CB 3.2Å; V234-K238 PolarHBondContact O-N 2.95Å
235T94.2Very high94Very high63 Ų6330 Ų3039%0.38717%0.167SC..Hα-helixtrans-64.6-42.9176.5-52.10000110.7V231 Q232 Q233 A239V231-T235 HydrophobicContact CB-CG2 4.4Å; Q232-T235 WeakPolarHBondContact O-CB 3.49Å; Q232-T235 PolarHBondContact O-N 3.18Å; Q233-T235 PolarHBondContact O-N 3.4Å; T235-A239 WeakPolarHBondContact O-CB 3.28Å; T235-A239 PolarHBondContact O-N 3.33Å
236F94.1Very high93.2Very high6 Ų630.9 Ų30.93%0.02617%0.174CC..Hα-helixtrans-63.8-45.7176.7177.2-104.2000112.6L167 F173 M196 V231 Q232 Q233 V234 A239 M240 I296L167-F236 HydrophobicContact CD1-CE2 3.87Å; L167-F236 HydrophobicContact CD2-CE2 4.03Å; L167-F236 HydrophobicContact CD2-CZ 3.91Å; F173-F236 AromaticContact CE1-CE1 3.85Å; F173-F236 HydrophobicContact CE1-CE1 3.85Å; F173-F236 AromaticContact CE1-CZ 3.68Å; F173-F236 HydrophobicContact CE1-CZ 3.68Å; F173-F236 AromaticContact CZ-CE1 3.68Å; F173-F236 HydrophobicContact CZ-CE1 3.68Å; F173-F236 HydrophobicContact CZ-CZ 4.03Å; M196-F236 HydrophobicContact CE-CD1 4.15Å; M196-F236 HydrophobicContact CE-CD2 4.3Å; M196-F236 HydrophobicContact CE-CE1 3.59Å; M196-F236 HydrophobicContact CE-CE2 3.8Å; M196-F236 HydrophobicContact CE-CG 4.43Å; M196-F236 HydrophobicContact CE-CZ 3.37Å; M196-F236 HydrophobicContact SD-CB 4.14Å; M196-F236 HydrophobicContact SD-CD1 3.4Å; M196-F236 WeakPolarHBondContact SD-CD1 3.37Å; M196-F236 HydrophobicContact SD-CD2 3.8Å; M196-F236 HydrophobicContact SD-CE1 3.49Å; M196-F236 WeakPolarHBondContact SD-CE1 3.32Å; M196-F236 HydrophobicContact SD-CE2 3.92Å; M196-F236 HydrophobicContact SD-CG 3.51Å; M196-F236 VanDerWaalsContact SD-CG 3.51Å; M196-F236 HydrophobicContact SD-CZ 3.74Å; V231-F236 HydrophobicContact CG2-CB 3.88Å; Q232-F236 PolarHBondContact O-N 3.16Å; Q233-F236 WeakPolarHBondContact O-CB 3.44Å; Q233-F236 PolarHBondContact O-N 3.02Å; V234-F236 VanDerWaalsContact C-N 3.35Å; F236-A239 PolarHBondContact O-N 2.94Å; F236-M240 HydrophobicContact CD1-CE 4.02Å; F236-M240 HydrophobicContact CE1-CE 3.15Å; F236-M240 HydrophobicContact CE1-SD 4.41Å; F236-M240 HydrophobicContact CE2-CE 3.8Å; F236-M240 HydrophobicContact CZ-CE 3.03Å; F236-M240 VanDerWaalsContact O-CB 3.28Å; F236-M240 WeakPolarHBondContact O-CB 3.15Å; F236-M240 PolarHBondContact O-N 3.26Å; F236-I296 HydrophobicContact CD2-CD1 3.65Å; F236-I296 HydrophobicContact CD2-CG1 4.01Å; F236-I296 HydrophobicContact CE2-CD1 3.76Å
237A91.4Very high92.2Very high4 Ų433.7 Ų33.73%0.03319%0.193CC..Hα-helixtrans-60.5-47.4178.600000111.2P188 Q233 V234 M240 A241P188-A237 HydrophobicContact CG-CB 4.43Å; Q233-A237 WeakPolarHBondContact O-CB 3.38Å; Q233-A237 PolarHBondContact O-N 3.42Å; V234-A237 PolarHBondContact O-N 3.43Å; A237-M240 PolarHBondContact O-N 3.13Å; A237-A241 WeakPolarHBondContact O-CB 3.46Å; A237-A241 PolarHBondContact O-N 2.95Å
238K91Very high90.9Very high106 Ų10642.5 Ų42.546%0.46124%0.236SC..Hα-helixtrans-57.4-52.8175-175.3-171.3173.4-152.60111.6V234 M240 A241 E242V234-K238 WeakPolarHBondContact O-CB 3.2Å; V234-K238 PolarHBondContact O-N 2.95Å; K238-M240 VanDerWaalsContact C-N 3.26Å; K238-M240 PolarHBondContact O-N 3.2Å; K238-A241 PolarHBondContact O-N 3.34Å; K238-E242 WeakPolarHBondContact CE-OE1 3.37Å; K238-E242 IonicContact NZ-OE1 2.86Å; K238-E242 WeakPolarHBondContact O-CG 3.41Å; K238-E242 PolarHBondContact O-N 2.92Å
239A93.1Very high89.6Confident9 Ų943.8 Ų43.87%0.07424%0.241CC..Hα-helixtrans-59.6-39.6-179.300000111.8T235 F236 E242 S243 L300 P308T235-A239 WeakPolarHBondContact O-CB 3.28Å; T235-A239 PolarHBondContact O-N 3.33Å; F236-A239 PolarHBondContact O-N 2.94Å; A239-E242 PolarHBondContact O-N 3.24Å; A239-S243 WeakPolarHBondContact O-CB 3.36Å; A239-S243 PolarHBondContact O-N 3.37Å; A239-S243 PolarHBondContact O-OG 2.99Å; A239-L300 HydrophobicContact CB-CD1 3.56Å; A239-P308 HydrophobicContact CB-CB 3.93Å; A239-P308 HydrophobicContact CB-CG 4.04Å
240M91.5Very high88.2Confident7 Ų746.7 Ų46.73%0.03426%0.259CS..Hα-helixtrans-66.3-44.8176.5-176.2175.8-63.500113F173 I174 V177 F236 A237 K238 E242 S243 L244 L300 F304F173-M240 HydrophobicContact CE1-CE 3.63Å; F173-M240 HydrophobicContact CZ-CE 3.73Å; F173-M240 HydrophobicContact CZ-SD 4.23Å; I174-M240 HydrophobicContact CD1-CE 4.06Å; V177-M240 HydrophobicContact CB-SD 4.19Å; V177-M240 HydrophobicContact CG1-CG 4.36Å; V177-M240 HydrophobicContact CG1-SD 3.65Å; V177-M240 HydrophobicContact CG2-SD 3.92Å; F236-M240 HydrophobicContact CD1-CE 4.02Å; F236-M240 HydrophobicContact CE1-CE 3.15Å; F236-M240 HydrophobicContact CE1-SD 4.41Å; F236-M240 HydrophobicContact CE2-CE 3.8Å; F236-M240 HydrophobicContact CZ-CE 3.03Å; F236-M240 VanDerWaalsContact O-CB 3.28Å; F236-M240 WeakPolarHBondContact O-CB 3.15Å; F236-M240 PolarHBondContact O-N 3.26Å; A237-M240 PolarHBondContact O-N 3.13Å; K238-M240 VanDerWaalsContact C-N 3.26Å; K238-M240 PolarHBondContact O-N 3.2Å; M240-E242 VanDerWaalsContact C-N 3.28Å; M240-E242 PolarHBondContact O-N 3.46Å; M240-S243 PolarHBondContact O-N 2.94Å; M240-L244 HydrophobicContact CG-CD1 3.79Å; M240-L244 WeakPolarHBondContact O-CB 3.41Å; M240-L244 WeakPolarHBondContact O-CG 3.48Å; M240-L244 PolarHBondContact O-N 3.14Å; M240-L300 HydrophobicContact CE-CD2 4.5Å; M240-F304 HydrophobicContact CG-CE2 4.4Å
241A89.4Confident87.1Confident24 Ų2451.4 Ų51.420%0.19828%0.279CS..Hα-helixtrans-57.6-4417700000111.1C186 A237 K238 L244 G245 A246C186-A241 HydrophobicContact CB-CB 3.61Å; A237-A241 WeakPolarHBondContact O-CB 3.46Å; A237-A241 PolarHBondContact O-N 2.95Å; K238-A241 PolarHBondContact O-N 3.34Å; A241-L244 PolarHBondContact O-N 3.13Å; A241-G245 PolarHBondContact O-N 2.7Å; A241-A246 HydrophobicContact CB-CB 4.25Å; A241-A246 PolarHBondContact O-N 3.18Å
242E89.9Confident85.8Confident44 Ų4451.7 Ų51.721%0.20628%0.282CS..Hα-helixtrans-67-43.7178.4-69.7175.616800113K238 A239 M240 L244 G245 R306 P308 R309K238-E242 WeakPolarHBondContact CE-OE1 3.37Å; K238-E242 IonicContact NZ-OE1 2.86Å; K238-E242 WeakPolarHBondContact O-CG 3.41Å; K238-E242 PolarHBondContact O-N 2.92Å; A239-E242 PolarHBondContact O-N 3.24Å; M240-E242 VanDerWaalsContact C-N 3.28Å; M240-E242 PolarHBondContact O-N 3.46Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.97Å; E242-G245 PolarHBondContact O-N 3.25Å; E242-R306 WeakPolarHBondContact O-CD 3.5Å; E242-R306 PolarHBondContact O-NE 2.98Å; E242-R306 VanDerWaalsContact O-NE 3.16Å; E242-P308 HydrophobicContact CB-CB 4.03Å; E242-P308 WeakPolarHBondContact OE2-CA 3.29Å; E242-P308 VanDerWaalsContact OE2-CB 3.27Å; E242-P308 WeakPolarHBondContact OE2-CB 3.45Å; E242-R309 PolarHBondContact OE2-N 3.12Å
