A0A077ZCK4_TRITR Loading...

polynucleotide adenylyltransferase

AlphaFold DB , UniProt , Accession A0A077ZCK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 396 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M78.8Confident84.9Confident43 Ų4357.3 Ų57.321%0.21228%0.28CS..  0-61.40-178.4172.350.200112.6E3 V4 M5 I55 I160 L165 V188 W392M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.14Å; M1-V4 PolarHBondContact O-N 3.02Å; M1-V4 VanDerWaalsContact O-N 3.15Å; M1-M5 PolarHBondContact O-N 2.85Å; M1-I55 HydrophobicContact CB-CD1 4.14Å; M1-I55 HydrophobicContact CB-CG2 3.96Å; M1-I55 HydrophobicContact CG-CD1 4.37Å; M1-I160 HydrophobicContact SD-CG2 3.9Å; M1-L165 HydrophobicContact CE-CD2 4.46Å; M1-L165 HydrophobicContact CG-CD2 4.41Å; M1-L165 HydrophobicContact SD-CD2 4.02Å; M1-V188 HydrophobicContact CE-CB 4.21Å; M1-V188 HydrophobicContact CE-CG1 4.39Å; M1-V188 HydrophobicContact CE-CG2 3.73Å; M1-V188 HydrophobicContact SD-CG1 4.07Å; M1-V188 HydrophobicContact SD-CG2 4.31Å; M1-W392 HydrophobicContact CE-CH2 4.05Å; M1-W392 HydrophobicContact CE-CZ3 4.49Å
2H78.2Confident85.6Confident58 Ų5855 Ų5527%0.26927%0.268SS..Hα-helixtrans-55.9-43.2178.3175-99.4000112.1V4 M5 S6 I179H2-V4 PolarHBondContact O-N 2.79Å; H2-M5 PolarHBondContact O-N 3.2Å; H2-S6 PolarHBondContact NE2-OG 3.19Å; H2-S6 VanDerWaalsContact O-CB 3.3Å; H2-S6 WeakPolarHBondContact O-CB 3.44Å; H2-S6 PolarHBondContact O-N 3.18Å; H2-S6 PolarHBondContact O-OG 3.09Å; H2-I179 HydrophobicContact CB-CG2 3.67Å
3E80Confident86.2Confident156 Ų15652.2 Ų52.273%0.72926%0.262SS*.Hα-helixtrans-53.8-54.3173.5-67173.1175.800111.4M1 M5 S6 E7M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.14Å; E3-M5 VanDerWaalsContact C-N 3.29Å; E3-M5 PolarHBondContact O-N 2.88Å; E3-S6 PolarHBondContact O-N 3.09Å; E3-E7 WeakPolarHBondContact O-CB 3.4Å; E3-E7 PolarHBondContact O-N 2.9Å
4V84.3Confident86.6Confident9 Ų956.6 Ų56.66%0.05527%0.274CS..Hα-helixtrans-57.4-39.3177.5-178.40000112.5M1 H2 L24 M47 I55M1-V4 PolarHBondContact O-N 3.02Å; M1-V4 VanDerWaalsContact O-N 3.15Å; H2-V4 PolarHBondContact O-N 2.79Å; V4-L24 HydrophobicContact CG1-CD1 3.96Å; V4-L24 WeakPolarHBondContact O-CD1 3.39Å; V4-M47 HydrophobicContact CG1-CE 3.77Å; V4-M47 HydrophobicContact CG1-SD 4.14Å; V4-I55 HydrophobicContact CB-CD1 4.27Å; V4-I55 HydrophobicContact CG1-CD1 4.49Å; V4-I55 HydrophobicContact CG2-CD1 4.11Å; V4-I55 HydrophobicContact CG2-CG1 4.05Å
5M85.5Confident86.9Confident7 Ų757.9 Ų57.93%0.03431%0.308CS..Hα-helixtrans-73.4-32.5-179.1-73-63.5-63.800113.7M1 H2 E3 L24 R25 M47 L162 L166M1-M5 PolarHBondContact O-N 2.85Å; H2-M5 PolarHBondContact O-N 3.2Å; E3-M5 VanDerWaalsContact C-N 3.29Å; E3-M5 PolarHBondContact O-N 2.88Å; M5-L24 HydrophobicContact CE-CB 4.44Å; M5-L24 PolarHBondContact O-N 3.21Å; M5-L24 HydrophobicContact SD-CB 4.2Å; M5-L24 HydrophobicContact SD-CD1 4.29Å; M5-R25 HydrophobicContact CE-CB 4.33Å; M5-R25 PolarHBondContact O-N 3.04Å; M5-M47 HydrophobicContact CG-CE 4.37Å; M5-M47 HydrophobicContact SD-CE 3.61Å; M5-L162 HydrophobicContact CE-CD1 4.01Å; M5-L162 HydrophobicContact SD-CD1 3.82Å; M5-L162 HydrophobicContact SD-CD2 4.11Å; M5-L166 HydrophobicContact CE-CD2 3.94Å
6S83.5Confident87.2Confident46 Ų4665.1 Ų65.132%0.32235%0.347SS..Hα-helixtrans-97.3-20.2-175.1-62.60000113H2 E3 K8H2-S6 PolarHBondContact NE2-OG 3.19Å; H2-S6 VanDerWaalsContact O-CB 3.3Å; H2-S6 WeakPolarHBondContact O-CB 3.44Å; H2-S6 PolarHBondContact O-N 3.18Å; H2-S6 PolarHBondContact O-OG 3.09Å; E3-S6 PolarHBondContact O-N 3.09Å; S6-K8 PolarHBondContact O-N 3.02Å
7E83.7Confident87.6Confident94 Ų9465 Ų6544%0.43934%0.343SS..SBendtrans-56.9130.1175.9-174.1-178.7167.600110E3 C9 R137E3-E7 WeakPolarHBondContact O-CB 3.4Å; E3-E7 PolarHBondContact O-N 2.9Å; E7-C9 PolarHBondContact O-N 3.47Å; E7-R137 IonicContact OE1-NH1 2.61Å; E7-R137 PolarHBondContact OE1-NH1 3.42Å; E7-R137 IonicContact OE2-NH1 3.14Å
8K87.4Confident87.9Confident111 Ų11163.7 Ų63.748%0.48334%0.338SS..EExtended strand (participates in β ladder)trans-77.6116.5175.3-66.6-67.9-178.5176.40108.5S6 D26S6-K8 PolarHBondContact O-N 3.02Å; K8-D26 IonicContact NZ-OD2 3.87Å; K8-D26 PolarHBondContact NZ-OD2 3.44Å
9C87.6Confident88.3Confident19 Ų1963.5 Ų63.513%0.12834%0.34CS..EExtended strand (participates in β ladder)trans-94.4147.6171.371.40000110.5E7 I22E7-C9 PolarHBondContact O-N 3.47Å; C9-I22 PolarHBondContact N-O 3.31Å; C9-I22 PolarHBondContact O-N 2.98Å; C9-I22 PolarHBondContact SG-O 3.23Å
10Q91.2Very high88.6Confident84 Ų8460.4 Ų60.439%0.39332%0.323SS..EExtended strand (participates in β ladder)trans-95.8118.6178.8-72.7-176.6-12.300111H12 T19 L20 N133Q10-H12 PolarHBondContact O-ND1 2.87Å; Q10-T19 HydrophobicContact CB-CG2 3.74Å; Q10-T19 HydrophobicContact CG-CG2 3.97Å; Q10-L20 WeakPolarHBondContact CA-O 3.37Å; Q10-N133 VanDerWaalsContact O-CG 3.31Å; Q10-N133 PolarHBondContact O-ND2 2.93Å
11V93.6Very high88.8Confident3 Ų363.6 Ų63.62%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-99.9106.8170.2-175.30000108.7G13 T19 L20 I22 Y113 L131 N132V11-G13 PolarHBondContact O-N 3.22Å; V11-T19 WeakPolarHBondContact O-CA 3.34Å; V11-L20 HydrophobicContact CB-CB 4.2Å; V11-L20 HydrophobicContact CB-CD1 4.47Å; V11-L20 PolarHBondContact N-O 3.36Å; V11-L20 PolarHBondContact O-N 3.18Å; V11-I22 HydrophobicContact CB-CD1 4.47Å; V11-I22 HydrophobicContact CG2-CD1 4.01Å; V11-Y113 HydrophobicContact CG1-CD1 3.95Å; V11-Y113 HydrophobicContact CG1-CG 4.49Å; V11-L131 HydrophobicContact CG1-CB 3.9Å; V11-L131 HydrophobicContact CG1-CD1 4.44Å; V11-L131 HydrophobicContact CG2-CB 4.35Å; V11-L131 HydrophobicContact CG2-CD1 4.12Å; V11-N132 CarbonylContact C-O 3.48Å; V11-N132 WeakPolarHBondContact CA-O 3.33Å
12H93.1Very high89.4Confident30 Ų3061.5 Ų61.514%0.13933%0.326CS..PPolyproline II helixtrans-79.5119-170.3-70.977000111.4Q10 N132 N134Q10-H12 PolarHBondContact O-ND1 2.87Å; H12-N132 PolarHBondContact N-O 2.8Å; H12-N132 WeakPolarHBondContact O-CB 3.41Å; H12-N132 PolarHBondContact O-ND2 3.38Å; H12-N134 PolarHBondContact CD2-ND2 2.65Å; H12-N134 VanDerWaalsContact CD2-ND2 3.32Å; H12-N134 PolarHBondContact ND1-N 3.34Å
13G93.1Very high90Very high18 Ų1859 Ų5919%0.18632%0.315CS..PPolyproline II helixtrans-72.213917300000112V11V11-G13 PolarHBondContact O-N 3.22Å
14R92.3Very high90.6Very high114 Ų11451.7 Ų51.743%0.4328%0.281SS..SBendtrans-81.5148.3171.1-66.1-176.5-175.7140.4-5.3111.5N16 F17 D111 A112 V114R14-N16 PolarHBondContact O-N 3.04Å; R14-F17 PolarHBondContact O-N 3.08Å; R14-D111 WeakPolarHBondContact CD-O 3.45Å; R14-D111 PolarHBondContact NH1-O 2.76Å; R14-D111 VanDerWaalsContact NH1-O 3.14Å; R14-A112 WeakPolarHBondContact CG-O 3.47Å; R14-A112 PolarHBondContact N-O 3.43Å; R14-V114 PolarHBondContact NH1-O 2.67Å
15G91Very high90.9Very high76 Ų7654 Ų5478%0.78429%0.289SS*.THydrogen-bonded Turntrans65.7-125.9179.800000111.1
16N91.6Very high91.3Very high174 Ų17456.3 Ų56.393%0.9330%0.301SS*.THydrogen-bonded Turntrans-92.75.8-178.9-62.4-28.1000113.6R14R14-N16 PolarHBondContact O-N 3.04Å
17F93.6Very high91.8Very high63 Ų6354.1 Ų54.128%0.27629%0.286SS..PPolyproline II helixtrans-73.2135.6176.9-81.8-95.7000110.3R14 I104 A108 M109 A112 Y113R14-F17 PolarHBondContact O-N 3.08Å; F17-I104 HydrophobicContact CE1-CG2 4.13Å; F17-I104 HydrophobicContact CZ-CG2 4.46Å; F17-A108 HydrophobicContact CZ-CB 3.97Å; F17-M109 HydrophobicContact CE1-SD 4.25Å; F17-A112 HydrophobicContact CB-CB 3.87Å; F17-A112 HydrophobicContact CD1-CB 3.7Å; F17-A112 HydrophobicContact CD2-CB 3.58Å; F17-A112 HydrophobicContact CE1-CB 4.12Å; F17-A112 HydrophobicContact CE2-CB 4.02Å; F17-A112 HydrophobicContact CG-CB 3.42Å; F17-A112 VanDerWaalsContact CG-CB 3.42Å; F17-A112 HydrophobicContact CZ-CB 4.27Å; F17-Y113 HydrophobicContact CB-CE2 4.35Å; F17-Y113 AromaticContact CD1-CE2 3.77Å; F17-Y113 HydrophobicContact CD1-CE2 3.77Å; F17-Y113 HydrophobicContact CG-CE2 4.39Å
18P94.1Very high92.4Very high41 Ų4149.7 Ų49.727%0.26627%0.265SS..PPolyproline II helixtrans-68.4156.6-178.530.1-36.7000111.4L95 P96 I99 Y113P18-L95 HydrophobicContact CG-CD2 4.01Å; P18-P96 HydrophobicContact CB-CG 4.19Å; P18-P96 HydrophobicContact CG-CG 4.15Å; P18-I99 HydrophobicContact CG-CD1 3.82Å; P18-Y113 WeakPolarHBondContact CD-OH 3.27Å; P18-Y113 WeakPolarHBondContact O-CE1 3.29Å; P18-Y113 PolarHBondContact O-OH 3.28Å
19T94.5Very high92.7Very high60 Ų6046 Ų4637%0.36825%0.251SS..PPolyproline II helixtrans-68.3131.3164.8-60.70000109.5Q10 V11Q10-T19 HydrophobicContact CB-CG2 3.74Å; Q10-T19 HydrophobicContact CG-CG2 3.97Å; V11-T19 WeakPolarHBondContact O-CA 3.34Å
20L94.6Very high93.1Very high1 Ų146.2 Ų46.21%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-90.6135.3174.8-45.5176000109.2Q10 V11 I22 L91 F94 L95 Y113Q10-L20 WeakPolarHBondContact CA-O 3.37Å; V11-L20 HydrophobicContact CB-CB 4.2Å; V11-L20 HydrophobicContact CB-CD1 4.47Å; V11-L20 PolarHBondContact N-O 3.36Å; V11-L20 PolarHBondContact O-N 3.18Å; L20-I22 HydrophobicContact CB-CD1 3.72Å; L20-I22 HydrophobicContact CB-CG1 3.8Å; L20-I22 HydrophobicContact CD1-CD1 3.95Å; L20-I22 HydrophobicContact CG-CD1 4.49Å; L20-L91 HydrophobicContact CD1-CD2 4.3Å; L20-F94 HydrophobicContact CB-CB 4.37Å; L20-F94 HydrophobicContact CD1-CB 4.36Å; L20-L95 HydrophobicContact CD2-CD2 3.87Å; L20-L95 HydrophobicContact CD2-CG 4.43Å; L20-Y113 HydrophobicContact CD1-CD1 3.89Å; L20-Y113 HydrophobicContact CD1-CD2 4.29Å; L20-Y113 HydrophobicContact CD1-CE1 3.73Å; L20-Y113 HydrophobicContact CD1-CE2 4.15Å; L20-Y113 HydrophobicContact CD1-CG 4.15Å; L20-Y113 HydrophobicContact CD2-CE1 4.01Å; L20-Y113 HydrophobicContact CD2-CE2 4.46Å; L20-Y113 WeakPolarHBondContact CD2-OH 3.37Å; L20-Y113 HydrophobicContact CG-CD1 4.11Å; L20-Y113 HydrophobicContact CG-CE1 3.51Å; L20-Y113 HydrophobicContact CG-CE2 4.5Å
21E92Very high93.4Very high128 Ų12842.2 Ų42.260%0.59823%0.233SC*.EExtended strand (participates in β ladder)trans-105.4105.7172.8-64.1-165.1135.900109.6
22I92.2Very high93.5Very high0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-126.3131.5-166.9-53.4-178.7000108.9C9 V11 L20 L27 L91 F94C9-I22 PolarHBondContact N-O 3.31Å; C9-I22 PolarHBondContact O-N 2.98Å; C9-I22 PolarHBondContact SG-O 3.23Å; V11-I22 HydrophobicContact CB-CD1 4.47Å; V11-I22 HydrophobicContact CG2-CD1 4.01Å; L20-I22 HydrophobicContact CB-CD1 3.72Å; L20-I22 HydrophobicContact CB-CG1 3.8Å; L20-I22 HydrophobicContact CD1-CD1 3.95Å; L20-I22 HydrophobicContact CG-CD1 4.49Å; I22-L27 HydrophobicContact CG2-CB 3.7Å; I22-L27 HydrophobicContact CG2-CD1 4.46Å; I22-L27 HydrophobicContact CG2-CG 4.49Å; I22-L91 HydrophobicContact CD1-CD2 4.26Å; I22-F94 HydrophobicContact CB-CD1 4.35Å; I22-F94 HydrophobicContact CD1-CB 3.78Å; I22-F94 HydrophobicContact CD1-CD1 4.25Å; I22-F94 HydrophobicContact CD1-CD2 3.73Å; I22-F94 HydrophobicContact CD1-CE2 4.4Å; I22-F94 HydrophobicContact CD1-CG 3.64Å; I22-F94 HydrophobicContact CG1-CB 3.84Å; I22-F94 HydrophobicContact CG1-CD1 3.81Å; I22-F94 HydrophobicContact CG1-CD2 4.22Å; I22-F94 HydrophobicContact CG1-CE1 4.46Å; I22-F94 HydrophobicContact CG1-CG 3.68Å; I22-F94 HydrophobicContact CG2-CD1 4Å; I22-F94 HydrophobicContact CG2-CD2 4.42Å; I22-F94 HydrophobicContact CG2-CE1 3.77Å; I22-F94 HydrophobicContact CG2-CE2 4.21Å; I22-F94 HydrophobicContact CG2-CG 4.32Å; I22-F94 HydrophobicContact CG2-CZ 3.89Å
23S91.3Very high93.7Very high6 Ų645.6 Ų45.64%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-85.1149.6166.477.80000109.2R25 D26 L27S23-R25 PolarHBondContact O-N 3.3Å; S23-D26 WeakPolarHBondContact CB-OD2 3.4Å; S23-D26 PolarHBondContact O-N 3.5Å; S23-D26 WeakPolarHBondContact OG-CB 3.5Å; S23-D26 PolarHBondContact OG-N 3.26Å; S23-D26 PolarHBondContact OG-OD1 2.71Å; S23-D26 PolarHBondContact OG-OD2 3.24Å; S23-L27 PolarHBondContact O-N 3.45Å
24L91.6Very high93.8Very high1 Ų148.1 Ų48.11%0.00526%0.264CS..Hα-helixtrans-58.5-39.7177-59.6-176.3000111.4V4 M5 L27 V28 M47 I66 L139V4-L24 HydrophobicContact CG1-CD1 3.96Å; V4-L24 WeakPolarHBondContact O-CD1 3.39Å; M5-L24 HydrophobicContact CE-CB 4.44Å; M5-L24 PolarHBondContact O-N 3.21Å; M5-L24 HydrophobicContact SD-CB 4.2Å; M5-L24 HydrophobicContact SD-CD1 4.29Å; L24-L27 PolarHBondContact O-N 3.18Å; L24-V28 WeakPolarHBondContact O-CB 3.48Å; L24-V28 VanDerWaalsContact O-CG2 3.23Å; L24-V28 WeakPolarHBondContact O-CG2 3.31Å; L24-V28 PolarHBondContact O-N 2.91Å; L24-M47 HydrophobicContact CD1-CE 3.93Å; L24-I66 HydrophobicContact CD1-CD1 4.11Å; L24-I66 HydrophobicContact CD1-CG2 3.61Å; L24-I66 HydrophobicContact CD2-CD1 4.08Å; L24-I66 HydrophobicContact CD2-CG2 3.86Å; L24-I66 HydrophobicContact CG-CD1 4.49Å; L24-I66 HydrophobicContact CG-CG2 4.39Å; L24-L139 HydrophobicContact CD2-CD1 3.52Å; L24-L139 HydrophobicContact CD2-CD2 3.89Å; L24-L139 HydrophobicContact CD2-CG 4.39Å
25R91.4Very high94Very high59 Ų5942.8 Ų42.822%0.22324%0.243CC..Hα-helixtrans-57.7-51.1176.5-179.2178175.2-172.1-6.3111.8M5 S23 L27 V28 N29 L166 A169 N170M5-R25 HydrophobicContact CE-CB 4.33Å; M5-R25 PolarHBondContact O-N 3.04Å; S23-R25 PolarHBondContact O-N 3.3Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.02Å; R25-V28 PolarHBondContact O-N 3.47Å; R25-N29 WeakPolarHBondContact O-CB 3.49Å; R25-N29 PolarHBondContact O-N 3.19Å; R25-L166 HydrophobicContact CG-CD2 4.11Å; R25-A169 PolarHBondContact NH2-O 2.94Å; R25-N170 PolarHBondContact NH2-OD1 2.72Å
26D93.2Very high94.2Very high55 Ų5546.5 Ų46.529%0.29424%0.24SC..Hα-helixtrans-62.2-44.8-179.1-59.5-32.8000110.4K8 S23 V28 N29 V30 F94K8-D26 IonicContact NZ-OD2 3.87Å; K8-D26 PolarHBondContact NZ-OD2 3.44Å; S23-D26 WeakPolarHBondContact CB-OD2 3.4Å; S23-D26 PolarHBondContact O-N 3.5Å; S23-D26 WeakPolarHBondContact OG-CB 3.5Å; S23-D26 PolarHBondContact OG-N 3.26Å; S23-D26 PolarHBondContact OG-OD1 2.71Å; S23-D26 PolarHBondContact OG-OD2 3.24Å; D26-V28 PolarHBondContact O-N 3.41Å; D26-N29 PolarHBondContact O-N 3.2Å; D26-V30 VanDerWaalsContact O-CG2 3.29Å; D26-V30 WeakPolarHBondContact O-CG2 3.19Å; D26-V30 PolarHBondContact O-N 3.41Å; D26-F94 HydrophobicContact CB-CE1 3.81Å; D26-F94 HydrophobicContact CB-CZ 4.11Å
27L94.7Very high94.5Very high0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-59-50178.6-176.861.5000111.8I22 S23 L24 R25 N29 V30 V31 F94 L131 L139 L141I22-L27 HydrophobicContact CG2-CB 3.7Å; I22-L27 HydrophobicContact CG2-CD1 4.46Å; I22-L27 HydrophobicContact CG2-CG 4.49Å; S23-L27 PolarHBondContact O-N 3.45Å; L24-L27 PolarHBondContact O-N 3.18Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.02Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.44Å; L27-V30 PolarHBondContact O-N 2.85Å; L27-V31 HydrophobicContact CD1-CG2 4.03Å; L27-V31 HydrophobicContact CG-CG2 4.35Å; L27-V31 WeakPolarHBondContact O-CB 3.39Å; L27-V31 VanDerWaalsContact O-CG2 3.22Å; L27-V31 WeakPolarHBondContact O-CG2 3.16Å; L27-V31 PolarHBondContact O-N 3.43Å; L27-F94 HydrophobicContact CD1-CE2 3.88Å; L27-F94 HydrophobicContact CD1-CZ 4.49Å; L27-L131 HydrophobicContact CD2-CD1 4.3Å; L27-L139 HydrophobicContact CD2-CD2 3.31Å; L27-L139 HydrophobicContact CD2-CG 4.1Å; L27-L141 HydrophobicContact CD2-CD1 4.29Å; L27-L141 HydrophobicContact CD2-CD2 4.11Å; L27-L141 HydrophobicContact CD2-CG 4.48Å; L27-L141 HydrophobicContact CG-CD2 4.33Å
28V95.3Very high94.6Very high0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-61.2-45.2-178.9173.10000110.4L24 R25 D26 V31 L32 V45 L68 F70 L166L24-V28 WeakPolarHBondContact O-CB 3.48Å; L24-V28 VanDerWaalsContact O-CG2 3.23Å; L24-V28 WeakPolarHBondContact O-CG2 3.31Å; L24-V28 PolarHBondContact O-N 2.91Å; R25-V28 PolarHBondContact O-N 3.47Å; D26-V28 PolarHBondContact O-N 3.41Å; V28-V31 PolarHBondContact O-N 2.84Å; V28-L32 HydrophobicContact CG1-CD1 3.75Å; V28-L32 HydrophobicContact CG1-CG 4.14Å; V28-L32 WeakPolarHBondContact O-CB 3.35Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 2.93Å; V28-V45 HydrophobicContact CG1-CB 4.49Å; V28-V45 HydrophobicContact CG1-CG1 3.98Å; V28-V45 HydrophobicContact CG1-CG2 4.25Å; V28-V45 HydrophobicContact CG2-CG1 4.48Å; V28-L68 HydrophobicContact CG2-CD1 3.64Å; V28-F70 HydrophobicContact CG1-CE1 4.15Å; V28-F70 HydrophobicContact CG1-CZ 4.43Å; V28-F70 HydrophobicContact CG2-CZ 4.13Å; V28-L166 HydrophobicContact CB-CD1 4.43Å; V28-L166 HydrophobicContact CG1-CD1 3.47Å; V28-L166 VanDerWaalsContact CG1-CD1 3.47Å; V28-L166 HydrophobicContact CG1-CD2 4.49Å
29N94.9Very high94.6Very high35 Ų3550.8 Ų50.819%0.18726%0.263CS..Hα-helixtrans-60.5-48.3178.8-79.4-18.4000112.1R25 D26 L27 V31 L32 A33 N170R25-N29 WeakPolarHBondContact O-CB 3.49Å; R25-N29 PolarHBondContact O-N 3.19Å; D26-N29 PolarHBondContact O-N 3.2Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.44Å; N29-V31 PolarHBondContact O-N 3.3Å; N29-L32 PolarHBondContact O-N 3.27Å; N29-A33 WeakPolarHBondContact O-CB 3.42Å; N29-A33 PolarHBondContact O-N 3.4Å; N29-N170 PolarHBondContact ND2-ND2 3.05Å; N29-N170 PolarHBondContact ND2-OD1 3.43Å; N29-N170 PolarHBondContact OD1-ND2 3.33Å
30V95.9Very high94.7Very high23 Ų2348.2 Ų48.214%0.13925%0.247CC..Hα-helixtrans-64.5-41179.5174.40000111.2D26 L27 R34 E93 F94D26-V30 VanDerWaalsContact O-CG2 3.29Å; D26-V30 WeakPolarHBondContact O-CG2 3.19Å; D26-V30 PolarHBondContact O-N 3.41Å; L27-V30 PolarHBondContact O-N 2.85Å; V30-R34 WeakPolarHBondContact O-CG 3.42Å; V30-R34 PolarHBondContact O-N 3.26Å; V30-E93 HydrophobicContact CG1-CB 4.48Å; V30-E93 VanDerWaalsContact CG1-CD 3.43Å; V30-E93 HydrophobicContact CG1-CG 4.32Å; V30-E93 WeakPolarHBondContact CG1-OE1 3.36Å; V30-E93 WeakPolarHBondContact CG1-OE2 3.42Å; V30-F94 HydrophobicContact CB-CE2 4.31Å; V30-F94 HydrophobicContact CB-CZ 4.19Å; V30-F94 HydrophobicContact CG1-CE2 4.4Å; V30-F94 HydrophobicContact CG2-CE2 4.36Å; V30-F94 HydrophobicContact CG2-CZ 3.85Å
31V97.2Very high94.7Very high0 Ų051.8 Ų51.80%027%0.272CS..Hα-helixtrans-64.9-47.5176.81700000110.8L27 V28 N29 A33 R34 L35 F70 V87 S90 L141 F143L27-V31 HydrophobicContact CD1-CG2 4.03Å; L27-V31 HydrophobicContact CG-CG2 4.35Å; L27-V31 WeakPolarHBondContact O-CB 3.39Å; L27-V31 VanDerWaalsContact O-CG2 3.22Å; L27-V31 WeakPolarHBondContact O-CG2 3.16Å; L27-V31 PolarHBondContact O-N 3.43Å; V28-V31 PolarHBondContact O-N 2.84Å; N29-V31 PolarHBondContact O-N 3.3Å; V31-A33 PolarHBondContact O-N 2.64Å; V31-R34 PolarHBondContact O-N 2.79Å; V31-L35 HydrophobicContact CG1-CD1 3.63Å; V31-L35 HydrophobicContact CG1-CG 4.24Å; V31-L35 WeakPolarHBondContact O-CB 3.34Å; V31-L35 VanDerWaalsContact O-CG 3.22Å; V31-L35 WeakPolarHBondContact O-CG 3.22Å; V31-L35 PolarHBondContact O-N 3.48Å; V31-F70 HydrophobicContact CB-CE1 4.44Å; V31-F70 HydrophobicContact CG1-CE1 3.91Å; V31-F70 HydrophobicContact CG1-CZ 4.1Å; V31-V87 HydrophobicContact CG1-CG2 4.28Å; V31-V87 HydrophobicContact CG2-CG2 4.45Å; V31-S90 WeakPolarHBondContact CA-OG 3.4Å; V31-S90 WeakPolarHBondContact CG2-OG 3.32Å; V31-L141 HydrophobicContact CG2-CD2 4.04Å; V31-F143 HydrophobicContact CG1-CE1 4.22Å; V31-F143 HydrophobicContact CG1-CZ 4.17Å
32L96.8Very high94.9Very high44 Ų4447.3 Ų47.323%0.2325%0.253CS..Hα-helixtrans-59.9-46.7178.4-76.7176.1000112.1V28 N29 R34 L35 Q36 V42 V45 F70V28-L32 HydrophobicContact CG1-CD1 3.75Å; V28-L32 HydrophobicContact CG1-CG 4.14Å; V28-L32 WeakPolarHBondContact O-CB 3.35Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 2.93Å; N29-L32 PolarHBondContact O-N 3.27Å; L32-R34 VanDerWaalsContact C-N 3.3Å; L32-R34 PolarHBondContact O-N 2.91Å; L32-L35 PolarHBondContact O-N 3.42Å; L32-Q36 WeakPolarHBondContact O-CB 3.49Å; L32-Q36 PolarHBondContact O-N 3.22Å; L32-V42 HydrophobicContact CD2-CB 3.91Å; L32-V42 HydrophobicContact CD2-CG1 3.79Å; L32-V42 HydrophobicContact CD2-CG2 4.19Å; L32-V45 HydrophobicContact CD1-CG2 3.94Å; L32-V45 HydrophobicContact CD2-CG2 3.79Å; L32-V45 HydrophobicContact CG-CG2 4.21Å; L32-F70 HydrophobicContact CD2-CD1 4.13Å; L32-F70 HydrophobicContact CD2-CE1 4.28Å; L32-F70 HydrophobicContact CG-CE1 4.31Å
33A95.6Very high95.1Very high59 Ų5955.2 Ų55.249%0.48828%0.283SS..Hα-helixtrans-58.8-42.2179.100000111.9N29 V31 H37N29-A33 WeakPolarHBondContact O-CB 3.42Å; N29-A33 PolarHBondContact O-N 3.4Å; V31-A33 PolarHBondContact O-N 2.64Å; A33-H37 WeakPolarHBondContact O-CB 3.39Å; A33-H37 PolarHBondContact O-N 3.33Å
34R96.4Very high95.3Very high72 Ų7258.2 Ų58.227%0.27230%0.296SS..Hα-helixtrans-69.8-41.2177.5-73-176.7179.1-91.611.7113V30 V31 L32 Q36 H37 C38 C86 D89 S90 E93V30-R34 WeakPolarHBondContact O-CG 3.42Å; V30-R34 PolarHBondContact O-N 3.26Å; V31-R34 PolarHBondContact O-N 2.79Å; L32-R34 VanDerWaalsContact C-N 3.3Å; L32-R34 PolarHBondContact O-N 2.91Å; R34-Q36 VanDerWaalsContact C-N 3.32Å; R34-Q36 PolarHBondContact O-N 3.48Å; R34-H37 PolarHBondContact O-N 3.05Å; R34-C38 PolarHBondContact O-N 2.97Å; R34-C38 PolarHBondContact O-SG 3.33Å; R34-C86 HydrophobicContact CB-CB 4.11Å; R34-C86 WeakPolarHBondContact CD-O 3.43Å; R34-D89 VanDerWaalsContact CZ-O 3.23Å; R34-D89 PolarHBondContact NE-O 3.32Å; R34-D89 PolarHBondContact NH2-O 3.47Å; R34-S90 WeakPolarHBondContact CD-OG 3.3Å; R34-E93 IonicContact CZ-OE1 3.4Å; R34-E93 IonicContact NE-OE1 3Å; R34-E93 PolarHBondContact NE-OE1 2.81Å; R34-E93 IonicContact NH2-OE1 2.65Å; R34-E93 PolarHBondContact NH2-OE1 3.46Å
35L97.1Very high95.5Very high1 Ų158.2 Ų58.21%0.00530%0.296CS..Hα-helixtrans-61.9-43.2176.3-70.6171.3000111.3V31 L32 H37 C38 D39 V40 V42 I83 C86 F143V31-L35 HydrophobicContact CG1-CD1 3.63Å; V31-L35 HydrophobicContact CG1-CG 4.24Å; V31-L35 WeakPolarHBondContact O-CB 3.34Å; V31-L35 VanDerWaalsContact O-CG 3.22Å; V31-L35 WeakPolarHBondContact O-CG 3.22Å; V31-L35 PolarHBondContact O-N 3.48Å; L32-L35 PolarHBondContact O-N 3.42Å; L35-H37 PolarHBondContact O-N 3.32Å; L35-C38 CarbonylContact O-C 3.53Å; L35-C38 PolarHBondContact O-N 3.35Å; L35-D39 PolarHBondContact O-N 3.42Å; L35-V40 HydrophobicContact CB-CB 4.15Å; L35-V40 HydrophobicContact CD2-CB 3.99Å; L35-V40 HydrophobicContact CD2-CG1 4.03Å; L35-V40 HydrophobicContact CD2-CG2 4.27Å; L35-V40 PolarHBondContact O-N 3.43Å; L35-V42 HydrophobicContact CB-CG2 4.27Å; L35-V42 HydrophobicContact CD1-CG2 3.69Å; L35-I83 HydrophobicContact CD2-CB 4.28Å; L35-I83 HydrophobicContact CD2-CG1 3.61Å; L35-C86 HydrophobicContact CD2-CB 3.78Å; L35-C86 HydrophobicContact CG-CB 4.28Å; L35-F143 HydrophobicContact CD1-CD1 4.37Å; L35-F143 HydrophobicContact CD1-CE1 3.73Å
36Q95.2Very high95.7Very high154 Ų15456.1 Ų56.172%0.7229%0.289SS*.Hα-helixtrans-61.5-43.3174.9-174.6178.72.200111.7L32 R34 C38 D39L32-Q36 WeakPolarHBondContact O-CB 3.49Å; L32-Q36 PolarHBondContact O-N 3.22Å; R34-Q36 VanDerWaalsContact C-N 3.32Å; R34-Q36 PolarHBondContact O-N 3.48Å; Q36-C38 PolarHBondContact O-N 3.43Å; Q36-D39 PolarHBondContact O-N 3.3Å
37H96.1Very high95.8Very high162 Ų16253.5 Ų53.575%0.7528%0.275SS*.Hα-helixtrans-63.6-27.2176.7-174.369.5000113.4A33 R34 L35A33-H37 WeakPolarHBondContact O-CB 3.39Å; A33-H37 PolarHBondContact O-N 3.33Å; R34-H37 PolarHBondContact O-N 3.05Å; L35-H37 PolarHBondContact O-N 3.32Å
38C95.8Very high95.7Very high58 Ų5854.1 Ų54.139%0.39228%0.278SS..THydrogen-bonded Turntrans-9819.4178.6-63.60000113.7R34 L35 Q36 V40 T82 C86R34-C38 PolarHBondContact O-N 2.97Å; R34-C38 PolarHBondContact O-SG 3.33Å; L35-C38 CarbonylContact O-C 3.53Å; L35-C38 PolarHBondContact O-N 3.35Å; Q36-C38 PolarHBondContact O-N 3.43Å; C38-V40 PolarHBondContact O-N 2.91Å; C38-T82 HydrophobicContact CB-CG2 3.54Å; C38-C86 VanDerWaalsContact SG-SG 3.63Å
39D94.9Very high95.3Very high149 Ų14954.4 Ų54.480%0.79728%0.281SS*.THydrogen-bonded Turntrans56.230.9179.5-60.5-47.5000114.2L35 Q36L35-D39 PolarHBondContact O-N 3.42Å; Q36-D39 PolarHBondContact O-N 3.3Å
40V95.6Very high94.9Very high6 Ų654.2 Ų54.24%0.03629%0.287CS..  trans-95.8107.3171-1780000108.8L35 C38 V42 T82 I83L35-V40 HydrophobicContact CB-CB 4.15Å; L35-V40 HydrophobicContact CD2-CB 3.99Å; L35-V40 HydrophobicContact CD2-CG1 4.03Å; L35-V40 HydrophobicContact CD2-CG2 4.27Å; L35-V40 PolarHBondContact O-N 3.43Å; C38-V40 PolarHBondContact O-N 2.91Å; V40-V42 PolarHBondContact O-N 3.48Å; V40-T82 HydrophobicContact CG2-CG2 3.63Å; V40-I83 HydrophobicContact CG1-CD1 4Å; V40-I83 HydrophobicContact CG1-CG1 3.91Å; V40-I83 HydrophobicContact CG2-CG1 4.42Å
41S95.4Very high94.7Very high75 Ų7553.1 Ų53.152%0.52428%0.281SS..  trans-70.1123.5177-174.80000111A72 D73S41-A72 VanDerWaalsContact O-CA 3.32Å; S41-A72 WeakPolarHBondContact O-CA 3.44Å; S41-D73 PolarHBondContact O-N 3.07Å
42V96.9Very high94.5Very high34 Ų3453.1 Ų53.121%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-114.6116.5169-177.40000108.1L32 L35 V40 E44 V45 F70 V71 A72L32-V42 HydrophobicContact CD2-CB 3.91Å; L32-V42 HydrophobicContact CD2-CG1 3.79Å; L32-V42 HydrophobicContact CD2-CG2 4.19Å; L35-V42 HydrophobicContact CB-CG2 4.27Å; L35-V42 HydrophobicContact CD1-CG2 3.69Å; V40-V42 PolarHBondContact O-N 3.48Å; V42-E44 WeakPolarHBondContact CG1-O 3.24Å; V42-V45 HydrophobicContact CG1-CG2 4.22Å; V42-F70 HydrophobicContact CG1-CB 4.16Å; V42-F70 HydrophobicContact CG1-CD1 4.31Å; V42-V71 CarbonylContact C-O 3.46Å; V42-V71 WeakPolarHBondContact CA-O 3.42Å; V42-A72 HydrophobicContact CG2-CB 4.18Å
43R95.1Very high94.2Very high167 Ų16751.4 Ų51.463%0.6327%0.272SS*.EExtended strand (participates in β ladder)trans-79.4-42-178-63.8-172.9-63.7-147.8-2.6112.3V71R43-V71 HydrophobicContact CB-CG1 4.35Å; R43-V71 PolarHBondContact N-O 3.4Å
44E95.2Very high94Very high68 Ų6851 Ų5132%0.31826%0.26SS..EExtended strand (participates in β ladder)trans-146.4151.3-175.1-62-175.3142.900110.6V42 K46 V71 H161 T163V42-E44 WeakPolarHBondContact CG1-O 3.24Å; E44-K46 WeakPolarHBondContact OE2-CE 3.37Å; E44-K46 IonicContact OE2-NZ 3.95Å; E44-K46 PolarHBondContact OE2-NZ 3.4Å; E44-V71 HydrophobicContact CB-CB 4.15Å; E44-V71 HydrophobicContact CB-CG2 3.98Å; E44-V71 PolarHBondContact O-N 3.25Å; E44-H161 IonicContact OE1-CE1 3.95Å; E44-H161 IonicContact OE1-ND1 2.67Å; E44-H161 PolarHBondContact OE1-ND1 3.35Å; E44-H161 IonicContact OE2-CE1 2.65Å; E44-H161 IonicContact OE2-ND1 3.45Å; E44-T163 WeakPolarHBondContact CA-OG1 3.45Å
45V96.7Very high93.7Very high1 Ų148.4 Ų48.41%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-117.8133.5164.6-173.60000108.6V28 L32 V42 I69 F70 L162 T163V28-V45 HydrophobicContact CG1-CB 4.49Å; V28-V45 HydrophobicContact CG1-CG1 3.98Å; V28-V45 HydrophobicContact CG1-CG2 4.25Å; V28-V45 HydrophobicContact CG2-CG1 4.48Å; L32-V45 HydrophobicContact CD1-CG2 3.94Å; L32-V45 HydrophobicContact CD2-CG2 3.79Å; L32-V45 HydrophobicContact CG-CG2 4.21Å; V42-V45 HydrophobicContact CG1-CG2 4.22Å; V45-I69 CarbonylContact C-O 3.53Å; V45-I69 VanDerWaalsContact CA-O 3.29Å; V45-I69 WeakPolarHBondContact CA-O 3.46Å; V45-F70 HydrophobicContact CG1-CD1 4.29Å; V45-F70 HydrophobicContact CG1-CE1 4.15Å; V45-F70 HydrophobicContact CG1-CZ 4.39Å; V45-F70 HydrophobicContact CG2-CD1 3.72Å; V45-F70 HydrophobicContact CG2-CE1 3.97Å; V45-L162 HydrophobicContact CG1-CD1 4.3Å; V45-L162 PolarHBondContact O-N 3.16Å; V45-T163 PolarHBondContact N-OG1 2.95Å
46K96.1Very high93.4Very high16 Ų1648.5 Ų48.57%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-131.2147.1-178.8-48-178.7-176.5-1700111.2E44 L68 I69 Q159 I160 H161 E191E44-K46 WeakPolarHBondContact OE2-CE 3.37Å; E44-K46 IonicContact OE2-NZ 3.95Å; E44-K46 PolarHBondContact OE2-NZ 3.4Å; K46-L68 CarbonylContact O-C 3.57Å; K46-L68 WeakPolarHBondContact O-CA 3.35Å; K46-I69 HydrophobicContact CB-CB 4.3Å; K46-I69 PolarHBondContact N-O 2.82Å; K46-I69 PolarHBondContact O-N 2.94Å; K46-Q159 HydrophobicContact CB-CB 4.4Å; K46-Q159 HydrophobicContact CD-CB 4.06Å; K46-I160 CarbonylContact C-O 3.52Å; K46-I160 WeakPolarHBondContact CA-O 3.24Å; K46-H161 WeakPolarHBondContact CE-CE1 3.09Å; K46-H161 PolarHBondContact NZ-CE1 3.29Å; K46-E191 IonicContact NZ-OE1 3.02Å; K46-E191 PolarHBondContact NZ-OE1 3.21Å
47M94.6Very high93Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-94.4134.5164.3-175.7179.2-67.800109.1V4 M5 L24 A51 I55 D67 Q159 I160 L162V4-M47 HydrophobicContact CG1-CE 3.77Å; V4-M47 HydrophobicContact CG1-SD 4.14Å; M5-M47 HydrophobicContact CG-CE 4.37Å; M5-M47 HydrophobicContact SD-CE 3.61Å; L24-M47 HydrophobicContact CD1-CE 3.93Å; M47-A51 HydrophobicContact CG-CB 4.17Å; M47-A51 HydrophobicContact SD-CB 3.82Å; M47-I55 HydrophobicContact CE-CD1 4.41Å; M47-I55 HydrophobicContact SD-CD1 3.47Å; M47-I55 WeakPolarHBondContact SD-CD1 3.26Å; M47-D67 WeakPolarHBondContact CA-O 3.29Å; M47-Q159 CarbonylContact O-C 3.58Å; M47-Q159 VanDerWaalsContact O-CA 3.3Å; M47-Q159 WeakPolarHBondContact O-CA 3.47Å; M47-I160 HydrophobicContact CB-CB 4.32Å; M47-I160 PolarHBondContact N-O 3.46Å; M47-I160 PolarHBondContact O-N 3.38Å; M47-L162 HydrophobicContact CB-CD1 4.12Å; M47-L162 HydrophobicContact CB-CD2 4.4Å; M47-L162 HydrophobicContact CB-CG 4.4Å
48N92.5Very high92.4Very high13 Ų1338.9 Ų38.97%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-126.7177.7-177.2-168.932.1000111.2D67 I69 F158 Q159N48-D67 HydrophobicContact CB-CB 4.01Å; N48-D67 PolarHBondContact N-O 2.97Å; N48-I69 HydrophobicContact CB-CD1 3.69Å; N48-I69 HydrophobicContact CB-CG1 4.11Å; N48-F158 PolarHBondContact OD1-O 3.25Å; N48-Q159 HydrophobicContact CB-CG 4.43Å
49G86.5Confident91.8Very high5 Ų538.3 Ų38.35%0.05222%0.219CC..Hα-helixtrans72.7-150.9165.300000113.5A51 A52 S53G49-A51 VanDerWaalsContact C-N 3.26Å; G49-A51 PolarHBondContact O-N 2.92Å; G49-A52 PolarHBondContact O-N 2.96Å; G49-A52 VanDerWaalsContact O-N 3.17Å; G49-S53 PolarHBondContact O-N 2.95Å; G49-S53 VanDerWaalsContact O-N 3.15Å; G49-S53 PolarHBondContact O-OG 3.31Å
50G88Confident91.2Very high32 Ų3238.2 Ų38.233%0.3322%0.219SC..Hα-helixtrans-59.8-35.2-174.200000113.3S53 H54G50-S53 PolarHBondContact O-N 3.18Å; G50-H54 VanDerWaalsContact O-CB 3.32Å; G50-H54 WeakPolarHBondContact O-CB 3.43Å; G50-H54 PolarHBondContact O-N 3.26Å
51A90.2Very high90.5Very high0 Ų039 Ų390%022%0.223CC..Hα-helixtrans-64.2-42177.600000112.2M47 G49 H54 I55 F63 I66M47-A51 HydrophobicContact CG-CB 4.17Å; M47-A51 HydrophobicContact SD-CB 3.82Å; G49-A51 VanDerWaalsContact C-N 3.26Å; G49-A51 PolarHBondContact O-N 2.92Å; A51-H54 PolarHBondContact O-N 3.44Å; A51-I55 VanDerWaalsContact O-CG1 3.31Å; A51-I55 WeakPolarHBondContact O-CG1 3.48Å; A51-I55 PolarHBondContact O-N 3.37Å; A51-F63 HydrophobicContact CB-CD2 3.91Å; A51-F63 HydrophobicContact CB-CE2 4.12Å; A51-F63 HydrophobicContact CB-CG 4.28Å; A51-I66 HydrophobicContact CB-CG1 4.45Å
52A92.8Very high89.8Confident0 Ų040.2 Ų40.20%023%0.229CC..Hα-helixtrans-64.4-44.3175.300000111.4G49 H54 I55 L56 F158 I160G49-A52 PolarHBondContact O-N 2.96Å; G49-A52 VanDerWaalsContact O-N 3.17Å; A52-H54 PolarHBondContact O-N 2.89Å; A52-I55 PolarHBondContact O-N 3.49Å; A52-L56 WeakPolarHBondContact O-CG 3.42Å; A52-L56 PolarHBondContact O-N 2.92Å; A52-L56 VanDerWaalsContact O-N 3.15Å; A52-F158 HydrophobicContact CB-CB 4.1Å; A52-F158 WeakPolarHBondContact CB-O 3.22Å; A52-I160 HydrophobicContact CB-CD1 4.01Å; A52-I160 HydrophobicContact CB-CG1 4.11Å
53S92.2Very high89.1Confident8 Ų839.4 Ų39.46%0.05622%0.223CC..Hα-helixtrans-64-38.9176.6-55.10000112.6G49 G50 L56 S57 V155G49-S53 PolarHBondContact O-N 2.95Å; G49-S53 VanDerWaalsContact O-N 3.15Å; G49-S53 PolarHBondContact O-OG 3.31Å; G50-S53 PolarHBondContact O-N 3.18Å; S53-L56 PolarHBondContact O-N 2.87Å; S53-S57 WeakPolarHBondContact O-CB 3.25Å; S53-S57 PolarHBondContact O-N 2.94Å; S53-V155 WeakPolarHBondContact CB-O 3.18Å; S53-V155 PolarHBondContact OG-O 3.17Å
54H90.5Very high88.3Confident49 Ų4932.9 Ų32.923%0.22720%0.2CC..Hα-helixtrans-60.1-45174169.284.9000111.5G50 A51 A52 L56 D60 L61 F63G50-H54 VanDerWaalsContact O-CB 3.32Å; G50-H54 WeakPolarHBondContact O-CB 3.43Å; G50-H54 PolarHBondContact O-N 3.26Å; A51-H54 PolarHBondContact O-N 3.44Å; A52-H54 PolarHBondContact O-N 2.89Å; H54-L56 VanDerWaalsContact C-N 3.27Å; H54-L56 PolarHBondContact O-N 3.36Å; H54-D60 IonicContact CE1-OD1 3.87Å; H54-D60 PolarHBondContact CE1-OD1 3.48Å; H54-D60 VanDerWaalsContact CE1-OD1 3.26Å; H54-D60 IonicContact ND1-OD1 3.28Å; H54-L61 PolarHBondContact ND1-O 3.32Å; H54-F63 HydrophobicContact CB-CD1 3.6Å; H54-F63 HydrophobicContact CB-CE1 4.17Å; H54-F63 HydrophobicContact CB-CG 4.44Å; H54-F63 AromaticContact CD2-CD1 3.97Å; H54-F63 AromaticContact CD2-CE1 3.64Å; H54-F63 AromaticContact CG-CD1 3.58Å; H54-F63 AromaticContact CG-CE1 3.74Å; H54-F63 AromaticContact ND1-CD1 3.99Å
55I90.4Very high87.7Confident18 Ų1831.3 Ų31.39%0.09219%0.194CC..Hα-helixtrans-63.3-32.5178-70.8166.9000112.4M1 V4 M47 A51 A52 I160 W392M1-I55 HydrophobicContact CB-CD1 4.14Å; M1-I55 HydrophobicContact CB-CG2 3.96Å; M1-I55 HydrophobicContact CG-CD1 4.37Å; V4-I55 HydrophobicContact CB-CD1 4.27Å; V4-I55 HydrophobicContact CG1-CD1 4.49Å; V4-I55 HydrophobicContact CG2-CD1 4.11Å; V4-I55 HydrophobicContact CG2-CG1 4.05Å; M47-I55 HydrophobicContact CE-CD1 4.41Å; M47-I55 HydrophobicContact SD-CD1 3.47Å; M47-I55 WeakPolarHBondContact SD-CD1 3.26Å; A51-I55 VanDerWaalsContact O-CG1 3.31Å; A51-I55 WeakPolarHBondContact O-CG1 3.48Å; A51-I55 PolarHBondContact O-N 3.37Å; A52-I55 PolarHBondContact O-N 3.49Å; I55-I160 HydrophobicContact CB-CD1 3.92Å; I55-I160 HydrophobicContact CD1-CD1 3.8Å; I55-I160 HydrophobicContact CG1-CD1 4.47Å; I55-I160 HydrophobicContact CG2-CD1 3.74Å; I55-W392 HydrophobicContact CG2-CH2 4.15Å; I55-W392 HydrophobicContact CG2-CZ2 3.6Å; I55-W392 PolarHBondContact O-NE1 3.03Å
56L90.5Very high87.4Confident3 Ų331.8 Ų31.82%0.01620%0.197CC..Hα-helixtrans-91.6-26.8-175.3-66.7169.3000113.9A52 S53 H54 F158 V190 Y201 L204 L383 W392A52-L56 WeakPolarHBondContact O-CG 3.42Å; A52-L56 PolarHBondContact O-N 2.92Å; A52-L56 VanDerWaalsContact O-N 3.15Å; S53-L56 PolarHBondContact O-N 2.87Å; H54-L56 VanDerWaalsContact C-N 3.27Å; H54-L56 PolarHBondContact O-N 3.36Å; L56-F158 HydrophobicContact CD1-CB 3.51Å; L56-F158 HydrophobicContact CD1-CD1 3.49Å; L56-F158 VanDerWaalsContact CD1-CD1 3.49Å; L56-F158 HydrophobicContact CD1-CD2 4.07Å; L56-F158 HydrophobicContact CD1-CE1 4.18Å; L56-F158 HydrophobicContact CD1-CG 3.41Å; L56-F158 VanDerWaalsContact CD1-CG 3.41Å; L56-V190 HydrophobicContact CD1-CG1 3.78Å; L56-V190 HydrophobicContact CD2-CG1 4.11Å; L56-V190 HydrophobicContact CD2-CG2 4.42Å; L56-Y201 WeakPolarHBondContact O-CE2 3.27Å; L56-L204 HydrophobicContact CB-CD2 4.13Å; L56-L383 HydrophobicContact CD2-CD1 4.35Å; L56-W392 HydrophobicContact CD2-CD2 4.32Å; L56-W392 HydrophobicContact CD2-CG 4.48Å; L56-W392 HydrophobicContact CD2-CZ2 4.45Å
57S87.5Confident87.2Confident18 Ų1832.8 Ų32.813%0.12620%0.203CC..  trans-67.7141.1-175.8172.40000111.8S53 A59 L61S53-S57 WeakPolarHBondContact O-CB 3.25Å; S53-S57 PolarHBondContact O-N 2.94Å; S57-A59 WeakPolarHBondContact CB-O 3.45Å; S57-A59 PolarHBondContact OG-N 3.19Å; S57-A59 PolarHBondContact OG-O 2.96Å; S57-L61 WeakPolarHBondContact OG-CD1 3.36Å; S57-L61 WeakPolarHBondContact OG-CG 3.45Å
58S82.3Confident87.3Confident96 Ų9632.8 Ų32.867%0.67120%0.203SC*.SBendtrans-73.7-18.3168.3-56.30000112.9N205S58-N205 PolarHBondContact N-OD1 3.39Å; S58-N205 PolarHBondContact OG-OD1 3.18Å
59A83.9Confident87.5Confident46 Ų4632.8 Ų32.838%0.3820%0.202SC..SBendtrans-99.1149.2174.400000111S57 L61S57-A59 WeakPolarHBondContact CB-O 3.45Å; S57-A59 PolarHBondContact OG-N 3.19Å; S57-A59 PolarHBondContact OG-O 2.96Å; A59-L61 PolarHBondContact O-N 3.48Å
60D81.9Confident88.1Confident147 Ų14732.5 Ų32.579%0.78620%0.2SC*.  trans-71.894.9173.7-161.43.8000109.8H54H54-D60 IonicContact CE1-OD1 3.87Å; H54-D60 PolarHBondContact CE1-OD1 3.48Å; H54-D60 VanDerWaalsContact CE1-OD1 3.26Å; H54-D60 IonicContact ND1-OD1 3.28Å
61L81.1Confident88.5Confident22 Ų2231.9 Ų31.912%0.11519%0.19CC..  trans-94128.8-179.7-67.6178.8000109.8H54 S57 A59 L204H54-L61 PolarHBondContact ND1-O 3.32Å; S57-L61 WeakPolarHBondContact OG-CD1 3.36Å; S57-L61 WeakPolarHBondContact OG-CG 3.45Å; A59-L61 PolarHBondContact O-N 3.48Å; L61-L204 HydrophobicContact CD1-CD1 3.61Å; L61-L204 HydrophobicContact CD1-CG 4.47Å
62P81.1Confident88.8Confident102 Ų10231.9 Ų31.966%0.66219%0.19SC*.  trans-66.8145.9172.229.5-34.1000110
63F82.2Confident88.9Confident16 Ų1634.2 Ų34.27%0.0720%0.202CC..  trans-130.5137.916864.5-86.1000109.7A51 H54 I66A51-F63 HydrophobicContact CB-CD2 3.91Å; A51-F63 HydrophobicContact CB-CE2 4.12Å; A51-F63 HydrophobicContact CB-CG 4.28Å; H54-F63 HydrophobicContact CB-CD1 3.6Å; H54-F63 HydrophobicContact CB-CE1 4.17Å; H54-F63 HydrophobicContact CB-CG 4.44Å; H54-F63 AromaticContact CD2-CD1 3.97Å; H54-F63 AromaticContact CD2-CE1 3.64Å; H54-F63 AromaticContact CG-CD1 3.58Å; H54-F63 AromaticContact CG-CE1 3.74Å; H54-F63 AromaticContact ND1-CD1 3.99Å; F63-I66 HydrophobicContact CD2-CG1 4.21Å; F63-I66 HydrophobicContact CE2-CD1 4.13Å; F63-I66 HydrophobicContact CE2-CG1 3.66Å
64N78.7Confident89.1Confident30 Ų3033.9 Ų33.916%0.1620%0.2CC..SBendtrans-97.8-20.7-177.3-61.8-37.4000112.4G136 R137 S138 H274N64-G136 CarbonylContact O-C 3.58Å; N64-R137 CarbonylContact O-C 3.54Å; N64-R137 WeakPolarHBondContact O-CA 3.35Å; N64-S138 PolarHBondContact O-N 3.4Å; N64-H274 VanDerWaalsContact ND2-CA 3.3Å; N64-H274 WeakPolarHBondContact ND2-CA 3.18Å; N64-H274 PolarHBondContact ND2-O 3.11Å
65D82.8Confident89.1Confident35 Ų3535.3 Ų35.319%0.18722%0.215CC..EExtended strand (participates in β ladder)trans-136.9148.7-178.1-59.5-59000109.5S138D65-S138 WeakPolarHBondContact CA-O 3.42Å; D65-S138 WeakPolarHBondContact OD1-CB 2.88Å; D65-S138 PolarHBondContact OD1-N 2.82Å; D65-S138 PolarHBondContact OD1-OG 3.17Å
66I89.2Confident89.3Confident12 Ų1235.8 Ų35.86%0.06222%0.222CC..EExtended strand (participates in β ladder)trans-106.9107.7172-62.2167.6000106.7L24 A51 F63 L68 S138 L139 E140L24-I66 HydrophobicContact CD1-CD1 4.11Å; L24-I66 HydrophobicContact CD1-CG2 3.61Å; L24-I66 HydrophobicContact CD2-CD1 4.08Å; L24-I66 HydrophobicContact CD2-CG2 3.86Å; L24-I66 HydrophobicContact CG-CD1 4.49Å; L24-I66 HydrophobicContact CG-CG2 4.39Å; A51-I66 HydrophobicContact CB-CG1 4.45Å; F63-I66 HydrophobicContact CD2-CG1 4.21Å; F63-I66 HydrophobicContact CE2-CD1 4.13Å; F63-I66 HydrophobicContact CE2-CG1 3.66Å; I66-L68 HydrophobicContact CG2-CG 4.4Å; I66-S138 PolarHBondContact N-O 2.65Å; I66-L139 HydrophobicContact CB-CD1 3.87Å; I66-L139 HydrophobicContact CG2-CD1 3.72Å; I66-E140 PolarHBondContact O-N 3.49Å
67D92.6Very high89.3Confident37 Ų3740.4 Ų40.420%0.19825%0.252CS..EExtended strand (participates in β ladder)trans-97.6112-178.9-65.3-48.9000110.3M47 N48M47-D67 WeakPolarHBondContact CA-O 3.29Å; N48-D67 HydrophobicContact CB-CB 4.01Å; N48-D67 PolarHBondContact N-O 2.97Å
68L95.8Very high89.7Confident0 Ų046.9 Ų46.90%028%0.278CS..EExtended strand (participates in β ladder)trans-102.7123.5173.5-63.7175.3000110V28 K46 I66 F70 L139 E140 K142 L162V28-L68 HydrophobicContact CG2-CD1 3.64Å; K46-L68 CarbonylContact O-C 3.57Å; K46-L68 WeakPolarHBondContact O-CA 3.35Å; I66-L68 HydrophobicContact CG2-CG 4.4Å; L68-F70 HydrophobicContact CB-CE2 3.87Å; L68-L139 HydrophobicContact CD1-CD1 3.99Å; L68-L139 HydrophobicContact CG-CD1 4.35Å; L68-E140 PolarHBondContact N-O 3.36Å; L68-K142 WeakPolarHBondContact O-CB 3.49Å; L68-K142 PolarHBondContact O-N 2.84Å; L68-L162 HydrophobicContact CD2-CD1 4Å
69I97.3Very high90.3Very high12 Ų1243.2 Ų43.26%0.06225%0.25CS..EExtended strand (participates in β ladder)trans-104.5117.2176.7-59.1179.1000109.2V45 K46 N48 V71 K142 V144V45-I69 CarbonylContact C-O 3.53Å; V45-I69 VanDerWaalsContact CA-O 3.29Å; V45-I69 WeakPolarHBondContact CA-O 3.46Å; K46-I69 HydrophobicContact CB-CB 4.3Å; K46-I69 PolarHBondContact N-O 2.82Å; K46-I69 PolarHBondContact O-N 2.94Å; N48-I69 HydrophobicContact CB-CD1 3.69Å; N48-I69 HydrophobicContact CB-CG1 4.11Å; I69-V71 HydrophobicContact CG2-CG2 4.36Å; I69-K142 CarbonylContact C-O 3.57Å; I69-K142 WeakPolarHBondContact CA-O 3.3Å; I69-K142 HydrophobicContact CG1-CD 4.42Å; I69-V144 HydrophobicContact CG2-CB 4.19Å; I69-V144 HydrophobicContact CG2-CG2 3.85Å
70F98Very high90.9Very high0 Ų041.4 Ų41.40%023%0.234CC..EExtended strand (participates in β ladder)trans-98.6111.1169.6-61.9-101.1000107.9V28 V31 L32 V42 V45 L68 A72 L141 K142 F143 V144V28-F70 HydrophobicContact CG1-CE1 4.15Å; V28-F70 HydrophobicContact CG1-CZ 4.43Å; V28-F70 HydrophobicContact CG2-CZ 4.13Å; V31-F70 HydrophobicContact CB-CE1 4.44Å; V31-F70 HydrophobicContact CG1-CE1 3.91Å; V31-F70 HydrophobicContact CG1-CZ 4.1Å; L32-F70 HydrophobicContact CD2-CD1 4.13Å; L32-F70 HydrophobicContact CD2-CE1 4.28Å; L32-F70 HydrophobicContact CG-CE1 4.31Å; V42-F70 HydrophobicContact CG1-CB 4.16Å; V42-F70 HydrophobicContact CG1-CD1 4.31Å; V45-F70 HydrophobicContact CG1-CD1 4.29Å; V45-F70 HydrophobicContact CG1-CE1 4.15Å; V45-F70 HydrophobicContact CG1-CZ 4.39Å; V45-F70 HydrophobicContact CG2-CD1 3.72Å; V45-F70 HydrophobicContact CG2-CE1 3.97Å; L68-F70 HydrophobicContact CB-CE2 3.87Å; F70-A72 VanDerWaalsContact C-N 3.33Å; F70-A72 PolarHBondContact O-N 3.33Å; F70-L141 HydrophobicContact CE2-CB 4.16Å; F70-L141 HydrophobicContact CE2-CD2 4.01Å; F70-L141 HydrophobicContact CE2-CG 4.29Å; F70-L141 HydrophobicContact CZ-CD2 4.25Å; F70-K142 PolarHBondContact N-O 3.42Å; F70-F143 HydrophobicContact CB-CD1 3.53Å; F70-F143 HydrophobicContact CB-CE1 3.76Å; F70-F143 HydrophobicContact CB-CG 4.35Å; F70-F143 HydrophobicContact CD1-CE1 4.12Å; F70-F143 HydrophobicContact CD2-CD1 4.22Å; F70-F143 AromaticContact CD2-CE1 3.76Å; F70-F143 HydrophobicContact CD2-CE1 3.76Å; F70-F143 HydrophobicContact CD2-CZ 4.04Å; F70-F143 HydrophobicContact CE2-CE1 4.4Å; F70-F143 HydrophobicContact CE2-CZ 4.36Å; F70-F143 AromaticContact CG-CD1 3.94Å; F70-F143 HydrophobicContact CG-CD1 3.94Å; F70-F143 AromaticContact CG-CE1 3.61Å; F70-F143 HydrophobicContact CG-CE1 3.61Å; F70-F143 HydrophobicContact CG-CZ 4.34Å; F70-F143 CarbonylContact O-C 3.47Å; F70-F143 WeakPolarHBondContact O-CA 3.36Å; F70-V144 PolarHBondContact O-N 2.78Å
71V97.5Very high91.6Very high19 Ų1938.3 Ų38.312%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-76.688.6176.2-176.60000108.2V42 R43 E44 I69 V144V42-V71 CarbonylContact C-O 3.46Å; V42-V71 WeakPolarHBondContact CA-O 3.42Å; R43-V71 HydrophobicContact CB-CG1 4.35Å; R43-V71 PolarHBondContact N-O 3.4Å; E44-V71 HydrophobicContact CB-CB 4.15Å; E44-V71 HydrophobicContact CB-CG2 3.98Å; E44-V71 PolarHBondContact O-N 3.25Å; I69-V71 HydrophobicContact CG2-CG2 4.36Å; V71-V144 CarbonylContact C-O 3.52Å; V71-V144 WeakPolarHBondContact CA-O 3.37Å
72A96.9Very high92.3Very high0 Ų038.9 Ų38.90%022%0.222CC..EExtended strand (participates in β ladder)trans-109.1150.8-17100000111.9S41 V42 F70 L74 I83 F143 V144 H145S41-A72 VanDerWaalsContact O-CA 3.32Å; S41-A72 WeakPolarHBondContact O-CA 3.44Å; V42-A72 HydrophobicContact CG2-CB 4.18Å; F70-A72 VanDerWaalsContact C-N 3.33Å; F70-A72 PolarHBondContact O-N 3.33Å; A72-L74 PolarHBondContact O-N 3.44Å; A72-I83 HydrophobicContact CB-CD1 4.41Å; A72-F143 HydrophobicContact CB-CB 4.43Å; A72-F143 HydrophobicContact CB-CD1 4.46Å; A72-V144 PolarHBondContact N-O 2.93Å; A72-V144 VanDerWaalsContact N-O 3.09Å; A72-H145 WeakPolarHBondContact O-CA 3.43Å; A72-H145 WeakPolarHBondContact O-CB 3.46Å
73D94.9Very high93.1Very high49 Ų4934 Ų3426%0.26219%0.19SC..  trans-72.9124.8165.9-172.622.3000110.6S41 S75 Q79 H145S41-D73 PolarHBondContact O-N 3.07Å; D73-S75 VanDerWaalsContact CG-OG 3.31Å; D73-S75 WeakPolarHBondContact OD1-CB 3.48Å; D73-S75 PolarHBondContact OD1-N 3.42Å; D73-S75 PolarHBondContact OD1-OG 3.07Å; D73-S75 PolarHBondContact OD2-OG 2.95Å; D73-Q79 PolarHBondContact O-NE2 2.8Å; D73-Q79 PolarHBondContact O-OE1 3.06Å; D73-Q79 PolarHBondContact OD2-NE2 3.06Å; D73-H145 IonicContact OD1-CE1 3.77Å; D73-H145 PolarHBondContact OD1-CE1 3.43Å; D73-H145 IonicContact OD1-ND1 3.2Å; D73-H145 PolarHBondContact OD1-ND1 3.34Å; D73-H145 VanDerWaalsContact OD1-ND1 3.14Å
74L95Very high93.8Very high1 Ų136.3 Ų36.31%0.00520%0.2CC..  trans-124.812.2176.7-67.3174000111.4A72 A76 Q79 F80 I83 L125 F143 H145A72-L74 PolarHBondContact O-N 3.44Å; L74-A76 PolarHBondContact O-N 3.26Å; L74-Q79 HydrophobicContact CD2-CB 4.08Å; L74-F80 HydrophobicContact CB-CE2 4.17Å; L74-F80 HydrophobicContact CB-CZ 4.16Å; L74-F80 HydrophobicContact CD1-CE1 4.07Å; L74-F80 HydrophobicContact CD1-CZ 4.06Å; L74-F80 HydrophobicContact CD2-CD1 4.41Å; L74-F80 HydrophobicContact CD2-CD2 4.49Å; L74-F80 HydrophobicContact CD2-CE1 4.37Å; L74-F80 HydrophobicContact CD2-CE2 4.45Å; L74-F80 HydrophobicContact CD2-CG 4.48Å; L74-F80 HydrophobicContact CD2-CZ 4.39Å; L74-F80 HydrophobicContact CG-CZ 4.47Å; L74-I83 HydrophobicContact CD2-CD1 3.24Å; L74-I83 HydrophobicContact CG-CD1 4.37Å; L74-L125 HydrophobicContact CB-CD2 3.83Å; L74-L125 HydrophobicContact CB-CG 3.75Å; L74-L125 WeakPolarHBondContact O-CD2 3.35Å; L74-F143 WeakPolarHBondContact CD1-O 3.32Å; L74-H145 HydrophobicContact CB-CB 3.73Å; L74-H145 HydrophobicContact CD1-CB 4.17Å; L74-H145 HydrophobicContact CG-CB 4.13Å; L74-H145 PolarHBondContact N-ND1 2.85Å
75S92.1Very high94.7Very high78 Ų7838.4 Ų38.455%0.54521%0.209SC..  trans-56.6-32.1-177.963.50000112.7D73D73-S75 VanDerWaalsContact CG-OG 3.31Å; D73-S75 WeakPolarHBondContact OD1-CB 3.48Å; D73-S75 PolarHBondContact OD1-N 3.42Å; D73-S75 PolarHBondContact OD1-OG 3.07Å; D73-S75 PolarHBondContact OD2-OG 2.95Å
76A93.5Very high95.4Very high29 Ų2937 Ų3724%0.2420%0.201CC..SBendtrans-93.9125.4175.200000110.6L74 K78 Q79L74-A76 PolarHBondContact O-N 3.26Å; A76-K78 HydrophobicContact CB-CG 4.08Å; A76-K78 PolarHBondContact O-N 2.68Å; A76-Q79 HydrophobicContact CB-CG 4.18Å; A76-Q79 VanDerWaalsContact O-CB 3.31Å; A76-Q79 WeakPolarHBondContact O-CB 3.45Å; A76-Q79 PolarHBondContact O-N 3.46Å
77P91.4Very high95.7Very high100 Ų10036.4 Ų36.465%0.64920%0.198SC*.THydrogen-bonded Turntrans-53.9-29.2-178.8-29.835.6000115.1Q79 F80P77-Q79 VanDerWaalsContact C-N 3.25Å; P77-Q79 PolarHBondContact O-N 3.14Å; P77-F80 PolarHBondContact O-N 2.89Å
78K95.2Very high95.9Very high154 Ų15434.9 Ų34.967%0.6719%0.19SC*.Hα-helixtrans-62.2-28.8175.768.2174.1-175.6171.40113.5A76 F80 D81 T82A76-K78 HydrophobicContact CB-CG 4.08Å; A76-K78 PolarHBondContact O-N 2.68Å; K78-F80 PolarHBondContact O-N 3.47Å; K78-D81 PolarHBondContact O-N 3.2Å; K78-D81 VanDerWaalsContact O-N 3.08Å; K78-T82 PolarHBondContact O-N 3.41Å; K78-T82 PolarHBondContact O-OG1 3.14Å
79Q95.4Very high95.9Very high19 Ų1936.1 Ų36.19%0.08920%0.197CC..Hα-helixtrans-62.4-29.9-176.5-75.2166.3-32.800111.7D73 L74 A76 P77 D81 T82 I83D73-Q79 PolarHBondContact O-NE2 2.8Å; D73-Q79 PolarHBondContact O-OE1 3.06Å; D73-Q79 PolarHBondContact OD2-NE2 3.06Å; L74-Q79 HydrophobicContact CD2-CB 4.08Å; A76-Q79 HydrophobicContact CB-CG 4.18Å; A76-Q79 VanDerWaalsContact O-CB 3.31Å; A76-Q79 WeakPolarHBondContact O-CB 3.45Å; A76-Q79 PolarHBondContact O-N 3.46Å; P77-Q79 VanDerWaalsContact C-N 3.25Å; P77-Q79 PolarHBondContact O-N 3.14Å; Q79-D81 PolarHBondContact O-N 2.96Å; Q79-T82 PolarHBondContact O-N 3.39Å; Q79-I83 WeakPolarHBondContact O-CB 3.3Å; Q79-I83 WeakPolarHBondContact O-CD1 3.34Å; Q79-I83 VanDerWaalsContact O-CG1 3.3Å; Q79-I83 WeakPolarHBondContact O-CG1 3.28Å; Q79-I83 PolarHBondContact O-N 2.96Å
80F95.9Very high95.9Very high8 Ų835.5 Ų35.54%0.03519%0.194CC..Hα-helixtrans-59.7-45.1173.8-74.9-85.2000112.7L74 P77 K78 K84 K119 L125L74-F80 HydrophobicContact CB-CE2 4.17Å; L74-F80 HydrophobicContact CB-CZ 4.16Å; L74-F80 HydrophobicContact CD1-CE1 4.07Å; L74-F80 HydrophobicContact CD1-CZ 4.06Å; L74-F80 HydrophobicContact CD2-CD1 4.41Å; L74-F80 HydrophobicContact CD2-CD2 4.49Å; L74-F80 HydrophobicContact CD2-CE1 4.37Å; L74-F80 HydrophobicContact CD2-CE2 4.45Å; L74-F80 HydrophobicContact CD2-CG 4.48Å; L74-F80 HydrophobicContact CD2-CZ 4.39Å; L74-F80 HydrophobicContact CG-CZ 4.47Å; P77-F80 PolarHBondContact O-N 2.89Å; K78-F80 PolarHBondContact O-N 3.47Å; F80-K84 WeakPolarHBondContact O-CB 3.33Å; F80-K84 PolarHBondContact O-N 3.09Å; F80-K119 HydrophobicContact CB-CD 4.13Å; F80-K119 HydrophobicContact CD1-CB 4.35Å; F80-K119 HydrophobicContact CD1-CD 3.77Å; F80-K119 HydrophobicContact CD1-CG 3.6Å; F80-K119 HydrophobicContact CE1-CD 4.3Å; F80-K119 HydrophobicContact CE1-CG 3.73Å; F80-K119 HydrophobicContact CG-CD 3.88Å; F80-K119 HydrophobicContact CG-CG 4.22Å; F80-K119 HydrophobicContact CZ-CG 4.44Å; F80-L125 HydrophobicContact CE2-CD1 3.8Å; F80-L125 HydrophobicContact CZ-CD1 3.61Å; F80-L125 HydrophobicContact CZ-CG 4.16Å
81D96.2Very high95.7Very high82 Ų8235.5 Ų35.544%0.43919%0.194SC..Hα-helixtrans-73.3-41.7179.3-74.1-47.6000110.8K78 Q79 I83 K84 E85K78-D81 PolarHBondContact O-N 3.2Å; K78-D81 VanDerWaalsContact O-N 3.08Å; Q79-D81 PolarHBondContact O-N 2.96Å; D81-I83 PolarHBondContact O-N 2.89Å; D81-K84 WeakPolarHBondContact O-CB 3.22Å; D81-K84 PolarHBondContact O-N 3.39Å; D81-K84 IonicContact OD1-NZ 3.55Å; D81-K84 PolarHBondContact OD1-NZ 2.85Å; D81-E85 WeakPolarHBondContact O-CG 3.36Å; D81-E85 PolarHBondContact O-N 2.84Å
82T97.2Very high95.6Very high33 Ų3335.7 Ų35.720%0.20219%0.194CC..Hα-helixtrans-57-49174.9-54.50000111.7C38 V40 K78 Q79 K84 E85 C86C38-T82 HydrophobicContact CB-CG2 3.54Å; V40-T82 HydrophobicContact CG2-CG2 3.63Å; K78-T82 PolarHBondContact O-N 3.41Å; K78-T82 PolarHBondContact O-OG1 3.14Å; Q79-T82 PolarHBondContact O-N 3.39Å; T82-K84 VanDerWaalsContact C-N 3.34Å; T82-K84 PolarHBondContact O-N 2.93Å; T82-E85 PolarHBondContact O-N 3.17Å; T82-C86 PolarHBondContact O-N 3.4Å; T82-C86 PolarHBondContact O-SG 3.28Å
83I97.3Very high95.4Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-59.5-45.3177.6-77.2161.5000111.6L35 V40 A72 L74 Q79 D81 E85 C86 V87 F143L35-I83 HydrophobicContact CD2-CB 4.28Å; L35-I83 HydrophobicContact CD2-CG1 3.61Å; V40-I83 HydrophobicContact CG1-CD1 4Å; V40-I83 HydrophobicContact CG1-CG1 3.91Å; V40-I83 HydrophobicContact CG2-CG1 4.42Å; A72-I83 HydrophobicContact CB-CD1 4.41Å; L74-I83 HydrophobicContact CD2-CD1 3.24Å; L74-I83 HydrophobicContact CG-CD1 4.37Å; Q79-I83 WeakPolarHBondContact O-CB 3.3Å; Q79-I83 WeakPolarHBondContact O-CD1 3.34Å; Q79-I83 VanDerWaalsContact O-CG1 3.3Å; Q79-I83 WeakPolarHBondContact O-CG1 3.28Å; Q79-I83 PolarHBondContact O-N 2.96Å; D81-I83 PolarHBondContact O-N 2.89Å; I83-E85 VanDerWaalsContact C-N 3.3Å; I83-E85 PolarHBondContact O-N 2.96Å; I83-C86 PolarHBondContact O-N 2.86Å; I83-V87 WeakPolarHBondContact O-CG2 3.42Å; I83-V87 PolarHBondContact O-N 2.96Å; I83-F143 HydrophobicContact CD1-CB 4.15Å; I83-F143 HydrophobicContact CD1-CD1 4.27Å; I83-F143 HydrophobicContact CD1-CG 4.27Å; I83-F143 HydrophobicContact CG1-CD1 4.4Å; I83-F143 HydrophobicContact CG2-CB 4.29Å; I83-F143 HydrophobicContact CG2-CD1 3.72Å; I83-F143 HydrophobicContact CG2-CD2 3.41Å; I83-F143 VanDerWaalsContact CG2-CD2 3.41Å; I83-F143 HydrophobicContact CG2-CE1 3.88Å; I83-F143 HydrophobicContact CG2-CE2 3.56Å; I83-F143 HydrophobicContact CG2-CG 3.49Å; I83-F143 VanDerWaalsContact CG2-CG 3.49Å; I83-F143 HydrophobicContact CG2-CZ 3.8Å