243S91.9Very high84.7Confident4 Ų455.3 Ų55.33%0.02830%0.303CS..Hα-helixtrans-64.3-34.3175.9-76.50000112.9A239 M240 G245 L300 R306 P308A239-S243 WeakPolarHBondContact O-CB 3.36Å; A239-S243 PolarHBondContact O-N 3.37Å; A239-S243 PolarHBondContact O-OG 2.99Å; M240-S243 PolarHBondContact O-N 2.94Å; S243-G245 VanDerWaalsContact C-N 3.32Å; S243-L300 WeakPolarHBondContact OG-CB 3.45Å; S243-R306 VanDerWaalsContact CB-O 3.31Å; S243-R306 WeakPolarHBondContact CB-O 3.39Å; S243-R306 WeakPolarHBondContact O-CB 3.5Å; S243-R306 PolarHBondContact OG-O 3.1Å; S243-P308 WeakPolarHBondContact OG-CD 3.39Å
244L88.9Confident84.1Confident25 Ų2556.7 Ų56.713%0.13132%0.317CS..Hα-helixtrans-78.6-17.1175.4-76.5164.7000113.2V177 R178 F181 M240 A241 E242 A246 F304V177-L244 HydrophobicContact CG1-CD1 3.56Å; R178-L244 HydrophobicContact CG-CD2 4.12Å; F181-L244 HydrophobicContact CB-CB 4.38Å; F181-L244 HydrophobicContact CB-CD1 3.84Å; F181-L244 HydrophobicContact CD1-CD2 4.19Å; F181-L244 HydrophobicContact CD2-CB 3.86Å; F181-L244 HydrophobicContact CE2-CB 4.42Å; F181-L244 WeakPolarHBondContact CE2-O 3.49Å; F181-L244 HydrophobicContact CG-CB 4.12Å; F181-L244 HydrophobicContact CG-CD1 4.23Å; F181-L244 HydrophobicContact CG-CD2 4.21Å; F181-L244 HydrophobicContact CG-CG 4.44Å; M240-L244 HydrophobicContact CG-CD1 3.79Å; M240-L244 WeakPolarHBondContact O-CB 3.41Å; M240-L244 WeakPolarHBondContact O-CG 3.48Å; M240-L244 PolarHBondContact O-N 3.14Å; A241-L244 PolarHBondContact O-N 3.13Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.97Å; L244-A246 VanDerWaalsContact C-N 3.29Å; L244-F304 HydrophobicContact CD1-CE1 4.49Å; L244-F304 HydrophobicContact CD1-CZ 4.3Å; L244-F304 HydrophobicContact CD2-CD1 3.54Å; L244-F304 HydrophobicContact CD2-CE1 3.39Å; L244-F304 HydrophobicContact CD2-CG 4.27Å; L244-F304 HydrophobicContact CD2-CZ 3.99Å; L244-F304 HydrophobicContact CG-CD1 4.17Å; L244-F304 HydrophobicContact CG-CE1 3.98Å; L244-F304 HydrophobicContact CG-CE2 4.42Å; L244-F304 HydrophobicContact CG-CG 4.49Å; L244-F304 HydrophobicContact CG-CZ 4.09Å
245G86.6Confident83.9Confident33 Ų3357.1 Ų57.134%0.3432%0.321SS..THydrogen-bonded Turntrans64.335.8-168.800000112.4A241 E242 S243 R306A241-G245 PolarHBondContact O-N 2.7Å; E242-G245 PolarHBondContact O-N 3.25Å; S243-G245 VanDerWaalsContact C-N 3.32Å; G245-R306 VanDerWaalsContact CA-NH1 3.26Å
246A82.6Confident83.6Confident18 Ų1856.1 Ų56.115%0.14931%0.313CS..  trans-57.9138.7177.400000110.4F181 C186 A241 L244 M248F181-A246 HydrophobicContact CD2-CB 4.32Å; C186-A246 HydrophobicContact CB-CB 4.39Å; A241-A246 HydrophobicContact CB-CB 4.25Å; A241-A246 PolarHBondContact O-N 3.18Å; L244-A246 VanDerWaalsContact C-N 3.29Å; A246-M248 PolarHBondContact O-N 3.03Å
247P77.9Confident83.5Confident60 Ų6058.6 Ų58.639%0.3933%0.33SS..  trans-64.3130.2179.425.9-32000109.7F181 P182 N249 S252F181-P247 WeakPolarHBondContact O-CD 3.37Å; P182-P247 WeakPolarHBondContact O-CG 3.37Å; P247-N249 PolarHBondContact O-N 3.21Å; P247-S252 PolarHBondContact O-OG 2.87Å
248M70.1Confident83.5Confident186 Ų18660.9 Ų60.992%0.91635%0.345SS*.  trans-70.4110.2168.1-63.5-159.9-57.300108A246 S252A246-M248 PolarHBondContact O-N 3.03Å; M248-S252 WeakPolarHBondContact CA-OG 3.28Å
249N70.8Confident83.6Confident57 Ų5762.2 Ų62.231%0.30535%0.351SS..  trans-119171.61726830.3000109.5L183 P247 F251 S252L183-N249 PolarHBondContact O-ND2 3.24Å; L183-N249 VanDerWaalsContact O-ND2 3.11Å; P247-N249 PolarHBondContact O-N 3.21Å; N249-F251 PolarHBondContact O-N 3.08Å; N249-F251 VanDerWaalsContact OD1-CA 3.31Å; N249-F251 WeakPolarHBondContact OD1-CA 3.46Å; N249-F251 WeakPolarHBondContact OD1-CB 3.41Å; N249-F251 PolarHBondContact OD1-N 2.88Å; N249-S252 PolarHBondContact N-OG 3.14Å; N249-S252 WeakPolarHBondContact O-CB 3.48Å; N249-S252 PolarHBondContact O-N 3.45Å; N249-S252 PolarHBondContact O-OG 3.44Å; N249-S252 PolarHBondContact OD1-N 3.44Å; N249-S252 PolarHBondContact OD1-OG 2.61Å
250I69.5Low83.5Confident156 Ų15664.8 Ų64.880%0.836%0.364SS*.THydrogen-bonded Turntrans-58.8-16.7-179.758.8168.6000113.5
251F73.5Confident83.5Confident115 Ų11566.1 Ų66.150%0.50437%0.369SS..THydrogen-bonded Turntrans-96.5-8.3178.1-59.8-70.3000113N187 N249 D253 A254N187-F251 PolarHBondContact ND2-O 3.39Å; N249-F251 PolarHBondContact O-N 3.08Å; N249-F251 VanDerWaalsContact OD1-CA 3.31Å; N249-F251 WeakPolarHBondContact OD1-CA 3.46Å; N249-F251 WeakPolarHBondContact OD1-CB 3.41Å; N249-F251 PolarHBondContact OD1-N 2.88Å; F251-D253 PolarHBondContact O-N 2.95Å; F251-A254 HydrophobicContact CB-CB 4.43Å; F251-A254 HydrophobicContact CD1-CB 4.5Å; F251-A254 VanDerWaalsContact O-CB 3.25Å; F251-A254 WeakPolarHBondContact O-CB 3.4Å; F251-A254 PolarHBondContact O-N 3.21Å
252S70.2Confident83.5Confident26 Ų2667.3 Ų67.318%0.18237%0.374CS..THydrogen-bonded Turntrans-57.9-27.8-171-64.80000114.4N187 P247 M248 N249N187-S252 VanDerWaalsContact CG-O 3.27Å; N187-S252 PolarHBondContact OD1-O 2.78Å; P247-S252 PolarHBondContact O-OG 2.87Å; M248-S252 WeakPolarHBondContact CA-OG 3.28Å; N249-S252 PolarHBondContact N-OG 3.14Å; N249-S252 WeakPolarHBondContact O-CB 3.48Å; N249-S252 PolarHBondContact O-N 3.45Å; N249-S252 PolarHBondContact O-OG 3.44Å; N249-S252 PolarHBondContact OD1-N 3.44Å; N249-S252 PolarHBondContact OD1-OG 2.61Å
253D73.1Confident83.5Confident145 Ų14570 Ų7078%0.77539%0.389SS*.THydrogen-bonded Turntrans-96.3-7.5175.9-63.3-36.8000113.6F251 P255F251-D253 PolarHBondContact O-N 2.95Å; D253-P255 VanDerWaalsContact O-CD 3.25Å; D253-P255 WeakPolarHBondContact O-CD 3.34Å
254A83.4Confident83.4Confident42 Ų4273.6 Ų73.635%0.34741%0.408SS..SBendtrans-71.8116.4-177.600000110N187 F251 I256N187-A254 VanDerWaalsContact CB-O 3.28Å; N187-A254 WeakPolarHBondContact CB-O 3.36Å; N187-A254 PolarHBondContact ND2-O 3.43Å; F251-A254 HydrophobicContact CB-CB 4.43Å; F251-A254 HydrophobicContact CD1-CB 4.5Å; F251-A254 VanDerWaalsContact O-CB 3.25Å; F251-A254 WeakPolarHBondContact O-CB 3.4Å; F251-A254 PolarHBondContact O-N 3.21Å; A254-I256 PolarHBondContact O-N 3Å