84K97.1Very high95.4Very high65 Ų6538.9 Ų38.928%0.28321%0.207SC..Hα-helixtrans-57.4-46.7176.9176.2-166.573.7-161.40110.6F80 D81 T82 L88 M117F80-K84 WeakPolarHBondContact O-CB 3.33Å; F80-K84 PolarHBondContact O-N 3.09Å; D81-K84 WeakPolarHBondContact O-CB 3.22Å; D81-K84 PolarHBondContact O-N 3.39Å; D81-K84 IonicContact OD1-NZ 3.55Å; D81-K84 PolarHBondContact OD1-NZ 2.85Å; T82-K84 VanDerWaalsContact C-N 3.34Å; T82-K84 PolarHBondContact O-N 2.93Å; K84-L88 HydrophobicContact CG-CD1 4.17Å; K84-L88 VanDerWaalsContact O-CG 3.24Å; K84-L88 WeakPolarHBondContact O-CG 3.22Å; K84-L88 PolarHBondContact O-N 3.47Å; K84-L88 VanDerWaalsContact O-N 3.11Å; K84-M117 HydrophobicContact CD-SD 4.49Å; K84-M117 HydrophobicContact CG-SD 4.2Å
85E96.8Very high95.3Very high74 Ų7439 Ų3935%0.34621%0.208SC..Hα-helixtrans-65.4-43.8178-67.5-172.5140.300112.3D81 T82 I83 V87 L88 D89 R106D81-E85 WeakPolarHBondContact O-CG 3.36Å; D81-E85 PolarHBondContact O-N 2.84Å; T82-E85 PolarHBondContact O-N 3.17Å; I83-E85 VanDerWaalsContact C-N 3.3Å; I83-E85 PolarHBondContact O-N 2.96Å; E85-V87 PolarHBondContact O-N 3.48Å; E85-L88 PolarHBondContact O-N 2.9Å; E85-D89 WeakPolarHBondContact O-CB 3.36Å; E85-D89 PolarHBondContact O-N 2.87Å; E85-R106 IonicContact OE1-CZ 3.73Å; E85-R106 IonicContact OE1-NH1 3.35Å; E85-R106 PolarHBondContact OE1-NH1 2.92Å; E85-R106 IonicContact OE2-NH1 3.52Å
86C97.4Very high95.3Very high4 Ų438.2 Ų38.23%0.02720%0.2CC..Hα-helixtrans-56.6-47.5175.9-68.20000111.6R34 L35 C38 T82 I83 D89 S90R34-C86 HydrophobicContact CB-CB 4.11Å; R34-C86 WeakPolarHBondContact CD-O 3.43Å; L35-C86 HydrophobicContact CD2-CB 3.78Å; L35-C86 HydrophobicContact CG-CB 4.28Å; C38-C86 VanDerWaalsContact SG-SG 3.63Å; T82-C86 PolarHBondContact O-N 3.4Å; T82-C86 PolarHBondContact O-SG 3.28Å; I83-C86 PolarHBondContact O-N 2.86Å; C86-D89 PolarHBondContact O-N 3.41Å; C86-S90 PolarHBondContact O-N 3.48Å; C86-S90 PolarHBondContact O-OG 3.39Å
87V97.3Very high95Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-65-42.5179.6173.20000111.6V31 I83 E85 D89 S90 L91 I129 L141 F143V31-V87 HydrophobicContact CG1-CG2 4.28Å; V31-V87 HydrophobicContact CG2-CG2 4.45Å; I83-V87 WeakPolarHBondContact O-CG2 3.42Å; I83-V87 PolarHBondContact O-N 2.96Å; E85-V87 PolarHBondContact O-N 3.48Å; V87-D89 VanDerWaalsContact C-N 3.32Å; V87-D89 PolarHBondContact O-N 3Å; V87-S90 WeakPolarHBondContact O-CB 3.49Å; V87-S90 PolarHBondContact O-N 2.94Å; V87-L91 WeakPolarHBondContact O-CG 3.49Å; V87-L91 PolarHBondContact O-N 3.03Å; V87-L91 VanDerWaalsContact O-N 3.07Å; V87-I129 HydrophobicContact CB-CD1 3.79Å; V87-I129 HydrophobicContact CG1-CD1 3.89Å; V87-I129 HydrophobicContact CG1-CG2 4.21Å; V87-I129 HydrophobicContact CG2-CD1 3.99Å; V87-L141 HydrophobicContact CG1-CD2 4.44Å; V87-L141 HydrophobicContact CG2-CD2 4.46Å; V87-F143 HydrophobicContact CG2-CE2 3.85Å; V87-F143 HydrophobicContact CG2-CZ 3.5Å; V87-F143 VanDerWaalsContact CG2-CZ 3.5Å
88L96.8Very high94.7Very high5 Ų543.4 Ų43.43%0.02624%0.239CC..Hα-helixtrans-64.8-39177-66.8173.4000111.8K84 E85 S90 L91 L92 R106 M109 K110 V114K84-L88 HydrophobicContact CG-CD1 4.17Å; K84-L88 VanDerWaalsContact O-CG 3.24Å; K84-L88 WeakPolarHBondContact O-CG 3.22Å; K84-L88 PolarHBondContact O-N 3.47Å; K84-L88 VanDerWaalsContact O-N 3.11Å; E85-L88 PolarHBondContact O-N 2.9Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-L91 PolarHBondContact O-N 3.37Å; L88-L92 PolarHBondContact O-N 3.47Å; L88-R106 HydrophobicContact CB-CB 4.46Å; L88-R106 HydrophobicContact CB-CG 4.48Å; L88-R106 HydrophobicContact CD1-CB 4.06Å; L88-M109 HydrophobicContact CD2-CB 4.3Å; L88-K110 HydrophobicContact CD1-CB 4.04Å; L88-K110 HydrophobicContact CD2-CB 3.78Å; L88-K110 HydrophobicContact CD2-CG 4.44Å; L88-V114 HydrophobicContact CD2-CG2 3.85Å
89D95.8Very high94.4Very high26 Ų2638.9 Ų38.914%0.13922%0.222CC..Hα-helixtrans-72-27.9176.3-66.8-13.7000111.9R34 E85 C86 V87 L92 R106R34-D89 VanDerWaalsContact CZ-O 3.23Å; R34-D89 PolarHBondContact NE-O 3.32Å; R34-D89 PolarHBondContact NH2-O 3.47Å; E85-D89 WeakPolarHBondContact O-CB 3.36Å; E85-D89 PolarHBondContact O-N 2.87Å; C86-D89 PolarHBondContact O-N 3.41Å; V87-D89 VanDerWaalsContact C-N 3.32Å; V87-D89 PolarHBondContact O-N 3Å; D89-L92 WeakPolarHBondContact O-CB 3.47Å; D89-L92 PolarHBondContact O-N 3.33Å; D89-R106 WeakPolarHBondContact OD1-CG 3.49Å; D89-R106 IonicContact OD1-CZ 3.78Å; D89-R106 IonicContact OD1-NE 2.79Å; D89-R106 PolarHBondContact OD1-NE 3.46Å; D89-R106 IonicContact OD1-NH2 3.41Å; D89-R106 IonicContact OD2-CZ 3.57Å; D89-R106 IonicContact OD2-NE 3.79Å; D89-R106 PolarHBondContact OD2-NE 3.01Å; D89-R106 IonicContact OD2-NH2 2.85Å; D89-R106 PolarHBondContact OD2-NH2 3.45Å
90S95.9Very high94Very high0 Ų040.9 Ų40.90%024%0.238CC..Hα-helixtrans-63.8-44.6169.1-61.70000111.1V31 R34 C86 V87 L88 L92 E93 F94V31-S90 WeakPolarHBondContact CA-OG 3.4Å; V31-S90 WeakPolarHBondContact CG2-OG 3.32Å; R34-S90 WeakPolarHBondContact CD-OG 3.3Å; C86-S90 PolarHBondContact O-N 3.48Å; C86-S90 PolarHBondContact O-OG 3.39Å; V87-S90 WeakPolarHBondContact O-CB 3.49Å; V87-S90 PolarHBondContact O-N 2.94Å; L88-S90 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 2.8Å; S90-E93 WeakPolarHBondContact O-CB 3.39Å; S90-E93 PolarHBondContact O-N 3.01Å; S90-F94 VanDerWaalsContact O-CD2 3.26Å; S90-F94 WeakPolarHBondContact O-CD2 3.35Å
91L95.2Very high93.6Very high0 Ų045.3 Ų45.30%025%0.254CS..Hα-helixtrans-60.8-29.8179.5-66.2176.1000112.7L20 I22 V87 L88 E93 F94 M109 L131L20-L91 HydrophobicContact CD1-CD2 4.3Å; I22-L91 HydrophobicContact CD1-CD2 4.26Å; V87-L91 WeakPolarHBondContact O-CG 3.49Å; V87-L91 PolarHBondContact O-N 3.03Å; V87-L91 VanDerWaalsContact O-N 3.07Å; L88-L91 PolarHBondContact O-N 3.37Å; L91-E93 PolarHBondContact O-N 2.65Å; L91-F94 PolarHBondContact O-N 3.23Å; L91-M109 HydrophobicContact CB-CE 3.56Å; L91-L131 HydrophobicContact CD1-CD2 3.88Å; L91-L131 HydrophobicContact CD2-CD1 3.98Å; L91-L131 HydrophobicContact CD2-CD2 4.31Å
92L94.1Very high93.1Very high23 Ų2346.4 Ų46.412%0.1228%0.275CS..G310 helixtrans-62.4-28.4176.1-72.7171.6000112.9L88 D89 S90 F94 L95 R101 I104 M109L88-L92 PolarHBondContact O-N 3.47Å; D89-L92 WeakPolarHBondContact O-CB 3.47Å; D89-L92 PolarHBondContact O-N 3.33Å; S90-L92 PolarHBondContact O-N 2.8Å; L92-F94 VanDerWaalsContact C-N 3.28Å; L92-F94 PolarHBondContact O-N 2.85Å; L92-L95 HydrophobicContact CD2-CD1 3.77Å; L92-L95 PolarHBondContact O-N 2.87Å; L92-R101 WeakPolarHBondContact O-CD 3.42Å; L92-R101 PolarHBondContact O-NE 3Å; L92-I104 HydrophobicContact CD2-CB 3.97Å; L92-I104 HydrophobicContact CD2-CG2 3.93Å; L92-M109 HydrophobicContact CD2-CE 4.01Å; L92-M109 HydrophobicContact CD2-CG 3.5Å; L92-M109 VanDerWaalsContact CD2-CG 3.5Å; L92-M109 HydrophobicContact CD2-SD 3.53Å; L92-M109 VanDerWaalsContact CD2-SD 3.53Å; L92-M109 HydrophobicContact CG-CE 4.28Å; L92-M109 HydrophobicContact CG-CG 3.91Å; L92-M109 HydrophobicContact CG-SD 4.31Å
93E92.6Very high92.7Very high78 Ų7853.5 Ų53.536%0.36430%0.303SS..G310 helixtrans-71-26.8179.9-66.1-174.1-146.700112.7V30 R34 S90 L91 L95 R101V30-E93 HydrophobicContact CG1-CB 4.48Å; V30-E93 VanDerWaalsContact CG1-CD 3.43Å; V30-E93 HydrophobicContact CG1-CG 4.32Å; V30-E93 WeakPolarHBondContact CG1-OE1 3.36Å; V30-E93 WeakPolarHBondContact CG1-OE2 3.42Å; R34-E93 IonicContact CZ-OE1 3.4Å; R34-E93 IonicContact NE-OE1 3Å; R34-E93 PolarHBondContact NE-OE1 2.81Å; R34-E93 IonicContact NH2-OE1 2.65Å; R34-E93 PolarHBondContact NH2-OE1 3.46Å; S90-E93 WeakPolarHBondContact O-CB 3.39Å; S90-E93 PolarHBondContact O-N 3.01Å; L91-E93 PolarHBondContact O-N 2.65Å; E93-L95 VanDerWaalsContact C-N 3.3Å; E93-R101 PolarHBondContact O-NH2 3.35Å
94F94.4Very high92.4Very high37 Ų3755.1 Ų55.116%0.16231%0.311CS..G310 helixtrans-86.50.2-179.7-61-72.8000113.4L20 I22 D26 L27 V30 S90 L91 L92L20-F94 HydrophobicContact CB-CB 4.37Å; L20-F94 HydrophobicContact CD1-CB 4.36Å; I22-F94 HydrophobicContact CB-CD1 4.35Å; I22-F94 HydrophobicContact CD1-CB 3.78Å; I22-F94 HydrophobicContact CD1-CD1 4.25Å; I22-F94 HydrophobicContact CD1-CD2 3.73Å; I22-F94 HydrophobicContact CD1-CE2 4.4Å; I22-F94 HydrophobicContact CD1-CG 3.64Å; I22-F94 HydrophobicContact CG1-CB 3.84Å; I22-F94 HydrophobicContact CG1-CD1 3.81Å; I22-F94 HydrophobicContact CG1-CD2 4.22Å; I22-F94 HydrophobicContact CG1-CE1 4.46Å; I22-F94 HydrophobicContact CG1-CG 3.68Å; I22-F94 HydrophobicContact CG2-CD1 4Å; I22-F94 HydrophobicContact CG2-CD2 4.42Å; I22-F94 HydrophobicContact CG2-CE1 3.77Å; I22-F94 HydrophobicContact CG2-CE2 4.21Å; I22-F94 HydrophobicContact CG2-CG 4.32Å; I22-F94 HydrophobicContact CG2-CZ 3.89Å; D26-F94 HydrophobicContact CB-CE1 3.81Å; D26-F94 HydrophobicContact CB-CZ 4.11Å; L27-F94 HydrophobicContact CD1-CE2 3.88Å; L27-F94 HydrophobicContact CD1-CZ 4.49Å; V30-F94 HydrophobicContact CB-CE2 4.31Å; V30-F94 HydrophobicContact CB-CZ 4.19Å; V30-F94 HydrophobicContact CG1-CE2 4.4Å; V30-F94 HydrophobicContact CG2-CE2 4.36Å; V30-F94 HydrophobicContact CG2-CZ 3.85Å; S90-F94 VanDerWaalsContact O-CD2 3.26Å; S90-F94 WeakPolarHBondContact O-CD2 3.35Å; L91-F94 PolarHBondContact O-N 3.23Å; L92-F94 VanDerWaalsContact C-N 3.28Å; L92-F94 PolarHBondContact O-N 2.85Å
95L93.9Very high92.2Very high4 Ų455 Ų552%0.02132%0.319CS..SBendtrans-66.7136.6173.5-74.6170.3000110.6P18 L20 L92 E93 I99 R101 I104 M109 Y113P18-L95 HydrophobicContact CG-CD2 4.01Å; L20-L95 HydrophobicContact CD2-CD2 3.87Å; L20-L95 HydrophobicContact CD2-CG 4.43Å; L92-L95 HydrophobicContact CD2-CD1 3.77Å; L92-L95 PolarHBondContact O-N 2.87Å; E93-L95 VanDerWaalsContact C-N 3.3Å; L95-I99 HydrophobicContact CB-CD1 4.45Å; L95-I99 HydrophobicContact CD1-CG2 4.22Å; L95-I99 HydrophobicContact CD2-CD1 4.2Å; L95-R101 HydrophobicContact CD1-CG 4.45Å; L95-R101 PolarHBondContact O-NH2 3.31Å; L95-I104 HydrophobicContact CD1-CD1 3.55Å; L95-M109 HydrophobicContact CD1-CE 4.42Å; L95-M109 HydrophobicContact CD1-SD 4.26Å; L95-M109 HydrophobicContact CG-CE 4.47Å; L95-Y113 HydrophobicContact CD2-CE2 4.41Å
96P92.1Very high92.1Very high61 Ų6156.3 Ų56.340%0.39632%0.32SS..PPolyproline II helixtrans-51.7150.4175.6-27.532.8000113.4P18 I99P18-P96 HydrophobicContact CB-CG 4.19Å; P18-P96 HydrophobicContact CG-CG 4.15Å; P96-I99 HydrophobicContact CB-CD1 4.41Å; P96-I99 HydrophobicContact CG-CD1 4.42Å; P96-I99 PolarHBondContact O-N 2.88Å
97D87.3Confident92Very high151 Ų15160.2 Ų60.281%0.80734%0.344SS*.THydrogen-bonded Turntrans-57.8145.5174.3-66.3-34.6000111.3
98G85.8Confident91.9Very high87 Ų8761.5 Ų61.590%0.89735%0.354SS*.THydrogen-bonded Turntrans93-12.2-176.100000114.9
99I87.9Confident91.8Very high59 Ų5961.2 Ų61.230%0.30335%0.353SS..SBendtrans-84.8126.5173.1-59.5179.7000110.1P18 L95 P96 R101 I104P18-I99 HydrophobicContact CG-CD1 3.82Å; L95-I99 HydrophobicContact CB-CD1 4.45Å; L95-I99 HydrophobicContact CD1-CG2 4.22Å; L95-I99 HydrophobicContact CD2-CD1 4.2Å; P96-I99 HydrophobicContact CB-CD1 4.41Å; P96-I99 HydrophobicContact CG-CD1 4.42Å; P96-I99 PolarHBondContact O-N 2.88Å; I99-R101 PolarHBondContact O-N 2.96Å; I99-I104 HydrophobicContact CG2-CD1 3.46Å; I99-I104 VanDerWaalsContact CG2-CD1 3.46Å
100S86.3Confident91.8Very high61 Ų6163.2 Ų63.243%0.42736%0.361SS..  trans-73.986.8177.5-169.90000111.2A102 K103S100-A102 PolarHBondContact O-N 2.88Å; S100-K103 PolarHBondContact O-N 3.44Å
101R88.4Confident91.8Very high102 Ų10267.2 Ų67.239%0.38538%0.382SS..G310 helixtrans-52-39.4-178.5-59.2177.1-173.7171.3-0.5112.8L92 E93 L95 I99 K103 I104L92-R101 WeakPolarHBondContact O-CD 3.42Å; L92-R101 PolarHBondContact O-NE 3Å; E93-R101 PolarHBondContact O-NH2 3.35Å; L95-R101 HydrophobicContact CD1-CG 4.45Å; L95-R101 PolarHBondContact O-NH2 3.31Å; I99-R101 PolarHBondContact O-N 2.96Å; R101-K103 PolarHBondContact O-N 2.87Å; R101-K103 VanDerWaalsContact O-N 3.14Å; R101-I104 PolarHBondContact O-N 2.8Å; R101-I104 VanDerWaalsContact O-N 3.09Å
102A85Confident91.7Very high104 Ų10467.3 Ų67.386%0.8638%0.383SS*.G310 helixtrans-62.9-19.2-179.900000114.6S100S100-A102 PolarHBondContact O-N 2.88Å
103K88.5Confident91.8Very high182 Ų18266.2 Ų66.279%0.79138%0.377SS*.G310 helixtrans-92.1-9.5178.3-65.7-176.7-178.9-179.60113.2S100 R101S100-K103 PolarHBondContact O-N 3.44Å; R101-K103 PolarHBondContact O-N 2.87Å; R101-K103 VanDerWaalsContact O-N 3.14Å
104I91.9Very high91.9Very high35 Ų3562.9 Ų62.918%0.17936%0.362CS..  trans-94.8120.3-175.9-59.5174.1000108.6F17 L92 L95 I99 R101 A108 M109F17-I104 HydrophobicContact CE1-CG2 4.13Å; F17-I104 HydrophobicContact CZ-CG2 4.46Å; L92-I104 HydrophobicContact CD2-CB 3.97Å; L92-I104 HydrophobicContact CD2-CG2 3.93Å; L95-I104 HydrophobicContact CD1-CD1 3.55Å; I99-I104 HydrophobicContact CG2-CD1 3.46Å; I99-I104 VanDerWaalsContact CG2-CD1 3.46Å; R101-I104 PolarHBondContact O-N 2.8Å; R101-I104 VanDerWaalsContact O-N 3.09Å; I104-A108 HydrophobicContact CG2-CB 4.12Å; I104-M109 HydrophobicContact CG2-CG 3.82Å; I104-M109 HydrophobicContact CG2-SD 3.67Å
105S93.7Very high91.8Very high63 Ų6365.4 Ų65.444%0.44137%0.371SS..  trans-77.5154.3177.870.50000111.6T107 A108 M109S105-T107 PolarHBondContact O-N 3.44Å; S105-A108 WeakPolarHBondContact O-CB 3.25Å; S105-A108 PolarHBondContact O-N 2.8Å; S105-A108 PolarHBondContact OG-N 2.95Å; S105-M109 PolarHBondContact O-N 3.01Å; S105-M109 VanDerWaalsContact O-N 3.09Å
106R93.8Very high91.7Very high101 Ų10170.7 Ų70.738%0.38139%0.393SS..Hα-helixtrans-55.1-37.4171.1-67.1178.1-177.51412.6112.3E85 L88 D89 A108 M109 K110E85-R106 IonicContact OE1-CZ 3.73Å; E85-R106 IonicContact OE1-NH1 3.35Å; E85-R106 PolarHBondContact OE1-NH1 2.92Å; E85-R106 IonicContact OE2-NH1 3.52Å; L88-R106 HydrophobicContact CB-CB 4.46Å; L88-R106 HydrophobicContact CB-CG 4.48Å; L88-R106 HydrophobicContact CD1-CB 4.06Å; D89-R106 WeakPolarHBondContact OD1-CG 3.49Å; D89-R106 IonicContact OD1-CZ 3.78Å; D89-R106 IonicContact OD1-NE 2.79Å; D89-R106 PolarHBondContact OD1-NE 3.46Å; D89-R106 IonicContact OD1-NH2 3.41Å; D89-R106 IonicContact OD2-CZ 3.57Å; D89-R106 IonicContact OD2-NE 3.79Å; D89-R106 PolarHBondContact OD2-NE 3.01Å; D89-R106 IonicContact OD2-NH2 2.85Å; D89-R106 PolarHBondContact OD2-NH2 3.45Å; R106-A108 VanDerWaalsContact C-N 3.33Å; R106-A108 PolarHBondContact O-N 2.82Å; R106-M109 PolarHBondContact O-N 2.81Å; R106-K110 VanDerWaalsContact O-CB 3.31Å; R106-K110 WeakPolarHBondContact O-CB 3.4Å; R106-K110 PolarHBondContact O-N 2.96Å
107T94.7Very high91.8Very high86 Ų8671.5 Ų71.553%0.52839%0.393SS..Hα-helixtrans-59.7-44.4175.3-54.10000111.2S105 K110 D111S105-T107 PolarHBondContact O-N 3.44Å; T107-K110 WeakPolarHBondContact O-CB 3.33Å; T107-K110 PolarHBondContact O-N 3.3Å; T107-D111 PolarHBondContact O-N 3.1Å
108A94.9Very high92.2Very high26 Ų2666.1 Ų66.122%0.21537%0.365CS..Hα-helixtrans-64.2-43.5177.400000111.8F17 I104 S105 R106 K110 D111 A112F17-A108 HydrophobicContact CZ-CB 3.97Å; I104-A108 HydrophobicContact CG2-CB 4.12Å; S105-A108 WeakPolarHBondContact O-CB 3.25Å; S105-A108 PolarHBondContact O-N 2.8Å; S105-A108 PolarHBondContact OG-N 2.95Å; R106-A108 VanDerWaalsContact C-N 3.33Å; R106-A108 PolarHBondContact O-N 2.82Å; A108-K110 VanDerWaalsContact C-N 3.33Å; A108-K110 PolarHBondContact O-N 2.99Å; A108-D111 PolarHBondContact O-N 3.19Å; A108-A112 WeakPolarHBondContact O-CB 3.12Å; A108-A112 PolarHBondContact O-N 3.44Å
109M95.5Very high92.7Very high0 Ų067.2 Ų67.20%035%0.345CS..Hα-helixtrans-61.2-41.7175.8-68.3-56-71.700112.7F17 L88 L91 L92 L95 I104 S105 R106 A112 Y113F17-M109 HydrophobicContact CE1-SD 4.25Å; L88-M109 HydrophobicContact CD2-CB 4.3Å; L91-M109 HydrophobicContact CB-CE 3.56Å; L92-M109 HydrophobicContact CD2-CE 4.01Å; L92-M109 HydrophobicContact CD2-CG 3.5Å; L92-M109 VanDerWaalsContact CD2-CG 3.5Å; L92-M109 HydrophobicContact CD2-SD 3.53Å; L92-M109 VanDerWaalsContact CD2-SD 3.53Å; L92-M109 HydrophobicContact CG-CE 4.28Å; L92-M109 HydrophobicContact CG-CG 3.91Å; L92-M109 HydrophobicContact CG-SD 4.31Å; L95-M109 HydrophobicContact CD1-CE 4.42Å; L95-M109 HydrophobicContact CD1-SD 4.26Å; L95-M109 HydrophobicContact CG-CE 4.47Å; I104-M109 HydrophobicContact CG2-CG 3.82Å; I104-M109 HydrophobicContact CG2-SD 3.67Å; S105-M109 PolarHBondContact O-N 3.01Å; S105-M109 VanDerWaalsContact O-N 3.09Å; R106-M109 PolarHBondContact O-N 2.81Å; M109-A112 PolarHBondContact O-N 2.8Å; M109-Y113 HydrophobicContact CE-CD2 3.5Å; M109-Y113 VanDerWaalsContact CE-CD2 3.5Å; M109-Y113 HydrophobicContact CE-CE2 3.47Å; M109-Y113 VanDerWaalsContact CE-CE2 3.47Å; M109-Y113 PolarHBondContact O-N 2.88Å; M109-Y113 HydrophobicContact SD-CD2 4.05Å; M109-Y113 HydrophobicContact SD-CE2 3.83Å
110K95.7Very high93Very high68 Ų6866.1 Ų66.130%0.29634%0.341SS..Hα-helixtrans-61.2-49.9176.6-176.1-144.468.91780110.9L88 R106 T107 A108 A112 V114 M117L88-K110 HydrophobicContact CD1-CB 4.04Å; L88-K110 HydrophobicContact CD2-CB 3.78Å; L88-K110 HydrophobicContact CD2-CG 4.44Å; R106-K110 VanDerWaalsContact O-CB 3.31Å; R106-K110 WeakPolarHBondContact O-CB 3.4Å; R106-K110 PolarHBondContact O-N 2.96Å; T107-K110 WeakPolarHBondContact O-CB 3.33Å; T107-K110 PolarHBondContact O-N 3.3Å; A108-K110 VanDerWaalsContact C-N 3.33Å; A108-K110 PolarHBondContact O-N 2.99Å; K110-A112 VanDerWaalsContact C-N 3.3Å; K110-A112 PolarHBondContact O-N 2.98Å; K110-V114 HydrophobicContact CG-CB 4.42Å; K110-V114 HydrophobicContact CG-CG2 4.48Å; K110-V114 VanDerWaalsContact O-CB 3.25Å; K110-V114 WeakPolarHBondContact O-CB 3.15Å; K110-V114 PolarHBondContact O-N 2.79Å; K110-M117 HydrophobicContact CD-CE 3.45Å; K110-M117 VanDerWaalsContact CD-CE 3.45Å; K110-M117 HydrophobicContact CG-CE 3.25Å; K110-M117 HydrophobicContact CG-SD 4.49Å
111D95.2Very high93.3Very high83 Ų8366.1 Ų66.144%0.44434%0.342SS..Hα-helixtrans-67.2-33.5-179.2-66.1-26.1000112R14 T107 A108R14-D111 WeakPolarHBondContact CD-O 3.45Å; R14-D111 PolarHBondContact NH1-O 2.76Å; R14-D111 VanDerWaalsContact NH1-O 3.14Å; T107-D111 PolarHBondContact O-N 3.1Å; A108-D111 PolarHBondContact O-N 3.19Å
112A94.7Very high93.3Very high3 Ų367.7 Ų67.73%0.02536%0.358CS..Hα-helixtrans-73.6-46.6-179.400000113.9R14 F17 A108 M109 K110R14-A112 WeakPolarHBondContact CG-O 3.47Å; R14-A112 PolarHBondContact N-O 3.43Å; F17-A112 HydrophobicContact CB-CB 3.87Å; F17-A112 HydrophobicContact CD1-CB 3.7Å; F17-A112 HydrophobicContact CD2-CB 3.58Å; F17-A112 HydrophobicContact CE1-CB 4.12Å; F17-A112 HydrophobicContact CE2-CB 4.02Å; F17-A112 HydrophobicContact CG-CB 3.42Å; F17-A112 VanDerWaalsContact CG-CB 3.42Å; F17-A112 HydrophobicContact CZ-CB 4.27Å; A108-A112 WeakPolarHBondContact O-CB 3.12Å; A108-A112 PolarHBondContact O-N 3.44Å; M109-A112 PolarHBondContact O-N 2.8Å; K110-A112 VanDerWaalsContact C-N 3.3Å; K110-A112 PolarHBondContact O-N 2.98Å
113Y95.7Very high93.7Very high0 Ų068.4 Ų68.40%034%0.343CS..Hα-helixtrans-117.5-18.6-165.2-64.4-68000114.6V11 F17 P18 L20 L95 M109 N132V11-Y113 HydrophobicContact CG1-CD1 3.95Å; V11-Y113 HydrophobicContact CG1-CG 4.49Å; F17-Y113 HydrophobicContact CB-CE2 4.35Å; F17-Y113 AromaticContact CD1-CE2 3.77Å; F17-Y113 HydrophobicContact CD1-CE2 3.77Å; F17-Y113 HydrophobicContact CG-CE2 4.39Å; P18-Y113 WeakPolarHBondContact CD-OH 3.27Å; P18-Y113 WeakPolarHBondContact O-CE1 3.29Å; P18-Y113 PolarHBondContact O-OH 3.28Å; L20-Y113 HydrophobicContact CD1-CD1 3.89Å; L20-Y113 HydrophobicContact CD1-CD2 4.29Å; L20-Y113 HydrophobicContact CD1-CE1 3.73Å; L20-Y113 HydrophobicContact CD1-CE2 4.15Å; L20-Y113 HydrophobicContact CD1-CG 4.15Å; L20-Y113 HydrophobicContact CD2-CE1 4.01Å; L20-Y113 HydrophobicContact CD2-CE2 4.46Å; L20-Y113 WeakPolarHBondContact CD2-OH 3.37Å; L20-Y113 HydrophobicContact CG-CD1 4.11Å; L20-Y113 HydrophobicContact CG-CE1 3.51Å; L20-Y113 HydrophobicContact CG-CE2 4.5Å; L95-Y113 HydrophobicContact CD2-CE2 4.41Å; M109-Y113 HydrophobicContact CE-CD2 3.5Å; M109-Y113 VanDerWaalsContact CE-CD2 3.5Å; M109-Y113 HydrophobicContact CE-CE2 3.47Å; M109-Y113 VanDerWaalsContact CE-CE2 3.47Å; M109-Y113 PolarHBondContact O-N 2.88Å; M109-Y113 HydrophobicContact SD-CD2 4.05Å; M109-Y113 HydrophobicContact SD-CE2 3.83Å; Y113-N132 PolarHBondContact O-N 3.14Å
114V94.8Very high93.9Very high8 Ų861.5 Ų61.55%0.04832%0.315CS..EExtended strand (participates in β ladder)trans-92120.9-176.9-176.10000110.1R14 L88 K110 M117 I129 L131R14-V114 PolarHBondContact NH1-O 2.67Å; L88-V114 HydrophobicContact CD2-CG2 3.85Å; K110-V114 HydrophobicContact CG-CB 4.42Å; K110-V114 HydrophobicContact CG-CG2 4.48Å; K110-V114 VanDerWaalsContact O-CB 3.25Å; K110-V114 WeakPolarHBondContact O-CB 3.15Å; K110-V114 PolarHBondContact O-N 2.79Å; V114-M117 HydrophobicContact CG1-CE 4.1Å; V114-M117 HydrophobicContact CG1-CG 3.5Å; V114-M117 HydrophobicContact CG1-SD 4.09Å; V114-I129 HydrophobicContact CG1-CG2 3.85Å; V114-I129 HydrophobicContact CG2-CG2 4.04Å; V114-L131 HydrophobicContact CG2-CD2 4.32Å
115R91.6Very high94.1Very high90 Ų9060.7 Ų60.734%0.3431%0.311SS..EExtended strand (participates in β ladder)trans-80.2-45.4176.9-176.5-179.8179.6-178.25.6111.3S130 N132 S138 N273R115-S130 WeakPolarHBondContact CB-O 3.46Å; R115-S130 PolarHBondContact N-O 2.85Å; R115-N132 HydrophobicContact CB-CB 4.47Å; R115-S138 PolarHBondContact NH1-OG 2.95Å; R115-N273 PolarHBondContact NH1-OD1 2.94Å; R115-N273 PolarHBondContact NH2-ND2 3.02Å; R115-N273 PolarHBondContact NH2-OD1 3.16Å
116K92Very high94.3Very high115 Ų11559.7 Ų59.750%0.530%0.297SS..EExtended strand (participates in β ladder)trans-150.3140.6-173.6-179.5-174.2176.8-166.60110.3V118 S130K116-V118 HydrophobicContact CD-CG2 4.38Å; K116-V118 HydrophobicContact CG-CG2 4.22Å; K116-S130 PolarHBondContact N-O 3.41Å; K116-S130 PolarHBondContact O-N 3.32Å
117M95.3Very high94.5Very high77 Ų7755.4 Ų55.438%0.37928%0.283SS..EExtended strand (participates in β ladder)trans-127.7143.4166.9-69.6-173.5-81.600110.7K84 K110 V114 L128 I129K84-M117 HydrophobicContact CD-SD 4.49Å; K84-M117 HydrophobicContact CG-SD 4.2Å; K110-M117 HydrophobicContact CD-CE 3.45Å; K110-M117 VanDerWaalsContact CD-CE 3.45Å; K110-M117 HydrophobicContact CG-CE 3.25Å; K110-M117 HydrophobicContact CG-SD 4.49Å; V114-M117 HydrophobicContact CG1-CE 4.1Å; V114-M117 HydrophobicContact CG1-CG 3.5Å; V114-M117 HydrophobicContact CG1-SD 4.09Å; M117-L128 CarbonylContact C-O 3.07Å; M117-L128 WeakPolarHBondContact CA-O 3.5Å; M117-I129 HydrophobicContact CG-CB 4.45Å; M117-I129 HydrophobicContact CG-CG1 4.1Å; M117-I129 HydrophobicContact CG-CG2 4.26Å; M117-I129 HydrophobicContact SD-CG1 4.29Å
118V95.4Very high94.6Very high39 Ų3951.9 Ų51.924%0.23626%0.261CS..EExtended strand (participates in β ladder)trans-135.2136.4177.8-174.10000108.8K116 V120 W126 S127 L128K116-V118 HydrophobicContact CD-CG2 4.38Å; K116-V118 HydrophobicContact CG-CG2 4.22Å; V118-V120 HydrophobicContact CG1-CG2 4.01Å; V118-W126 HydrophobicContact CB-CH2 4.49Å; V118-W126 HydrophobicContact CB-CZ3 4.25Å; V118-W126 HydrophobicContact CG1-CH2 3.92Å; V118-W126 HydrophobicContact CG1-CZ3 4.09Å; V118-S127 CarbonylContact O-C 3.6Å; V118-S127 VanDerWaalsContact O-CA 3.3Å; V118-S127 WeakPolarHBondContact O-CA 3.14Å; V118-S127 PolarHBondContact O-OG 2.73Å; V118-L128 HydrophobicContact CB-CB 4.24Å; V118-L128 HydrophobicContact CG2-CD2 4.44Å; V118-L128 PolarHBondContact N-O 2.87Å; V118-L128 PolarHBondContact O-N 2.79Å
119K96.1Very high94.7Very high109 Ų10950.7 Ų50.747%0.47425%0.251SS..EExtended strand (participates in β ladder)trans-123.8129.4170.1169.3173177.9179.10108.3F80F80-K119 HydrophobicContact CB-CD 4.13Å; F80-K119 HydrophobicContact CD1-CB 4.35Å; F80-K119 HydrophobicContact CD1-CD 3.77Å; F80-K119 HydrophobicContact CD1-CG 3.6Å; F80-K119 HydrophobicContact CE1-CD 4.3Å; F80-K119 HydrophobicContact CE1-CG 3.73Å; F80-K119 HydrophobicContact CG-CD 3.88Å; F80-K119 HydrophobicContact CG-CG 4.22Å; F80-K119 HydrophobicContact CZ-CG 4.44Å
120V94.8Very high94.6Very high36 Ų3650.8 Ų50.822%0.21825%0.252CS..EExtended strand (participates in β ladder)trans-126.1124.1173.7-1740000108.1V118 D124 L125 W126V118-V120 HydrophobicContact CG1-CG2 4.01Å; V120-D124 CarbonylContact C-O 3.57Å; V120-D124 HydrophobicContact CG1-CB 3.86Å; V120-L125 WeakPolarHBondContact O-CA 3.43Å; V120-W126 HydrophobicContact CB-CD2 4.22Å; V120-W126 HydrophobicContact CB-CG 4.29Å; V120-W126 HydrophobicContact CB-CZ2 4.3Å; V120-W126 HydrophobicContact CG2-CD2 4.03Å; V120-W126 HydrophobicContact CG2-CH2 4.04Å; V120-W126 HydrophobicContact CG2-CZ2 3.41Å; V120-W126 VanDerWaalsContact CG2-CZ2 3.41Å; V120-W126 PolarHBondContact N-O 3.32Å; V120-W126 PolarHBondContact O-N 2.92Å
121S92.3Very high94.6Very high62 Ų6247.6 Ų47.643%0.43424%0.238SC..EExtended strand (participates in β ladder)trans-138.931.5-168.261.90000114.9
122D88.7Confident94.2Very high135 Ų13544.5 Ų44.572%0.72222%0.221SC*.SBendtrans-112.3-121.5179.5-61.3-41.5000109.6D124D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 CarbonylContact C-O 3.47Å; D122-D124 PolarHBondContact N-O 2.86Å; D122-D124 PolarHBondContact O-N 2.85Å
123E91.6Very high93.7Very high118 Ų11845 Ų4555%0.55122%0.224SC*.SBendtrans-63.3-39.2175.2-59.9-167.8113.200112R146 R148E123-R146 PolarHBondContact O-NE 2.74Å; E123-R148 VanDerWaalsContact CD-NH1 3.27Å; E123-R148 IonicContact OE1-CZ 3.54Å; E123-R148 IonicContact OE1-NH1 3.27Å; E123-R148 PolarHBondContact OE1-NH1 3.3Å; E123-R148 IonicContact OE1-NH2 2.96Å; E123-R148 PolarHBondContact OE1-NH2 3.05Å; E123-R148 IonicContact OE2-CZ 3.49Å; E123-R148 VanDerWaalsContact OE2-CZ 3.28Å; E123-R148 IonicContact OE2-NH1 2.72Å; E123-R148 PolarHBondContact OE2-NH1 3.4Å; E123-R148 IonicContact OE2-NH2 3.24Å; E123-R148 PolarHBondContact OE2-NH2 2.98Å
124D93.9Very high92.7Very high37 Ų3750.4 Ų50.420%0.19825%0.252CS..SBendtrans-91.4144.2167.8-77.4-26.3000109.8V120 D122 M147 R148V120-D124 CarbonylContact C-O 3.57Å; V120-D124 HydrophobicContact CG1-CB 3.86Å; D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 CarbonylContact C-O 3.47Å; D122-D124 PolarHBondContact N-O 2.86Å; D122-D124 PolarHBondContact O-N 2.85Å; D124-M147 WeakPolarHBondContact OD1-CA 3.48Å; D124-R148 WeakPolarHBondContact OD1-CG 3.29Å; D124-R148 PolarHBondContact OD1-N 3Å
125L96.2Very high91.5Very high19 Ų1952.6 Ų52.610%0.09927%0.271CS..EExtended strand (participates in β ladder)trans-134.495-176.4-164.768.6000110.1L74 F80 V120 H145 R146L74-L125 HydrophobicContact CB-CD2 3.83Å; L74-L125 HydrophobicContact CB-CG 3.75Å; L74-L125 WeakPolarHBondContact O-CD2 3.35Å; F80-L125 HydrophobicContact CE2-CD1 3.8Å; F80-L125 HydrophobicContact CZ-CD1 3.61Å; F80-L125 HydrophobicContact CZ-CG 4.16Å; V120-L125 WeakPolarHBondContact O-CA 3.43Å; L125-H145 HydrophobicContact CB-CB 4.17Å; L125-H145 HydrophobicContact CD2-CB 3.9Å; L125-H145 HydrophobicContact CG-CB 4.12Å; L125-H145 WeakPolarHBondContact O-CB 3.16Å; L125-H145 PolarHBondContact O-N 2.83Å; L125-R146 CarbonylContact C-O 3.49Å; L125-R146 HydrophobicContact CB-CB 4.34Å; L125-R146 PolarHBondContact N-O 3.05Å; L125-R146 PolarHBondContact O-N 3Å
126W97.3Very high90.1Very high42 Ų4248.7 Ų48.716%0.15926%0.259CS..EExtended strand (participates in β ladder)trans-159.7157.1-177.960.5-83.5000113V118 V120 L128 K142 F143 V144 M147V118-W126 HydrophobicContact CB-CH2 4.49Å; V118-W126 HydrophobicContact CB-CZ3 4.25Å; V118-W126 HydrophobicContact CG1-CH2 3.92Å; V118-W126 HydrophobicContact CG1-CZ3 4.09Å; V120-W126 HydrophobicContact CB-CD2 4.22Å; V120-W126 HydrophobicContact CB-CG 4.29Å; V120-W126 HydrophobicContact CB-CZ2 4.3Å; V120-W126 HydrophobicContact CG2-CD2 4.03Å; V120-W126 HydrophobicContact CG2-CH2 4.04Å; V120-W126 HydrophobicContact CG2-CZ2 3.41Å; V120-W126 VanDerWaalsContact CG2-CZ2 3.41Å; V120-W126 PolarHBondContact N-O 3.32Å; V120-W126 PolarHBondContact O-N 2.92Å; W126-L128 HydrophobicContact CE3-CB 4.15Å; W126-L128 HydrophobicContact CZ3-CB 3.73Å; W126-L128 HydrophobicContact CZ3-CD1 4.11Å; W126-K142 HydrophobicContact CE3-CG 4.37Å; W126-F143 CarbonylContact C-O 3.56Å; W126-F143 WeakPolarHBondContact CA-O 3.39Å; W126-F143 VanDerWaalsContact CB-O 3.25Å; W126-F143 WeakPolarHBondContact CB-O 3.46Å; W126-V144 HydrophobicContact CB-CB 4.47Å; W126-V144 HydrophobicContact CB-CG2 4.18Å; W126-M147 HydrophobicContact CB-CE 3.98Å; W126-M147 HydrophobicContact CD2-CE 3.23Å; W126-M147 HydrophobicContact CE3-CE 3.9Å; W126-M147 HydrophobicContact CG-CE 3.25Å; W126-M147 HydrophobicContact CZ2-CE 4.01Å
127S97.1Very high89.2Confident11 Ų1148 Ų488%0.07725%0.253CS..EExtended strand (participates in β ladder)trans-125.2152.6175.4-170.50000110.2V118 K142 F143V118-S127 CarbonylContact O-C 3.6Å; V118-S127 VanDerWaalsContact O-CA 3.3Å; V118-S127 WeakPolarHBondContact O-CA 3.14Å; V118-S127 PolarHBondContact O-OG 2.73Å; S127-K142 CarbonylContact O-C 3.55Å; S127-K142 WeakPolarHBondContact O-CA 3.34Å; S127-F143 PolarHBondContact N-O 3.39Å; S127-F143 PolarHBondContact O-N 3.4Å
128L97.1Very high88.5Confident12 Ų1244.4 Ų44.46%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-139.9136.7176179.1156.2000110.4M117 V118 W126 E140 L141M117-L128 CarbonylContact C-O 3.07Å; M117-L128 WeakPolarHBondContact CA-O 3.5Å; V118-L128 HydrophobicContact CB-CB 4.24Å; V118-L128 HydrophobicContact CG2-CD2 4.44Å; V118-L128 PolarHBondContact N-O 2.87Å; V118-L128 PolarHBondContact O-N 2.79Å; W126-L128 HydrophobicContact CE3-CB 4.15Å; W126-L128 HydrophobicContact CZ3-CB 3.73Å; W126-L128 HydrophobicContact CZ3-CD1 4.11Å; L128-E140 WeakPolarHBondContact CD1-OE2 3.23Å; L128-L141 CarbonylContact C-O 3.59Å; L128-L141 WeakPolarHBondContact CA-O 3.47Å
129I97.1Very high88.4Confident1 Ų142.8 Ų42.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-128.1112.4173.4-55.6178.9000107.4V87 V114 M117 L131 L141V87-I129 HydrophobicContact CB-CD1 3.79Å; V87-I129 HydrophobicContact CG1-CD1 3.89Å; V87-I129 HydrophobicContact CG1-CG2 4.21Å; V87-I129 HydrophobicContact CG2-CD1 3.99Å; V114-I129 HydrophobicContact CG1-CG2 3.85Å; V114-I129 HydrophobicContact CG2-CG2 4.04Å; M117-I129 HydrophobicContact CG-CB 4.45Å; M117-I129 HydrophobicContact CG-CG1 4.1Å; M117-I129 HydrophobicContact CG-CG2 4.26Å; M117-I129 HydrophobicContact SD-CG1 4.29Å; I129-L131 HydrophobicContact CG2-CD2 4.2Å; I129-L141 PolarHBondContact N-O 3.22Å; I129-L141 PolarHBondContact O-N 2.78Å
130S94.7Very high88.3Confident2 Ų239.3 Ų39.31%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-100.4123.3177.9-174.80000108.8R115 K116 E140R115-S130 WeakPolarHBondContact CB-O 3.46Å; R115-S130 PolarHBondContact N-O 2.85Å; K116-S130 PolarHBondContact N-O 3.41Å; K116-S130 PolarHBondContact O-N 3.32Å; S130-E140 WeakPolarHBondContact CB-OE1 3.31Å; S130-E140 PolarHBondContact OG-OE1 3.05Å
131L94.4Very high88.4Confident1 Ų137.6 Ų37.61%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-88.2149.7-179.4-57.2-177.5000110.9V11 L27 L91 V114 I129 N133 L139 L141V11-L131 HydrophobicContact CG1-CB 3.9Å; V11-L131 HydrophobicContact CG1-CD1 4.44Å; V11-L131 HydrophobicContact CG2-CB 4.35Å; V11-L131 HydrophobicContact CG2-CD1 4.12Å; L27-L131 HydrophobicContact CD2-CD1 4.3Å; L91-L131 HydrophobicContact CD1-CD2 3.88Å; L91-L131 HydrophobicContact CD2-CD1 3.98Å; L91-L131 HydrophobicContact CD2-CD2 4.31Å; V114-L131 HydrophobicContact CG2-CD2 4.32Å; I129-L131 HydrophobicContact CG2-CD2 4.2Å; L131-N133 PolarHBondContact O-N 3.45Å; L131-L139 HydrophobicContact CB-CB 4.37Å; L131-L139 HydrophobicContact CD1-CB 4.49Å; L131-L139 HydrophobicContact CD1-CD2 4.17Å; L131-L139 HydrophobicContact CD1-CG 4.36Å; L131-L139 PolarHBondContact N-O 2.75Å; L131-L141 HydrophobicContact CD1-CD1 3.78Å; L131-L141 HydrophobicContact CD2-CD1 4.45Å; L131-L141 HydrophobicContact CG-CD1 3.83Å
132N87.8Confident88.6Confident18 Ų1836.4 Ų36.410%0.09619%0.188CC..PPolyproline II helixtrans-74.8121.8-176.7-168.840000111.5V11 H12 Y113 R115 N134V11-N132 CarbonylContact C-O 3.48Å; V11-N132 WeakPolarHBondContact CA-O 3.33Å; H12-N132 PolarHBondContact N-O 2.8Å; H12-N132 WeakPolarHBondContact O-CB 3.41Å; H12-N132 PolarHBondContact O-ND2 3.38Å; Y113-N132 PolarHBondContact O-N 3.14Å; R115-N132 HydrophobicContact CB-CB 4.47Å; N132-N134 PolarHBondContact ND2-OD1 3.31Å
133N83.9Confident89.1Confident14 Ų1430 Ų308%0.07515%0.153CC..  trans-133.6115168.4-170.7-17.2000109.6Q10 L131 A135 G136 R137Q10-N133 VanDerWaalsContact O-CG 3.31Å; Q10-N133 PolarHBondContact O-ND2 2.93Å; L131-N133 PolarHBondContact O-N 3.45Å; N133-A135 PolarHBondContact O-N 3.39Å; N133-A135 WeakPolarHBondContact OD1-CB 3.41Å; N133-A135 PolarHBondContact OD1-N 3.32Å; N133-G136 PolarHBondContact O-N 3.36Å; N133-R137 VanDerWaalsContact CB-O 3.23Å; N133-R137 WeakPolarHBondContact CB-O 3.23Å; N133-R137 WeakPolarHBondContact ND2-CB 3.46Å; N133-R137 PolarHBondContact ND2-O 3.43Å
134N74Confident89.4Confident113 Ų11325.2 Ų25.260%0.60413%0.132SC*.THydrogen-bonded Turntrans-72.6-17-177.9-64.3-10.9000112.6H12 N132 G136H12-N134 PolarHBondContact CD2-ND2 2.65Å; H12-N134 VanDerWaalsContact CD2-ND2 3.32Å; H12-N134 PolarHBondContact ND1-N 3.34Å; N132-N134 PolarHBondContact ND2-OD1 3.31Å; N134-G136 PolarHBondContact O-N 3.42Å
135A69.4Low89.5Confident53 Ų5326.1 Ų26.144%0.43814%0.135SC..THydrogen-bonded Turntrans-84.817.9176.500000113N133 R137 Q276N133-A135 PolarHBondContact O-N 3.39Å; N133-A135 WeakPolarHBondContact OD1-CB 3.41Å; N133-A135 PolarHBondContact OD1-N 3.32Å; A135-R137 PolarHBondContact O-N 3.35Å; A135-Q276 PolarHBondContact O-NE2 2.81Å
136G63.9Low89.4Confident8 Ų831.1 Ų31.18%0.08215%0.152CC..SBendtrans76.1-19.8179.500000115.3N64 N133 N134 S138N64-G136 CarbonylContact O-C 3.58Å; N133-G136 PolarHBondContact O-N 3.36Å; N134-G136 PolarHBondContact O-N 3.42Å; G136-S138 VanDerWaalsContact C-N 3.32Å; G136-S138 PolarHBondContact O-N 3.41Å
137R72.2Confident89.2Confident100 Ų10030 Ų3038%0.37715%0.149SC..  trans-74.465.7178.6-72.3-173.1-178.2-179.81114.1E7 N64 N133 A135E7-R137 IonicContact OE1-NH1 2.61Å; E7-R137 PolarHBondContact OE1-NH1 3.42Å; E7-R137 IonicContact OE2-NH1 3.14Å; N64-R137 CarbonylContact O-C 3.54Å; N64-R137 WeakPolarHBondContact O-CA 3.35Å; N133-R137 VanDerWaalsContact CB-O 3.23Å; N133-R137 WeakPolarHBondContact CB-O 3.23Å; N133-R137 WeakPolarHBondContact ND2-CB 3.46Å; N133-R137 PolarHBondContact ND2-O 3.43Å; A135-R137 PolarHBondContact O-N 3.35Å
138S81.5Confident88.9Confident2 Ų235.9 Ų35.91%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-66141.6-176-35.70000110.7N64 D65 I66 R115 G136N64-S138 PolarHBondContact O-N 3.4Å; D65-S138 WeakPolarHBondContact CA-O 3.42Å; D65-S138 WeakPolarHBondContact OD1-CB 2.88Å; D65-S138 PolarHBondContact OD1-N 2.82Å; D65-S138 PolarHBondContact OD1-OG 3.17Å; I66-S138 PolarHBondContact N-O 2.65Å; R115-S138 PolarHBondContact NH1-OG 2.95Å; G136-S138 VanDerWaalsContact C-N 3.32Å; G136-S138 PolarHBondContact O-N 3.41Å
139L91.6Very high88.5Confident5 Ų538.2 Ų38.23%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-103.5113.8175.2-179.253.8000108.8L24 L27 I66 L68 L131 L141L24-L139 HydrophobicContact CD2-CD1 3.52Å; L24-L139 HydrophobicContact CD2-CD2 3.89Å; L24-L139 HydrophobicContact CD2-CG 4.39Å; L27-L139 HydrophobicContact CD2-CD2 3.31Å; L27-L139 HydrophobicContact CD2-CG 4.1Å; I66-L139 HydrophobicContact CB-CD1 3.87Å; I66-L139 HydrophobicContact CG2-CD1 3.72Å; L68-L139 HydrophobicContact CD1-CD1 3.99Å; L68-L139 HydrophobicContact CG-CD1 4.35Å; L131-L139 HydrophobicContact CB-CB 4.37Å; L131-L139 HydrophobicContact CD1-CB 4.49Å; L131-L139 HydrophobicContact CD1-CD2 4.17Å; L131-L139 HydrophobicContact CD1-CG 4.36Å; L131-L139 PolarHBondContact N-O 2.75Å; L139-L141 HydrophobicContact CG-CD1 4.48Å
140E94.7Very high88.1Confident36 Ų3642.1 Ų42.117%0.16820%0.196CC..EExtended strand (participates in β ladder)trans-108.4119.2-177.4-54-147139.900110.8I66 L68 L128 S130I66-E140 PolarHBondContact O-N 3.49Å; L68-E140 PolarHBondContact N-O 3.36Å; L128-E140 WeakPolarHBondContact CD1-OE2 3.23Å; S130-E140 WeakPolarHBondContact CB-OE1 3.31Å; S130-E140 PolarHBondContact OG-OE1 3.05Å
141L97.1Very high87.9Confident0 Ų043.1 Ų43.10%020%0.2CC..EExtended strand (participates in β ladder)trans-98.9112.9172.8-59.492.1000108.7L27 V31 F70 V87 L128 I129 L131 L139 F143L27-L141 HydrophobicContact CD2-CD1 4.29Å; L27-L141 HydrophobicContact CD2-CD2 4.11Å; L27-L141 HydrophobicContact CD2-CG 4.48Å; L27-L141 HydrophobicContact CG-CD2 4.33Å; V31-L141 HydrophobicContact CG2-CD2 4.04Å; F70-L141 HydrophobicContact CE2-CB 4.16Å; F70-L141 HydrophobicContact CE2-CD2 4.01Å; F70-L141 HydrophobicContact CE2-CG 4.29Å; F70-L141 HydrophobicContact CZ-CD2 4.25Å; V87-L141 HydrophobicContact CG1-CD2 4.44Å; V87-L141 HydrophobicContact CG2-CD2 4.46Å; L128-L141 CarbonylContact C-O 3.59Å; L128-L141 WeakPolarHBondContact CA-O 3.47Å; I129-L141 PolarHBondContact N-O 3.22Å; I129-L141 PolarHBondContact O-N 2.78Å; L131-L141 HydrophobicContact CD1-CD1 3.78Å; L131-L141 HydrophobicContact CD2-CD1 4.45Å; L131-L141 HydrophobicContact CG-CD1 3.83Å; L139-L141 HydrophobicContact CG-CD1 4.48Å; L141-F143 HydrophobicContact CB-CE2 3.84Å; L141-F143 HydrophobicContact CB-CZ 4.13Å; L141-F143 HydrophobicContact CD2-CZ 4.48Å
142K97.5Very high87.9Confident38 Ų3844.7 Ų44.717%0.16521%0.208CC..EExtended strand (participates in β ladder)trans-115.4118-175-166.3179179.6176.60110.3L68 I69 F70 W126 S127 V144 M147L68-K142 WeakPolarHBondContact O-CB 3.49Å; L68-K142 PolarHBondContact O-N 2.84Å; I69-K142 CarbonylContact C-O 3.57Å; I69-K142 WeakPolarHBondContact CA-O 3.3Å; I69-K142 HydrophobicContact CG1-CD 4.42Å; F70-K142 PolarHBondContact N-O 3.42Å; W126-K142 HydrophobicContact CE3-CG 4.37Å; S127-K142 CarbonylContact O-C 3.55Å; S127-K142 WeakPolarHBondContact O-CA 3.34Å; K142-V144 HydrophobicContact CD-CG2 4.1Å; K142-V144 HydrophobicContact CG-CG2 3.75Å; K142-M147 HydrophobicContact CD-CE 4.47Å; K142-M147 WeakPolarHBondContact CE-SD 3.37Å; K142-M147 VanDerWaalsContact NZ-CE 3.3Å; K142-M147 PolarHBondContact NZ-SD 3.24Å
143F98.1Very high88.2Confident0 Ų043.9 Ų43.90%020%0.203CC..EExtended strand (participates in β ladder)trans-101.6112.8-179.8-58.1-89.6000108.5V31 L35 F70 A72 L74 I83 V87 W126 S127 L141V31-F143 HydrophobicContact CG1-CE1 4.22Å; V31-F143 HydrophobicContact CG1-CZ 4.17Å; L35-F143 HydrophobicContact CD1-CD1 4.37Å; L35-F143 HydrophobicContact CD1-CE1 3.73Å; F70-F143 HydrophobicContact CB-CD1 3.53Å; F70-F143 HydrophobicContact CB-CE1 3.76Å; F70-F143 HydrophobicContact CB-CG 4.35Å; F70-F143 HydrophobicContact CD1-CE1 4.12Å; F70-F143 HydrophobicContact CD2-CD1 4.22Å; F70-F143 AromaticContact CD2-CE1 3.76Å; F70-F143 HydrophobicContact CD2-CE1 3.76Å; F70-F143 HydrophobicContact CD2-CZ 4.04Å; F70-F143 HydrophobicContact CE2-CE1 4.4Å; F70-F143 HydrophobicContact CE2-CZ 4.36Å; F70-F143 AromaticContact CG-CD1 3.94Å; F70-F143 HydrophobicContact CG-CD1 3.94Å; F70-F143 AromaticContact CG-CE1 3.61Å; F70-F143 HydrophobicContact CG-CE1 3.61Å; F70-F143 HydrophobicContact CG-CZ 4.34Å; F70-F143 CarbonylContact O-C 3.47Å; F70-F143 WeakPolarHBondContact O-CA 3.36Å; A72-F143 HydrophobicContact CB-CB 4.43Å; A72-F143 HydrophobicContact CB-CD1 4.46Å; L74-F143 WeakPolarHBondContact CD1-O 3.32Å; I83-F143 HydrophobicContact CD1-CB 4.15Å; I83-F143 HydrophobicContact CD1-CD1 4.27Å; I83-F143 HydrophobicContact CD1-CG 4.27Å; I83-F143 HydrophobicContact CG1-CD1 4.4Å; I83-F143 HydrophobicContact CG2-CB 4.29Å; I83-F143 HydrophobicContact CG2-CD1 3.72Å; I83-F143 HydrophobicContact CG2-CD2 3.41Å; I83-F143 VanDerWaalsContact CG2-CD2 3.41Å; I83-F143 HydrophobicContact CG2-CE1 3.88Å; I83-F143 HydrophobicContact CG2-CE2 3.56Å; I83-F143 HydrophobicContact CG2-CG 3.49Å; I83-F143 VanDerWaalsContact CG2-CG 3.49Å; I83-F143 HydrophobicContact CG2-CZ 3.8Å; V87-F143 HydrophobicContact CG2-CE2 3.85Å; V87-F143 HydrophobicContact CG2-CZ 3.5Å; V87-F143 VanDerWaalsContact CG2-CZ 3.5Å; W126-F143 CarbonylContact C-O 3.56Å; W126-F143 WeakPolarHBondContact CA-O 3.39Å; W126-F143 VanDerWaalsContact CB-O 3.25Å; W126-F143 WeakPolarHBondContact CB-O 3.46Å; S127-F143 PolarHBondContact N-O 3.39Å; S127-F143 PolarHBondContact O-N 3.4Å; L141-F143 HydrophobicContact CB-CE2 3.84Å; L141-F143 HydrophobicContact CB-CZ 4.13Å; L141-F143 HydrophobicContact CD2-CZ 4.48Å
144V97.3Very high88.8Confident17 Ų1743.2 Ų43.210%0.10320%0.199CC..EExtended strand (participates in β ladder)trans-120.3119.8-169-176.90000110.4I69 F70 V71 A72 W126 K142 M147I69-V144 HydrophobicContact CG2-CB 4.19Å; I69-V144 HydrophobicContact CG2-CG2 3.85Å; F70-V144 PolarHBondContact O-N 2.78Å; V71-V144 CarbonylContact C-O 3.52Å; V71-V144 WeakPolarHBondContact CA-O 3.37Å; A72-V144 PolarHBondContact N-O 2.93Å; A72-V144 VanDerWaalsContact N-O 3.09Å; W126-V144 HydrophobicContact CB-CB 4.47Å; W126-V144 HydrophobicContact CB-CG2 4.18Å; K142-V144 HydrophobicContact CD-CG2 4.1Å; K142-V144 HydrophobicContact CG-CG2 3.75Å; V144-M147 HydrophobicContact CG1-CB 3.76Å; V144-M147 HydrophobicContact CG2-CE 4.42Å
145H96.6Very high89.8Confident57 Ų5738.2 Ų38.226%0.26417%0.173SC..EExtended strand (participates in β ladder)trans-96-48164.5-178.995.5000110.6A72 D73 L74 L125A72-H145 WeakPolarHBondContact O-CA 3.43Å; A72-H145 WeakPolarHBondContact O-CB 3.46Å; D73-H145 IonicContact OD1-CE1 3.77Å; D73-H145 PolarHBondContact OD1-CE1 3.43Å; D73-H145 IonicContact OD1-ND1 3.2Å; D73-H145 PolarHBondContact OD1-ND1 3.34Å; D73-H145 VanDerWaalsContact OD1-ND1 3.14Å; L74-H145 HydrophobicContact CB-CB 3.73Å; L74-H145 HydrophobicContact CD1-CB 4.17Å; L74-H145 HydrophobicContact CG-CB 4.13Å; L74-H145 PolarHBondContact N-ND1 2.85Å; L125-H145 HydrophobicContact CB-CB 4.17Å; L125-H145 HydrophobicContact CD2-CB 3.9Å; L125-H145 HydrophobicContact CG-CB 4.12Å; L125-H145 WeakPolarHBondContact O-CB 3.16Å; L125-H145 PolarHBondContact O-N 2.83Å
146R95.1Very high90.9Very high123 Ų12336.4 Ų36.446%0.46416%0.156SC..EExtended strand (participates in β ladder)trans-144.6132.9175.4178.9167.553.7-120.5-6.7110.6E123 L125E123-R146 PolarHBondContact O-NE 2.74Å; L125-R146 CarbonylContact C-O 3.49Å; L125-R146 HydrophobicContact CB-CB 4.34Å; L125-R146 PolarHBondContact N-O 3.05Å; L125-R146 PolarHBondContact O-N 3Å
147M92.5Very high92.3Very high19 Ų1936 Ų369%0.09415%0.152CC..  trans-148.3120.8176.5173.6168.7-6800110.1D124 W126 K142 V144 R149 Q150D124-M147 WeakPolarHBondContact OD1-CA 3.48Å; W126-M147 HydrophobicContact CB-CE 3.98Å; W126-M147 HydrophobicContact CD2-CE 3.23Å; W126-M147 HydrophobicContact CE3-CE 3.9Å; W126-M147 HydrophobicContact CG-CE 3.25Å; W126-M147 HydrophobicContact CZ2-CE 4.01Å; K142-M147 HydrophobicContact CD-CE 4.47Å; K142-M147 WeakPolarHBondContact CE-SD 3.37Å; K142-M147 VanDerWaalsContact NZ-CE 3.3Å; K142-M147 PolarHBondContact NZ-SD 3.24Å; V144-M147 HydrophobicContact CG1-CB 3.76Å; V144-M147 HydrophobicContact CG2-CE 4.42Å; M147-R149 VanDerWaalsContact CG-O 3.31Å; M147-R149 WeakPolarHBondContact CG-O 3.39Å; M147-Q150 HydrophobicContact CB-CG 4.47Å; M147-Q150 HydrophobicContact CG-CG 4.17Å; M147-Q150 WeakPolarHBondContact O-CG 3.45Å
148R90.7Very high93.4Very high135 Ų13531.2 Ų31.251%0.50913%0.134SC..SBendtrans-72.6-44.4177.3-69.9174178.91794.6112.2E123 D124 Q150E123-R148 VanDerWaalsContact CD-NH1 3.27Å; E123-R148 IonicContact OE1-CZ 3.54Å; E123-R148 IonicContact OE1-NH1 3.27Å; E123-R148 PolarHBondContact OE1-NH1 3.3Å; E123-R148 IonicContact OE1-NH2 2.96Å; E123-R148 PolarHBondContact OE1-NH2 3.05Å; E123-R148 IonicContact OE2-CZ 3.49Å; E123-R148 VanDerWaalsContact OE2-CZ 3.28Å; E123-R148 IonicContact OE2-NH1 2.72Å; E123-R148 PolarHBondContact OE2-NH1 3.4Å; E123-R148 IonicContact OE2-NH2 3.24Å; E123-R148 PolarHBondContact OE2-NH2 2.98Å; D124-R148 WeakPolarHBondContact OD1-CG 3.29Å; D124-R148 PolarHBondContact OD1-N 3Å; R148-Q150 PolarHBondContact O-N 2.91Å
149R88.2Confident94Very high60 Ų6031.3 Ų31.323%0.22613%0.134CC..  trans-95.894.5-178.5-173.9-164.8-172.2-161.45111.1M147 E152 L216M147-R149 VanDerWaalsContact CG-O 3.31Å; M147-R149 WeakPolarHBondContact CG-O 3.39Å; R149-E152 IonicContact CZ-OE1 2.65Å; R149-E152 VanDerWaalsContact CZ-OE1 3.27Å; R149-E152 IonicContact NH1-OE1 2.78Å; R149-E152 PolarHBondContact NH1-OE1 3.24Å; R149-E152 VanDerWaalsContact NH2-CG 3.28Å; R149-E152 IonicContact NH2-OE1 3.61Å; R149-E152 PolarHBondContact NH2-OE1 3.21Å; R149-E152 IonicContact NH2-OE2 3.2Å; R149-L216 WeakPolarHBondContact CD-O 2.93Å; R149-L216 HydrophobicContact CG-CB 4.27Å; R149-L216 PolarHBondContact NE-O 2.9Å
150Q88.9Confident94.2Very high84 Ų8431.1 Ų31.139%0.39313%0.133SC..  trans-95.9-16.6-178.7-61.3-171.454.900114.2M147 R148 V193M147-Q150 HydrophobicContact CB-CG 4.47Å; M147-Q150 HydrophobicContact CG-CG 4.17Å; M147-Q150 WeakPolarHBondContact O-CG 3.45Å; R148-Q150 PolarHBondContact O-N 2.91Å; Q150-V193 HydrophobicContact CB-CB 4.2Å; Q150-V193 HydrophobicContact CB-CG1 4.41Å; Q150-V193 HydrophobicContact CB-CG2 3.89Å
151F91.6Very high94.1Very high22 Ų2230.2 Ų30.210%0.09613%0.129CC..  trans-148.8168.6178.870.9-82.5000111.3F153 V193 F194F151-F153 VanDerWaalsContact CD2-O 3.27Å; F151-F153 WeakPolarHBondContact CD2-O 3.46Å; F151-V193 HydrophobicContact CB-CG2 3.84Å; F151-V193 HydrophobicContact CD1-CB 4.19Å; F151-V193 HydrophobicContact CD1-CG2 3.62Å; F151-V193 WeakPolarHBondContact CE1-O 3.43Å; F151-V193 HydrophobicContact CG-CG2 4.06Å; F151-F194 HydrophobicContact CE2-CB 4.32Å; F151-F194 AromaticContact CE2-CD2 3.72Å; F151-F194 HydrophobicContact CE2-CD2 3.72Å; F151-F194 HydrophobicContact CZ-CB 4.31Å; F151-F194 AromaticContact CZ-CD2 3.95Å; F151-F194 HydrophobicContact CZ-CD2 3.95Å
152E92.7Very high93.9Very high35 Ų3530.2 Ų30.216%0.16413%0.129CC..SBendtrans-108-49.2171.9-49.1-164151.800111.2R149 D156 T211 K224R149-E152 IonicContact CZ-OE1 2.65Å; R149-E152 VanDerWaalsContact CZ-OE1 3.27Å; R149-E152 IonicContact NH1-OE1 2.78Å; R149-E152 PolarHBondContact NH1-OE1 3.24Å; R149-E152 VanDerWaalsContact NH2-CG 3.28Å; R149-E152 IonicContact NH2-OE1 3.61Å; R149-E152 PolarHBondContact NH2-OE1 3.21Å; R149-E152 IonicContact NH2-OE2 3.2Å; E152-D156 PolarHBondContact N-OD2 2.77Å; E152-T211 WeakPolarHBondContact O-CB 3.45Å; E152-T211 PolarHBondContact O-OG1 3.2Å; E152-K224 HydrophobicContact CB-CD 4.31Å; E152-K224 HydrophobicContact CG-CD 4.43Å; E152-K224 WeakPolarHBondContact OE2-CD 3.49Å
153F95.7Very high93.6Very high0 Ų030 Ų300%013%0.131CC..SBendtrans-126.9167.5178.3-57.3-73.2000111.4F151 V155 D156 I209 D210 I217 K224 Y225 L228 W242 M249F151-F153 VanDerWaalsContact CD2-O 3.27Å; F151-F153 WeakPolarHBondContact CD2-O 3.46Å; F153-V155 HydrophobicContact CB-CG2 4.08Å; F153-V155 PolarHBondContact O-N 3.27Å; F153-D156 VanDerWaalsContact CA-OD1 3.23Å; F153-D156 WeakPolarHBondContact CA-OD1 3.28Å; F153-D156 WeakPolarHBondContact CB-OD1 3.21Å; F153-D156 PolarHBondContact N-OD1 2.9Å; F153-D156 PolarHBondContact O-N 3.19Å; F153-I209 HydrophobicContact CB-CG2 4.44Å; F153-I209 HydrophobicContact CD1-CG2 3.4Å; F153-I209 VanDerWaalsContact CD1-CG2 3.4Å; F153-I209 HydrophobicContact CE1-CG2 3.79Å; F153-I209 HydrophobicContact CG-CG2 3.94Å; F153-D210 CarbonylContact C-O 3.49Å; F153-D210 WeakPolarHBondContact CA-O 3.28Å; F153-D210 WeakPolarHBondContact CB-O 3.38Å; F153-I217 HydrophobicContact CE1-CD1 4.06Å; F153-I217 HydrophobicContact CZ-CD1 4.17Å; F153-K224 HydrophobicContact CD2-CD 4.03Å; F153-K224 HydrophobicContact CD2-CG 4.13Å; F153-K224 HydrophobicContact CE2-CB 4.09Å; F153-K224 HydrophobicContact CE2-CD 4.16Å; F153-K224 HydrophobicContact CE2-CG 3.97Å; F153-Y225 HydrophobicContact CE1-CD2 4.36Å; F153-Y225 HydrophobicContact CZ-CD2 4.34Å; F153-L228 HydrophobicContact CB-CD1 4.42Å; F153-L228 HydrophobicContact CD2-CD1 3.73Å; F153-L228 HydrophobicContact CE2-CD1 4.23Å; F153-L228 HydrophobicContact CG-CD1 4.05Å; F153-W242 HydrophobicContact CD1-CH2 4.4Å; F153-W242 HydrophobicContact CE1-CH2 4.22Å; F153-W242 HydrophobicContact CE1-CZ3 4.42Å; F153-M249 HydrophobicContact CE1-SD 4.44Å; F153-M249 HydrophobicContact CZ-SD 4.01Å
154S95.5Very high93Very high0 Ų035 Ų350%016%0.157CC..G310 helixtrans-62.1-33.7177.557.30000112.1D156 S157 H203 D210S154-D156 VanDerWaalsContact C-N 3.25Å; S154-D156 PolarHBondContact O-N 3.48Å; S154-S157 WeakPolarHBondContact O-CB 3.49Å; S154-S157 PolarHBondContact O-N 3.3Å; S154-S157 PolarHBondContact O-OG 3.11Å; S154-H203 WeakPolarHBondContact CB-ND1 3.26Å; S154-H203 WeakPolarHBondContact OG-CB 3.36Å; S154-H203 PolarHBondContact OG-ND1 2.72Å; S154-D210 PolarHBondContact N-O 3.38Å
155V94.6Very high92.4Very high8 Ų834.8 Ų34.85%0.04816%0.156CC..G310 helixtrans-71.8-16-174-600000113.9S53 F153 H203 L204 L208 L228 Y233S53-V155 WeakPolarHBondContact CB-O 3.18Å; S53-V155 PolarHBondContact OG-O 3.17Å; F153-V155 HydrophobicContact CB-CG2 4.08Å; F153-V155 PolarHBondContact O-N 3.27Å; V155-H203 HydrophobicContact CG1-CB 4.25Å; V155-L204 HydrophobicContact CB-CD1 4.33Å; V155-L208 WeakPolarHBondContact CG1-O 3.3Å; V155-L228 HydrophobicContact CG2-CD1 3.97Å; V155-L228 HydrophobicContact CG2-CD2 4Å; V155-Y233 HydrophobicContact CB-CE1 4.39Å; V155-Y233 HydrophobicContact CG1-CD1 4.31Å; V155-Y233 HydrophobicContact CG1-CE1 3.89Å
156D92.3Very high91.9Very high15 Ų1532.2 Ų32.28%0.0814%0.144CC..G310 helixtrans-118.219.8175.968.3-52.2000112.4E152 F153 S154 K224E152-D156 PolarHBondContact N-OD2 2.77Å; F153-D156 VanDerWaalsContact CA-OD1 3.23Å; F153-D156 WeakPolarHBondContact CA-OD1 3.28Å; F153-D156 WeakPolarHBondContact CB-OD1 3.21Å; F153-D156 PolarHBondContact N-OD1 2.9Å; F153-D156 PolarHBondContact O-N 3.19Å; S154-D156 VanDerWaalsContact C-N 3.25Å; S154-D156 PolarHBondContact O-N 3.48Å; D156-K224 IonicContact OD1-NZ 3.56Å; D156-K224 WeakPolarHBondContact OD2-CE 3.33Å; D156-K224 IonicContact OD2-NZ 2.81Å; D156-K224 PolarHBondContact OD2-NZ 3.43Å
157S94.2Very high91.5Very high0 Ų030.3 Ų30.30%014%0.143CC..  trans-932.9-175.870.90000114.4S154 S192 V193 F194S154-S157 WeakPolarHBondContact O-CB 3.49Å; S154-S157 PolarHBondContact O-N 3.3Å; S154-S157 PolarHBondContact O-OG 3.11Å; S157-S192 CarbonylContact O-C 3.46Å; S157-S192 WeakPolarHBondContact O-CA 3.3Å; S157-S192 PolarHBondContact OG-OG 3.39Å; S157-V193 VanDerWaalsContact O-CG2 3.26Å; S157-V193 WeakPolarHBondContact O-CG2 3.4Å; S157-V193 PolarHBondContact O-N 3.15Å; S157-F194 WeakPolarHBondContact OG-CB 3.39Å