255P88Confident83.4Confident69 Ų6972.9 Ų72.945%0.44840%0.404SS..PPolyproline II helixtrans-63.5139.5-177.1-20.231.7000111.9P188 G190 D253 P257P188-P255 CarbonylContact O-C 3.43Å; P188-P255 WeakPolarHBondContact O-CA 3.47Å; G190-P255 WeakPolarHBondContact O-CB 3.39Å; D253-P255 VanDerWaalsContact O-CD 3.25Å; D253-P255 WeakPolarHBondContact O-CD 3.34Å; P255-P257 VanDerWaalsContact O-CD 3.22Å; P255-P257 WeakPolarHBondContact O-CD 3.19Å
256I88.9Confident83.6Confident42 Ų4272.2 Ų72.222%0.21540%0.397CS..BIsolated β-bridgetrans-65.1117.8172.8-54.2-177.5000107.7N187 P188 I189 G190 A254 S258 L260 F261N187-I256 HydrophobicContact CB-CG1 4.05Å; P188-I256 PolarHBondContact O-N 2.6Å; I189-I256 HydrophobicContact CG1-CB 4.41Å; I189-I256 HydrophobicContact CG1-CD1 4.13Å; G190-I256 PolarHBondContact N-O 3.1Å; A254-I256 PolarHBondContact O-N 3Å; I256-S258 PolarHBondContact O-N 2.99Å; I256-L260 HydrophobicContact CG2-CD1 3.79Å; I256-F261 HydrophobicContact CB-CE2 4.08Å; I256-F261 HydrophobicContact CG2-CD2 4.45Å; I256-F261 HydrophobicContact CG2-CE2 3.52Å; I256-F261 HydrophobicContact CG2-CZ 4.06Å
257P91.5Very high83.8Confident59 Ų5981.2 Ų81.238%0.38343%0.427SS..PPolyproline II helixtrans-59.8135.4-175.7-27.135.6000113P255 F259 L260P255-P257 VanDerWaalsContact O-CD 3.22Å; P255-P257 WeakPolarHBondContact O-CD 3.19Å; P257-F259 HydrophobicContact CB-CD1 3.44Å; P257-F259 VanDerWaalsContact CB-CD1 3.44Å; P257-F259 HydrophobicContact CB-CE1 3.3Å; P257-F259 HydrophobicContact CB-CZ 4.32Å; P257-F259 HydrophobicContact CG-CE1 3.95Å; P257-F259 PolarHBondContact O-N 3.01Å; P257-F259 VanDerWaalsContact O-N 3.12Å; P257-L260 WeakPolarHBondContact O-CB 3.34Å; P257-L260 PolarHBondContact O-N 3.13Å; P257-L260 VanDerWaalsContact O-N 3.08Å
258S91.5Very high84.2Confident52 Ų5281.9 Ų81.936%0.36443%0.428SS..Hα-helixtrans-56.3-34-176.2-55.20000113.9G190 I256 L260 F261 T262G190-S258 WeakPolarHBondContact CA-OG 3.47Å; I256-S258 PolarHBondContact O-N 2.99Å; S258-L260 PolarHBondContact O-N 3.38Å; S258-F261 PolarHBondContact O-N 2.89Å; S258-F261 VanDerWaalsContact O-N 3.09Å; S258-T262 PolarHBondContact O-N 2.85Å; S258-T262 PolarHBondContact O-OG1 2.86Å
259F92.6Very high85.3Confident133 Ų13373.1 Ų73.158%0.58338%0.384SS*.Hα-helixtrans-61.7-25.9-178.279.3-95.9000112.9P257 F261 T262 L263P257-F259 HydrophobicContact CB-CD1 3.44Å; P257-F259 VanDerWaalsContact CB-CD1 3.44Å; P257-F259 HydrophobicContact CB-CE1 3.3Å; P257-F259 HydrophobicContact CB-CZ 4.32Å; P257-F259 HydrophobicContact CG-CE1 3.95Å; P257-F259 PolarHBondContact O-N 3.01Å; P257-F259 VanDerWaalsContact O-N 3.12Å; F259-F261 VanDerWaalsContact C-N 3.34Å; F259-T262 PolarHBondContact O-N 2.86Å; F259-L263 WeakPolarHBondContact O-CB 3.41Å; F259-L263 PolarHBondContact O-N 3.41Å
260L91.3Very high86.3Confident64 Ų6470.5 Ų70.534%0.33537%0.37SS..Hα-helixtrans-64.1-42176.4-65.9176.6000110.9I256 P257 S258 L263 L264I256-L260 HydrophobicContact CG2-CD1 3.79Å; P257-L260 WeakPolarHBondContact O-CB 3.34Å; P257-L260 PolarHBondContact O-N 3.13Å; P257-L260 VanDerWaalsContact O-N 3.08Å; S258-L260 PolarHBondContact O-N 3.38Å; L260-L263 PolarHBondContact O-N 3.27Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 VanDerWaalsContact O-CG 3.24Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 2.83Å
261F91Very high87.3Confident35 Ų3564.5 Ų64.515%0.15434%0.341CS..Hα-helixtrans-70.9-36.2176.2-66-78.8000111.7I189 I256 S258 F259 L263 L264 L265 A270 V273 L274I189-F261 HydrophobicContact CB-CE2 4.12Å; I189-F261 HydrophobicContact CB-CZ 4.43Å; I189-F261 HydrophobicContact CD1-CE1 4.34Å; I189-F261 HydrophobicContact CD1-CE2 4.22Å; I189-F261 HydrophobicContact CD1-CZ 3.67Å; I189-F261 HydrophobicContact CG1-CE2 3.87Å; I189-F261 HydrophobicContact CG1-CZ 3.75Å; I189-F261 HydrophobicContact CG2-CD2 3.68Å; I189-F261 HydrophobicContact CG2-CE2 3.24Å; I189-F261 HydrophobicContact CG2-CZ 3.83Å; I256-F261 HydrophobicContact CB-CE2 4.08Å; I256-F261 HydrophobicContact CG2-CD2 4.45Å; I256-F261 HydrophobicContact CG2-CE2 3.52Å; I256-F261 HydrophobicContact CG2-CZ 4.06Å; S258-F261 PolarHBondContact O-N 2.89Å; S258-F261 VanDerWaalsContact O-N 3.09Å; F259-F261 VanDerWaalsContact C-N 3.34Å; F261-L263 VanDerWaalsContact C-N 3.3Å; F261-L263 PolarHBondContact O-N 2.59Å; F261-L264 PolarHBondContact O-N 2.9Å; F261-L265 HydrophobicContact CD1-CD1 4.4Å; F261-L265 VanDerWaalsContact O-CB 3.3Å; F261-L265 WeakPolarHBondContact O-CB 3.35Å; F261-L265 PolarHBondContact O-N 3.36Å; F261-A270 HydrophobicContact CB-CB 4.33Å; F261-V273 HydrophobicContact CD1-CB 4.25Å; F261-V273 HydrophobicContact CD1-CG1 4.02Å; F261-V273 HydrophobicContact CD1-CG2 4.3Å; F261-V273 HydrophobicContact CE1-CG1 3.92Å; F261-V273 HydrophobicContact CG-CG1 4.44Å; F261-V273 HydrophobicContact CZ-CG1 4.26Å; F261-L274 HydrophobicContact CB-CD1 4.47Å; F261-L274 HydrophobicContact CB-CD2 4.24Å; F261-L274 HydrophobicContact CB-CG 4.31Å; F261-L274 HydrophobicContact CD2-CD2 3.96Å; F261-L274 HydrophobicContact CG-CD2 4.37Å
262T90.1Very high88.1Confident48 Ų4862.2 Ų62.229%0.29433%0.334SS..Hα-helixtrans-60.8-38.8171.2-52.70000112.3S258 F259 G266 R267S258-T262 PolarHBondContact O-N 2.85Å; S258-T262 PolarHBondContact O-OG1 2.86Å; F259-T262 PolarHBondContact O-N 2.86Å; T262-G266 CarbonylContact O-C 3.44Å; T262-G266 WeakPolarHBondContact O-CA 3.44Å; T262-G266 PolarHBondContact O-N 3.05Å; T262-R267 HydrophobicContact CG2-CB 4.47Å; T262-R267 HydrophobicContact CG2-CG 3.64Å
263L90.2Very high89Confident102 Ų10263 Ų6353%0.53434%0.338SS..Hα-helixtrans-69.8-43.1177.1-175.868000112.1F73 F259 L260 F261F73-L263 HydrophobicContact CE1-CD1 3.75Å; F73-L263 HydrophobicContact CE1-CG 4.1Å; F73-L263 HydrophobicContact CZ-CD1 4.34Å; F73-L263 HydrophobicContact CZ-CG 4.23Å; F259-L263 WeakPolarHBondContact O-CB 3.41Å; F259-L263 PolarHBondContact O-N 3.41Å; L260-L263 PolarHBondContact O-N 3.27Å; F261-L263 VanDerWaalsContact C-N 3.3Å; F261-L263 PolarHBondContact O-N 2.59Å