158F94.7Very high91Very high0 Ų032.6 Ų32.60%016%0.155CC..EExtended strand (participates in β ladder)trans-83.3134.2-173.7-58.1-77.1000112N48 A52 L56 E191 F197 A200 L204N48-F158 PolarHBondContact OD1-O 3.25Å; A52-F158 HydrophobicContact CB-CB 4.1Å; A52-F158 WeakPolarHBondContact CB-O 3.22Å; L56-F158 HydrophobicContact CD1-CB 3.51Å; L56-F158 HydrophobicContact CD1-CD1 3.49Å; L56-F158 VanDerWaalsContact CD1-CD1 3.49Å; L56-F158 HydrophobicContact CD1-CD2 4.07Å; L56-F158 HydrophobicContact CD1-CE1 4.18Å; L56-F158 HydrophobicContact CD1-CG 3.41Å; L56-F158 VanDerWaalsContact CD1-CG 3.41Å; F158-E191 CarbonylContact C-O 3.51Å; F158-E191 WeakPolarHBondContact CA-O 3.36Å; F158-F197 HydrophobicContact CD1-CD2 4.22Å; F158-F197 AromaticContact CD1-CE2 3.75Å; F158-F197 HydrophobicContact CD1-CE2 3.75Å; F158-F197 HydrophobicContact CE1-CD2 4.22Å; F158-F197 AromaticContact CE1-CE2 3.85Å; F158-F197 HydrophobicContact CE1-CE2 3.85Å; F158-F197 HydrophobicContact CE1-CZ 4.35Å; F158-A200 HydrophobicContact CE1-CB 3.93Å; F158-A200 HydrophobicContact CZ-CB 3.81Å; F158-L204 HydrophobicContact CD2-CD2 4.37Å; F158-L204 HydrophobicContact CE2-CB 4.05Å; F158-L204 HydrophobicContact CE2-CD2 3.7Å; F158-L204 HydrophobicContact CE2-CG 4.33Å; F158-L204 HydrophobicContact CZ-CB 4.21Å; F158-L204 HydrophobicContact CZ-CD2 4.14Å
159Q95.4Very high90.6Very high3 Ų326.5 Ų26.51%0.01413%0.133CC..EExtended strand (participates in β ladder)trans-124121.4172.6-62.2-176.910.300109.8K46 M47 N48 V190 E191 V193K46-Q159 HydrophobicContact CB-CB 4.4Å; K46-Q159 HydrophobicContact CD-CB 4.06Å; M47-Q159 CarbonylContact O-C 3.58Å; M47-Q159 VanDerWaalsContact O-CA 3.3Å; M47-Q159 WeakPolarHBondContact O-CA 3.47Å; N48-Q159 HydrophobicContact CB-CG 4.43Å; Q159-V190 WeakPolarHBondContact O-CA 3.39Å; Q159-E191 HydrophobicContact CB-CG 3.93Å; Q159-E191 PolarHBondContact N-O 2.83Å; Q159-E191 PolarHBondContact O-N 3.03Å; Q159-E191 PolarHBondContact OE1-OE1 3.24Å; Q159-V193 HydrophobicContact CG-CG1 4.4Å
160I94.3Very high90.4Very high1 Ų127.1 Ų27.11%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-98.2119.4177.7-57.7172.9000108M1 K46 M47 A52 I55 L162 V188 V190M1-I160 HydrophobicContact SD-CG2 3.9Å; K46-I160 CarbonylContact C-O 3.52Å; K46-I160 WeakPolarHBondContact CA-O 3.24Å; M47-I160 HydrophobicContact CB-CB 4.32Å; M47-I160 PolarHBondContact N-O 3.46Å; M47-I160 PolarHBondContact O-N 3.38Å; A52-I160 HydrophobicContact CB-CD1 4.01Å; A52-I160 HydrophobicContact CB-CG1 4.11Å; I55-I160 HydrophobicContact CB-CD1 3.92Å; I55-I160 HydrophobicContact CD1-CD1 3.8Å; I55-I160 HydrophobicContact CG1-CD1 4.47Å; I55-I160 HydrophobicContact CG2-CD1 3.74Å; I160-L162 HydrophobicContact CG2-CD2 4.13Å; I160-L162 PolarHBondContact O-N 2.86Å; I160-V188 HydrophobicContact CG2-CG1 3.57Å; I160-V190 HydrophobicContact CG1-CG1 4.1Å; I160-V190 HydrophobicContact CG1-CG2 4.17Å; I160-V190 HydrophobicContact CG2-CG2 4.37Å
161H93.7Very high90.2Very high17 Ų1730 Ų308%0.07916%0.159CC..EExtended strand (participates in β ladder)trans-78.5117.2-178.9-69.9-123.7000110.6E44 K46 V188 L189 E191E44-H161 IonicContact OE1-CE1 3.95Å; E44-H161 IonicContact OE1-ND1 2.67Å; E44-H161 PolarHBondContact OE1-ND1 3.35Å; E44-H161 IonicContact OE2-CE1 2.65Å; E44-H161 IonicContact OE2-ND1 3.45Å; K46-H161 WeakPolarHBondContact CE-CE1 3.09Å; K46-H161 PolarHBondContact NZ-CE1 3.29Å; H161-V188 WeakPolarHBondContact O-CG1 3.02Å; H161-L189 HydrophobicContact CB-CB 4.06Å; H161-L189 WeakPolarHBondContact CB-O 3.36Å; H161-L189 PolarHBondContact CD2-O 3.38Å; H161-L189 PolarHBondContact N-O 3.31Å; H161-E191 IonicContact NE2-OE1 3.26Å; H161-E191 PolarHBondContact NE2-OE1 2.99Å; H161-E191 IonicContact NE2-OE2 3.99Å
162L92.9Very high89.7Confident0 Ų031.7 Ų31.70%017%0.17CC..  trans-95.6-16.9-173.8-57.5179.8000113.6M5 V45 M47 L68 I160 N164 L165 L166M5-L162 HydrophobicContact CE-CD1 4.01Å; M5-L162 HydrophobicContact SD-CD1 3.82Å; M5-L162 HydrophobicContact SD-CD2 4.11Å; V45-L162 HydrophobicContact CG1-CD1 4.3Å; V45-L162 PolarHBondContact O-N 3.16Å; M47-L162 HydrophobicContact CB-CD1 4.12Å; M47-L162 HydrophobicContact CB-CD2 4.4Å; M47-L162 HydrophobicContact CB-CG 4.4Å; L68-L162 HydrophobicContact CD2-CD1 4Å; I160-L162 HydrophobicContact CG2-CD2 4.13Å; I160-L162 PolarHBondContact O-N 2.86Å; L162-N164 PolarHBondContact O-N 3.28Å; L162-L165 HydrophobicContact CD2-CD2 4.43Å; L162-L165 WeakPolarHBondContact O-CB 3.36Å; L162-L165 PolarHBondContact O-N 3Å; L162-L166 HydrophobicContact CB-CD1 3.91Å; L162-L166 HydrophobicContact CB-CG 4.34Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.34Å; L162-L166 PolarHBondContact O-N 3Å
163T90.3Very high89Confident35 Ų3539.1 Ų39.122%0.21520%0.204CC..Hα-helixtrans-55.1-51.2-171.4-60.20000113.3E44 V45 L165 L166 N167E44-T163 WeakPolarHBondContact CA-OG1 3.45Å; V45-T163 PolarHBondContact N-OG1 2.95Å; T163-L165 VanDerWaalsContact C-N 3.33Å; T163-L165 PolarHBondContact O-N 2.93Å; T163-L166 PolarHBondContact O-N 2.98Å; T163-N167 VanDerWaalsContact O-CG 3.25Å; T163-N167 PolarHBondContact O-N 3.45Å; T163-N167 PolarHBondContact O-OD1 3.5Å
164N85.4Confident88.2Confident103 Ų10345.5 Ų45.555%0.55123%0.234SC*.Hα-helixtrans-64.9-39.9-179.6-69.4-5.9000111.9L162 L166 N167 I168L162-N164 PolarHBondContact O-N 3.28Å; N164-L166 VanDerWaalsContact C-N 3.34Å; N164-L166 PolarHBondContact O-N 3.26Å; N164-N167 PolarHBondContact O-N 3.23Å; N164-I168 WeakPolarHBondContact O-CG1 3.37Å; N164-I168 PolarHBondContact O-N 3.24Å; N164-I168 VanDerWaalsContact O-N 3.1Å
165L85.6Confident87.4Confident14 Ų1445.8 Ų45.87%0.07324%0.235CC..Hα-helixtrans-60.1-45.5176.6-175.173.1000111.1M1 L162 T163 A169 F175 V186 V188M1-L165 HydrophobicContact CE-CD2 4.46Å; M1-L165 HydrophobicContact CG-CD2 4.41Å; M1-L165 HydrophobicContact SD-CD2 4.02Å; L162-L165 HydrophobicContact CD2-CD2 4.43Å; L162-L165 WeakPolarHBondContact O-CB 3.36Å; L162-L165 PolarHBondContact O-N 3Å; T163-L165 VanDerWaalsContact C-N 3.33Å; T163-L165 PolarHBondContact O-N 2.93Å; L165-A169 WeakPolarHBondContact O-CB 3.26Å; L165-A169 PolarHBondContact O-N 3.49Å; L165-F175 HydrophobicContact CD1-CE2 4.26Å; L165-F175 HydrophobicContact CD1-CZ 3.58Å; L165-F175 HydrophobicContact CG-CZ 4.44Å; L165-V186 HydrophobicContact CD1-CB 4.49Å; L165-V188 HydrophobicContact CB-CG2 4.49Å; L165-V188 HydrophobicContact CD1-CG2 4.2Å
166L86.4Confident86.3Confident3 Ų346.7 Ų46.72%0.01625%0.246CC..Hα-helixtrans-66.6-43.7-179.8-69.3163.6000111.9M5 R25 V28 L162 T163 N164 A169 N170M5-L166 HydrophobicContact CE-CD2 3.94Å; R25-L166 HydrophobicContact CG-CD2 4.11Å; V28-L166 HydrophobicContact CB-CD1 4.43Å; V28-L166 HydrophobicContact CG1-CD1 3.47Å; V28-L166 VanDerWaalsContact CG1-CD1 3.47Å; V28-L166 HydrophobicContact CG1-CD2 4.49Å; L162-L166 HydrophobicContact CB-CD1 3.91Å; L162-L166 HydrophobicContact CB-CG 4.34Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.34Å; L162-L166 PolarHBondContact O-N 3Å; T163-L166 PolarHBondContact O-N 2.98Å; N164-L166 VanDerWaalsContact C-N 3.34Å; N164-L166 PolarHBondContact O-N 3.26Å; L166-A169 PolarHBondContact O-N 3Å; L166-N170 WeakPolarHBondContact O-CB 3.41Å; L166-N170 PolarHBondContact O-N 3.05Å; L166-N170 PolarHBondContact O-ND2 3.26Å; L166-N170 PolarHBondContact O-OD1 2.96Å
167N86.2Confident85.6Confident83 Ų8349 Ų4944%0.44427%0.267SS..Hα-helixtrans-58.9-52.3177.9-68.5-11.6000110.8T163 N164 A169 N170 D171T163-N167 VanDerWaalsContact O-CG 3.25Å; T163-N167 PolarHBondContact O-N 3.45Å; T163-N167 PolarHBondContact O-OD1 3.5Å; N164-N167 PolarHBondContact O-N 3.23Å; N167-A169 PolarHBondContact O-N 3.3Å; N167-N170 PolarHBondContact O-N 2.83Å; N167-D171 PolarHBondContact O-N 3.26Å
168I82.7Confident84.8Confident66 Ų6649.8 Ų49.834%0.33827%0.274SS..Hα-helixtrans-64-43.7-179.2-65.4168.9000110.8N164 N170 D171 D172 F175 V186N164-I168 WeakPolarHBondContact O-CG1 3.37Å; N164-I168 PolarHBondContact O-N 3.24Å; N164-I168 VanDerWaalsContact O-N 3.1Å; I168-N170 PolarHBondContact O-N 2.86Å; I168-D171 PolarHBondContact O-N 3.03Å; I168-D172 WeakPolarHBondContact O-CB 3.4Å; I168-D172 PolarHBondContact O-N 3.49Å; I168-F175 HydrophobicContact CG2-CD2 3.93Å; I168-F175 HydrophobicContact CG2-CE2 4.25Å; I168-V186 HydrophobicContact CB-CG2 4.05Å; I168-V186 HydrophobicContact CD1-CB 4.2Å; I168-V186 HydrophobicContact CD1-CG1 3.67Å; I168-V186 HydrophobicContact CD1-CG2 3.44Å; I168-V186 VanDerWaalsContact CD1-CG2 3.44Å; I168-V186 HydrophobicContact CG1-CG2 4.33Å; I168-V186 HydrophobicContact CG2-CG2 3.68Å
169A82.2Confident83.9Confident7 Ų751.3 Ų51.36%0.05828%0.282CS..Hα-helixtrans-62.4-32179.400000112.6R25 L165 L166 N167 F175R25-A169 PolarHBondContact NH2-O 2.94Å; L165-A169 WeakPolarHBondContact O-CB 3.26Å; L165-A169 PolarHBondContact O-N 3.49Å; L166-A169 PolarHBondContact O-N 3Å; N167-A169 PolarHBondContact O-N 3.3Å; A169-F175 HydrophobicContact CB-CD1 3.45Å; A169-F175 VanDerWaalsContact CB-CD1 3.45Å; A169-F175 HydrophobicContact CB-CD2 4.37Å; A169-F175 HydrophobicContact CB-CE1 3.64Å; A169-F175 HydrophobicContact CB-CG 3.86Å; A169-F175 HydrophobicContact CB-CZ 4.19Å
170N83.4Confident82.9Confident74 Ų7456 Ų5640%0.39632%0.315SS..Hα-helixtrans-81.2-30.3179.3-67.1-17000112.7R25 N29 L166 N167 I168R25-N170 PolarHBondContact NH2-OD1 2.72Å; N29-N170 PolarHBondContact ND2-ND2 3.05Å; N29-N170 PolarHBondContact ND2-OD1 3.43Å; N29-N170 PolarHBondContact OD1-ND2 3.33Å; L166-N170 WeakPolarHBondContact O-CB 3.41Å; L166-N170 PolarHBondContact O-N 3.05Å; L166-N170 PolarHBondContact O-ND2 3.26Å; L166-N170 PolarHBondContact O-OD1 2.96Å; N167-N170 PolarHBondContact O-N 2.83Å; I168-N170 PolarHBondContact O-N 2.86Å
171D84.2Confident82.1Confident143 Ų14358.7 Ų58.777%0.76534%0.337SS*.Hα-helixtrans-85.6-24.9179.8-68.2-18.8000112.9N167 I168N167-D171 PolarHBondContact O-N 3.26Å; I168-D171 PolarHBondContact O-N 3.03Å
172D81.4Confident80.9Confident59 Ų5959.5 Ų59.532%0.31635%0.35SS..  trans-112.4104.6-178.6-1755.7000112.3I168 H174 F175I168-D172 WeakPolarHBondContact O-CB 3.4Å; I168-D172 PolarHBondContact O-N 3.49Å; D172-H174 PolarHBondContact O-N 2.87Å; D172-H174 VanDerWaalsContact O-N 3.16Å; D172-H174 WeakPolarHBondContact OD1-CA 3.1Å; D172-H174 WeakPolarHBondContact OD1-CB 3.37Å; D172-H174 IonicContact OD1-CG 2.71Å; D172-H174 PolarHBondContact OD1-N 3.36Å; D172-H174 IonicContact OD1-ND1 2.88Å; D172-F175 HydrophobicContact CB-CB 4.23Å; D172-F175 WeakPolarHBondContact O-CB 3.41Å; D172-F175 PolarHBondContact O-N 3.5Å
173E77.9Confident79.9Confident190 Ų19064.1 Ų64.189%0.88837%0.372SS*.THydrogen-bonded Turntrans-59.1-24.5174.8-65.1-171.9167.300113F175E173-F175 VanDerWaalsContact C-N 3.34Å
174H79Confident78.7Confident134 Ų13463.7 Ų63.762%0.6237%0.37SS*.THydrogen-bonded Turntrans-85.3-6.4178.5-57.984000112.9D172 G176 A177 A178D172-H174 PolarHBondContact O-N 2.87Å; D172-H174 VanDerWaalsContact O-N 3.16Å; D172-H174 WeakPolarHBondContact OD1-CA 3.1Å; D172-H174 WeakPolarHBondContact OD1-CB 3.37Å; D172-H174 IonicContact OD1-CG 2.71Å; D172-H174 PolarHBondContact OD1-N 3.36Å; D172-H174 IonicContact OD1-ND1 2.88Å; H174-G176 VanDerWaalsContact C-N 3.29Å; H174-G176 PolarHBondContact O-N 3.04Å; H174-A177 WeakPolarHBondContact O-CA 3.3Å; H174-A177 WeakPolarHBondContact O-CB 3.24Å; H174-A177 PolarHBondContact O-N 2.73Å; H174-A178 PolarHBondContact O-N 2.91Å
175F77.9Confident77.8Confident6 Ų662.1 Ų62.13%0.02637%0.365CS..Hα-helixtrans-54-45.2-177.6-179.1-94.7000112.4L165 I168 A169 D172 E173 A177 A178 I179 P185 V186L165-F175 HydrophobicContact CD1-CE2 4.26Å; L165-F175 HydrophobicContact CD1-CZ 3.58Å; L165-F175 HydrophobicContact CG-CZ 4.44Å; I168-F175 HydrophobicContact CG2-CD2 3.93Å; I168-F175 HydrophobicContact CG2-CE2 4.25Å; A169-F175 HydrophobicContact CB-CD1 3.45Å; A169-F175 VanDerWaalsContact CB-CD1 3.45Å; A169-F175 HydrophobicContact CB-CD2 4.37Å; A169-F175 HydrophobicContact CB-CE1 3.64Å; A169-F175 HydrophobicContact CB-CG 3.86Å; A169-F175 HydrophobicContact CB-CZ 4.19Å; D172-F175 HydrophobicContact CB-CB 4.23Å; D172-F175 WeakPolarHBondContact O-CB 3.41Å; D172-F175 PolarHBondContact O-N 3.5Å; E173-F175 VanDerWaalsContact C-N 3.34Å; F175-A177 VanDerWaalsContact C-N 3.33Å; F175-A177 PolarHBondContact O-N 2.96Å; F175-A178 PolarHBondContact O-N 3.38Å; F175-I179 HydrophobicContact CD1-CG1 4.19Å; F175-I179 HydrophobicContact CE1-CD1 4.34Å; F175-I179 HydrophobicContact CE1-CG1 3.76Å; F175-I179 HydrophobicContact CE2-CD1 4.35Å; F175-I179 HydrophobicContact CE2-CG1 4.31Å; F175-I179 HydrophobicContact CZ-CD1 3.91Å; F175-I179 HydrophobicContact CZ-CG1 3.81Å; F175-I179 VanDerWaalsContact O-CG1 3.29Å; F175-I179 WeakPolarHBondContact O-CG1 3.46Å; F175-I179 PolarHBondContact O-N 3.28Å; F175-P185 HydrophobicContact CD2-CG 3.72Å; F175-P185 HydrophobicContact CE2-CG 3.76Å; F175-V186 HydrophobicContact CE2-CG2 3.81Å
176G73.3Confident77.2Confident28 Ų2861.9 Ų61.929%0.28936%0.364SS..Hα-helixtrans-64.6-36.1178.300000113.1H174 S180H174-G176 VanDerWaalsContact C-N 3.29Å; H174-G176 PolarHBondContact O-N 3.04Å; G176-S180 WeakPolarHBondContact O-CB 3.41Å; G176-S180 PolarHBondContact O-N 3.48Å; G176-S180 PolarHBondContact O-OG 3.33Å
177A76.2Confident76.8Confident62 Ų6266 Ų6651%0.51238%0.384SS..Hα-helixtrans-70.8-41.5176.100000111.5H174 F175 S180 A181H174-A177 WeakPolarHBondContact O-CA 3.3Å; H174-A177 WeakPolarHBondContact O-CB 3.24Å; H174-A177 PolarHBondContact O-N 2.73Å; F175-A177 VanDerWaalsContact C-N 3.33Å; F175-A177 PolarHBondContact O-N 2.96Å; A177-S180 PolarHBondContact O-N 3.45Å; A177-A181 WeakPolarHBondContact O-CB 3.43Å; A177-A181 PolarHBondContact O-N 3.15Å
178A77.9Confident76.7Confident17 Ų1762.3 Ų62.314%0.1436%0.364CS..Hα-helixtrans-58.7-50.6175.300000110.7H174 F175 S180 A181 G182 E183 P185H174-A178 PolarHBondContact O-N 2.91Å; F175-A178 PolarHBondContact O-N 3.38Å; A178-S180 VanDerWaalsContact C-N 3.33Å; A178-S180 PolarHBondContact O-N 3.32Å; A178-A181 CarbonylContact O-C 3.53Å; A178-A181 WeakPolarHBondContact O-CA 3.42Å; A178-A181 WeakPolarHBondContact O-CB 3.29Å; A178-A181 PolarHBondContact O-N 3.27Å; A178-G182 PolarHBondContact O-N 2.84Å; A178-E183 CarbonylContact C-O 3.53Å; A178-E183 HydrophobicContact CB-CB 4.15Å; A178-E183 CarbonylContact O-C 3.37Å; A178-E183 WeakPolarHBondContact O-CA 3.4Å; A178-E183 WeakPolarHBondContact O-CB 3.31Å; A178-E183 PolarHBondContact O-N 3.04Å; A178-E183 VanDerWaalsContact O-O 3.05Å; A178-P185 HydrophobicContact CB-CG 4.35Å
179I75.9Confident77.1Confident33 Ų3360.7 Ų60.717%0.16936%0.356CS..Hα-helixtrans-60.9-43.1178.3-63.2-71.8000111.4H2 F175 A181 G182 E183 C184H2-I179 HydrophobicContact CB-CG2 3.67Å; F175-I179 HydrophobicContact CD1-CG1 4.19Å; F175-I179 HydrophobicContact CE1-CD1 4.34Å; F175-I179 HydrophobicContact CE1-CG1 3.76Å; F175-I179 HydrophobicContact CE2-CD1 4.35Å; F175-I179 HydrophobicContact CE2-CG1 4.31Å; F175-I179 HydrophobicContact CZ-CD1 3.91Å; F175-I179 HydrophobicContact CZ-CG1 3.81Å; F175-I179 VanDerWaalsContact O-CG1 3.29Å; F175-I179 WeakPolarHBondContact O-CG1 3.46Å; F175-I179 PolarHBondContact O-N 3.28Å; I179-A181 PolarHBondContact O-N 3.17Å; I179-G182 PolarHBondContact O-N 2.65Å; I179-E183 WeakPolarHBondContact CA-O 3.47Å; I179-E183 PolarHBondContact N-O 3.15Å; I179-C184 HydrophobicContact CD1-CB 4.43Å
180S73.4Confident77.6Confident102 Ų10260.4 Ų60.471%0.71335%0.353SS*.Hα-helixtrans-63.9-28.5176.9-57.70000112.6G176 A177 A178 G182G176-S180 WeakPolarHBondContact O-CB 3.41Å; G176-S180 PolarHBondContact O-N 3.48Å; G176-S180 PolarHBondContact O-OG 3.33Å; A177-S180 PolarHBondContact O-N 3.45Å; A178-S180 VanDerWaalsContact C-N 3.33Å; A178-S180 PolarHBondContact O-N 3.32Å; S180-G182 PolarHBondContact O-N 3.41Å
181A77.6Confident78Confident57 Ų5758.7 Ų58.747%0.47134%0.343SS..THydrogen-bonded Turntrans-82.64.6173.400000113.5A177 A178 I179 E183 K387A177-A181 WeakPolarHBondContact O-CB 3.43Å; A177-A181 PolarHBondContact O-N 3.15Å; A178-A181 CarbonylContact O-C 3.53Å; A178-A181 WeakPolarHBondContact O-CA 3.42Å; A178-A181 WeakPolarHBondContact O-CB 3.29Å; A178-A181 PolarHBondContact O-N 3.27Å; I179-A181 PolarHBondContact O-N 3.17Å; A181-E183 PolarHBondContact O-N 3.06Å; A181-K387 WeakPolarHBondContact O-CE 3.14Å
182G70.3Confident78.5Confident34 Ų3452.2 Ų52.235%0.35131%0.309SS..THydrogen-bonded Turntrans76.84.4-175.800000114A178 I179 S180 C184 K387A178-G182 PolarHBondContact O-N 2.84Å; I179-G182 PolarHBondContact O-N 2.65Å; S180-G182 PolarHBondContact O-N 3.41Å; G182-C184 PolarHBondContact O-N 2.96Å; G182-K387 VanDerWaalsContact O-CA 3.26Å; G182-K387 WeakPolarHBondContact O-CA 3.33Å; G182-K387 VanDerWaalsContact O-CB 3.25Å; G182-K387 WeakPolarHBondContact O-CB 3.33Å; G182-K387 WeakPolarHBondContact O-CG 3.42Å
183E70.3Confident79.1Confident97 Ų9751 Ų5145%0.45330%0.303SS..  trans-84.3104.8174.8-67173.4-172.500107.9A178 I179 A181 P185 K387A178-E183 CarbonylContact C-O 3.53Å; A178-E183 HydrophobicContact CB-CB 4.15Å; A178-E183 CarbonylContact O-C 3.37Å; A178-E183 WeakPolarHBondContact O-CA 3.4Å; A178-E183 WeakPolarHBondContact O-CB 3.31Å; A178-E183 PolarHBondContact O-N 3.04Å; A178-E183 VanDerWaalsContact O-O 3.05Å; I179-E183 WeakPolarHBondContact CA-O 3.47Å; I179-E183 PolarHBondContact N-O 3.15Å; A181-E183 PolarHBondContact O-N 3.06Å; E183-P185 VanDerWaalsContact O-CD 3.24Å; E183-P185 WeakPolarHBondContact O-CD 3.45Å; E183-K387 HydrophobicContact CG-CD 3.74Å; E183-K387 VanDerWaalsContact CG-NZ 3.3Å; E183-K387 IonicContact OE1-NZ 3.25Å; E183-K387 PolarHBondContact OE1-NZ 3.34Å
184C66.5Low79.8Confident26 Ų2642.2 Ų42.218%0.17626%0.262CS..  trans-85.5106.4167.6-169.30000107.4I179 G182 V186 Y384I179-C184 HydrophobicContact CD1-CB 4.43Å; G182-C184 PolarHBondContact O-N 2.96Å; C184-V186 PolarHBondContact O-N 3.03Å; C184-V186 PolarHBondContact SG-O 2.91Å; C184-V186 VanDerWaalsContact SG-O 3.33Å; C184-Y384 HydrophobicContact CB-CE2 4.12Å; C184-Y384 WeakPolarHBondContact O-CE2 3.37Å; C184-Y384 PolarHBondContact O-OH 3.32Å
185P66Low80.4Confident70 Ų7037.2 Ų37.246%0.45525%0.247SC..  trans-834.7-174.828.3-21.2000112.4F175 A178 E183F175-P185 HydrophobicContact CD2-CG 3.72Å; F175-P185 HydrophobicContact CE2-CG 3.76Å; A178-P185 HydrophobicContact CB-CG 4.35Å; E183-P185 VanDerWaalsContact O-CD 3.24Å; E183-P185 WeakPolarHBondContact O-CD 3.45Å
186V73.3Confident81.1Confident8 Ų840.3 Ų40.35%0.04826%0.264CS..  trans-138.7134.7-164.4-174.20000112L165 I168 F175 C184 V188L165-V186 HydrophobicContact CD1-CB 4.49Å; I168-V186 HydrophobicContact CB-CG2 4.05Å; I168-V186 HydrophobicContact CD1-CB 4.2Å; I168-V186 HydrophobicContact CD1-CG1 3.67Å; I168-V186 HydrophobicContact CD1-CG2 3.44Å; I168-V186 VanDerWaalsContact CD1-CG2 3.44Å; I168-V186 HydrophobicContact CG1-CG2 4.33Å; I168-V186 HydrophobicContact CG2-CG2 3.68Å; F175-V186 HydrophobicContact CE2-CG2 3.81Å; C184-V186 PolarHBondContact O-N 3.03Å; C184-V186 PolarHBondContact SG-O 2.91Å; C184-V186 VanDerWaalsContact SG-O 3.33Å; V186-V188 HydrophobicContact CG1-CG2 4.41Å
187E78.4Confident82.1Confident91 Ų9139.6 Ų39.643%0.42525%0.253SS..  trans-83.8134.8167.5-55.2-174.1145.500109.8L382 Y384E187-L382 HydrophobicContact CB-CD1 4.49Å; E187-L382 HydrophobicContact CB-CD2 4.2Å; E187-L382 HydrophobicContact CB-CG 4.29Å; E187-L382 WeakPolarHBondContact OE2-CD2 3.26Å; E187-Y384 HydrophobicContact CG-CD2 4.16Å; E187-Y384 HydrophobicContact CG-CG 4.35Å
188V83.9Confident83Confident5 Ų542.4 Ų42.43%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-119.5122-176178.20000109.5M1 I160 H161 L165 V186 V190 L383M1-V188 HydrophobicContact CE-CB 4.21Å; M1-V188 HydrophobicContact CE-CG1 4.39Å; M1-V188 HydrophobicContact CE-CG2 3.73Å; M1-V188 HydrophobicContact SD-CG1 4.07Å; M1-V188 HydrophobicContact SD-CG2 4.31Å; I160-V188 HydrophobicContact CG2-CG1 3.57Å; H161-V188 WeakPolarHBondContact O-CG1 3.02Å; L165-V188 HydrophobicContact CB-CG2 4.49Å; L165-V188 HydrophobicContact CD1-CG2 4.2Å; V186-V188 HydrophobicContact CG1-CG2 4.41Å; V188-V190 PolarHBondContact O-N 2.96Å; V188-L383 CarbonylContact C-O 3.58Å; V188-L383 PolarHBondContact N-O 3.37Å; V188-L383 PolarHBondContact O-N 3.2Å
189L89.9Confident83.8Confident32 Ų3244.6 Ų44.617%0.16827%0.267CS..EExtended strand (participates in β ladder)trans-70.4129.7177.6178.966000110H161 Q380 T381 L382H161-L189 HydrophobicContact CB-CB 4.06Å; H161-L189 WeakPolarHBondContact CB-O 3.36Å; H161-L189 PolarHBondContact CD2-O 3.38Å; H161-L189 PolarHBondContact N-O 3.31Å; L189-Q380 HydrophobicContact CD1-CB 4.18Å; L189-T381 WeakPolarHBondContact CD1-O 3.44Å; L189-L382 HydrophobicContact CB-CD1 3.91Å; L189-L382 HydrophobicContact CD1-CB 4.38Å; L189-L382 HydrophobicContact CD1-CD1 4.21Å
190V92.1Very high84.7Confident0 Ų043 Ų430%026%0.259CS..EExtended strand (participates in β ladder)trans-127127173.7-171.80000108.5L56 Q159 I160 V188 F197 T381 L383L56-V190 HydrophobicContact CD1-CG1 3.78Å; L56-V190 HydrophobicContact CD2-CG1 4.11Å; L56-V190 HydrophobicContact CD2-CG2 4.42Å; Q159-V190 WeakPolarHBondContact O-CA 3.39Å; I160-V190 HydrophobicContact CG1-CG1 4.1Å; I160-V190 HydrophobicContact CG1-CG2 4.17Å; I160-V190 HydrophobicContact CG2-CG2 4.37Å; V188-V190 PolarHBondContact O-N 2.96Å; V190-F197 HydrophobicContact CB-CE2 4.22Å; V190-F197 HydrophobicContact CG1-CE2 3.72Å; V190-F197 HydrophobicContact CG1-CZ 4.42Å; V190-T381 PolarHBondContact N-O 3.31Å; V190-L383 HydrophobicContact CB-CD1 4.02Å; V190-L383 HydrophobicContact CG2-CB 4.35Å; V190-L383 HydrophobicContact CG2-CD1 4.14Å
191E92.8Very high85.7Confident39 Ų3940.8 Ų40.818%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-116.8160.7175.267.5-179.9-177.400111.4K46 F158 Q159 H161K46-E191 IonicContact NZ-OE1 3.02Å; K46-E191 PolarHBondContact NZ-OE1 3.21Å; F158-E191 CarbonylContact C-O 3.51Å; F158-E191 WeakPolarHBondContact CA-O 3.36Å; Q159-E191 HydrophobicContact CB-CG 3.93Å; Q159-E191 PolarHBondContact N-O 2.83Å; Q159-E191 PolarHBondContact O-N 3.03Å; Q159-E191 PolarHBondContact OE1-OE1 3.24Å; H161-E191 IonicContact NE2-OE1 3.26Å; H161-E191 PolarHBondContact NE2-OE1 2.99Å; H161-E191 IonicContact NE2-OE2 3.99Å
192S94.7Very high86.5Confident7 Ų744 Ų445%0.04924%0.236CC..EExtended strand (participates in β ladder)trans-118.5116168.4171.30000108.6S157 F194 G195 A200S157-S192 CarbonylContact O-C 3.46Å; S157-S192 WeakPolarHBondContact O-CA 3.3Å; S157-S192 PolarHBondContact OG-OG 3.39Å; S192-F194 PolarHBondContact O-N 3.3Å; S192-F194 WeakPolarHBondContact OG-CB 3.43Å; S192-F194 PolarHBondContact OG-N 3.25Å; S192-G195 PolarHBondContact O-N 2.97Å; S192-A200 VanDerWaalsContact OG-CB 3.28Å; S192-A200 WeakPolarHBondContact OG-CB 3.36Å
193V93.4Very high87.8Confident33 Ų3342.8 Ų42.820%0.222%0.221CC..THydrogen-bonded Turntrans-72.7-4.4177-66.10000113.1Q150 F151 S157 Q159 G195Q150-V193 HydrophobicContact CB-CB 4.2Å; Q150-V193 HydrophobicContact CB-CG1 4.41Å; Q150-V193 HydrophobicContact CB-CG2 3.89Å; F151-V193 HydrophobicContact CB-CG2 3.84Å; F151-V193 HydrophobicContact CD1-CB 4.19Å; F151-V193 HydrophobicContact CD1-CG2 3.62Å; F151-V193 WeakPolarHBondContact CE1-O 3.43Å; F151-V193 HydrophobicContact CG-CG2 4.06Å; S157-V193 VanDerWaalsContact O-CG2 3.26Å; S157-V193 WeakPolarHBondContact O-CG2 3.4Å; S157-V193 PolarHBondContact O-N 3.15Å; Q159-V193 HydrophobicContact CG-CG1 4.4Å; V193-G195 PolarHBondContact O-N 2.88Å
194F93.5Very high88.9Confident5 Ų538.3 Ų38.32%0.02220%0.201CC..THydrogen-bonded Turntrans-67.5-16.4163.6177.9-106.1000112.3F151 S157 S192 L199 A200 D210 K212F151-F194 HydrophobicContact CE2-CB 4.32Å; F151-F194 AromaticContact CE2-CD2 3.72Å; F151-F194 HydrophobicContact CE2-CD2 3.72Å; F151-F194 HydrophobicContact CZ-CB 4.31Å; F151-F194 AromaticContact CZ-CD2 3.95Å; F151-F194 HydrophobicContact CZ-CD2 3.95Å; S157-F194 WeakPolarHBondContact OG-CB 3.39Å; S192-F194 PolarHBondContact O-N 3.3Å; S192-F194 WeakPolarHBondContact OG-CB 3.43Å; S192-F194 PolarHBondContact OG-N 3.25Å; F194-L199 HydrophobicContact CE1-CD2 3.94Å; F194-L199 HydrophobicContact CE1-CG 4.15Å; F194-A200 HydrophobicContact CB-CB 4.42Å; F194-A200 HydrophobicContact CD1-CB 4.01Å; F194-D210 HydrophobicContact CE2-CB 4.15Å; F194-D210 HydrophobicContact CZ-CB 3.98Å; F194-D210 WeakPolarHBondContact CZ-OD2 3.3Å; F194-K212 HydrophobicContact CD2-CD 4.33Å; F194-K212 HydrophobicContact CD2-CG 4.29Å; F194-K212 HydrophobicContact CE2-CB 4.37Å; F194-K212 HydrophobicContact CE2-CD 4.02Å; F194-K212 HydrophobicContact CE2-CG 3.64Å; F194-K212 HydrophobicContact CZ-CD 4.15Å; F194-K212 HydrophobicContact CZ-CG 3.97Å; F194-K212 WeakPolarHBondContact O-CD 3.35Å; F194-K212 PolarHBondContact O-NZ 2.75Å
195G91.6Very high90.2Very high29 Ų2939.4 Ų39.430%0.29921%0.205SC..SBendtrans103.8-3816900000114.3S192 V193 P378S192-G195 PolarHBondContact O-N 2.97Å; V193-G195 PolarHBondContact O-N 2.88Å; G195-P378 WeakPolarHBondContact O-CB 3.29Å
196D92.8Very high91.6Very high72 Ų7239.9 Ų39.939%0.38520%0.204SC..  trans-110.1108.4173-175.7-27.2000108.9L198 L199 A200D196-L198 PolarHBondContact OD1-N 2.95Å; D196-L199 HydrophobicContact CB-CB 3.84Å; D196-L199 VanDerWaalsContact CG-CB 3.47Å; D196-L199 PolarHBondContact OD1-N 2.91Å; D196-A200 WeakPolarHBondContact O-CB 3.45Å; D196-A200 PolarHBondContact O-N 2.84Å
197F93.5Very high92.7Very high13 Ų1344.6 Ų44.66%0.05722%0.221CC..Hα-helixtrans-63.1-48.9-178179.5-88.9000112.4F158 V190 L199 A200 Y201 T381 L383F158-F197 HydrophobicContact CD1-CD2 4.22Å; F158-F197 AromaticContact CD1-CE2 3.75Å; F158-F197 HydrophobicContact CD1-CE2 3.75Å; F158-F197 HydrophobicContact CE1-CD2 4.22Å; F158-F197 AromaticContact CE1-CE2 3.85Å; F158-F197 HydrophobicContact CE1-CE2 3.85Å; F158-F197 HydrophobicContact CE1-CZ 4.35Å; V190-F197 HydrophobicContact CB-CE2 4.22Å; V190-F197 HydrophobicContact CG1-CE2 3.72Å; V190-F197 HydrophobicContact CG1-CZ 4.42Å; F197-L199 VanDerWaalsContact C-N 3.3Å; F197-L199 PolarHBondContact O-N 3.34Å; F197-A200 PolarHBondContact O-N 2.88Å; F197-Y201 HydrophobicContact CE1-CG 4.47Å; F197-Y201 HydrophobicContact CZ-CD2 4.42Å; F197-Y201 VanDerWaalsContact O-CB 3.27Å; F197-Y201 WeakPolarHBondContact O-CB 3.28Å; F197-Y201 PolarHBondContact O-N 3.35Å; F197-T381 HydrophobicContact CD1-CG2 3.94Å; F197-T381 HydrophobicContact CE1-CG2 4.3Å; F197-T381 HydrophobicContact CG-CG2 4.34Å; F197-L383 HydrophobicContact CE1-CD1 3.87Å; F197-L383 HydrophobicContact CE2-CD1 4.25Å; F197-L383 HydrophobicContact CZ-CD1 3.45Å; F197-L383 VanDerWaalsContact CZ-CD1 3.45Å