264L89.9Confident89.9Confident78 Ų7857.5 Ų57.541%0.40831%0.308SS..Hα-helixtrans-78.2-36.6-175.5-68.3172.8000113.5V68 L260 F261V68-L264 HydrophobicContact CG1-CB 4.18Å; V68-L264 HydrophobicContact CG1-CD2 3.95Å; V68-L264 HydrophobicContact CG2-CB 4.37Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 VanDerWaalsContact O-CG 3.24Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 2.83Å; F261-L264 PolarHBondContact O-N 2.9Å
265L89.6Confident90.4Very high11 Ų1158.9 Ų58.96%0.05831%0.309CS..Hα-helixtrans-107.2-18.8-174-63.4172000112.9V68 F261 R269 V273V68-L265 HydrophobicContact CG2-CD2 3.67Å; V68-L265 HydrophobicContact CG2-CG 4.45Å; F261-L265 HydrophobicContact CD1-CD1 4.4Å; F261-L265 VanDerWaalsContact O-CB 3.3Å; F261-L265 WeakPolarHBondContact O-CB 3.35Å; F261-L265 PolarHBondContact O-N 3.36Å; L265-R269 HydrophobicContact CB-CB 3.97Å; L265-R269 PolarHBondContact O-NE 3.02Å; L265-R269 PolarHBondContact O-NH2 3.08Å; L265-V273 HydrophobicContact CD1-CG2 3.8Å
266G89.2Confident90.7Very high19 Ų1955.9 Ų55.920%0.19629%0.291CS..  trans84.9162.3-166.300000111.7T262 D268 A270T262-G266 CarbonylContact O-C 3.44Å; T262-G266 WeakPolarHBondContact O-CA 3.44Å; T262-G266 PolarHBondContact O-N 3.05Å; G266-D268 VanDerWaalsContact C-N 3.35Å; G266-D268 PolarHBondContact O-N 3.02Å; G266-A270 VanDerWaalsContact O-CB 3.23Å; G266-A270 WeakPolarHBondContact O-CB 3.18Å; G266-A270 PolarHBondContact O-N 2.9Å
267R86.8Confident91Very high207 Ų20755.1 Ų55.178%0.78129%0.287SS*.Hα-helixtrans-57.8-45.6-176.1-71.1-178.4-178.7179.10.7112.5T262T262-R267 HydrophobicContact CG2-CB 4.47Å; T262-R267 HydrophobicContact CG2-CG 3.64Å
268D87.9Confident91.3Very high74 Ų7456.7 Ų56.740%0.39629%0.285SS..Hα-helixtrans-65.6-46.3-174.8-59-36.7000112.1F136 G266 T271F136-D268 HydrophobicContact CB-CB 3.7Å; F136-D268 HydrophobicContact CD1-CB 3.91Å; F136-D268 HydrophobicContact CD2-CB 4.1Å; F136-D268 HydrophobicContact CG-CB 3.65Å; G266-D268 VanDerWaalsContact C-N 3.35Å; G266-D268 PolarHBondContact O-N 3.02Å; D268-T271 PolarHBondContact O-OG1 3.32Å
269R92.9Very high91.6Very high1 Ų154.2 Ų54.20%0.00427%0.268CS..Hα-helixtrans-84.1-19.6-176.2-59.8-172-58.5146-2.5113.5I65 E67 Y81 I82 F136 L265 T271 L272I65-R269 WeakPolarHBondContact O-CD 3.04Å; I65-R269 PolarHBondContact O-NH1 3.05Å; E67-R269 PolarHBondContact O-NH1 3.11Å; E67-R269 PolarHBondContact O-NH2 3.23Å; Y81-R269 VanDerWaalsContact CE1-NH1 3.29Å; Y81-R269 PolarHBondContact OH-NH1 3.43Å; I82-R269 HydrophobicContact CD1-CG 4.27Å; F136-R269 HydrophobicContact CE1-CG 4.15Å; L265-R269 HydrophobicContact CB-CB 3.97Å; L265-R269 PolarHBondContact O-NE 3.02Å; L265-R269 PolarHBondContact O-NH2 3.08Å; R269-T271 PolarHBondContact O-N 3.44Å; R269-L272 HydrophobicContact CB-CD1 4.23Å; R269-L272 WeakPolarHBondContact O-CB 3.48Å; R269-L272 WeakPolarHBondContact O-CG 3.46Å; R269-L272 PolarHBondContact O-N 3.13Å
270A90.8Very high91.9Very high2 Ų249 Ų492%0.01725%0.246CC..Hα-helixtrans-59.8-28175.700000112.3F261 G266 L272 V273 L274F261-A270 HydrophobicContact CB-CB 4.33Å; G266-A270 VanDerWaalsContact O-CB 3.23Å; G266-A270 WeakPolarHBondContact O-CB 3.18Å; G266-A270 PolarHBondContact O-N 2.9Å; A270-L272 PolarHBondContact O-N 3.39Å; A270-L272 VanDerWaalsContact O-N 3.14Å; A270-V273 PolarHBondContact O-N 2.88Å; A270-L274 HydrophobicContact CB-CD1 3.84Å; A270-L274 HydrophobicContact CB-CG 4.42Å; A270-L274 WeakPolarHBondContact O-CB 3.33Å; A270-L274 WeakPolarHBondContact O-CG 3.34Å; A270-L274 PolarHBondContact O-N 2.85Å
271T90.7Very high92.2Very high30 Ų3046 Ų4618%0.18423%0.23CC..Hα-helixtrans-55.3-27.4173.263.50000113I137 D268 R269 V273 D275I137-T271 WeakPolarHBondContact CG1-OG1 3.47Å; D268-T271 PolarHBondContact O-OG1 3.32Å; R269-T271 PolarHBondContact O-N 3.44Å; T271-V273 PolarHBondContact O-N 3.02Å; T271-V273 VanDerWaalsContact O-N 3.13Å; T271-D275 WeakPolarHBondContact CA-OD2 3.49Å; T271-D275 VanDerWaalsContact CB-OD2 3.28Å; T271-D275 WeakPolarHBondContact CB-OD2 3.35Å; T271-D275 WeakPolarHBondContact CG2-OD2 3.13Å; T271-D275 WeakPolarHBondContact O-CB 3.49Å; T271-D275 PolarHBondContact O-N 3.4Å; T271-D275 VanDerWaalsContact O-N 3.13Å
272L89.9Confident92.6Very high67 Ų6749.6 Ų49.635%0.35124%0.243SC..Hα-helixtrans-60.1-22.6174.9-69.5168.9000113.9I65 I137 R269 A270I65-L272 HydrophobicContact CB-CD1 4.39Å; I65-L272 HydrophobicContact CD1-CD1 4.18Å; I65-L272 HydrophobicContact CG1-CD1 3.94Å; I65-L272 HydrophobicContact CG2-CD1 3.81Å; I137-L272 HydrophobicContact CD1-CD1 4.15Å; I137-L272 HydrophobicContact CD1-CD2 3.62Å; I137-L272 HydrophobicContact CD1-CG 3.77Å; I137-L272 HydrophobicContact CG1-CD2 3.95Å; I137-L272 HydrophobicContact CG1-CG 4.14Å; I137-L272 HydrophobicContact CG2-CD2 4.21Å; R269-L272 HydrophobicContact CB-CD1 4.23Å; R269-L272 WeakPolarHBondContact O-CB 3.48Å; R269-L272 WeakPolarHBondContact O-CG 3.46Å; R269-L272 PolarHBondContact O-N 3.13Å; A270-L272 PolarHBondContact O-N 3.39Å; A270-L272 VanDerWaalsContact O-N 3.14Å
273V89.7Confident93Very high43 Ų4349.7 Ų49.726%0.26124%0.239SC..Hα-helixtrans-119.1-37-174.4-1680000111.5I189 Q194 F261 L265 A270 T271I189-V273 HydrophobicContact CD1-CG1 3.62Å; I189-V273 HydrophobicContact CG2-CG1 3.87Å; Q194-V273 PolarHBondContact NE2-O 3.44Å; Q194-V273 VanDerWaalsContact NE2-O 3.12Å; F261-V273 HydrophobicContact CD1-CB 4.25Å; F261-V273 HydrophobicContact CD1-CG1 4.02Å; F261-V273 HydrophobicContact CD1-CG2 4.3Å; F261-V273 HydrophobicContact CE1-CG1 3.92Å; F261-V273 HydrophobicContact CG-CG1 4.44Å; F261-V273 HydrophobicContact CZ-CG1 4.26Å; L265-V273 HydrophobicContact CD1-CG2 3.8Å; A270-V273 PolarHBondContact O-N 2.88Å; T271-V273 PolarHBondContact O-N 3.02Å; T271-V273 VanDerWaalsContact O-N 3.13Å
274L92.2Very high93.4Very high30 Ų3044.8 Ų44.816%0.15721%0.213CC..Hα-helixtrans-81.3-27.4-176.2-62.4-180000112.8I189 F261 A270I189-L274 HydrophobicContact CG2-CD2 3.83Å; F261-L274 HydrophobicContact CB-CD1 4.47Å; F261-L274 HydrophobicContact CB-CD2 4.24Å; F261-L274 HydrophobicContact CB-CG 4.31Å; F261-L274 HydrophobicContact CD2-CD2 3.96Å; F261-L274 HydrophobicContact CG-CD2 4.37Å; A270-L274 HydrophobicContact CB-CD1 3.84Å; A270-L274 HydrophobicContact CB-CG 4.42Å; A270-L274 WeakPolarHBondContact O-CB 3.33Å; A270-L274 WeakPolarHBondContact O-CG 3.34Å; A270-L274 PolarHBondContact O-N 2.85Å
275D93.2Very high93.7Very high70 Ų7044.1 Ų44.137%0.37421%0.21SC..  trans-114.2171.6179.2-51.4-42000110.2P119 T271P119-D275 HydrophobicContact CB-CB 3.56Å; P119-D275 HydrophobicContact CG-CB 3.7Å; T271-D275 WeakPolarHBondContact CA-OD2 3.49Å; T271-D275 VanDerWaalsContact CB-OD2 3.28Å; T271-D275 WeakPolarHBondContact CB-OD2 3.35Å; T271-D275 WeakPolarHBondContact CG2-OD2 3.13Å; T271-D275 WeakPolarHBondContact O-CB 3.49Å; T271-D275 PolarHBondContact O-N 3.4Å; T271-D275 VanDerWaalsContact O-N 3.13Å
276G93.7Very high94.1Very high7 Ų749.5 Ų49.57%0.07224%0.238CC..  trans-176.1169178.300000114.2P119 D120 W195P119-G276 WeakPolarHBondContact CA-O 3.46Å; D120-G276 PolarHBondContact N-O 3.42Å; W195-G276 CarbonylContact O-C 3.48Å; W195-G276 WeakPolarHBondContact O-CA 3.12Å
277Q95.6Very high94.5Very high25 Ų2550.4 Ų50.412%0.11724%0.244CC..  trans-127140.2-173.1-53.987.3-1.400109.8Y117 P118 Y125 W195 S197 V279Y117-Q277 WeakPolarHBondContact O-CG 3.4Å; Y117-Q277 PolarHBondContact O-NE2 3.49Å; P118-Q277 WeakPolarHBondContact O-CG 3.46Å; Y125-Q277 HydrophobicContact CD2-CB 4.22Å; W195-Q277 VanDerWaalsContact CB-C 3.47Å; W195-Q277 PolarHBondContact O-N 2.97Å; S197-Q277 PolarHBondContact OG-O 2.94Å; Q277-V279 HydrophobicContact CB-CG2 3.69Å; Q277-V279 PolarHBondContact O-N 2.92Å
278R97.9Very high95Very high93 Ų9343 Ų4335%0.35123%0.232SC..EExtended strand (participates in β ladder)trans-88.699.9169.5-169.7178.3173-174.5-0.1109.1T124 Y125 W195 P230T124-R278 CarbonylContact C-O 3.56Å; T124-R278 WeakPolarHBondContact CA-O 3.46Å; T124-R278 HydrophobicContact CG2-CG 4.27Å; T124-R278 WeakPolarHBondContact OG1-CD 3.42Å; Y125-R278 PolarHBondContact N-O 2.89Å; W195-R278 HydrophobicContact CB-CB 4.06Å; W195-R278 HydrophobicContact CD2-CB 3.8Å; W195-R278 HydrophobicContact CD2-CG 3.93Å; W195-R278 HydrophobicContact CE3-CB 4.35Å; W195-R278 HydrophobicContact CE3-CG 4.05Å; W195-R278 HydrophobicContact CG-CB 3.64Å; W195-R278 HydrophobicContact CG-CG 4.3Å; W195-R278 HydrophobicContact CZ3-CG 4.43Å; P230-R278 HydrophobicContact CB-CG 4.29Å; P230-R278 HydrophobicContact CG-CG 3.59Å
279V98.4Very high95.5Very high0 Ų040 Ų400%022%0.216CC..EExtended strand (participates in β ladder)trans-114.5129.4-172.2-177.20000110.9V114 Y117 Y125 S197 N224 T226 Q277V114-V279 HydrophobicContact CB-CG2 4.07Å; V114-V279 HydrophobicContact CG1-CB 4.23Å; V114-V279 HydrophobicContact CG1-CG1 4.12Å; V114-V279 HydrophobicContact CG1-CG2 4.02Å; Y117-V279 HydrophobicContact CD2-CG1 4.32Å; Y117-V279 HydrophobicContact CD2-CG2 3.62Å; Y117-V279 HydrophobicContact CE2-CG1 3.77Å; Y117-V279 HydrophobicContact CE2-CG2 3.95Å; Y125-V279 WeakPolarHBondContact O-CA 3.38Å; S197-V279 WeakPolarHBondContact OG-CB 3.23Å; S197-V279 PolarHBondContact OG-N 2.79Å; N224-V279 HydrophobicContact CB-CG1 3.78Å; N224-V279 VanDerWaalsContact ND2-CG1 3.27Å; N224-V279 WeakPolarHBondContact ND2-CG1 3.3Å; T226-V279 HydrophobicContact CG2-CB 4.21Å; T226-V279 HydrophobicContact CG2-CG1 4.15Å; T226-V279 PolarHBondContact OG1-O 3.15Å; Q277-V279 HydrophobicContact CB-CG2 3.69Å; Q277-V279 PolarHBondContact O-N 2.92Å
280I98.5Very high95.7Very high23 Ų2347.4 Ų47.412%0.11825%0.251CS..  trans-108.4133.7179.3-56.1-58.6000109.8T124 Y125 N224 P230 R282 L285T124-I280 HydrophobicContact CG2-CD1 4.34Å; T124-I280 HydrophobicContact CG2-CG1 3.48Å; T124-I280 VanDerWaalsContact CG2-CG1 3.48Å; Y125-I280 PolarHBondContact O-N 3.26Å; N224-I280 PolarHBondContact ND2-O 3.48Å; P230-I280 HydrophobicContact CG-CD1 3.97Å; I280-R282 PolarHBondContact O-N 3.45Å; I280-L285 HydrophobicContact CG2-CD1 4.01Å
281P98.6Very high96.1Very high0 Ų048.7 Ų48.70%026%0.256CS..  trans-81.660.9179.536.7-38.4000111.9N224 T226 P228 K283 L284 L285 F291N224-P281 HydrophobicContact CB-CB 4.38Å; N224-P281 VanDerWaalsContact O-CB 3.28Å; N224-P281 WeakPolarHBondContact O-CB 3.4Å; T226-P281 WeakPolarHBondContact O-CG 3.43Å; P228-P281 HydrophobicContact CB-CG 4.29Å; P281-K283 VanDerWaalsContact C-N 3.32Å; P281-K283 PolarHBondContact O-N 2.75Å; P281-L284 HydrophobicContact CB-CB 4.29Å; P281-L284 HydrophobicContact CB-CD1 4.12Å; P281-L284 PolarHBondContact O-N 2.87Å; P281-L285 HydrophobicContact CG-CD1 4.18Å; P281-L285 HydrophobicContact CG-CG 4.18Å; P281-L285 WeakPolarHBondContact O-CG 3.31Å; P281-L285 PolarHBondContact O-N 3.37Å; P281-F291 HydrophobicContact CB-CZ 4.06Å; P281-F291 HydrophobicContact CG-CE2 4.12Å; P281-F291 HydrophobicContact CG-CZ 3.71Å
282R98.4Very high96.5Very high112 Ų11252.5 Ų52.542%0.42327%0.27SS..Hα-helixtrans-60.1-40.6-168.9-17665.967-169.71112D126 E127 I280 L285 N286D126-R282 HydrophobicContact CB-CB 3.8Å; E127-R282 WeakPolarHBondContact OE2-CB 3.46Å; E127-R282 PolarHBondContact OE2-N 2.75Å; E127-R282 VanDerWaalsContact OE2-N 3.13Å; I280-R282 PolarHBondContact O-N 3.45Å; R282-L285 PolarHBondContact O-N 2.84Å; R282-N286 WeakPolarHBondContact O-CB 3.46Å; R282-N286 PolarHBondContact O-N 3.37Å; R282-N286 PolarHBondContact O-OD1 2.96Å
283K98.1Very high96.8Very high49 Ų4950.3 Ų50.321%0.21326%0.257CS..Hα-helixtrans-62.6-43.4178.3-76.1-168.1-178.4176.10112.7E127 F218 S220 P222 P281 A287E127-K283 HydrophobicContact CB-CD 4.31Å; E127-K283 HydrophobicContact CB-CG 4.26Å; E127-K283 HydrophobicContact CG-CD 4.23Å; E127-K283 HydrophobicContact CG-CG 4.16Å; E127-K283 PolarHBondContact OE1-N 2.75Å; E127-K283 PolarHBondContact OE2-N 3.26Å; F218-K283 HydrophobicContact CZ-CB 4.24Å; S220-K283 PolarHBondContact O-NZ 3.02Å; P222-K283 VanDerWaalsContact O-CD 3.26Å; P222-K283 WeakPolarHBondContact O-CD 3.28Å; P222-K283 VanDerWaalsContact O-CE 3.3Å; P222-K283 WeakPolarHBondContact O-CE 3.2Å; P222-K283 PolarHBondContact O-NZ 3.04Å; P281-K283 VanDerWaalsContact C-N 3.32Å; P281-K283 PolarHBondContact O-N 2.75Å; K283-A287 VanDerWaalsContact O-CB 3.31Å; K283-A287 WeakPolarHBondContact O-CB 3.25Å; K283-A287 PolarHBondContact O-N 2.61Å