198L94.6Very high93.6Very high121 Ų12142 Ų4263%0.63421%0.209SC*.Hα-helixtrans-66.3-37.3-176.2-68177.4000111.1D196 Y201 Y202D196-L198 PolarHBondContact OD1-N 2.95Å; L198-Y201 PolarHBondContact O-N 3Å; L198-Y202 WeakPolarHBondContact O-CB 3.28Å; L198-Y202 PolarHBondContact O-N 3.46Å
199L95.1Very high94.2Very high62 Ų6241.7 Ų41.733%0.32521%0.208SC..Hα-helixtrans-67-45.1175-176.658.9000111.9F194 D196 F197 Y201 Y202 H203F194-L199 HydrophobicContact CE1-CD2 3.94Å; F194-L199 HydrophobicContact CE1-CG 4.15Å; D196-L199 HydrophobicContact CB-CB 3.84Å; D196-L199 VanDerWaalsContact CG-CB 3.47Å; D196-L199 PolarHBondContact OD1-N 2.91Å; F197-L199 VanDerWaalsContact C-N 3.3Å; F197-L199 PolarHBondContact O-N 3.34Å; L199-Y201 VanDerWaalsContact C-N 3.3Å; L199-Y201 PolarHBondContact O-N 3.33Å; L199-Y202 WeakPolarHBondContact O-CB 3.31Å; L199-Y202 PolarHBondContact O-N 2.87Å; L199-H203 WeakPolarHBondContact CD1-NE2 3.39Å; L199-H203 PolarHBondContact O-CD2 3.12Å; L199-H203 VanDerWaalsContact O-CG 3.25Å; L199-H203 PolarHBondContact O-N 2.83Å
200A94.7Very high94.6Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-61.5-41.1175.200000111.6F158 S192 F194 D196 F197 H203 L204F158-A200 HydrophobicContact CE1-CB 3.93Å; F158-A200 HydrophobicContact CZ-CB 3.81Å; S192-A200 VanDerWaalsContact OG-CB 3.28Å; S192-A200 WeakPolarHBondContact OG-CB 3.36Å; F194-A200 HydrophobicContact CB-CB 4.42Å; F194-A200 HydrophobicContact CD1-CB 4.01Å; D196-A200 WeakPolarHBondContact O-CB 3.45Å; D196-A200 PolarHBondContact O-N 2.84Å; F197-A200 PolarHBondContact O-N 2.88Å; A200-H203 WeakPolarHBondContact O-CB 3.3Å; A200-H203 PolarHBondContact O-N 2.91Å; A200-L204 PolarHBondContact O-N 3.09Å
201Y94.6Very high94.7Very high56 Ų5641.3 Ų41.322%0.2221%0.206CC..Hα-helixtrans-63.5-41.8176.3-175.5-101.8000112L56 F197 L198 L199 H203 L204 N205L56-Y201 WeakPolarHBondContact O-CE2 3.27Å; F197-Y201 HydrophobicContact CE1-CG 4.47Å; F197-Y201 HydrophobicContact CZ-CD2 4.42Å; F197-Y201 VanDerWaalsContact O-CB 3.27Å; F197-Y201 WeakPolarHBondContact O-CB 3.28Å; F197-Y201 PolarHBondContact O-N 3.35Å; L198-Y201 PolarHBondContact O-N 3Å; L199-Y201 VanDerWaalsContact C-N 3.3Å; L199-Y201 PolarHBondContact O-N 3.33Å; Y201-H203 VanDerWaalsContact C-N 3.35Å; Y201-L204 PolarHBondContact O-N 3.5Å; Y201-N205 VanDerWaalsContact CE1-ND2 3.35Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.36Å; Y201-N205 VanDerWaalsContact CE2-ND2 3.34Å; Y201-N205 WeakPolarHBondContact CE2-ND2 3Å; Y201-N205 PolarHBondContact O-N 2.96Å; Y201-N205 VanDerWaalsContact O-N 3.11Å; Y201-N205 PolarHBondContact O-ND2 3.12Å
202Y95.3Very high94.6Very high124 Ų12444.8 Ų44.849%0.48622%0.22SC..Hα-helixtrans-59.8-45.3171.6174.5-101.1000111.2L198 L199 L204 N205 N206 L208L198-Y202 WeakPolarHBondContact O-CB 3.28Å; L198-Y202 PolarHBondContact O-N 3.46Å; L199-Y202 WeakPolarHBondContact O-CB 3.31Å; L199-Y202 PolarHBondContact O-N 2.87Å; Y202-L204 PolarHBondContact O-N 2.99Å; Y202-N205 PolarHBondContact O-N 3.39Å; Y202-N206 WeakPolarHBondContact CD2-ND2 3.15Å; Y202-N206 HydrophobicContact CE2-CB 4.37Å; Y202-N206 WeakPolarHBondContact CE2-ND2 3.35Å; Y202-N206 WeakPolarHBondContact O-CB 3.37Å; Y202-N206 PolarHBondContact O-N 3.22Å; Y202-N206 PolarHBondContact O-ND2 3.16Å; Y202-L208 HydrophobicContact CD1-CD1 4.03Å; Y202-L208 HydrophobicContact CE1-CD1 3.43Å; Y202-L208 VanDerWaalsContact CE1-CD1 3.43Å
203H96.2Very high94.2Very high8 Ų848 Ų484%0.03724%0.235CC..Hα-helixtrans-60.5-43.7176.9-66.4166.9000112.7S154 V155 L199 A200 Y201 N205 N206 R207 L208 D210S154-H203 WeakPolarHBondContact CB-ND1 3.26Å; S154-H203 WeakPolarHBondContact OG-CB 3.36Å; S154-H203 PolarHBondContact OG-ND1 2.72Å; V155-H203 HydrophobicContact CG1-CB 4.25Å; L199-H203 WeakPolarHBondContact CD1-NE2 3.39Å; L199-H203 PolarHBondContact O-CD2 3.12Å; L199-H203 VanDerWaalsContact O-CG 3.25Å; L199-H203 PolarHBondContact O-N 2.83Å; A200-H203 WeakPolarHBondContact O-CB 3.3Å; A200-H203 PolarHBondContact O-N 2.91Å; Y201-H203 VanDerWaalsContact C-N 3.35Å; H203-N205 PolarHBondContact O-N 2.68Å; H203-N206 PolarHBondContact O-N 3.07Å; H203-R207 PolarHBondContact O-N 3.38Å; H203-L208 HydrophobicContact CB-CB 4.01Å; H203-L208 PolarHBondContact O-N 3.39Å; H203-D210 WeakPolarHBondContact CE1-CB 3.12Å; H203-D210 IonicContact CE1-OD2 3.88Å; H203-D210 PolarHBondContact CE1-OD2 2.94Å; H203-D210 VanDerWaalsContact CE1-OD2 3.25Å; H203-D210 WeakPolarHBondContact ND1-CB 3.37Å
204L94.4Very high94.1Very high4 Ų448.1 Ų48.12%0.02124%0.236CC..Hα-helixtrans-57.4-50.9177.1-179.964.2000111.3L56 L61 V155 F158 A200 Y201 Y202 N206L56-L204 HydrophobicContact CB-CD2 4.13Å; L61-L204 HydrophobicContact CD1-CD1 3.61Å; L61-L204 HydrophobicContact CD1-CG 4.47Å; V155-L204 HydrophobicContact CB-CD1 4.33Å; F158-L204 HydrophobicContact CD2-CD2 4.37Å; F158-L204 HydrophobicContact CE2-CB 4.05Å; F158-L204 HydrophobicContact CE2-CD2 3.7Å; F158-L204 HydrophobicContact CE2-CG 4.33Å; F158-L204 HydrophobicContact CZ-CB 4.21Å; F158-L204 HydrophobicContact CZ-CD2 4.14Å; A200-L204 PolarHBondContact O-N 3.09Å; Y201-L204 PolarHBondContact O-N 3.5Å; Y202-L204 PolarHBondContact O-N 2.99Å; L204-N206 PolarHBondContact O-N 3.31Å
205N94.2Very high94Very high48 Ų4852.6 Ų52.626%0.25726%0.257SS..Hα-helixtrans-77.7-18.9-174.9-69.7-70000114.1S58 Y201 Y202 H203S58-N205 PolarHBondContact N-OD1 3.39Å; S58-N205 PolarHBondContact OG-OD1 3.18Å; Y201-N205 VanDerWaalsContact CE1-ND2 3.35Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.36Å; Y201-N205 VanDerWaalsContact CE2-ND2 3.34Å; Y201-N205 WeakPolarHBondContact CE2-ND2 3Å; Y201-N205 PolarHBondContact O-N 2.96Å; Y201-N205 VanDerWaalsContact O-N 3.11Å; Y201-N205 PolarHBondContact O-ND2 3.12Å; Y202-N205 PolarHBondContact O-N 3.39Å; H203-N205 PolarHBondContact O-N 2.68Å
206N95.4Very high93.9Very high81 Ų8153.7 Ų53.743%0.43326%0.256SS..THydrogen-bonded Turntrans-106.912.5178.3-66.1-92000113Y202 H203 L204 L208Y202-N206 WeakPolarHBondContact CD2-ND2 3.15Å; Y202-N206 HydrophobicContact CE2-CB 4.37Å; Y202-N206 WeakPolarHBondContact CE2-ND2 3.35Å; Y202-N206 WeakPolarHBondContact O-CB 3.37Å; Y202-N206 PolarHBondContact O-N 3.22Å; Y202-N206 PolarHBondContact O-ND2 3.16Å; H203-N206 PolarHBondContact O-N 3.07Å; L204-N206 PolarHBondContact O-N 3.31Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 HydrophobicContact CB-CD1 4.18Å; N206-L208 HydrophobicContact CB-CG 4.16Å; N206-L208 PolarHBondContact O-N 3.42Å
207R95.8Very high93.9Very high107 Ų10750.3 Ų50.340%0.40424%0.237SC..THydrogen-bonded Turntrans51.548.7-178.8-57.7-175.3178.1-116.7-5.1112.8H203 Q231 Y233 Q234H203-R207 PolarHBondContact O-N 3.38Å; R207-Q231 PolarHBondContact NH1-O 3.46Å; R207-Y233 HydrophobicContact CB-CD1 3.83Å; R207-Y233 HydrophobicContact CB-CD2 4.12Å; R207-Y233 HydrophobicContact CB-CE1 4.07Å; R207-Y233 HydrophobicContact CB-CE2 4.36Å; R207-Y233 HydrophobicContact CB-CG 3.83Å; R207-Y233 HydrophobicContact CG-CD2 4.38Å; R207-Y233 HydrophobicContact CG-CE1 4.37Å; R207-Y233 HydrophobicContact CG-CE2 4.21Å; R207-Y233 CarbonylContact O-C 3.47Å; R207-Y233 WeakPolarHBondContact O-CA 3.47Å; R207-Y233 WeakPolarHBondContact O-CB 3.39Å; R207-Q234 PolarHBondContact O-N 3.38Å
208L97.2Very high93.9Very high35 Ų3555.9 Ų55.918%0.18326%0.258CS..EExtended strand (participates in β ladder)trans-103135.8177.6-59.5172.7000111V155 Y202 H203 N206 Q234 A236V155-L208 WeakPolarHBondContact CG1-O 3.3Å; Y202-L208 HydrophobicContact CD1-CD1 4.03Å; Y202-L208 HydrophobicContact CE1-CD1 3.43Å; Y202-L208 VanDerWaalsContact CE1-CD1 3.43Å; H203-L208 HydrophobicContact CB-CB 4.01Å; H203-L208 PolarHBondContact O-N 3.39Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 HydrophobicContact CB-CD1 4.18Å; N206-L208 HydrophobicContact CB-CG 4.16Å; N206-L208 PolarHBondContact O-N 3.42Å; L208-Q234 CarbonylContact C-O 3.5Å; L208-Q234 VanDerWaalsContact CA-O 3.29Å; L208-Q234 WeakPolarHBondContact CA-O 3.12Å; L208-A236 HydrophobicContact CB-CB 4.32Å
209I97.2Very high93.9Very high0 Ų050.1 Ų50.10%023%0.228CC..EExtended strand (participates in β ladder)trans-94.7124.3173.7-45.2179.5000107.5F153 Y225 L228 L229 Y233 Q234 A236 W242F153-I209 HydrophobicContact CB-CG2 4.44Å; F153-I209 HydrophobicContact CD1-CG2 3.4Å; F153-I209 VanDerWaalsContact CD1-CG2 3.4Å; F153-I209 HydrophobicContact CE1-CG2 3.79Å; F153-I209 HydrophobicContact CG-CG2 3.94Å; I209-Y225 HydrophobicContact CD1-CD2 3.89Å; I209-Y225 HydrophobicContact CD1-CE2 3.79Å; I209-Y225 HydrophobicContact CG2-CD2 4.13Å; I209-Y225 HydrophobicContact CG2-CE2 4.39Å; I209-L228 HydrophobicContact CD1-CB 3.59Å; I209-L228 HydrophobicContact CD1-CD1 4.32Å; I209-L228 HydrophobicContact CG1-CB 4.07Å; I209-L228 HydrophobicContact CG1-CD1 4.23Å; I209-L228 HydrophobicContact CG2-CD1 4.01Å; I209-L229 HydrophobicContact CD1-CD2 3.84Å; I209-L229 HydrophobicContact CD1-CG 4.12Å; I209-Y233 HydrophobicContact CG1-CD1 4.42Å; I209-Y233 HydrophobicContact CG1-CG 4.41Å; I209-Q234 PolarHBondContact N-O 3.41Å; I209-A236 VanDerWaalsContact O-CB 3.28Å; I209-A236 WeakPolarHBondContact O-CB 3.12Å; I209-A236 PolarHBondContact O-N 3.19Å; I209-W242 HydrophobicContact CB-CH2 4.05Å; I209-W242 HydrophobicContact CB-CZ2 4.29Å; I209-W242 HydrophobicContact CG2-CH2 3.51Å; I209-W242 HydrophobicContact CG2-CZ2 4.2Å; I209-W242 HydrophobicContact CG2-CZ3 4.17Å; I209-W242 WeakPolarHBondContact O-CZ2 3.41Å
210D96.9Very high93.8Very high18 Ų1848 Ų4810%0.09622%0.222CC..  trans-138149.4170.3-158.2-4000111.7F153 S154 F194 H203 A236 R241F153-D210 CarbonylContact C-O 3.49Å; F153-D210 WeakPolarHBondContact CA-O 3.28Å; F153-D210 WeakPolarHBondContact CB-O 3.38Å; S154-D210 PolarHBondContact N-O 3.38Å; F194-D210 HydrophobicContact CE2-CB 4.15Å; F194-D210 HydrophobicContact CZ-CB 3.98Å; F194-D210 WeakPolarHBondContact CZ-OD2 3.3Å; H203-D210 WeakPolarHBondContact CE1-CB 3.12Å; H203-D210 IonicContact CE1-OD2 3.88Å; H203-D210 PolarHBondContact CE1-OD2 2.94Å; H203-D210 VanDerWaalsContact CE1-OD2 3.25Å; H203-D210 WeakPolarHBondContact ND1-CB 3.37Å; D210-A236 HydrophobicContact CB-CB 4.05Å; D210-R241 IonicContact OD1-CZ 3.34Å; D210-R241 IonicContact OD1-NH1 2.81Å; D210-R241 PolarHBondContact OD1-NH1 2.82Å; D210-R241 IonicContact OD1-NH2 2.65Å; D210-R241 PolarHBondContact OD1-NH2 3.26Å; D210-R241 IonicContact OD2-NH2 3.55Å
211T95.2Very high93.9Very high5 Ų548 Ų483%0.03122%0.222CC..  trans-146.2137.7166.3-170.70000108.9E152 Q213 P214 I217 R241 W242 T245E152-T211 WeakPolarHBondContact O-CB 3.45Å; E152-T211 PolarHBondContact O-OG1 3.2Å; T211-Q213 PolarHBondContact OG1-N 2.86Å; T211-P214 HydrophobicContact CG2-CB 4.26Å; T211-I217 HydrophobicContact CG2-CD1 3.99Å; T211-R241 PolarHBondContact O-NH1 2.89Å; T211-R241 VanDerWaalsContact O-NH1 3.17Å; T211-W242 HydrophobicContact CG2-CH2 4.46Å; T211-T245 HydrophobicContact CG2-CG2 4.23Å
212K89.7Confident94Very high112 Ų11245.4 Ų45.449%0.48721%0.211SC..SBendtrans-90.2-17.6174.2-74.2174-174.9169.90112.6F194F194-K212 HydrophobicContact CD2-CD 4.33Å; F194-K212 HydrophobicContact CD2-CG 4.29Å; F194-K212 HydrophobicContact CE2-CB 4.37Å; F194-K212 HydrophobicContact CE2-CD 4.02Å; F194-K212 HydrophobicContact CE2-CG 3.64Å; F194-K212 HydrophobicContact CZ-CD 4.15Å; F194-K212 HydrophobicContact CZ-CG 3.97Å; F194-K212 WeakPolarHBondContact O-CD 3.35Å; F194-K212 PolarHBondContact O-NZ 2.75Å
213Q87.4Confident94.2Very high75 Ų7539.5 Ų39.535%0.3519%0.188SC..  trans-132.862.4-169.6-62.8-176.2-66.600110.5T211 E215 L216T211-Q213 PolarHBondContact OG1-N 2.86Å; Q213-E215 VanDerWaalsContact C-OE2 3.23Å; Q213-E215 WeakPolarHBondContact CA-OE1 3.31Å; Q213-E215 WeakPolarHBondContact CA-OE2 3.38Å; Q213-E215 WeakPolarHBondContact CB-OE1 3.46Å; Q213-E215 PolarHBondContact O-N 3.24Å; Q213-E215 VanDerWaalsContact O-N 3.12Å; Q213-L216 HydrophobicContact CB-CB 4.3Å; Q213-L216 HydrophobicContact CB-CD1 3.88Å; Q213-L216 HydrophobicContact CB-CG 4.02Å; Q213-L216 HydrophobicContact CG-CD1 4.3Å; Q213-L216 PolarHBondContact O-N 3.48Å
214P91.4Very high94.1Very high35 Ų3541.7 Ų41.723%0.22720%0.197CC..G310 helixtrans-54.7-31.2179.525.2-35.1000112T211 L216 I217 T245 Y248T211-P214 HydrophobicContact CG2-CB 4.26Å; P214-L216 PolarHBondContact O-N 3.44Å; P214-I217 VanDerWaalsContact O-CB 3.29Å; P214-I217 WeakPolarHBondContact O-CB 3.15Å; P214-I217 PolarHBondContact O-N 2.73Å; P214-T245 HydrophobicContact CB-CG2 4.11Å; P214-Y248 WeakPolarHBondContact O-CD1 3.24Å; P214-Y248 WeakPolarHBondContact O-CE1 3.49Å
215E90.3Very high94.3Very high99 Ų9941.6 Ų41.646%0.46320%0.197SC..G310 helixtrans-60.8-26.6177.671.1-72.8171.900114.2Q213 I217 Y248Q213-E215 VanDerWaalsContact C-OE2 3.23Å; Q213-E215 WeakPolarHBondContact CA-OE1 3.31Å; Q213-E215 WeakPolarHBondContact CA-OE2 3.38Å; Q213-E215 WeakPolarHBondContact CB-OE1 3.46Å; Q213-E215 PolarHBondContact O-N 3.24Å; Q213-E215 VanDerWaalsContact O-N 3.12Å; E215-I217 VanDerWaalsContact C-N 3.33Å; E215-Y248 VanDerWaalsContact CA-CZ 3.46Å; E215-Y248 WeakPolarHBondContact CA-OH 3.34Å; E215-Y248 PolarHBondContact O-OH 3.49Å
216L91.1Very high94.5Very high52 Ų5239.3 Ų39.327%0.27218%0.184SC..G310 helixtrans-84.5-9.3177.6-62.2-176.5000112.8R149 Q213 P214 R218R149-L216 WeakPolarHBondContact CD-O 2.93Å; R149-L216 HydrophobicContact CG-CB 4.27Å; R149-L216 PolarHBondContact NE-O 2.9Å; Q213-L216 HydrophobicContact CB-CB 4.3Å; Q213-L216 HydrophobicContact CB-CD1 3.88Å; Q213-L216 HydrophobicContact CB-CG 4.02Å; Q213-L216 HydrophobicContact CG-CD1 4.3Å; Q213-L216 PolarHBondContact O-N 3.48Å; P214-L216 PolarHBondContact O-N 3.44Å; L216-R218 PolarHBondContact O-N 3.21Å
217I92.4Very high94.5Very high1 Ų136.4 Ų36.41%0.00517%0.168CC..  trans-71.2126.6177.8-62179.7000109.4F153 T211 P214 E215 M249 R252F153-I217 HydrophobicContact CE1-CD1 4.06Å; F153-I217 HydrophobicContact CZ-CD1 4.17Å; T211-I217 HydrophobicContact CG2-CD1 3.99Å; P214-I217 VanDerWaalsContact O-CB 3.29Å; P214-I217 WeakPolarHBondContact O-CB 3.15Å; P214-I217 PolarHBondContact O-N 2.73Å; E215-I217 VanDerWaalsContact C-N 3.33Å; I217-M249 HydrophobicContact CD1-SD 4.28Å; I217-M249 HydrophobicContact CG2-CG 4.08Å; I217-M249 HydrophobicContact CG2-SD 4.46Å; I217-R252 WeakPolarHBondContact O-CG 3.29Å
218R93.9Very high94.5Very high131 Ų13131.9 Ų31.949%0.49415%0.152SC..  trans-87.8171.5171.7-63.8-64.6-174.9161.8-0110.4L216 G220 G221 D256L216-R218 PolarHBondContact O-N 3.21Å; R218-G220 PolarHBondContact O-N 3.03Å; R218-G221 PolarHBondContact O-N 3.24Å; R218-D256 WeakPolarHBondContact CB-OD2 3.31Å
219G92.7Very high94.6Very high0 Ų031.1 Ų31.10%015%0.148CC..THydrogen-bonded Turntrans-54-32.2-175.200000114.3G221 L222 D256G219-G221 PolarHBondContact O-N 3Å; G219-L222 PolarHBondContact O-N 3.12Å; G219-D256 PolarHBondContact N-OD2 3.3Å
220G94.5Very high94.5Very high18 Ų1832.2 Ų32.219%0.18616%0.157CC..Hα-helixtrans-61.6-25.1174.200000114.8R218 L222 L223 K224R218-G220 PolarHBondContact O-N 3.03Å; G220-L222 PolarHBondContact O-N 3.47Å; G220-L223 WeakPolarHBondContact O-CB 3.38Å; G220-L223 PolarHBondContact O-N 3.26Å; G220-K224 PolarHBondContact O-N 2.96Å
221G96.2Very high94.4Very high0 Ų034.5 Ų34.50%017%0.167CC..Hα-helixtrans-68.3-21.8179.700000113.7R218 G219 L223 K224 Y225R218-G221 PolarHBondContact O-N 3.24Å; G219-G221 PolarHBondContact O-N 3Å; G221-L223 VanDerWaalsContact C-N 3.32Å; G221-K224 PolarHBondContact O-N 2.74Å; G221-Y225 VanDerWaalsContact O-CB 3.29Å; G221-Y225 WeakPolarHBondContact O-CB 3.27Å; G221-Y225 PolarHBondContact O-N 3.32Å
222L97.7Very high94.4Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-60.3-44.3168.1176.463.3000110.9G219 G220 Y225 C226 M249 F253 L289 V292 V293G219-L222 PolarHBondContact O-N 3.12Å; G220-L222 PolarHBondContact O-N 3.47Å; L222-Y225 PolarHBondContact O-N 2.8Å; L222-C226 PolarHBondContact O-N 3.48Å; L222-C226 PolarHBondContact O-SG 2.65Å; L222-M249 HydrophobicContact CB-CB 4.12Å; L222-M249 HydrophobicContact CD1-CB 4.14Å; L222-F253 HydrophobicContact CB-CB 4.37Å; L222-F253 HydrophobicContact CD2-CB 3.74Å; L222-F253 HydrophobicContact CD2-CD1 4.33Å; L222-F253 HydrophobicContact CD2-CD2 4.09Å; L222-F253 HydrophobicContact CD2-CG 3.8Å; L222-L289 HydrophobicContact CD2-CD1 4.17Å; L222-L289 HydrophobicContact CG-CD1 4.12Å; L222-V292 HydrophobicContact CD1-CG1 3.8Å; L222-V293 HydrophobicContact CD2-CG2 4.07Å
223L97.8Very high94.7Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-67.1-42.6179.7-53.1-178000110.2G220 G221 Y225 C226 Q227 F253 K266 L267 Y270 F285 L289G220-L223 WeakPolarHBondContact O-CB 3.38Å; G220-L223 PolarHBondContact O-N 3.26Å; G221-L223 VanDerWaalsContact C-N 3.32Å; L223-Y225 PolarHBondContact O-N 2.84Å; L223-C226 PolarHBondContact O-N 2.61Å; L223-Q227 WeakPolarHBondContact O-CB 3.36Å; L223-Q227 PolarHBondContact O-N 2.67Å; L223-F253 HydrophobicContact CD2-CE2 4.15Å; L223-F253 HydrophobicContact CG-CE2 4.45Å; L223-K266 HydrophobicContact CD1-CG 4.1Å; L223-L267 HydrophobicContact CD2-CD1 4.46Å; L223-Y270 HydrophobicContact CB-CD1 4.1Å; L223-Y270 HydrophobicContact CB-CD2 3.87Å; L223-Y270 HydrophobicContact CB-CE1 3.91Å; L223-Y270 HydrophobicContact CB-CE2 3.63Å; L223-Y270 HydrophobicContact CB-CG 4.08Å; L223-Y270 HydrophobicContact CD1-CD1 4.35Å; L223-Y270 HydrophobicContact CD1-CD2 3.65Å; L223-Y270 HydrophobicContact CD1-CE2 4.27Å; L223-Y270 HydrophobicContact CD1-CG 3.69Å; L223-Y270 HydrophobicContact CG-CD2 4.43Å; L223-Y270 PolarHBondContact O-OH 3.01Å; L223-F285 HydrophobicContact CB-CZ 4.28Å; L223-F285 HydrophobicContact CD2-CZ 4.25Å; L223-F285 WeakPolarHBondContact O-CE2 3.47Å; L223-L289 HydrophobicContact CD2-CD1 3.92Å; L223-L289 HydrophobicContact CD2-CD2 3.92Å
224K95.7Very high95.1Very high54 Ų5437.2 Ų37.224%0.23518%0.181CC..Hα-helixtrans-61.9-43.3175.1-171.4172.2-166.4159.50112.4E152 F153 D156 G220 G221 Q227 L228 Y270E152-K224 HydrophobicContact CB-CD 4.31Å; E152-K224 HydrophobicContact CG-CD 4.43Å; E152-K224 WeakPolarHBondContact OE2-CD 3.49Å; F153-K224 HydrophobicContact CD2-CD 4.03Å; F153-K224 HydrophobicContact CD2-CG 4.13Å; F153-K224 HydrophobicContact CE2-CB 4.09Å; F153-K224 HydrophobicContact CE2-CD 4.16Å; F153-K224 HydrophobicContact CE2-CG 3.97Å; D156-K224 IonicContact OD1-NZ 3.56Å; D156-K224 WeakPolarHBondContact OD2-CE 3.33Å; D156-K224 IonicContact OD2-NZ 2.81Å; D156-K224 PolarHBondContact OD2-NZ 3.43Å; G220-K224 PolarHBondContact O-N 2.96Å; G221-K224 PolarHBondContact O-N 2.74Å; K224-Q227 WeakPolarHBondContact O-CB 3.33Å; K224-Q227 PolarHBondContact O-N 2.93Å; K224-L228 WeakPolarHBondContact O-CG 3.25Å; K224-L228 PolarHBondContact O-N 3.29Å; K224-Y270 VanDerWaalsContact CA-OH 3.26Å; K224-Y270 WeakPolarHBondContact CA-OH 3.4Å; K224-Y270 PolarHBondContact N-OH 3.35Å
225Y97.5Very high95.4Very high2 Ų237 Ų371%0.00818%0.18CC..Hα-helixtrans-57.9-49.7174.5175.4-111.7000112.2F153 I209 G221 L222 L223 Q227 L228 L229 P235 W242 E246 M249 V292F153-Y225 HydrophobicContact CE1-CD2 4.36Å; F153-Y225 HydrophobicContact CZ-CD2 4.34Å; I209-Y225 HydrophobicContact CD1-CD2 3.89Å; I209-Y225 HydrophobicContact CD1-CE2 3.79Å; I209-Y225 HydrophobicContact CG2-CD2 4.13Å; I209-Y225 HydrophobicContact CG2-CE2 4.39Å; G221-Y225 VanDerWaalsContact O-CB 3.29Å; G221-Y225 WeakPolarHBondContact O-CB 3.27Å; G221-Y225 PolarHBondContact O-N 3.32Å; L222-Y225 PolarHBondContact O-N 2.8Å; L223-Y225 PolarHBondContact O-N 2.84Å; Y225-Q227 VanDerWaalsContact C-N 3.28Å; Y225-Q227 PolarHBondContact O-N 3.25Å; Y225-L228 PolarHBondContact O-N 2.9Å; Y225-L229 HydrophobicContact CD1-CD1 4Å; Y225-L229 HydrophobicContact CE1-CD1 3.4Å; Y225-L229 HydrophobicContact CE1-CG 4.15Å; Y225-L229 HydrophobicContact CE2-CD1 4.26Å; Y225-L229 HydrophobicContact CE2-CD2 4.33Å; Y225-L229 HydrophobicContact CE2-CG 4.17Å; Y225-L229 PolarHBondContact O-N 3.48Å; Y225-P235 HydrophobicContact CE2-CG 4.49Å; Y225-W242 AromaticContact CD2-CZ3 3.82Å; Y225-W242 HydrophobicContact CD2-CZ3 3.82Å; Y225-W242 AromaticContact CE2-CE3 3.68Å; Y225-W242 HydrophobicContact CE2-CE3 3.68Å; Y225-W242 HydrophobicContact CE2-CH2 4.29Å; Y225-W242 AromaticContact CE2-CZ3 3.38Å; Y225-W242 HydrophobicContact CE2-CZ3 3.38Å; Y225-E246 HydrophobicContact CE1-CG 3.62Å; Y225-E246 VanDerWaalsContact CE1-OE1 3.29Å; Y225-E246 WeakPolarHBondContact CE1-OE1 3.46Å; Y225-E246 PolarHBondContact OH-OE1 3.49Å; Y225-M249 HydrophobicContact CD1-CE 3.49Å; Y225-M249 VanDerWaalsContact CD1-CE 3.49Å; Y225-M249 HydrophobicContact CD2-CE 3.87Å; Y225-M249 HydrophobicContact CE1-CE 3.93Å; Y225-M249 HydrophobicContact CE2-CE 4.29Å; Y225-M249 HydrophobicContact CG-CE 3.43Å; Y225-M249 VanDerWaalsContact CG-CE 3.43Å; Y225-M249 HydrophobicContact CG-SD 4.09Å; Y225-V292 HydrophobicContact CD1-CG1 4.49Å; Y225-V292 HydrophobicContact CE1-CG1 4.3Å; Y225-V292 HydrophobicContact CE1-CG2 4.23Å
226C98.2Very high95.7Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-64.7-33.9179.2-64.10000112L222 L223 L229 A230 F285 V288 L289L222-C226 PolarHBondContact O-N 3.48Å; L222-C226 PolarHBondContact O-SG 2.65Å; L223-C226 PolarHBondContact O-N 2.61Å; C226-L229 PolarHBondContact O-N 3.28Å; C226-A230 WeakPolarHBondContact O-CB 3.47Å; C226-A230 PolarHBondContact O-N 2.61Å; C226-F285 HydrophobicContact CB-CD2 4.13Å; C226-F285 HydrophobicContact CB-CE2 3.77Å; C226-V288 HydrophobicContact CB-CG1 3.98Å; C226-L289 HydrophobicContact CB-CB 4.3Å; C226-L289 HydrophobicContact CB-CD1 4.39Å
227Q96.4Very high95.7Very high20 Ų2035 Ų359%0.09318%0.182CC..Hα-helixtrans-63.8-46.4172.8-174.8-178.2-5.100111.7L223 K224 Y225 L229 A230 Q231 Y270 H274 F275 F285L223-Q227 WeakPolarHBondContact O-CB 3.36Å; L223-Q227 PolarHBondContact O-N 2.67Å; K224-Q227 WeakPolarHBondContact O-CB 3.33Å; K224-Q227 PolarHBondContact O-N 2.93Å; Y225-Q227 VanDerWaalsContact C-N 3.28Å; Y225-Q227 PolarHBondContact O-N 3.25Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; Q227-L229 PolarHBondContact O-N 3.34Å; Q227-A230 PolarHBondContact O-N 2.88Å; Q227-Q231 WeakPolarHBondContact O-CB 3.41Å; Q227-Q231 VanDerWaalsContact O-CG 3.31Å; Q227-Q231 WeakPolarHBondContact O-CG 3.47Å; Q227-Q231 PolarHBondContact O-N 3.27Å; Q227-Y270 PolarHBondContact OE1-OH 3.43Å; Q227-H274 PolarHBondContact OE1-CD2 3.44Å; Q227-F275 HydrophobicContact CG-CZ 4.13Å; Q227-F285 HydrophobicContact CB-CD2 4.15Å; Q227-F285 HydrophobicContact CB-CE2 4.23Å
228L96.1Very high95.8Very high13 Ų1338.7 Ų38.77%0.06821%0.206CC..Hα-helixtrans-59-45.7176.6-70.8172.7000111.1F153 V155 I209 K224 Y225 A230 Q231 Q232 Y233F153-L228 HydrophobicContact CB-CD1 4.42Å; F153-L228 HydrophobicContact CD2-CD1 3.73Å; F153-L228 HydrophobicContact CE2-CD1 4.23Å; F153-L228 HydrophobicContact CG-CD1 4.05Å; V155-L228 HydrophobicContact CG2-CD1 3.97Å; V155-L228 HydrophobicContact CG2-CD2 4Å; I209-L228 HydrophobicContact CD1-CB 3.59Å; I209-L228 HydrophobicContact CD1-CD1 4.32Å; I209-L228 HydrophobicContact CG1-CB 4.07Å; I209-L228 HydrophobicContact CG1-CD1 4.23Å; I209-L228 HydrophobicContact CG2-CD1 4.01Å; K224-L228 WeakPolarHBondContact O-CG 3.25Å; K224-L228 PolarHBondContact O-N 3.29Å; Y225-L228 PolarHBondContact O-N 2.9Å; L228-A230 PolarHBondContact O-N 3.35Å; L228-Q231 CarbonylContact O-C 3.58Å; L228-Q231 WeakPolarHBondContact O-CA 3.41Å; L228-Q231 WeakPolarHBondContact O-CB 3.01Å; L228-Q231 PolarHBondContact O-N 3.48Å; L228-Q231 VanDerWaalsContact O-N 3.11Å; L228-Q232 PolarHBondContact O-N 3.15Å; L228-Y233 HydrophobicContact CB-CD2 4.46Å; L228-Y233 HydrophobicContact CB-CG 4.2Å; L228-Y233 HydrophobicContact CD2-CD1 4.14Å; L228-Y233 HydrophobicContact CD2-CD2 4.12Å; L228-Y233 HydrophobicContact CD2-CE1 4.22Å; L228-Y233 HydrophobicContact CD2-CE2 4.18Å; L228-Y233 HydrophobicContact CD2-CG 4.12Å; L228-Y233 VanDerWaalsContact O-CB 3.26Å; L228-Y233 WeakPolarHBondContact O-CB 3.18Å; L228-Y233 WeakPolarHBondContact O-CD2 3.16Å; L228-Y233 PolarHBondContact O-N 3.18Å
229L97.5Very high95.3Very high19 Ų1936.9 Ų36.910%0.09921%0.213CC..Hα-helixtrans-59.2-44.9175.1-73.4-177.3000112.5I209 Y225 C226 Q227 Q231 Q232 P235 V288 V292I209-L229 HydrophobicContact CD1-CD2 3.84Å; I209-L229 HydrophobicContact CD1-CG 4.12Å; Y225-L229 HydrophobicContact CD1-CD1 4Å; Y225-L229 HydrophobicContact CE1-CD1 3.4Å; Y225-L229 HydrophobicContact CE1-CG 4.15Å; Y225-L229 HydrophobicContact CE2-CD1 4.26Å; Y225-L229 HydrophobicContact CE2-CD2 4.33Å; Y225-L229 HydrophobicContact CE2-CG 4.17Å; Y225-L229 PolarHBondContact O-N 3.48Å; C226-L229 PolarHBondContact O-N 3.28Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; Q227-L229 PolarHBondContact O-N 3.34Å; L229-Q231 PolarHBondContact O-N 3.41Å; L229-Q232 PolarHBondContact O-N 3.05Å; L229-P235 HydrophobicContact CD2-CG 4.27Å; L229-V288 HydrophobicContact CB-CG1 3.7Å; L229-V288 HydrophobicContact CD1-CG1 3.79Å; L229-V288 HydrophobicContact CG-CG1 4.44Å; L229-V292 HydrophobicContact CD1-CG2 4.05Å
230A96.5Very high95.1Very high23 Ų2346.3 Ų46.319%0.1925%0.254CS..Hα-helixtrans-62.1-30.6176.300000112.1C226 Q227 L228 Q232 F285 V288C226-A230 WeakPolarHBondContact O-CB 3.47Å; C226-A230 PolarHBondContact O-N 2.61Å; Q227-A230 PolarHBondContact O-N 2.88Å; L228-A230 PolarHBondContact O-N 3.35Å; A230-Q232 PolarHBondContact O-N 3.05Å; A230-F285 HydrophobicContact CB-CB 4.29Å; A230-V288 HydrophobicContact CB-CG2 4.21Å