284L98.5Very high97.2Very high0 Ų049.9 Ų49.90%026%0.255CS..Hα-helixtrans-66.8-43.2178.8-70.7170.9000111.4I207 Y210 V211 F218 V223 N224 P281 A287 G288 F289 F291I207-L284 HydrophobicContact CD1-CD1 3.59Å; I207-L284 HydrophobicContact CG1-CD1 3.76Å; I207-L284 HydrophobicContact CG1-CD2 4.35Å; I207-L284 HydrophobicContact CG2-CD1 4.03Å; I207-L284 HydrophobicContact CG2-CD2 4.2Å; Y210-L284 HydrophobicContact CD1-CD2 4.4Å; V211-L284 HydrophobicContact CG1-CD2 4.48Å; F218-L284 HydrophobicContact CE2-CD2 4.28Å; F218-L284 HydrophobicContact CZ-CD2 4.22Å; V223-L284 HydrophobicContact CG1-CD1 3.95Å; V223-L284 HydrophobicContact CG1-CD2 4.11Å; V223-L284 HydrophobicContact CG1-CG 3.82Å; N224-L284 WeakPolarHBondContact O-CD1 3.38Å; P281-L284 HydrophobicContact CB-CB 4.29Å; P281-L284 HydrophobicContact CB-CD1 4.12Å; P281-L284 PolarHBondContact O-N 2.87Å; L284-A287 PolarHBondContact O-N 2.95Å; L284-G288 PolarHBondContact O-N 3.18Å; L284-F289 HydrophobicContact CB-CB 3.97Å; L284-F289 HydrophobicContact CB-CG 4.47Å; L284-F289 HydrophobicContact CD2-CB 4.17Å; L284-F289 HydrophobicContact CD2-CG 4.24Å; L284-F289 WeakPolarHBondContact O-CB 3.33Å; L284-F289 PolarHBondContact O-N 3.26Å; L284-F291 HydrophobicContact CB-CZ 4.41Å; L284-F291 HydrophobicContact CD1-CZ 4.18Å
285L98.1Very high97.4Very high63 Ų6351 Ų5133%0.3326%0.261SS..Hα-helixtrans-61.6-45.7176.3-67.8172.4000111.7P228 I280 P281 R282 A287 G288 F291P228-L285 HydrophobicContact CB-CD1 4.28Å; P228-L285 HydrophobicContact CB-CD2 4.18Å; I280-L285 HydrophobicContact CG2-CD1 4.01Å; P281-L285 HydrophobicContact CG-CD1 4.18Å; P281-L285 HydrophobicContact CG-CG 4.18Å; P281-L285 WeakPolarHBondContact O-CG 3.31Å; P281-L285 PolarHBondContact O-N 3.37Å; R282-L285 PolarHBondContact O-N 2.84Å; L285-A287 VanDerWaalsContact C-N 3.26Å; L285-A287 PolarHBondContact O-N 3.23Å; L285-G288 PolarHBondContact O-N 3.3Å; L285-F291 HydrophobicContact CD2-CD2 4.43Å; L285-F291 HydrophobicContact CD2-CE2 3.97Å
286N97.4Very high97.6Very high124 Ų12448.6 Ų48.666%0.66325%0.248SC*.Hα-helixtrans-66.3-28.9178.2-69.4-2.8000112.5R282 G288R282-N286 WeakPolarHBondContact O-CB 3.46Å; R282-N286 PolarHBondContact O-N 3.37Å; R282-N286 PolarHBondContact O-OD1 2.96Å; N286-G288 PolarHBondContact O-N 3Å
287A97.5Very high97.7Very high38 Ų3849.2 Ų49.231%0.31425%0.252SS..THydrogen-bonded Turntrans-80-3.4174.300000113.4Y210 F218 K283 L284 L285Y210-A287 HydrophobicContact CE1-CB 4.2Å; Y210-A287 PolarHBondContact OH-O 2.88Å; F218-A287 HydrophobicContact CD2-CB 3.94Å; F218-A287 HydrophobicContact CE2-CB 3.7Å; K283-A287 VanDerWaalsContact O-CB 3.31Å; K283-A287 WeakPolarHBondContact O-CB 3.25Å; K283-A287 PolarHBondContact O-N 2.61Å; L284-A287 PolarHBondContact O-N 2.95Å; L285-A287 VanDerWaalsContact C-N 3.26Å; L285-A287 PolarHBondContact O-N 3.23Å
288G97.3Very high97.7Very high52 Ų5250 Ų5054%0.53626%0.258SS..THydrogen-bonded Turntrans7526.4-178.400000113.8L284 L285 N286 E290L284-G288 PolarHBondContact O-N 3.18Å; L285-G288 PolarHBondContact O-N 3.3Å; N286-G288 PolarHBondContact O-N 3Å; G288-E290 PolarHBondContact O-N 3.11Å
289F98.2Very high97.7Very high11 Ų1145.6 Ų45.65%0.04824%0.241CC..PPolyproline II helixtrans-67.2119.3171.8-178.2-91.6000110.3R206 I207 Y210 L284 F291R206-F289 HydrophobicContact CB-CE2 4.09Å; R206-F289 HydrophobicContact CB-CZ 3.83Å; I207-F289 HydrophobicContact CB-CZ 4.5Å; I207-F289 HydrophobicContact CD1-CE1 4.2Å; I207-F289 HydrophobicContact CD1-CZ 4.4Å; I207-F289 HydrophobicContact CG1-CD1 4.27Å; I207-F289 HydrophobicContact CG1-CD2 4.48Å; I207-F289 HydrophobicContact CG1-CE1 3.68Å; I207-F289 HydrophobicContact CG1-CE2 3.91Å; I207-F289 HydrophobicContact CG1-CZ 3.48Å; I207-F289 VanDerWaalsContact CG1-CZ 3.48Å; Y210-F289 HydrophobicContact CD1-CD2 4.14Å; Y210-F289 AromaticContact CD2-CD2 3.66Å; Y210-F289 HydrophobicContact CD2-CD2 3.66Å; Y210-F289 HydrophobicContact CD2-CE2 4.27Å; Y210-F289 HydrophobicContact CE2-CD2 4.13Å; Y210-F289 AromaticContact CG-CD2 3.65Å; Y210-F289 HydrophobicContact CG-CD2 3.65Å; Y210-F289 HydrophobicContact CG-CE2 4.18Å; L284-F289 HydrophobicContact CB-CB 3.97Å; L284-F289 HydrophobicContact CB-CG 4.47Å; L284-F289 HydrophobicContact CD2-CB 4.17Å; L284-F289 HydrophobicContact CD2-CG 4.24Å; L284-F289 WeakPolarHBondContact O-CB 3.33Å; L284-F289 PolarHBondContact O-N 3.26Å; F289-F291 HydrophobicContact CD1-CD1 4.21Å; F289-F291 AromaticContact CD1-CD2 3.86Å; F289-F291 HydrophobicContact CD1-CD2 3.86Å; F289-F291 HydrophobicContact CD1-CE1 4.08Å; F289-F291 AromaticContact CD1-CE2 3.72Å; F289-F291 HydrophobicContact CD1-CE2 3.72Å; F289-F291 HydrophobicContact CD1-CG 4.1Å; F289-F291 AromaticContact CD1-CZ 3.83Å; F289-F291 HydrophobicContact CD1-CZ 3.83Å; F289-F291 AromaticContact CE1-CD1 3.82Å; F289-F291 HydrophobicContact CE1-CD1 3.82Å; F289-F291 HydrophobicContact CE1-CD2 4.24Å; F289-F291 AromaticContact CE1-CE1 3.9Å; F289-F291 HydrophobicContact CE1-CE1 3.9Å; F289-F291 HydrophobicContact CE1-CE2 4.32Å; F289-F291 HydrophobicContact CE1-CG 4Å; F289-F291 HydrophobicContact CE1-CZ 4.15Å
290E97.9Very high97.5Very high157 Ų15745.6 Ų45.673%0.73424%0.241SC*.PPolyproline II helixtrans-89.3116.4177.9-64.2-177.8171.700110.6R206 G288R206-E290 PolarHBondContact NH1-O 2.88Å; R206-E290 PolarHBondContact NH2-O 3.06Å; G288-E290 PolarHBondContact O-N 3.11Å
291F98.4Very high97.4Very high28 Ų2848.1 Ų48.112%0.12325%0.252CS..PPolyproline II helixtrans-75.9134.4176.6-69.9-94.5000111D203 I207 T226 P228 P281 L284 L285 F289 P294D203-F291 HydrophobicContact CB-CD1 4.28Å; I207-F291 HydrophobicContact CD1-CE1 4.01Å; T226-F291 WeakPolarHBondContact O-CE1 3.35Å; T226-F291 WeakPolarHBondContact O-CZ 3.46Å; P228-F291 HydrophobicContact CG-CD2 4.1Å; P228-F291 HydrophobicContact CG-CE2 4.4Å; P228-F291 HydrophobicContact CG-CG 4.41Å; P281-F291 HydrophobicContact CB-CZ 4.06Å; P281-F291 HydrophobicContact CG-CE2 4.12Å; P281-F291 HydrophobicContact CG-CZ 3.71Å; L284-F291 HydrophobicContact CB-CZ 4.41Å; L284-F291 HydrophobicContact CD1-CZ 4.18Å; L285-F291 HydrophobicContact CD2-CD2 4.43Å; L285-F291 HydrophobicContact CD2-CE2 3.97Å; F289-F291 HydrophobicContact CD1-CD1 4.21Å; F289-F291 AromaticContact CD1-CD2 3.86Å; F289-F291 HydrophobicContact CD1-CD2 3.86Å; F289-F291 HydrophobicContact CD1-CE1 4.08Å; F289-F291 AromaticContact CD1-CE2 3.72Å; F289-F291 HydrophobicContact CD1-CE2 3.72Å; F289-F291 HydrophobicContact CD1-CG 4.1Å; F289-F291 AromaticContact CD1-CZ 3.83Å; F289-F291 HydrophobicContact CD1-CZ 3.83Å; F289-F291 AromaticContact CE1-CD1 3.82Å; F289-F291 HydrophobicContact CE1-CD1 3.82Å; F289-F291 HydrophobicContact CE1-CD2 4.24Å; F289-F291 AromaticContact CE1-CE1 3.9Å; F289-F291 HydrophobicContact CE1-CE1 3.9Å; F289-F291 HydrophobicContact CE1-CE2 4.32Å; F289-F291 HydrophobicContact CE1-CG 4Å; F289-F291 HydrophobicContact CE1-CZ 4.15Å; F291-P294 HydrophobicContact CB-CB 4.14Å
292K98Very high97.2Very high110 Ų11052.1 Ų52.148%0.47827%0.274SS..SBendtrans-76.6-33.5175.8-174.5178.2172.9-165.90111.4D202 D203D202-K292 IonicContact OD2-NZ 2.75Å; D202-K292 PolarHBondContact OD2-NZ 3.09Å; D203-K292 WeakPolarHBondContact OD1-CB 3.48Å; D203-K292 PolarHBondContact OD1-N 3.12Å; D203-K292 PolarHBondContact OD2-N 3.17Å
293Y98Very high97Very high21 Ų2147.3 Ų47.38%0.08226%0.256CS..  trans-128.571.7178-52.1-80.6000110.6W198 H200 D202 D203 D295 D298 N302W198-Y293 WeakPolarHBondContact CH2-O 3.44Å; H200-Y293 HydrophobicContact CB-CD2 3.65Å; H200-Y293 HydrophobicContact CB-CG 4.04Å; H200-Y293 AromaticContact CD2-CD2 3.95Å; H200-Y293 AromaticContact CE1-CD2 3.88Å; H200-Y293 AromaticContact CE1-CE2 3.47Å; H200-Y293 VanDerWaalsContact CE1-CE2 3.47Å; H200-Y293 WeakPolarHBondContact CE1-CE2 3.49Å; H200-Y293 AromaticContact CG-CD2 3.33Å; H200-Y293 AromaticContact CG-CE2 3.77Å; H200-Y293 AromaticContact CG-CG 3.86Å; H200-Y293 AromaticContact ND1-CD2 3.29Å; H200-Y293 VanDerWaalsContact ND1-CD2 3.29Å; H200-Y293 WeakPolarHBondContact ND1-CD2 3.49Å; H200-Y293 AromaticContact ND1-CE2 3.26Å; H200-Y293 VanDerWaalsContact ND1-CE2 3.26Å; H200-Y293 WeakPolarHBondContact ND1-CE2 3.32Å; D202-Y293 HydrophobicContact CB-CD2 4.41Å; D202-Y293 HydrophobicContact CB-CE2 3.84Å; D202-Y293 WeakPolarHBondContact OD2-CE2 2.98Å; D202-Y293 PolarHBondContact OD2-OH 3.21Å; D203-Y293 PolarHBondContact OD2-N 3.42Å; Y293-D295 VanDerWaalsContact C-N 3.33Å; Y293-D298 HydrophobicContact CD1-CB 4.1Å; Y293-N302 HydrophobicContact CD1-CB 4.26Å; Y293-N302 HydrophobicContact CE1-CB 3.59Å; Y293-N302 VanDerWaalsContact OH-CG 3.27Å; Y293-N302 PolarHBondContact OH-ND2 3.43Å
294P97.4Very high96.7Very high34 Ų3446.7 Ų46.722%0.22125%0.254CS..  trans-70.1-30.5179.828.8-33.6000112.3S227 P228 F291S227-P294 PolarHBondContact OG-O 2.87Å; P228-P294 HydrophobicContact CG-CB 4.01Å; F291-P294 HydrophobicContact CB-CB 4.14Å
295D97.1Very high96.4Very high54 Ų5450 Ų5029%0.28929%0.287SS..SBendtrans-104.2144.2-177.1-68.7-88.4000112W198 K229 Y293 A297 D298 A299W198-D295 VanDerWaalsContact CH2-C 3.46Å; W198-D295 WeakPolarHBondContact CH2-O 3.41Å; K229-D295 WeakPolarHBondContact CD-OD1 3.22Å; K229-D295 WeakPolarHBondContact CE-OD1 3.43Å; K229-D295 IonicContact NZ-OD1 2.75Å; K229-D295 PolarHBondContact NZ-OD1 3.3Å; K229-D295 IonicContact NZ-OD2 3.53Å; K229-D295 PolarHBondContact NZ-OD2 3.32Å; Y293-D295 VanDerWaalsContact C-N 3.33Å; D295-A297 PolarHBondContact O-N 2.99Å; D295-D298 WeakPolarHBondContact CB-OD2 3.22Å; D295-D298 PolarHBondContact O-N 3.37Å; D295-D298 VanDerWaalsContact O-N 3.1Å; D295-A299 PolarHBondContact O-N 3.08Å
296I96.3Very high96.2Very high20 Ų2052.3 Ų52.310%0.10329%0.291CS..Hα-helixtrans-61.6-32.5-177.7-171.958.6000111.7L167 W198 V231 F236 A299 L300L167-I296 HydrophobicContact CD1-CD1 3.62Å; W198-I296 HydrophobicContact CD2-CD1 3.9Å; W198-I296 HydrophobicContact CE3-CD1 4.19Å; W198-I296 HydrophobicContact CG-CD1 4.4Å; W198-I296 HydrophobicContact CH2-CB 4.43Å; W198-I296 HydrophobicContact CH2-CD1 4.37Å; W198-I296 VanDerWaalsContact CZ2-CA 3.43Å; W198-I296 HydrophobicContact CZ2-CB 3.79Å; W198-I296 HydrophobicContact CZ2-CD1 4.1Å; W198-I296 VanDerWaalsContact CZ2-N 3.26Å; W198-I296 HydrophobicContact CZ3-CD1 4.41Å; V231-I296 HydrophobicContact CG1-CB 4.37Å; V231-I296 HydrophobicContact CG1-CG2 4.11Å; F236-I296 HydrophobicContact CD2-CD1 3.65Å; F236-I296 HydrophobicContact CD2-CG1 4.01Å; F236-I296 HydrophobicContact CE2-CD1 3.76Å; I296-A299 PolarHBondContact O-N 2.97Å; I296-L300 HydrophobicContact CD1-CD1 4.13Å; I296-L300 HydrophobicContact CD1-CD2 4.41Å; I296-L300 HydrophobicContact CD1-CG 3.99Å; I296-L300 HydrophobicContact CG1-CD1 3.77Å; I296-L300 HydrophobicContact CG1-CG 4.1Å; I296-L300 WeakPolarHBondContact O-CB 3.09Å; I296-L300 VanDerWaalsContact O-CG 3.24Å; I296-L300 WeakPolarHBondContact O-CG 3.46Å; I296-L300 PolarHBondContact O-N 2.91Å
297A96.5Very high96Very high19 Ų1951.7 Ų51.716%0.15728%0.28CS..Hα-helixtrans-62.3-43.8176.500000112.1D295 E301 R307 P308D295-A297 PolarHBondContact O-N 2.99Å; A297-E301 WeakPolarHBondContact O-CB 3.36Å; A297-E301 PolarHBondContact O-N 3.16Å; A297-R307 HydrophobicContact CB-CG 4.31Å; A297-P308 HydrophobicContact CB-CG 3.69Å
298D95.6Very high95.7Very high43 Ų4350.6 Ų50.623%0.2327%0.269CS..Hα-helixtrans-66.4-42.4178.9-55.4-33.7000110.9Y293 D295 N302 R307Y293-D298 HydrophobicContact CD1-CB 4.1Å; D295-D298 WeakPolarHBondContact CB-OD2 3.22Å; D295-D298 PolarHBondContact O-N 3.37Å; D295-D298 VanDerWaalsContact O-N 3.1Å; D298-N302 WeakPolarHBondContact O-CB 3.25Å; D298-N302 PolarHBondContact O-N 3.31Å; D298-R307 IonicContact OD1-CZ 3.66Å; D298-R307 IonicContact OD1-NH1 3.43Å; D298-R307 PolarHBondContact OD1-NH1 2.97Å; D298-R307 IonicContact OD1-NH2 2.86Å; D298-R307 PolarHBondContact OD1-NH2 3.16Å
299A96.7Very high94.9Very high0 Ų057.1 Ų57.10%028%0.278CS..Hα-helixtrans-63.6-46.3178.500000112W198 H200 D295 I296 N302 I303W198-A299 HydrophobicContact CE3-CB 4.36Å; W198-A299 HydrophobicContact CH2-CB 3.75Å; W198-A299 HydrophobicContact CZ3-CB 3.41Å; W198-A299 VanDerWaalsContact CZ3-CB 3.41Å; H200-A299 HydrophobicContact CB-CB 4.46Å; D295-A299 PolarHBondContact O-N 3.08Å; I296-A299 PolarHBondContact O-N 2.97Å; A299-N302 PolarHBondContact O-N 3.07Å; A299-I303 WeakPolarHBondContact O-CD1 3.24Å; A299-I303 VanDerWaalsContact O-CG1 3.23Å; A299-I303 WeakPolarHBondContact O-CG1 3.43Å; A299-I303 PolarHBondContact O-N 2.92Å; A299-I303 VanDerWaalsContact O-N 3.08Å