231Q93.6Very high95Very high66 Ų6648.8 Ų48.831%0.30826%0.257SS..THydrogen-bonded Turntrans-82.218.6172.7-66.8173.6-14.500113.6R207 Q227 L228 L229 Y233R207-Q231 PolarHBondContact NH1-O 3.46Å; Q227-Q231 WeakPolarHBondContact O-CB 3.41Å; Q227-Q231 VanDerWaalsContact O-CG 3.31Å; Q227-Q231 WeakPolarHBondContact O-CG 3.47Å; Q227-Q231 PolarHBondContact O-N 3.27Å; L228-Q231 CarbonylContact O-C 3.58Å; L228-Q231 WeakPolarHBondContact O-CA 3.41Å; L228-Q231 WeakPolarHBondContact O-CB 3.01Å; L228-Q231 PolarHBondContact O-N 3.48Å; L228-Q231 VanDerWaalsContact O-N 3.11Å; L229-Q231 PolarHBondContact O-N 3.41Å; Q231-Y233 HydrophobicContact CB-CD2 3.95Å; Q231-Y233 HydrophobicContact CB-CE2 4.15Å; Q231-Y233 PolarHBondContact O-N 2.97Å
232Q95Very high94.9Very high133 Ų13349.1 Ų49.162%0.62126%0.259SS*.THydrogen-bonded Turntrans65.818.5177.5-52.2-61.2-38.200114.6L228 L229 A230L228-Q232 PolarHBondContact O-N 3.15Å; L229-Q232 PolarHBondContact O-N 3.05Å; A230-Q232 PolarHBondContact O-N 3.05Å
233Y96.3Very high94.7Very high8 Ų857.2 Ų57.23%0.03129%0.289CS..  trans-71.1150.2167.1-71-117.1000110.4V155 R207 I209 L228 Q231V155-Y233 HydrophobicContact CB-CE1 4.39Å; V155-Y233 HydrophobicContact CG1-CD1 4.31Å; V155-Y233 HydrophobicContact CG1-CE1 3.89Å; R207-Y233 HydrophobicContact CB-CD1 3.83Å; R207-Y233 HydrophobicContact CB-CD2 4.12Å; R207-Y233 HydrophobicContact CB-CE1 4.07Å; R207-Y233 HydrophobicContact CB-CE2 4.36Å; R207-Y233 HydrophobicContact CB-CG 3.83Å; R207-Y233 HydrophobicContact CG-CD2 4.38Å; R207-Y233 HydrophobicContact CG-CE1 4.37Å; R207-Y233 HydrophobicContact CG-CE2 4.21Å; R207-Y233 CarbonylContact O-C 3.47Å; R207-Y233 WeakPolarHBondContact O-CA 3.47Å; R207-Y233 WeakPolarHBondContact O-CB 3.39Å; I209-Y233 HydrophobicContact CG1-CD1 4.42Å; I209-Y233 HydrophobicContact CG1-CG 4.41Å; L228-Y233 HydrophobicContact CB-CD2 4.46Å; L228-Y233 HydrophobicContact CB-CG 4.2Å; L228-Y233 HydrophobicContact CD2-CD1 4.14Å; L228-Y233 HydrophobicContact CD2-CD2 4.12Å; L228-Y233 HydrophobicContact CD2-CE1 4.22Å; L228-Y233 HydrophobicContact CD2-CE2 4.18Å; L228-Y233 HydrophobicContact CD2-CG 4.12Å; L228-Y233 VanDerWaalsContact O-CB 3.26Å; L228-Y233 WeakPolarHBondContact O-CB 3.18Å; L228-Y233 WeakPolarHBondContact O-CD2 3.16Å; L228-Y233 PolarHBondContact O-N 3.18Å; Q231-Y233 HydrophobicContact CB-CD2 3.95Å; Q231-Y233 HydrophobicContact CB-CE2 4.15Å; Q231-Y233 PolarHBondContact O-N 2.97Å
234Q96.9Very high94.4Very high108 Ų10862.7 Ų62.751%0.50532%0.315SS..EExtended strand (participates in β ladder)trans-121.4140.7179.8-64-59.2-40.100111.3R207 L208 I209 A236R207-Q234 PolarHBondContact O-N 3.38Å; L208-Q234 CarbonylContact C-O 3.5Å; L208-Q234 VanDerWaalsContact CA-O 3.29Å; L208-Q234 WeakPolarHBondContact CA-O 3.12Å; I209-Q234 PolarHBondContact N-O 3.41Å; Q234-A236 PolarHBondContact O-N 3.32Å
235P97.1Very high94.4Very high31 Ų3160.6 Ų60.620%0.20131%0.307CS..EExtended strand (participates in β ladder)trans-58.1127.4174.2-24.234.2000112.9Y225 L229 W242Y225-P235 HydrophobicContact CE2-CG 4.49Å; L229-P235 HydrophobicContact CD2-CG 4.27Å; P235-W242 HydrophobicContact CB-CB 4.17Å; P235-W242 HydrophobicContact CB-CD2 3.51Å; P235-W242 HydrophobicContact CB-CE3 4.21Å; P235-W242 HydrophobicContact CB-CG 3.42Å; P235-W242 VanDerWaalsContact CB-CG 3.42Å; P235-W242 HydrophobicContact CB-CZ2 4.31Å; P235-W242 HydrophobicContact CG-CD2 4.28Å; P235-W242 HydrophobicContact CG-CG 4.27Å
236A96.3Very high94.3Very high5 Ų561.6 Ų61.64%0.04131%0.311CS..PPolyproline II helixtrans-65.1139.7179.100000111.4L208 I209 D210 Q234 R241 W242L208-A236 HydrophobicContact CB-CB 4.32Å; I209-A236 VanDerWaalsContact O-CB 3.28Å; I209-A236 WeakPolarHBondContact O-CB 3.12Å; I209-A236 PolarHBondContact O-N 3.19Å; D210-A236 HydrophobicContact CB-CB 4.05Å; Q234-A236 PolarHBondContact O-N 3.32Å; A236-R241 PolarHBondContact O-NH2 2.77Å; A236-R241 VanDerWaalsContact O-NH2 3.15Å; A236-W242 PolarHBondContact O-NE1 3.37Å
237S92.4Very high94.1Very high104 Ų10466 Ų6673%0.72733%0.328SS*.SBendtrans-52.9146.2177.4-173.10000112
238P92.9Very high94Very high78 Ų7868.6 Ų68.651%0.50634%0.337SS..PPolyproline II helixcis-80.1131.7-031.2-34.1000112.7K240 R241P238-K240 PolarHBondContact O-N 3.19Å; P238-R241 WeakPolarHBondContact O-CG 3.34Å; P238-R241 PolarHBondContact O-N 3.42Å
239S85.1Confident94Very high92 Ų9268 Ų6864%0.64333%0.334SS*.G310 helixtrans-57.6-27.7-176.4-45.50000113.7R241 W242S239-R241 VanDerWaalsContact C-N 3.27Å; S239-R241 PolarHBondContact O-N 3.31Å; S239-W242 PolarHBondContact O-N 2.79Å
240K86.8Confident93.9Very high198 Ų19867 Ų6786%0.86133%0.329SS*.G310 helixtrans-60.2-31.4-179.1-67.4-176.8-179.61790113.5P238 W242P238-K240 PolarHBondContact O-N 3.19Å; K240-W242 VanDerWaalsContact C-N 3.28Å; K240-W242 PolarHBondContact O-N 3.43Å
241R93Very high93.8Very high70 Ų7068.3 Ų68.326%0.26434%0.337SS..G310 helixtrans-70-27.2-178.279.8-170.9168.5113.2-1.4112.7D210 T211 A236 P238 S239 R243 Q244 T245D210-R241 IonicContact OD1-CZ 3.34Å; D210-R241 IonicContact OD1-NH1 2.81Å; D210-R241 PolarHBondContact OD1-NH1 2.82Å; D210-R241 IonicContact OD1-NH2 2.65Å; D210-R241 PolarHBondContact OD1-NH2 3.26Å; D210-R241 IonicContact OD2-NH2 3.55Å; T211-R241 PolarHBondContact O-NH1 2.89Å; T211-R241 VanDerWaalsContact O-NH1 3.17Å; A236-R241 PolarHBondContact O-NH2 2.77Å; A236-R241 VanDerWaalsContact O-NH2 3.15Å; P238-R241 WeakPolarHBondContact O-CG 3.34Å; P238-R241 PolarHBondContact O-N 3.42Å; S239-R241 VanDerWaalsContact C-N 3.27Å; S239-R241 PolarHBondContact O-N 3.31Å; R241-R243 VanDerWaalsContact C-N 3.33Å; R241-R243 PolarHBondContact O-N 2.85Å; R241-Q244 WeakPolarHBondContact O-CB 3.26Å; R241-Q244 PolarHBondContact O-N 3.03Å; R241-T245 PolarHBondContact O-N 2.66Å; R241-T245 PolarHBondContact O-OG1 2.94Å
242W94.4Very high93.9Very high7 Ų767.8 Ų67.83%0.02733%0.332CS..Hα-helixtrans-70.7-27.7-171.8-80.996.9000114.2F153 I209 T211 Y225 P235 A236 S239 K240 Q244 T245 E246F153-W242 HydrophobicContact CD1-CH2 4.4Å; F153-W242 HydrophobicContact CE1-CH2 4.22Å; F153-W242 HydrophobicContact CE1-CZ3 4.42Å; I209-W242 HydrophobicContact CB-CH2 4.05Å; I209-W242 HydrophobicContact CB-CZ2 4.29Å; I209-W242 HydrophobicContact CG2-CH2 3.51Å; I209-W242 HydrophobicContact CG2-CZ2 4.2Å; I209-W242 HydrophobicContact CG2-CZ3 4.17Å; I209-W242 WeakPolarHBondContact O-CZ2 3.41Å; T211-W242 HydrophobicContact CG2-CH2 4.46Å; Y225-W242 AromaticContact CD2-CZ3 3.82Å; Y225-W242 HydrophobicContact CD2-CZ3 3.82Å; Y225-W242 AromaticContact CE2-CE3 3.68Å; Y225-W242 HydrophobicContact CE2-CE3 3.68Å; Y225-W242 HydrophobicContact CE2-CH2 4.29Å; Y225-W242 AromaticContact CE2-CZ3 3.38Å; Y225-W242 HydrophobicContact CE2-CZ3 3.38Å; P235-W242 HydrophobicContact CB-CB 4.17Å; P235-W242 HydrophobicContact CB-CD2 3.51Å; P235-W242 HydrophobicContact CB-CE3 4.21Å; P235-W242 HydrophobicContact CB-CG 3.42Å; P235-W242 VanDerWaalsContact CB-CG 3.42Å; P235-W242 HydrophobicContact CB-CZ2 4.31Å; P235-W242 HydrophobicContact CG-CD2 4.28Å; P235-W242 HydrophobicContact CG-CG 4.27Å; A236-W242 PolarHBondContact O-NE1 3.37Å; S239-W242 PolarHBondContact O-N 2.79Å; K240-W242 VanDerWaalsContact C-N 3.28Å; K240-W242 PolarHBondContact O-N 3.43Å; W242-Q244 PolarHBondContact O-N 2.79Å; W242-T245 HydrophobicContact CE3-CG2 3.89Å; W242-T245 HydrophobicContact CH2-CG2 4.45Å; W242-T245 HydrophobicContact CZ3-CG2 3.74Å; W242-T245 PolarHBondContact O-N 2.91Å; W242-T245 VanDerWaalsContact O-N 3.15Å; W242-E246 WeakPolarHBondContact O-CB 3.32Å; W242-E246 WeakPolarHBondContact O-CG 3.35Å; W242-E246 PolarHBondContact O-N 3.42Å
243R92.5Very high94Very high170 Ų17061.9 Ų61.964%0.64230%0.304SS*.Hα-helixtrans-58.8-36.6170.7-173.1173.9-71.2176.2-2.7111.7R241 R247R241-R243 VanDerWaalsContact C-N 3.33Å; R241-R243 PolarHBondContact O-N 2.85Å; R243-R247 WeakPolarHBondContact O-CD 3.4Å; R243-R247 WeakPolarHBondContact O-CG 3.4Å; R243-R247 PolarHBondContact O-N 2.93Å
244Q92.5Very high93.9Very high116 Ų11662.4 Ų62.454%0.54231%0.307SS..Hα-helixtrans-75.8-38.2176-172.15932.200111.8R241 W242 R247 Y248R241-Q244 WeakPolarHBondContact O-CB 3.26Å; R241-Q244 PolarHBondContact O-N 3.03Å; W242-Q244 PolarHBondContact O-N 2.79Å; Q244-R247 PolarHBondContact O-N 2.92Å; Q244-Y248 PolarHBondContact O-N 3.44Å
245T94.6Very high93.8Very high10 Ų1062 Ų626%0.06131%0.307CS..Hα-helixtrans-62.1-45.1175.6-53.70000112T211 P214 R241 W242 Y248 M249T211-T245 HydrophobicContact CG2-CG2 4.23Å; P214-T245 HydrophobicContact CB-CG2 4.11Å; R241-T245 PolarHBondContact O-N 2.66Å; R241-T245 PolarHBondContact O-OG1 2.94Å; W242-T245 HydrophobicContact CE3-CG2 3.89Å; W242-T245 HydrophobicContact CH2-CG2 4.45Å; W242-T245 HydrophobicContact CZ3-CG2 3.74Å; W242-T245 PolarHBondContact O-N 2.91Å; W242-T245 VanDerWaalsContact O-N 3.15Å; T245-Y248 WeakPolarHBondContact O-CB 3.25Å; T245-Y248 PolarHBondContact O-N 2.91Å; T245-M249 HydrophobicContact CG2-CE 4.01Å; T245-M249 HydrophobicContact CG2-SD 4.48Å; T245-M249 WeakPolarHBondContact O-CG 3.29Å; T245-M249 PolarHBondContact O-N 3.17Å
246E95.8Very high93.7Very high22 Ų2262.8 Ų62.810%0.10331%0.309CS..Hα-helixtrans-60.4-47.1175.8-73.3-178167.900111.5Y225 W242 Y248 M249 C250 V292 S296Y225-E246 HydrophobicContact CE1-CG 3.62Å; Y225-E246 VanDerWaalsContact CE1-OE1 3.29Å; Y225-E246 WeakPolarHBondContact CE1-OE1 3.46Å; Y225-E246 PolarHBondContact OH-OE1 3.49Å; W242-E246 WeakPolarHBondContact O-CB 3.32Å; W242-E246 WeakPolarHBondContact O-CG 3.35Å; W242-E246 PolarHBondContact O-N 3.42Å; E246-Y248 VanDerWaalsContact C-N 3.25Å; E246-Y248 PolarHBondContact O-N 3.15Å; E246-M249 HydrophobicContact CG-CE 4.24Å; E246-M249 PolarHBondContact O-N 2.95Å; E246-M249 VanDerWaalsContact O-N 3.14Å; E246-C250 WeakPolarHBondContact O-CB 3.46Å; E246-C250 PolarHBondContact O-N 3.15Å; E246-C250 PolarHBondContact O-SG 3.14Å; E246-C250 VanDerWaalsContact O-SG 3.39Å; E246-V292 HydrophobicContact CB-CG1 4.5Å; E246-V292 HydrophobicContact CG-CG1 4.33Å; E246-S296 WeakPolarHBondContact CB-OG 3.27Å; E246-S296 PolarHBondContact OE2-OG 2.96Å
247R94.5Very high93.7Very high94 Ų9464.3 Ų64.336%0.35532%0.315SS..Hα-helixtrans-55.3-41.3174-73170.2-178.4175.3-2.5112.6R243 Q244 S251 S296 V298R243-R247 WeakPolarHBondContact O-CD 3.4Å; R243-R247 WeakPolarHBondContact O-CG 3.4Å; R243-R247 PolarHBondContact O-N 2.93Å; Q244-R247 PolarHBondContact O-N 2.92Å; R247-S251 WeakPolarHBondContact O-CB 3.4Å; R247-S251 PolarHBondContact O-N 3.46Å; R247-S251 PolarHBondContact O-OG 3.11Å; R247-S296 WeakPolarHBondContact CA-O 3.45Å; R247-S296 VanDerWaalsContact CG-O 3.25Å; R247-S296 WeakPolarHBondContact CG-O 3.36Å; R247-V298 HydrophobicContact CG-CG2 3.88Å
248Y94.5Very high93.8Very high73 Ų7363.4 Ų63.429%0.28631%0.307SS..Hα-helixtrans-64.8-48.2177-173.2-90.6000111.4P214 E215 Q244 T245 E246 C250 S251 R252P214-Y248 WeakPolarHBondContact O-CD1 3.24Å; P214-Y248 WeakPolarHBondContact O-CE1 3.49Å; E215-Y248 VanDerWaalsContact CA-CZ 3.46Å; E215-Y248 WeakPolarHBondContact CA-OH 3.34Å; E215-Y248 PolarHBondContact O-OH 3.49Å; Q244-Y248 PolarHBondContact O-N 3.44Å; T245-Y248 WeakPolarHBondContact O-CB 3.25Å; T245-Y248 PolarHBondContact O-N 2.91Å; E246-Y248 VanDerWaalsContact C-N 3.25Å; E246-Y248 PolarHBondContact O-N 3.15Å; Y248-C250 PolarHBondContact O-N 2.97Å; Y248-S251 PolarHBondContact O-N 2.97Å; Y248-R252 HydrophobicContact CE1-CB 4.37Å; Y248-R252 WeakPolarHBondContact O-CB 3.44Å; Y248-R252 PolarHBondContact O-N 3.42Å
249M95.8Very high94Very high0 Ų062.9 Ų62.90%030%0.302CS..Hα-helixtrans-61.8-43.3178.7-69.7-173.8-64.600112.1F153 I217 L222 Y225 T245 E246 R252 F253F153-M249 HydrophobicContact CE1-SD 4.44Å; F153-M249 HydrophobicContact CZ-SD 4.01Å; I217-M249 HydrophobicContact CD1-SD 4.28Å; I217-M249 HydrophobicContact CG2-CG 4.08Å; I217-M249 HydrophobicContact CG2-SD 4.46Å; L222-M249 HydrophobicContact CB-CB 4.12Å; L222-M249 HydrophobicContact CD1-CB 4.14Å; Y225-M249 HydrophobicContact CD1-CE 3.49Å; Y225-M249 VanDerWaalsContact CD1-CE 3.49Å; Y225-M249 HydrophobicContact CD2-CE 3.87Å; Y225-M249 HydrophobicContact CE1-CE 3.93Å; Y225-M249 HydrophobicContact CE2-CE 4.29Å; Y225-M249 HydrophobicContact CG-CE 3.43Å; Y225-M249 VanDerWaalsContact CG-CE 3.43Å; Y225-M249 HydrophobicContact CG-SD 4.09Å; T245-M249 HydrophobicContact CG2-CE 4.01Å; T245-M249 HydrophobicContact CG2-SD 4.48Å; T245-M249 WeakPolarHBondContact O-CG 3.29Å; T245-M249 PolarHBondContact O-N 3.17Å; E246-M249 HydrophobicContact CG-CE 4.24Å; E246-M249 PolarHBondContact O-N 2.95Å; E246-M249 VanDerWaalsContact O-N 3.14Å; M249-R252 PolarHBondContact O-N 3.42Å; M249-F253 WeakPolarHBondContact O-CB 3.49Å; M249-F253 PolarHBondContact O-N 3.1Å
250C95.8Very high94.5Very high0 Ų060.8 Ų60.80%028%0.283CS..Hα-helixtrans-58.5-54.5172.4-700000110.7E246 Y248 R252 F253 F254E246-C250 WeakPolarHBondContact O-CB 3.46Å; E246-C250 PolarHBondContact O-N 3.15Å; E246-C250 PolarHBondContact O-SG 3.14Å; E246-C250 VanDerWaalsContact O-SG 3.39Å; Y248-C250 PolarHBondContact O-N 2.97Å; C250-R252 VanDerWaalsContact C-N 3.27Å; C250-R252 PolarHBondContact O-N 3.23Å; C250-F253 WeakPolarHBondContact O-CB 3.33Å; C250-F253 PolarHBondContact O-N 3.47Å; C250-F254 WeakPolarHBondContact O-CD2 3.16Å; C250-F254 PolarHBondContact O-N 3.14Å; C250-F254 VanDerWaalsContact O-N 3.15Å
251S94.4Very high95Very high50 Ų5056 Ų5635%0.3527%0.271SS..Hα-helixtrans-55.8-43.6179.6-57.20000111.8R247 Y248 F254 I255R247-S251 WeakPolarHBondContact O-CB 3.4Å; R247-S251 PolarHBondContact O-N 3.46Å; R247-S251 PolarHBondContact O-OG 3.11Å; Y248-S251 PolarHBondContact O-N 2.97Å; S251-F254 PolarHBondContact O-N 3.19Å; S251-I255 VanDerWaalsContact O-CG1 3.29Å; S251-I255 WeakPolarHBondContact O-CG1 3.37Å; S251-I255 PolarHBondContact O-N 3.42Å
252R95.8Very high95.2Very high54 Ų5455.6 Ų55.620%0.20427%0.272CS..Hα-helixtrans-68.5-33.9178.8-163.473.4-146.2171.26.6112.8I217 Y248 M249 C250 I255 D256I217-R252 WeakPolarHBondContact O-CG 3.29Å; Y248-R252 HydrophobicContact CE1-CB 4.37Å; Y248-R252 WeakPolarHBondContact O-CB 3.44Å; Y248-R252 PolarHBondContact O-N 3.42Å; M249-R252 PolarHBondContact O-N 3.42Å; C250-R252 VanDerWaalsContact C-N 3.27Å; C250-R252 PolarHBondContact O-N 3.23Å; R252-I255 PolarHBondContact O-N 2.95Å; R252-D256 IonicContact CZ-OD1 2.64Å; R252-D256 VanDerWaalsContact CZ-OD1 3.24Å; R252-D256 IonicContact NE-OD1 3.13Å; R252-D256 PolarHBondContact NE-OD1 3.37Å; R252-D256 IonicContact NE-OD2 3.71Å; R252-D256 IonicContact NH2-OD1 2.79Å; R252-D256 PolarHBondContact NH2-OD1 2.96Å; R252-D256 WeakPolarHBondContact O-CB 3.32Å; R252-D256 PolarHBondContact O-N 2.86Å
253F96.4Very high95.4Very high10 Ų1055.7 Ų55.74%0.04427%0.273CS..Hα-helixtrans-59.4-47172.8178.5-93000111.3L222 L223 M249 C250 I255 D256 F257 Q263 T308L222-F253 HydrophobicContact CB-CB 4.37Å; L222-F253 HydrophobicContact CD2-CB 3.74Å; L222-F253 HydrophobicContact CD2-CD1 4.33Å; L222-F253 HydrophobicContact CD2-CD2 4.09Å; L222-F253 HydrophobicContact CD2-CG 3.8Å; L223-F253 HydrophobicContact CD2-CE2 4.15Å; L223-F253 HydrophobicContact CG-CE2 4.45Å; M249-F253 WeakPolarHBondContact O-CB 3.49Å; M249-F253 PolarHBondContact O-N 3.1Å; C250-F253 WeakPolarHBondContact O-CB 3.33Å; C250-F253 PolarHBondContact O-N 3.47Å; F253-I255 VanDerWaalsContact C-N 3.35Å; F253-I255 PolarHBondContact O-N 3.28Å; F253-D256 PolarHBondContact O-N 3Å; F253-F257 AromaticContact CD2-CD2 3.63Å; F253-F257 HydrophobicContact CD2-CD2 3.63Å; F253-F257 HydrophobicContact CD2-CE2 4.01Å; F253-F257 AromaticContact CE2-CD2 3.66Å; F253-F257 HydrophobicContact CE2-CD2 3.66Å; F253-F257 HydrophobicContact CE2-CE2 4.13Å; F253-F257 HydrophobicContact CG-CD2 4.22Å; F253-F257 HydrophobicContact CZ-CD2 4.28Å; F253-F257 WeakPolarHBondContact O-CD2 3.18Å; F253-F257 PolarHBondContact O-N 2.84Å; F253-Q263 HydrophobicContact CE1-CB 4.38Å; F253-Q263 HydrophobicContact CE1-CG 3.74Å; F253-Q263 HydrophobicContact CZ-CB 4.19Å; F253-Q263 HydrophobicContact CZ-CG 3.94Å; F253-T308 HydrophobicContact CE1-CG2 4.48Å
254F95Very high95.6Very high18 Ų1851.3 Ų51.38%0.07926%0.259CS..Hα-helixtrans-68.6-31177.1-71.5-76.4000113.6C250 S251 F257 P258 V293 T297 L300 T308C250-F254 WeakPolarHBondContact O-CD2 3.16Å; C250-F254 PolarHBondContact O-N 3.14Å; C250-F254 VanDerWaalsContact O-N 3.15Å; S251-F254 PolarHBondContact O-N 3.19Å; F254-F257 CarbonylContact O-C 3.53Å; F254-P258 VanDerWaalsContact O-CA 3.26Å; F254-P258 WeakPolarHBondContact O-CA 3.43Å; F254-V293 HydrophobicContact CZ-CG1 4.42Å; F254-T297 HydrophobicContact CD2-CG2 4.49Å; F254-T297 HydrophobicContact CE2-CG2 3.91Å; F254-T297 HydrophobicContact CZ-CG2 4.48Å; F254-L300 HydrophobicContact CB-CD1 4.49Å; F254-L300 HydrophobicContact CB-CD2 4.28Å; F254-L300 HydrophobicContact CD1-CD1 3.6Å; F254-L300 HydrophobicContact CD1-CD2 4.49Å; F254-L300 HydrophobicContact CD2-CD1 3.46Å; F254-L300 VanDerWaalsContact CD2-CD1 3.46Å; F254-L300 HydrophobicContact CD2-CG 4.41Å; F254-L300 HydrophobicContact CE1-CD1 3.5Å; F254-L300 HydrophobicContact CE2-CD1 3.41Å; F254-L300 VanDerWaalsContact CE2-CD1 3.41Å; F254-L300 HydrophobicContact CG-CD1 3.58Å; F254-L300 HydrophobicContact CG-CD2 4.21Å; F254-L300 HydrophobicContact CG-CG 4.47Å; F254-L300 HydrophobicContact CZ-CD1 3.42Å; F254-L300 VanDerWaalsContact CZ-CD1 3.42Å; F254-T308 HydrophobicContact CE1-CG2 4.28Å; F254-T308 VanDerWaalsContact CE1-OG1 3.27Å; F254-T308 WeakPolarHBondContact CE1-OG1 3.28Å; F254-T308 HydrophobicContact CZ-CG2 4.08Å
255I94.4Very high95.8Very high101 Ų10154.2 Ų54.252%0.51827%0.265SS..Hα-helixtrans-70-43.2174.1-68.7164.2000111.3S251 R252 F253S251-I255 VanDerWaalsContact O-CG1 3.29Å; S251-I255 WeakPolarHBondContact O-CG1 3.37Å; S251-I255 PolarHBondContact O-N 3.42Å; R252-I255 PolarHBondContact O-N 2.95Å; F253-I255 VanDerWaalsContact C-N 3.35Å; F253-I255 PolarHBondContact O-N 3.28Å
256D95.7Very high95.9Very high46 Ų4656.8 Ų56.825%0.24628%0.276CS..Hα-helixtrans-81.6-23.3-176-68.9-8.5000112.5R218 G219 R252 F253R218-D256 WeakPolarHBondContact CB-OD2 3.31Å; G219-D256 PolarHBondContact N-OD2 3.3Å; R252-D256 IonicContact CZ-OD1 2.64Å; R252-D256 VanDerWaalsContact CZ-OD1 3.24Å; R252-D256 IonicContact NE-OD1 3.13Å; R252-D256 PolarHBondContact NE-OD1 3.37Å; R252-D256 IonicContact NE-OD2 3.71Å; R252-D256 IonicContact NH2-OD1 2.79Å; R252-D256 PolarHBondContact NH2-OD1 2.96Å; R252-D256 WeakPolarHBondContact O-CB 3.32Å; R252-D256 PolarHBondContact O-N 2.86Å; F253-D256 PolarHBondContact O-N 3Å
257F96Very high95.9Very high37 Ų3756 Ų5616%0.16227%0.272CS..SBendtrans-13272.8177.3-48-67.2000110.8F253 F254 T259 E262 Q263 K266F253-F257 AromaticContact CD2-CD2 3.63Å; F253-F257 HydrophobicContact CD2-CD2 3.63Å; F253-F257 HydrophobicContact CD2-CE2 4.01Å; F253-F257 AromaticContact CE2-CD2 3.66Å; F253-F257 HydrophobicContact CE2-CD2 3.66Å; F253-F257 HydrophobicContact CE2-CE2 4.13Å; F253-F257 HydrophobicContact CG-CD2 4.22Å; F253-F257 HydrophobicContact CZ-CD2 4.28Å; F253-F257 WeakPolarHBondContact O-CD2 3.18Å; F253-F257 PolarHBondContact O-N 2.84Å; F254-F257 CarbonylContact O-C 3.53Å; F257-T259 VanDerWaalsContact C-N 3.34Å; F257-T259 PolarHBondContact O-N 3.41Å; F257-E262 HydrophobicContact CB-CB 4.31Å; F257-Q263 HydrophobicContact CB-CG 3.8Å; F257-Q263 VanDerWaalsContact O-CG 3.3Å; F257-Q263 WeakPolarHBondContact O-CG 3.28Å; F257-Q263 PolarHBondContact O-NE2 3.01Å; F257-K266 HydrophobicContact CD1-CB 4.2Å; F257-K266 HydrophobicContact CD1-CG 4.3Å; F257-K266 HydrophobicContact CD2-CG 4.31Å; F257-K266 HydrophobicContact CE1-CB 4.14Å; F257-K266 HydrophobicContact CE1-CD 3.98Å; F257-K266 HydrophobicContact CE1-CG 3.85Å; F257-K266 HydrophobicContact CE2-CD 4.4Å; F257-K266 HydrophobicContact CE2-CG 3.86Å; F257-K266 HydrophobicContact CZ-CB 4.4Å; F257-K266 HydrophobicContact CZ-CD 3.74Å; F257-K266 HydrophobicContact CZ-CG 3.63Å
258P94.4Very high96Very high85 Ų8555 Ų5555%0.55227%0.272SS*.  trans-69.8-27.2-170.226.8-35.4000113.9F254 E262F254-P258 VanDerWaalsContact O-CA 3.26Å; F254-P258 WeakPolarHBondContact O-CA 3.43Å; P258-E262 VanDerWaalsContact CD-OE2 3.28Å; P258-E262 WeakPolarHBondContact CD-OE2 3.45Å; P258-E262 WeakPolarHBondContact CG-OE2 3.46Å
259T95.9Very high95.8Very high67 Ų6753.7 Ų53.741%0.41127%0.273SS..SBendtrans-102.1150.6-178.269.90000112.6F257 V261 E262 Q263F257-T259 VanDerWaalsContact C-N 3.34Å; F257-T259 PolarHBondContact O-N 3.41Å; T259-V261 PolarHBondContact O-N 3.4Å; T259-E262 WeakPolarHBondContact CB-OE2 3.41Å; T259-E262 PolarHBondContact N-OE2 3.05Å; T259-E262 PolarHBondContact O-N 3.35Å; T259-E262 VanDerWaalsContact O-N 3.11Å; T259-E262 WeakPolarHBondContact OG1-CB 3.41Å; T259-E262 VanDerWaalsContact OG1-CD 3.29Å; T259-E262 WeakPolarHBondContact OG1-CG 3.27Å; T259-E262 PolarHBondContact OG1-N 2.82Å; T259-E262 PolarHBondContact OG1-OE2 3.28Å; T259-Q263 WeakPolarHBondContact O-CG 3.33Å; T259-Q263 PolarHBondContact O-N 3.44Å
260I96.2Very high95.7Very high48 Ų4854.3 Ų54.325%0.24628%0.275CS..Hα-helixtrans-61.5-32.6178.4-161.557.9000112.7Q263 Q264 L307 T311I260-Q263 PolarHBondContact O-N 3.34Å; I260-Q264 WeakPolarHBondContact O-CB 3.44Å; I260-Q264 VanDerWaalsContact O-CG 3.28Å; I260-Q264 WeakPolarHBondContact O-CG 3.11Å; I260-Q264 PolarHBondContact O-N 3.2Å; I260-L307 HydrophobicContact CD1-CB 4.11Å; I260-L307 HydrophobicContact CG1-CB 4.43Å; I260-T311 VanDerWaalsContact CD1-OG1 3.28Å; I260-T311 WeakPolarHBondContact CD1-OG1 3.35Å
261V97.3Very high95.6Very high98 Ų9854.4 Ų54.459%0.59428%0.276SS*.Hα-helixtrans-65.8-40.9177179.10000110.7T259 R265T259-V261 PolarHBondContact O-N 3.4Å; V261-R265 WeakPolarHBondContact O-CB 3.23Å; V261-R265 PolarHBondContact O-N 3.3Å
262E97.4Very high95.2Very high61 Ų6155.8 Ų55.829%0.28528%0.279SS..Hα-helixtrans-67.9-40.7175.8-72.4168.1130.100112.1F257 P258 T259 R265 K266F257-E262 HydrophobicContact CB-CB 4.31Å; P258-E262 VanDerWaalsContact CD-OE2 3.28Å; P258-E262 WeakPolarHBondContact CD-OE2 3.45Å; P258-E262 WeakPolarHBondContact CG-OE2 3.46Å; T259-E262 WeakPolarHBondContact CB-OE2 3.41Å; T259-E262 PolarHBondContact N-OE2 3.05Å; T259-E262 PolarHBondContact O-N 3.35Å; T259-E262 VanDerWaalsContact O-N 3.11Å; T259-E262 WeakPolarHBondContact OG1-CB 3.41Å; T259-E262 VanDerWaalsContact OG1-CD 3.29Å; T259-E262 WeakPolarHBondContact OG1-CG 3.27Å; T259-E262 PolarHBondContact OG1-N 2.82Å; T259-E262 PolarHBondContact OG1-OE2 3.28Å; E262-R265 PolarHBondContact O-N 2.72Å; E262-K266 VanDerWaalsContact O-CB 3.24Å; E262-K266 WeakPolarHBondContact O-CB 3.43Å; E262-K266 PolarHBondContact O-N 3.2Å
263Q97.5Very high94.7Very high10 Ų1054.7 Ų54.75%0.04728%0.278CS..Hα-helixtrans-62.7-46.3175.7-65.7174.217.100111.5F253 F257 T259 I260 K266 L267 T308F253-Q263 HydrophobicContact CE1-CB 4.38Å; F253-Q263 HydrophobicContact CE1-CG 3.74Å; F253-Q263 HydrophobicContact CZ-CB 4.19Å; F253-Q263 HydrophobicContact CZ-CG 3.94Å; F257-Q263 HydrophobicContact CB-CG 3.8Å; F257-Q263 VanDerWaalsContact O-CG 3.3Å; F257-Q263 WeakPolarHBondContact O-CG 3.28Å; F257-Q263 PolarHBondContact O-NE2 3.01Å; T259-Q263 WeakPolarHBondContact O-CG 3.33Å; T259-Q263 PolarHBondContact O-N 3.44Å; I260-Q263 PolarHBondContact O-N 3.34Å; Q263-K266 PolarHBondContact O-N 3.02Å; Q263-L267 VanDerWaalsContact O-CB 3.3Å; Q263-L267 WeakPolarHBondContact O-CB 3.49Å; Q263-L267 PolarHBondContact O-N 3.26Å; Q263-T308 PolarHBondContact OE1-OG1 3.06Å
264Q97.5Very high94.4Very high78 Ų7856.2 Ų56.236%0.36429%0.285SS..Hα-helixtrans-58-51.1174.9-78.3176.4-7.300111.7I260 K266 L267 Q268 T311 F315I260-Q264 WeakPolarHBondContact O-CB 3.44Å; I260-Q264 VanDerWaalsContact O-CG 3.28Å; I260-Q264 WeakPolarHBondContact O-CG 3.11Å; I260-Q264 PolarHBondContact O-N 3.2Å; Q264-K266 VanDerWaalsContact C-N 3.3Å; Q264-K266 PolarHBondContact O-N 3.09Å; Q264-L267 PolarHBondContact O-N 3.32Å; Q264-Q268 WeakPolarHBondContact O-CB 3.46Å; Q264-Q268 PolarHBondContact O-N 2.84Å; Q264-T311 HydrophobicContact CG-CG2 3.44Å; Q264-T311 VanDerWaalsContact CG-CG2 3.44Å; Q264-T311 PolarHBondContact NE2-OG1 2.97Å; Q264-F315 HydrophobicContact CG-CE2 4.46Å
265R96.6Very high94.1Very high177 Ų17756.2 Ų56.267%0.66829%0.285SS*.Hα-helixtrans-59.5-42.5178.1-176.7-178.865.3163.1-3.4111.5V261 E262 S269V261-R265 WeakPolarHBondContact O-CB 3.23Å; V261-R265 PolarHBondContact O-N 3.3Å; E262-R265 PolarHBondContact O-N 2.72Å; R265-S269 WeakPolarHBondContact O-CB 3.43Å; R265-S269 PolarHBondContact O-N 3.5Å
266K96.4Very high93.5Very high63 Ų6356.1 Ų56.127%0.27428%0.282SS..Hα-helixtrans-67-44.6-179.917959.6-177.4169.80111.4L223 F257 E262 Q263 Q264 Y270L223-K266 HydrophobicContact CD1-CG 4.1Å; F257-K266 HydrophobicContact CD1-CB 4.2Å; F257-K266 HydrophobicContact CD1-CG 4.3Å; F257-K266 HydrophobicContact CD2-CG 4.31Å; F257-K266 HydrophobicContact CE1-CB 4.14Å; F257-K266 HydrophobicContact CE1-CD 3.98Å; F257-K266 HydrophobicContact CE1-CG 3.85Å; F257-K266 HydrophobicContact CE2-CD 4.4Å; F257-K266 HydrophobicContact CE2-CG 3.86Å; F257-K266 HydrophobicContact CZ-CB 4.4Å; F257-K266 HydrophobicContact CZ-CD 3.74Å; F257-K266 HydrophobicContact CZ-CG 3.63Å; E262-K266 VanDerWaalsContact O-CB 3.24Å; E262-K266 WeakPolarHBondContact O-CB 3.43Å; E262-K266 PolarHBondContact O-N 3.2Å; Q263-K266 PolarHBondContact O-N 3.02Å; Q264-K266 VanDerWaalsContact C-N 3.3Å; Q264-K266 PolarHBondContact O-N 3.09Å; K266-Y270 WeakPolarHBondContact O-CB 3.35Å; K266-Y270 PolarHBondContact O-N 3.01Å