300L95Very high93.4Very high0 Ų064.6 Ų64.60%033%0.332CS..Hα-helixtrans-71.4-35.7179.7-64.8174.3000112A239 M240 S243 I296 N302 I303 F304A239-L300 HydrophobicContact CB-CD1 3.56Å; M240-L300 HydrophobicContact CE-CD2 4.5Å; S243-L300 WeakPolarHBondContact OG-CB 3.45Å; I296-L300 HydrophobicContact CD1-CD1 4.13Å; I296-L300 HydrophobicContact CD1-CD2 4.41Å; I296-L300 HydrophobicContact CD1-CG 3.99Å; I296-L300 HydrophobicContact CG1-CD1 3.77Å; I296-L300 HydrophobicContact CG1-CG 4.1Å; I296-L300 WeakPolarHBondContact O-CB 3.09Å; I296-L300 VanDerWaalsContact O-CG 3.24Å; I296-L300 WeakPolarHBondContact O-CG 3.46Å; I296-L300 PolarHBondContact O-N 2.91Å; L300-N302 VanDerWaalsContact C-N 3.34Å; L300-I303 PolarHBondContact O-N 2.98Å; L300-F304 HydrophobicContact CB-CD2 4.26Å; L300-F304 HydrophobicContact CD2-CD2 4.16Å; L300-F304 HydrophobicContact CD2-CE2 3.73Å; L300-F304 WeakPolarHBondContact O-CB 3.32Å; L300-F304 WeakPolarHBondContact O-CD2 3.24Å; L300-F304 PolarHBondContact O-N 3.44Å
301E95.8Very high93.2Very high76 Ų7660 Ų6036%0.35531%0.312SS..Hα-helixtrans-60.1-44.4171.8-178.5168.7-153.700111.2A297 I303 G305 R307A297-E301 WeakPolarHBondContact O-CB 3.36Å; A297-E301 PolarHBondContact O-N 3.16Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 2.97Å; E301-G305 WeakPolarHBondContact O-CA 3.31Å; E301-G305 PolarHBondContact O-N 3.02Å; E301-R307 HydrophobicContact CB-CB 4.2Å; E301-R307 HydrophobicContact CB-CG 4.41Å; E301-R307 HydrophobicContact CG-CB 4.16Å; E301-R307 WeakPolarHBondContact OE2-CD 3.19Å; E301-R307 WeakPolarHBondContact OE2-CG 3.28Å; E301-R307 IonicContact OE2-CZ 3.5Å; E301-R307 IonicContact OE2-NH1 3.92Å; E301-R307 PolarHBondContact OE2-NH1 3.33Å
302N95.5Very high92.9Very high84 Ų8461.7 Ų61.745%0.44932%0.322SS..Hα-helixtrans-62.1-40.6175.1-176.1-98.7000112.7H200 Y293 D298 A299 L300H200-N302 PolarHBondContact NE2-OD1 3.16Å; Y293-N302 HydrophobicContact CD1-CB 4.26Å; Y293-N302 HydrophobicContact CE1-CB 3.59Å; Y293-N302 VanDerWaalsContact OH-CG 3.27Å; Y293-N302 PolarHBondContact OH-ND2 3.43Å; D298-N302 WeakPolarHBondContact O-CB 3.25Å; D298-N302 PolarHBondContact O-N 3.31Å; A299-N302 PolarHBondContact O-N 3.07Å; L300-N302 VanDerWaalsContact C-N 3.34Å
303I94Very high92.6Very high10 Ų1059 Ų595%0.05131%0.313CS..Hα-helixtrans-74.9-37.6-175.8-70.8167.7000112.5L167 K169 I174 R178 A299 L300 E301L167-I303 HydrophobicContact CB-CD1 3.71Å; K169-I303 HydrophobicContact CB-CG2 4.28Å; I174-I303 HydrophobicContact CG2-CG2 3.97Å; R178-I303 PolarHBondContact NH2-O 3.21Å; A299-I303 WeakPolarHBondContact O-CD1 3.24Å; A299-I303 VanDerWaalsContact O-CG1 3.23Å; A299-I303 WeakPolarHBondContact O-CG1 3.43Å; A299-I303 PolarHBondContact O-N 2.92Å; A299-I303 VanDerWaalsContact O-N 3.08Å; L300-I303 PolarHBondContact O-N 2.98Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 2.97Å
304F91.5Very high92.3Very high37 Ų3761.2 Ų61.216%0.16233%0.327CS..Hα-helixtrans-114.1-9.2-171.1-61.4-63.9000114.4I174 R178 M240 L244 L300 R306I174-F304 HydrophobicContact CD1-CE2 4.25Å; I174-F304 HydrophobicContact CD1-CZ 3.8Å; I174-F304 HydrophobicContact CG2-CE1 3.66Å; I174-F304 HydrophobicContact CG2-CZ 3.64Å; R178-F304 HydrophobicContact CG-CE1 4.09Å; M240-F304 HydrophobicContact CG-CE2 4.4Å; L244-F304 HydrophobicContact CD1-CE1 4.49Å; L244-F304 HydrophobicContact CD1-CZ 4.3Å; L244-F304 HydrophobicContact CD2-CD1 3.54Å; L244-F304 HydrophobicContact CD2-CE1 3.39Å; L244-F304 HydrophobicContact CD2-CG 4.27Å; L244-F304 HydrophobicContact CD2-CZ 3.99Å; L244-F304 HydrophobicContact CG-CD1 4.17Å; L244-F304 HydrophobicContact CG-CE1 3.98Å; L244-F304 HydrophobicContact CG-CE2 4.42Å; L244-F304 HydrophobicContact CG-CG 4.49Å; L244-F304 HydrophobicContact CG-CZ 4.09Å; L300-F304 HydrophobicContact CB-CD2 4.26Å; L300-F304 HydrophobicContact CD2-CD2 4.16Å; L300-F304 HydrophobicContact CD2-CE2 3.73Å; L300-F304 WeakPolarHBondContact O-CB 3.32Å; L300-F304 WeakPolarHBondContact O-CD2 3.24Å; L300-F304 PolarHBondContact O-N 3.44Å; F304-R306 VanDerWaalsContact C-N 3.25Å; F304-R306 PolarHBondContact O-N 3.29Å
305G92.7Very high92Very high68 Ų6862.9 Ų62.970%0.70133%0.333SS*.SBendtrans75.210.6-17700000114.3E301E301-G305 WeakPolarHBondContact O-CA 3.31Å; E301-G305 PolarHBondContact O-N 3.02Å
306R92.5Very high91.6Very high112 Ų11263.5 Ų63.542%0.42334%0.336SS..  trans-141.5123.1-178.6179.4178.5179.1177.7-3.3111.1E242 S243 G245 F304E242-R306 WeakPolarHBondContact O-CD 3.5Å; E242-R306 PolarHBondContact O-NE 2.98Å; E242-R306 VanDerWaalsContact O-NE 3.16Å; S243-R306 VanDerWaalsContact CB-O 3.31Å; S243-R306 WeakPolarHBondContact CB-O 3.39Å; S243-R306 WeakPolarHBondContact O-CB 3.5Å; S243-R306 PolarHBondContact OG-O 3.1Å; G245-R306 VanDerWaalsContact CA-NH1 3.26Å; F304-R306 VanDerWaalsContact C-N 3.25Å; F304-R306 PolarHBondContact O-N 3.29Å
307R93.7Very high91.3Very high111 Ų11166.6 Ų66.642%0.41935%0.353SS..  trans-72135.6175-157.9175.2-175.980.71.9111.6A297 D298 E301A297-R307 HydrophobicContact CB-CG 4.31Å; D298-R307 IonicContact OD1-CZ 3.66Å; D298-R307 IonicContact OD1-NH1 3.43Å; D298-R307 PolarHBondContact OD1-NH1 2.97Å; D298-R307 IonicContact OD1-NH2 2.86Å; D298-R307 PolarHBondContact OD1-NH2 3.16Å; E301-R307 HydrophobicContact CB-CB 4.2Å; E301-R307 HydrophobicContact CB-CG 4.41Å; E301-R307 HydrophobicContact CG-CB 4.16Å; E301-R307 WeakPolarHBondContact OE2-CD 3.19Å; E301-R307 WeakPolarHBondContact OE2-CG 3.28Å; E301-R307 IonicContact OE2-CZ 3.5Å; E301-R307 IonicContact OE2-NH1 3.92Å; E301-R307 PolarHBondContact OE2-NH1 3.33Å
308P91.3Very high90.9Very high15 Ų1570.3 Ų70.310%0.09737%0.368CS..  trans-68.1153.4170.228.7-31.7000111.2A239 E242 S243 A297 S310A239-P308 HydrophobicContact CB-CB 3.93Å; A239-P308 HydrophobicContact CB-CG 4.04Å; E242-P308 HydrophobicContact CB-CB 4.03Å; E242-P308 WeakPolarHBondContact OE2-CA 3.29Å; E242-P308 VanDerWaalsContact OE2-CB 3.27Å; E242-P308 WeakPolarHBondContact OE2-CB 3.45Å; S243-P308 WeakPolarHBondContact OG-CD 3.39Å; A297-P308 HydrophobicContact CB-CG 3.69Å; P308-S310 PolarHBondContact O-N 3.08Å
309R81.8Confident90.5Very high189 Ų18972.6 Ų72.671%0.71338%0.379SS*.  trans-87103.7175.5-64178.4-178172.8-0106.7E242E242-R309 PolarHBondContact OE2-N 3.12Å
310S65.6Low89.9Confident169 Ų16979.2 Ų79.2100%1.18241%0.414SS*.  trans-16.90177.659.20000115.6P308P308-S310 PolarHBondContact O-N 3.08Å

Retrieved 310 of 310 residues in 554 ms (Link to these results)

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