267L97.1Very high93Very high7 Ų762.5 Ų62.54%0.03731%0.311CS..Hα-helixtrans-65.9-47.3179.4-176.755.5000111.2L223 Q263 Q264 S269 Y270 L271 F285 L286 L289 I312 F315L223-L267 HydrophobicContact CD2-CD1 4.46Å; Q263-L267 VanDerWaalsContact O-CB 3.3Å; Q263-L267 WeakPolarHBondContact O-CB 3.49Å; Q263-L267 PolarHBondContact O-N 3.26Å; Q264-L267 PolarHBondContact O-N 3.32Å; L267-S269 PolarHBondContact O-N 3.01Å; L267-Y270 WeakPolarHBondContact O-CB 3.46Å; L267-Y270 PolarHBondContact O-N 2.87Å; L267-Y270 VanDerWaalsContact O-N 3.09Å; L267-L271 HydrophobicContact CD1-CG 4.35Å; L267-L271 HydrophobicContact CG-CD1 4.35Å; L267-L271 WeakPolarHBondContact O-CG 3.34Å; L267-L271 PolarHBondContact O-N 3.45Å; L267-F285 HydrophobicContact CD1-CE1 3.9Å; L267-F285 HydrophobicContact CD1-CZ 4.42Å; L267-L286 HydrophobicContact CD1-CD2 4.11Å; L267-L286 HydrophobicContact CD2-CD2 4.01Å; L267-L286 HydrophobicContact CG-CD2 4.38Å; L267-L289 HydrophobicContact CD1-CD2 3.77Å; L267-L289 HydrophobicContact CD2-CD2 4.31Å; L267-I312 HydrophobicContact CD2-CG1 4.23Å; L267-F315 HydrophobicContact CB-CE2 4.28Å; L267-F315 HydrophobicContact CB-CZ 4.44Å; L267-F315 HydrophobicContact CD2-CD2 3.54Å; L267-F315 HydrophobicContact CD2-CE2 3.8Å; L267-F315 HydrophobicContact CD2-CG 4.14Å; L267-F315 HydrophobicContact CG-CD2 4.19Å; L267-F315 HydrophobicContact CG-CE2 4.13Å; L267-F315 HydrophobicContact CG-CZ 4.42Å
268Q94.9Very high92.7Very high72 Ų7264.9 Ų64.934%0.33633%0.325SS..Hα-helixtrans-54.8-53.1174.4-177.866.367.400111.1Q264 Y270 L271 D272 F315Q264-Q268 WeakPolarHBondContact O-CB 3.46Å; Q264-Q268 PolarHBondContact O-N 2.84Å; Q268-Y270 PolarHBondContact O-N 2.83Å; Q268-L271 PolarHBondContact O-N 3.17Å; Q268-L271 VanDerWaalsContact O-N 3.12Å; Q268-D272 PolarHBondContact NE2-OD1 3.21Å; Q268-D272 PolarHBondContact NE2-OD2 2.92Å; Q268-D272 PolarHBondContact O-N 2.78Å; Q268-F315 HydrophobicContact CB-CE1 4.08Å; Q268-F315 HydrophobicContact CB-CZ 4Å; Q268-F315 VanDerWaalsContact OE1-CE1 3.3Å
269S90.7Very high92.6Very high45 Ų4567.5 Ų67.532%0.31532%0.324SS..Hα-helixtrans-60.5-32.6178.4175.20000112.7R265 L267 N273R265-S269 WeakPolarHBondContact O-CB 3.43Å; R265-S269 PolarHBondContact O-N 3.5Å; L267-S269 PolarHBondContact O-N 3.01Å; S269-N273 WeakPolarHBondContact O-CB 3.41Å; S269-N273 PolarHBondContact O-N 3.28Å; S269-N273 PolarHBondContact O-ND2 3.3Å; S269-N273 VanDerWaalsContact O-ND2 3.16Å
270Y93.3Very high92.5Very high13 Ų1369.8 Ų69.85%0.05133%0.328CS..Hα-helixtrans-68.6-46176.4-164.7-90.9000111L223 K224 Q227 K266 L267 Q268 D272 N273 H274 F275 F285L223-Y270 HydrophobicContact CB-CD1 4.1Å; L223-Y270 HydrophobicContact CB-CD2 3.87Å; L223-Y270 HydrophobicContact CB-CE1 3.91Å; L223-Y270 HydrophobicContact CB-CE2 3.63Å; L223-Y270 HydrophobicContact CB-CG 4.08Å; L223-Y270 HydrophobicContact CD1-CD1 4.35Å; L223-Y270 HydrophobicContact CD1-CD2 3.65Å; L223-Y270 HydrophobicContact CD1-CE2 4.27Å; L223-Y270 HydrophobicContact CD1-CG 3.69Å; L223-Y270 HydrophobicContact CG-CD2 4.43Å; L223-Y270 PolarHBondContact O-OH 3.01Å; K224-Y270 VanDerWaalsContact CA-OH 3.26Å; K224-Y270 WeakPolarHBondContact CA-OH 3.4Å; K224-Y270 PolarHBondContact N-OH 3.35Å; Q227-Y270 PolarHBondContact OE1-OH 3.43Å; K266-Y270 WeakPolarHBondContact O-CB 3.35Å; K266-Y270 PolarHBondContact O-N 3.01Å; L267-Y270 WeakPolarHBondContact O-CB 3.46Å; L267-Y270 PolarHBondContact O-N 2.87Å; L267-Y270 VanDerWaalsContact O-N 3.09Å; Q268-Y270 PolarHBondContact O-N 2.83Å; Y270-D272 PolarHBondContact O-N 2.91Å; Y270-N273 PolarHBondContact O-N 3.41Å; Y270-H274 AromaticContact CD1-ND1 3.96Å; Y270-H274 AromaticContact CD2-CE1 3.6Å; Y270-H274 AromaticContact CD2-ND1 3.74Å; Y270-H274 HydrophobicContact CE1-CB 4.25Å; Y270-H274 AromaticContact CE1-CG 3.92Å; Y270-H274 AromaticContact CE1-ND1 3.98Å; Y270-H274 AromaticContact CE2-CE1 3.43Å; Y270-H274 VanDerWaalsContact CE2-CE1 3.43Å; Y270-H274 WeakPolarHBondContact CE2-CE1 3.26Å; Y270-H274 AromaticContact CE2-ND1 3.78Å; Y270-H274 AromaticContact CE2-NE2 3.69Å; Y270-H274 AromaticContact CG-ND1 3.83Å; Y270-H274 AromaticContact CZ-CD2 3.88Å; Y270-H274 AromaticContact CZ-CE1 3.85Å; Y270-H274 AromaticContact CZ-CG 3.94Å; Y270-H274 AromaticContact CZ-ND1 3.9Å; Y270-H274 AromaticContact CZ-NE2 3.83Å; Y270-H274 WeakPolarHBondContact O-CB 3.48Å; Y270-H274 PolarHBondContact O-N 2.78Å; Y270-H274 PolarHBondContact O-ND1 3.44Å; Y270-F275 HydrophobicContact CD1-CE2 4.08Å; Y270-F275 HydrophobicContact CE1-CE2 4.02Å; Y270-F285 HydrophobicContact CD1-CE1 4.14Å; Y270-F285 HydrophobicContact CD1-CE2 4.48Å; Y270-F285 AromaticContact CD1-CZ 3.79Å; Y270-F285 HydrophobicContact CD1-CZ 3.79Å; Y270-F285 HydrophobicContact CE1-CE1 4.47Å; Y270-F285 HydrophobicContact CE1-CE2 4.05Å; Y270-F285 AromaticContact CE1-CZ 3.81Å; Y270-F285 HydrophobicContact CE1-CZ 3.81Å
271L93.6Very high92.3Very high3 Ų368.9 Ų68.92%0.01633%0.327CS..Hα-helixtrans-60.2-44.8177.7-68173.7000112.1L267 Q268 F275 K282 F285 L286 F315L267-L271 HydrophobicContact CD1-CG 4.35Å; L267-L271 HydrophobicContact CG-CD1 4.35Å; L267-L271 WeakPolarHBondContact O-CG 3.34Å; L267-L271 PolarHBondContact O-N 3.45Å; Q268-L271 PolarHBondContact O-N 3.17Å; Q268-L271 VanDerWaalsContact O-N 3.12Å; L271-F275 HydrophobicContact CD2-CD2 4.03Å; L271-F275 HydrophobicContact CD2-CE2 4.1Å; L271-F275 PolarHBondContact O-N 2.92Å; L271-F275 VanDerWaalsContact O-N 3.16Å; L271-K282 HydrophobicContact CD2-CB 4.36Å; L271-K282 HydrophobicContact CD2-CG 4.14Å; L271-F285 HydrophobicContact CD2-CD1 3.66Å; L271-F285 HydrophobicContact CD2-CE1 3.79Å; L271-L286 HydrophobicContact CD1-CD1 4.42Å; L271-L286 HydrophobicContact CD1-CD2 4.36Å; L271-L286 HydrophobicContact CD2-CD2 4.4Å; L271-L286 HydrophobicContact CD2-CG 4.35Å; L271-F315 HydrophobicContact CD1-CD1 3.56Å; L271-F315 HydrophobicContact CD1-CE1 3.95Å; L271-F315 HydrophobicContact CD1-CG 4.28Å
272D87.8Confident92.3Very high78 Ų7865.8 Ų65.842%0.41731%0.306SS..Hα-helixtrans-64.8-41-179.3-62.3-22000111.7Q268 Y270Q268-D272 PolarHBondContact NE2-OD1 3.21Å; Q268-D272 PolarHBondContact NE2-OD2 2.92Å; Q268-D272 PolarHBondContact O-N 2.78Å; Y270-D272 PolarHBondContact O-N 2.91Å
273N85.4Confident92.2Very high31 Ų3167.5 Ų67.517%0.16631%0.311CS..Hα-helixtrans-76.8-33.1-178.2-70-17.3000113.4R115 S269 Y270R115-N273 PolarHBondContact NH1-OD1 2.94Å; R115-N273 PolarHBondContact NH2-ND2 3.02Å; R115-N273 PolarHBondContact NH2-OD1 3.16Å; S269-N273 WeakPolarHBondContact O-CB 3.41Å; S269-N273 PolarHBondContact O-N 3.28Å; S269-N273 PolarHBondContact O-ND2 3.3Å; S269-N273 VanDerWaalsContact O-ND2 3.16Å; Y270-N273 PolarHBondContact O-N 3.41Å
274H88.5Confident92.2Very high43 Ų4370.2 Ų70.220%0.19933%0.325CS..Hα-helixtrans-104-19.8-167.1-65.875.4000115.5N64 Q227 Y270N64-H274 VanDerWaalsContact ND2-CA 3.3Å; N64-H274 WeakPolarHBondContact ND2-CA 3.18Å; N64-H274 PolarHBondContact ND2-O 3.11Å; Q227-H274 PolarHBondContact OE1-CD2 3.44Å; Y270-H274 AromaticContact CD1-ND1 3.96Å; Y270-H274 AromaticContact CD2-CE1 3.6Å; Y270-H274 AromaticContact CD2-ND1 3.74Å; Y270-H274 HydrophobicContact CE1-CB 4.25Å; Y270-H274 AromaticContact CE1-CG 3.92Å; Y270-H274 AromaticContact CE1-ND1 3.98Å; Y270-H274 AromaticContact CE2-CE1 3.43Å; Y270-H274 VanDerWaalsContact CE2-CE1 3.43Å; Y270-H274 WeakPolarHBondContact CE2-CE1 3.26Å; Y270-H274 AromaticContact CE2-ND1 3.78Å; Y270-H274 AromaticContact CE2-NE2 3.69Å; Y270-H274 AromaticContact CG-ND1 3.83Å; Y270-H274 AromaticContact CZ-CD2 3.88Å; Y270-H274 AromaticContact CZ-CE1 3.85Å; Y270-H274 AromaticContact CZ-CG 3.94Å; Y270-H274 AromaticContact CZ-ND1 3.9Å; Y270-H274 AromaticContact CZ-NE2 3.83Å; Y270-H274 WeakPolarHBondContact O-CB 3.48Å; Y270-H274 PolarHBondContact O-N 2.78Å; Y270-H274 PolarHBondContact O-ND1 3.44Å
275F89.3Confident92.2Very high18 Ų1866.5 Ų66.58%0.07931%0.308CS..Hα-helixtrans-126.7-9.3-171.1-57.2-94.3000113.6Q227 Y270 L271 E277 D278 A281 K282 F285Q227-F275 HydrophobicContact CG-CZ 4.13Å; Y270-F275 HydrophobicContact CD1-CE2 4.08Å; Y270-F275 HydrophobicContact CE1-CE2 4.02Å; L271-F275 HydrophobicContact CD2-CD2 4.03Å; L271-F275 HydrophobicContact CD2-CE2 4.1Å; L271-F275 PolarHBondContact O-N 2.92Å; L271-F275 VanDerWaalsContact O-N 3.16Å; F275-E277 PolarHBondContact O-N 2.78Å; F275-E277 VanDerWaalsContact O-N 3.12Å; F275-D278 WeakPolarHBondContact O-CB 3.42Å; F275-D278 PolarHBondContact O-N 3.09Å; F275-A281 HydrophobicContact CD1-CB 3.72Å; F275-A281 HydrophobicContact CE1-CB 4.18Å; F275-A281 WeakPolarHBondContact CE1-O 3.14Å; F275-K282 HydrophobicContact CB-CD 4.16Å; F275-K282 HydrophobicContact CB-CG 3.36Å; F275-K282 HydrophobicContact CD1-CG 4.26Å; F275-K282 HydrophobicContact CD2-CG 4.32Å; F275-K282 HydrophobicContact CG-CG 3.75Å; F275-F285 HydrophobicContact CE1-CB 3.67Å; F275-F285 HydrophobicContact CE1-CG 4.09Å; F275-F285 HydrophobicContact CE2-CB 4.4Å; F275-F285 AromaticContact CE2-CD1 3.85Å; F275-F285 HydrophobicContact CE2-CD1 3.85Å; F275-F285 HydrophobicContact CE2-CD2 4.45Å; F275-F285 HydrophobicContact CE2-CE1 4.21Å; F275-F285 AromaticContact CE2-CG 3.97Å; F275-F285 HydrophobicContact CE2-CG 3.97Å; F275-F285 HydrophobicContact CZ-CB 3.47Å; F275-F285 VanDerWaalsContact CZ-CB 3.47Å; F275-F285 AromaticContact CZ-CD1 3.71Å; F275-F285 HydrophobicContact CZ-CD1 3.71Å; F275-F285 AromaticContact CZ-CD2 3.76Å; F275-F285 HydrophobicContact CZ-CD2 3.76Å; F275-F285 HydrophobicContact CZ-CE1 4.38Å; F275-F285 HydrophobicContact CZ-CE2 4.41Å; F275-F285 AromaticContact CZ-CG 3.34Å; F275-F285 HydrophobicContact CZ-CG 3.34Å
276Q82.6Confident92.3Very high98 Ų9858 Ų5846%0.45828%0.276SS..THydrogen-bonded Turntrans46.3-118.6179-57.6-178.23.300111.8A135 K282A135-Q276 PolarHBondContact O-NE2 2.81Å; Q276-K282 WeakPolarHBondContact O-CE 3.15Å; Q276-K282 PolarHBondContact O-NZ 2.81Å
277E84.8Confident92.4Very high181 Ų18156.4 Ų56.485%0.84628%0.277SS*.THydrogen-bonded Turntrans-96.45.4177.9-61.3-172.2159.500114.1F275 W279F275-E277 PolarHBondContact O-N 2.78Å; F275-E277 VanDerWaalsContact O-N 3.12Å; E277-W279 VanDerWaalsContact C-N 3.29Å; E277-W279 PolarHBondContact O-N 3.28Å
278D89.4Confident92.5Very high86 Ų8657.3 Ų57.346%0.4628%0.283SS..  trans-75.380177.3-169.3-15.4000111.3F275 K280 A281 K282F275-D278 WeakPolarHBondContact O-CB 3.42Å; F275-D278 PolarHBondContact O-N 3.09Å; D278-K280 PolarHBondContact O-N 2.84Å; D278-K280 PolarHBondContact OD1-N 3.19Å; D278-A281 HydrophobicContact CB-CB 4.13Å; D278-A281 PolarHBondContact O-N 3.14Å; D278-A281 WeakPolarHBondContact OD1-CB 3.48Å; D278-A281 PolarHBondContact OD1-N 3.29Å; D278-A281 VanDerWaalsContact OD2-CB 3.29Å; D278-A281 WeakPolarHBondContact OD2-CB 3.41Å; D278-K282 WeakPolarHBondContact O-CG 3.49Å; D278-K282 PolarHBondContact O-N 2.94Å
279W92.1Very high92.6Very high141 Ų14154 Ų5453%0.53427%0.268SS..Hα-helixtrans-60.1-31.6179.555.8-93.7000112.7E277 Y283 V319 P323E277-W279 VanDerWaalsContact C-N 3.29Å; E277-W279 PolarHBondContact O-N 3.28Å; W279-Y283 WeakPolarHBondContact O-CB 3.33Å; W279-Y283 PolarHBondContact O-N 3.04Å; W279-V319 HydrophobicContact CB-CG1 4.08Å; W279-V319 WeakPolarHBondContact O-CG1 3.13Å; W279-P323 HydrophobicContact CD2-CG 3.88Å; W279-P323 HydrophobicContact CE3-CG 4.22Å; W279-P323 HydrophobicContact CG-CG 4.02Å
280K93.1Very high93Very high115 Ų11555 Ų5550%0.527%0.265SS..Hα-helixtrans-69.4-50.2179.5178.3171.4169.444.10110.1D278 K282 Y283 D284D278-K280 PolarHBondContact O-N 2.84Å; D278-K280 PolarHBondContact OD1-N 3.19Å; K280-K282 VanDerWaalsContact C-N 3.29Å; K280-K282 PolarHBondContact O-N 3.39Å; K280-Y283 PolarHBondContact O-N 3.46Å; K280-D284 IonicContact NZ-OD1 3.94Å; K280-D284 IonicContact NZ-OD2 3.02Å; K280-D284 PolarHBondContact NZ-OD2 2.63Å; K280-D284 PolarHBondContact O-N 3.26Å
281A93.7Very high93.2Very high28 Ų2858.9 Ų58.923%0.23128%0.279CS..Hα-helixtrans-63.1-36177.100000112.1F275 D278 F285F275-A281 HydrophobicContact CD1-CB 3.72Å; F275-A281 HydrophobicContact CE1-CB 4.18Å; F275-A281 WeakPolarHBondContact CE1-O 3.14Å; D278-A281 HydrophobicContact CB-CB 4.13Å; D278-A281 PolarHBondContact O-N 3.14Å; D278-A281 WeakPolarHBondContact OD1-CB 3.48Å; D278-A281 PolarHBondContact OD1-N 3.29Å; D278-A281 VanDerWaalsContact OD2-CB 3.29Å; D278-A281 WeakPolarHBondContact OD2-CB 3.41Å; A281-F285 WeakPolarHBondContact O-CB 3.27Å; A281-F285 PolarHBondContact O-N 3.27Å
282K95.9Very high93.4Very high34 Ų3458.7 Ų58.715%0.14828%0.278CS..Hα-helixtrans-58.5-48.5171.6-73.2-176.3-173.5179.50111.8L271 F275 Q276 D278 K280 F285 L286 V319L271-K282 HydrophobicContact CD2-CB 4.36Å; L271-K282 HydrophobicContact CD2-CG 4.14Å; F275-K282 HydrophobicContact CB-CD 4.16Å; F275-K282 HydrophobicContact CB-CG 3.36Å; F275-K282 HydrophobicContact CD1-CG 4.26Å; F275-K282 HydrophobicContact CD2-CG 4.32Å; F275-K282 HydrophobicContact CG-CG 3.75Å; Q276-K282 WeakPolarHBondContact O-CE 3.15Å; Q276-K282 PolarHBondContact O-NZ 2.81Å; D278-K282 WeakPolarHBondContact O-CG 3.49Å; D278-K282 PolarHBondContact O-N 2.94Å; K280-K282 VanDerWaalsContact C-N 3.29Å; K280-K282 PolarHBondContact O-N 3.39Å; K282-F285 PolarHBondContact O-N 3.32Å; K282-L286 WeakPolarHBondContact O-CB 3.28Å; K282-L286 WeakPolarHBondContact O-CD1 3.42Å; K282-L286 VanDerWaalsContact O-CG 3.24Å; K282-L286 WeakPolarHBondContact O-CG 3.41Å; K282-L286 PolarHBondContact O-N 3.2Å; K282-V319 HydrophobicContact CB-CG1 3.9Å; K282-V319 HydrophobicContact CB-CG2 4.09Å; K282-V319 HydrophobicContact CD-CG2 4.23Å
283Y96.6Very high93.8Very high97 Ų9755 Ų5538%0.3826%0.259SS..Hα-helixtrans-64.6-46.7-178.9-173.6-88.3000111.7W279 K280 F285 L286 G287 M316W279-Y283 WeakPolarHBondContact O-CB 3.33Å; W279-Y283 PolarHBondContact O-N 3.04Å; K280-Y283 PolarHBondContact O-N 3.46Å; Y283-F285 VanDerWaalsContact C-N 3.32Å; Y283-F285 PolarHBondContact O-N 2.99Å; Y283-L286 PolarHBondContact O-N 3.47Å; Y283-G287 PolarHBondContact O-N 3.28Å; Y283-M316 HydrophobicContact CD2-CB 4.29Å; Y283-M316 HydrophobicContact CD2-CE 4.4Å; Y283-M316 HydrophobicContact CE1-CE 4.14Å; Y283-M316 HydrophobicContact CE2-CB 4.05Å; Y283-M316 HydrophobicContact CE2-CE 3.76Å
284D96.8Very high94.4Very high66 Ų6657.6 Ų57.635%0.35327%0.272SS..Hα-helixtrans-61.5-42179-68.4-21.5000110.6K280 G287 V288K280-D284 IonicContact NZ-OD1 3.94Å; K280-D284 IonicContact NZ-OD2 3.02Å; K280-D284 PolarHBondContact NZ-OD2 2.63Å; K280-D284 PolarHBondContact O-N 3.26Å; D284-G287 PolarHBondContact O-N 2.97Å; D284-V288 WeakPolarHBondContact O-CG2 3.46Å; D284-V288 PolarHBondContact O-N 2.69Å; D284-V288 VanDerWaalsContact O-N 3.13Å
285F98.2Very high94.7Very high0 Ų061.3 Ų61.30%029%0.29CS..Hα-helixtrans-60.1-48172.9164.6-105.3000113.2L223 C226 Q227 A230 L267 Y270 L271 F275 A281 K282 Y283 G287 V288 L289L223-F285 HydrophobicContact CB-CZ 4.28Å; L223-F285 HydrophobicContact CD2-CZ 4.25Å; L223-F285 WeakPolarHBondContact O-CE2 3.47Å; C226-F285 HydrophobicContact CB-CD2 4.13Å; C226-F285 HydrophobicContact CB-CE2 3.77Å; Q227-F285 HydrophobicContact CB-CD2 4.15Å; Q227-F285 HydrophobicContact CB-CE2 4.23Å; A230-F285 HydrophobicContact CB-CB 4.29Å; L267-F285 HydrophobicContact CD1-CE1 3.9Å; L267-F285 HydrophobicContact CD1-CZ 4.42Å; Y270-F285 HydrophobicContact CD1-CE1 4.14Å; Y270-F285 HydrophobicContact CD1-CE2 4.48Å; Y270-F285 AromaticContact CD1-CZ 3.79Å; Y270-F285 HydrophobicContact CD1-CZ 3.79Å; Y270-F285 HydrophobicContact CE1-CE1 4.47Å; Y270-F285 HydrophobicContact CE1-CE2 4.05Å; Y270-F285 AromaticContact CE1-CZ 3.81Å; Y270-F285 HydrophobicContact CE1-CZ 3.81Å; L271-F285 HydrophobicContact CD2-CD1 3.66Å; L271-F285 HydrophobicContact CD2-CE1 3.79Å; F275-F285 HydrophobicContact CE1-CB 3.67Å; F275-F285 HydrophobicContact CE1-CG 4.09Å; F275-F285 HydrophobicContact CE2-CB 4.4Å; F275-F285 AromaticContact CE2-CD1 3.85Å; F275-F285 HydrophobicContact CE2-CD1 3.85Å; F275-F285 HydrophobicContact CE2-CD2 4.45Å; F275-F285 HydrophobicContact CE2-CE1 4.21Å; F275-F285 AromaticContact CE2-CG 3.97Å; F275-F285 HydrophobicContact CE2-CG 3.97Å; F275-F285 HydrophobicContact CZ-CB 3.47Å; F275-F285 VanDerWaalsContact CZ-CB 3.47Å; F275-F285 AromaticContact CZ-CD1 3.71Å; F275-F285 HydrophobicContact CZ-CD1 3.71Å; F275-F285 AromaticContact CZ-CD2 3.76Å; F275-F285 HydrophobicContact CZ-CD2 3.76Å; F275-F285 HydrophobicContact CZ-CE1 4.38Å; F275-F285 HydrophobicContact CZ-CE2 4.41Å; F275-F285 AromaticContact CZ-CG 3.34Å; F275-F285 HydrophobicContact CZ-CG 3.34Å; A281-F285 WeakPolarHBondContact O-CB 3.27Å; A281-F285 PolarHBondContact O-N 3.27Å; K282-F285 PolarHBondContact O-N 3.32Å; Y283-F285 VanDerWaalsContact C-N 3.32Å; Y283-F285 PolarHBondContact O-N 2.99Å; F285-G287 VanDerWaalsContact C-N 3.32Å; F285-G287 PolarHBondContact O-N 2.97Å; F285-V288 PolarHBondContact O-N 3.38Å; F285-L289 HydrophobicContact CE1-CD2 4.34Å; F285-L289 HydrophobicContact CZ-CD2 4.24Å; F285-L289 WeakPolarHBondContact O-CB 3.41Å; F285-L289 PolarHBondContact O-N 3.45Å
286L98.5Very high94.9Very high0 Ų060.6 Ų60.60%029%0.287CS..Hα-helixtrans-64.6-37.5-179.4-71.9165.1000111.7L267 L271 K282 Y283 L289 Y290 I312 F315 M316 V319L267-L286 HydrophobicContact CD1-CD2 4.11Å; L267-L286 HydrophobicContact CD2-CD2 4.01Å; L267-L286 HydrophobicContact CG-CD2 4.38Å; L271-L286 HydrophobicContact CD1-CD1 4.42Å; L271-L286 HydrophobicContact CD1-CD2 4.36Å; L271-L286 HydrophobicContact CD2-CD2 4.4Å; L271-L286 HydrophobicContact CD2-CG 4.35Å; K282-L286 WeakPolarHBondContact O-CB 3.28Å; K282-L286 WeakPolarHBondContact O-CD1 3.42Å; K282-L286 VanDerWaalsContact O-CG 3.24Å; K282-L286 WeakPolarHBondContact O-CG 3.41Å; K282-L286 PolarHBondContact O-N 3.2Å; Y283-L286 PolarHBondContact O-N 3.47Å; L286-L289 PolarHBondContact O-N 2.93Å; L286-Y290 WeakPolarHBondContact O-CB 3.31Å; L286-Y290 PolarHBondContact O-N 3.32Å; L286-I312 HydrophobicContact CB-CG2 4.31Å; L286-I312 HydrophobicContact CD2-CG2 4.16Å; L286-I312 WeakPolarHBondContact O-CG2 3.42Å; L286-F315 HydrophobicContact CD1-CB 3.81Å; L286-F315 HydrophobicContact CD2-CB 3.97Å; L286-M316 HydrophobicContact CB-CG 3.42Å; L286-M316 VanDerWaalsContact CB-CG 3.42Å; L286-M316 HydrophobicContact CB-SD 4.16Å; L286-M316 HydrophobicContact CD1-CG 3.97Å; L286-M316 HydrophobicContact CG-CG 4.28Å; L286-V319 HydrophobicContact CD1-CG2 4.1Å
287G98.3Very high95.4Very high28 Ų2857 Ų5729%0.28927%0.272SS..Hα-helixtrans-63-41.1174.200000112.7Y283 D284 F285 R291Y283-G287 PolarHBondContact O-N 3.28Å; D284-G287 PolarHBondContact O-N 2.97Å; F285-G287 VanDerWaalsContact C-N 3.32Å; F285-G287 PolarHBondContact O-N 2.97Å; G287-R291 PolarHBondContact O-N 3.41Å; G287-R291 VanDerWaalsContact O-N 3.14Å
288V98.4Very high95.4Very high26 Ų2651.7 Ų51.716%0.15825%0.252CS..Hα-helixtrans-65-45.6173.2172.60000111.2C226 L229 A230 D284 F285 Y290 R291 V292C226-V288 HydrophobicContact CB-CG1 3.98Å; L229-V288 HydrophobicContact CB-CG1 3.7Å; L229-V288 HydrophobicContact CD1-CG1 3.79Å; L229-V288 HydrophobicContact CG-CG1 4.44Å; A230-V288 HydrophobicContact CB-CG2 4.21Å; D284-V288 WeakPolarHBondContact O-CG2 3.46Å; D284-V288 PolarHBondContact O-N 2.69Å; D284-V288 VanDerWaalsContact O-N 3.13Å; F285-V288 PolarHBondContact O-N 3.38Å; V288-Y290 VanDerWaalsContact C-N 3.34Å; V288-Y290 PolarHBondContact O-N 2.98Å; V288-R291 PolarHBondContact O-N 3.48Å; V288-V292 HydrophobicContact CG1-CG2 4.26Å; V288-V292 WeakPolarHBondContact O-CG2 3.49Å; V288-V292 PolarHBondContact O-N 3.32Å
289L98.6Very high94.5Very high4 Ų453.9 Ų53.92%0.02127%0.272CS..Hα-helixtrans-59.4-45.5178.5179.462.9000111.4L222 L223 C226 L267 F285 L286 R291 V292 V293 I312L222-L289 HydrophobicContact CD2-CD1 4.17Å; L222-L289 HydrophobicContact CG-CD1 4.12Å; L223-L289 HydrophobicContact CD2-CD1 3.92Å; L223-L289 HydrophobicContact CD2-CD2 3.92Å; C226-L289 HydrophobicContact CB-CB 4.3Å; C226-L289 HydrophobicContact CB-CD1 4.39Å; L267-L289 HydrophobicContact CD1-CD2 3.77Å; L267-L289 HydrophobicContact CD2-CD2 4.31Å; F285-L289 HydrophobicContact CE1-CD2 4.34Å; F285-L289 HydrophobicContact CZ-CD2 4.24Å; F285-L289 WeakPolarHBondContact O-CB 3.41Å; F285-L289 PolarHBondContact O-N 3.45Å; L286-L289 PolarHBondContact O-N 2.93Å; L289-R291 PolarHBondContact O-N 2.96Å; L289-V292 PolarHBondContact O-N 3.48Å; L289-V293 HydrophobicContact CD1-CG2 3.97Å; L289-V293 HydrophobicContact CG-CG2 4.42Å; L289-V293 WeakPolarHBondContact O-CB 3.46Å; L289-V293 VanDerWaalsContact O-CG2 3.28Å; L289-V293 WeakPolarHBondContact O-CG2 3.4Å; L289-V293 PolarHBondContact O-N 2.94Å; L289-I312 HydrophobicContact CD2-CD1 4.14Å; L289-I312 HydrophobicContact CD2-CG1 4.19Å; L289-I312 HydrophobicContact CG-CD1 3.93Å; L289-I312 HydrophobicContact CG-CG1 4.47Å
290Y98.4Very high93.3Very high65 Ų6549.7 Ų49.726%0.25526%0.26SS..Hα-helixtrans-54.2-53.8175.1-176.3-79.1000110.6L286 V288 V292 V293 D294 L309 I312 E313L286-Y290 WeakPolarHBondContact O-CB 3.31Å; L286-Y290 PolarHBondContact O-N 3.32Å; V288-Y290 VanDerWaalsContact C-N 3.34Å; V288-Y290 PolarHBondContact O-N 2.98Å; Y290-V292 PolarHBondContact O-N 2.87Å; Y290-V293 PolarHBondContact O-N 2.97Å; Y290-D294 HydrophobicContact CE1-CB 4.35Å; Y290-D294 WeakPolarHBondContact O-CB 3.48Å; Y290-D294 PolarHBondContact O-N 3.34Å; Y290-L309 HydrophobicContact CD1-CD2 4.45Å; Y290-L309 HydrophobicContact CD2-CB 4.37Å; Y290-L309 HydrophobicContact CD2-CD2 3.88Å; Y290-L309 HydrophobicContact CE1-CD2 4.39Å; Y290-L309 HydrophobicContact CE2-CB 3.77Å; Y290-L309 HydrophobicContact CE2-CD2 3.84Å; Y290-L309 HydrophobicContact CE2-CG 4.28Å; Y290-L309 HydrophobicContact CG-CD2 4.18Å; Y290-I312 HydrophobicContact CD2-CB 4.41Å; Y290-I312 HydrophobicContact CD2-CG2 4.28Å; Y290-E313 HydrophobicContact CD2-CG 3.91Å; Y290-E313 HydrophobicContact CE2-CG 3.56Å
291R97.9Very high92.3Very high94 Ų9451 Ų5136%0.35527%0.27SS..Hα-helixtrans-58.6-48.4-178.9-176.3-171.56481.11.4112.1G287 V288 L289 V293 D294 E295G287-R291 PolarHBondContact O-N 3.41Å; G287-R291 VanDerWaalsContact O-N 3.14Å; V288-R291 PolarHBondContact O-N 3.48Å; L289-R291 PolarHBondContact O-N 2.96Å; R291-V293 PolarHBondContact O-N 3.23Å; R291-D294 PolarHBondContact O-N 2.93Å; R291-E295 VanDerWaalsContact CG-CD 3.48Å; R291-E295 HydrophobicContact CG-CG 4.26Å; R291-E295 WeakPolarHBondContact CG-OE1 3.38Å; R291-E295 IonicContact CZ-OE2 3.42Å; R291-E295 IonicContact NH1-OE2 2.79Å; R291-E295 PolarHBondContact NH1-OE2 3.46Å; R291-E295 WeakPolarHBondContact O-CB 3.22Å; R291-E295 WeakPolarHBondContact O-CG 3.5Å; R291-E295 PolarHBondContact O-N 2.84Å
292V97.3Very high91.6Very high0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-64.3-41.9-178.41740000110.9L222 Y225 L229 E246 V288 L289 Y290 S296L222-V292 HydrophobicContact CD1-CG1 3.8Å; Y225-V292 HydrophobicContact CD1-CG1 4.49Å; Y225-V292 HydrophobicContact CE1-CG1 4.3Å; Y225-V292 HydrophobicContact CE1-CG2 4.23Å; L229-V292 HydrophobicContact CD1-CG2 4.05Å; E246-V292 HydrophobicContact CB-CG1 4.5Å; E246-V292 HydrophobicContact CG-CG1 4.33Å; V288-V292 HydrophobicContact CG1-CG2 4.26Å; V288-V292 WeakPolarHBondContact O-CG2 3.49Å; V288-V292 PolarHBondContact O-N 3.32Å; L289-V292 PolarHBondContact O-N 3.48Å; Y290-V292 PolarHBondContact O-N 2.87Å; V292-S296 VanDerWaalsContact O-CB 3.29Å; V292-S296 WeakPolarHBondContact O-CB 3.49Å; V292-S296 PolarHBondContact O-N 3.46Å
293V96.8Very high91.2Very high1 Ų158.9 Ų58.91%0.00631%0.306CS..Hα-helixtrans-65.6-42.4177.8171.40000111.3L222 F254 L289 Y290 R291 T297 L305 T308 L309 I312L222-V293 HydrophobicContact CD2-CG2 4.07Å; F254-V293 HydrophobicContact CZ-CG1 4.42Å; L289-V293 HydrophobicContact CD1-CG2 3.97Å; L289-V293 HydrophobicContact CG-CG2 4.42Å; L289-V293 WeakPolarHBondContact O-CB 3.46Å; L289-V293 VanDerWaalsContact O-CG2 3.28Å; L289-V293 WeakPolarHBondContact O-CG2 3.4Å; L289-V293 PolarHBondContact O-N 2.94Å; Y290-V293 PolarHBondContact O-N 2.97Å; R291-V293 PolarHBondContact O-N 3.23Å; V293-T297 WeakPolarHBondContact O-CB 3.48Å; V293-T297 PolarHBondContact O-N 3.25Å; V293-T297 PolarHBondContact O-OG1 2.97Å; V293-L305 HydrophobicContact CG1-CD1 3.64Å; V293-T308 HydrophobicContact CG1-CG2 4.23Å; V293-L309 HydrophobicContact CB-CD2 4.11Å; V293-L309 HydrophobicContact CG1-CD2 3.82Å; V293-L309 HydrophobicContact CG1-CG 4.44Å; V293-I312 HydrophobicContact CB-CD1 4.49Å; V293-I312 HydrophobicContact CG2-CD1 4.32Å
294D96.2Very high90.9Very high84 Ų8457.4 Ų57.445%0.44931%0.305SS..Hα-helixtrans-65.2-45.5178.5-170.442.6000112.1Y290 R291 L309Y290-D294 HydrophobicContact CE1-CB 4.35Å; Y290-D294 WeakPolarHBondContact O-CB 3.48Å; Y290-D294 PolarHBondContact O-N 3.34Å; R291-D294 PolarHBondContact O-N 2.93Å; D294-L309 HydrophobicContact CB-CD1 4.24Å; D294-L309 HydrophobicContact CB-CD2 4.06Å
295E94.9Very high90.8Very high121 Ų12155.4 Ų55.457%0.56529%0.294SS*.Hα-helixtrans-79.6-30.8-174.2-69.2175.6173.900114.1R291R291-E295 VanDerWaalsContact CG-CD 3.48Å; R291-E295 HydrophobicContact CG-CG 4.26Å; R291-E295 WeakPolarHBondContact CG-OE1 3.38Å; R291-E295 IonicContact CZ-OE2 3.42Å; R291-E295 IonicContact NH1-OE2 2.79Å; R291-E295 PolarHBondContact NH1-OE2 3.46Å; R291-E295 WeakPolarHBondContact O-CB 3.22Å; R291-E295 WeakPolarHBondContact O-CG 3.5Å; R291-E295 PolarHBondContact O-N 2.84Å
296S94.8Very high90.6Very high4 Ų463.2 Ų63.23%0.02832%0.323CS..Hα-helixtrans-114.5-3-167.7-74.40000115E246 R247 V292E246-S296 WeakPolarHBondContact CB-OG 3.27Å; E246-S296 PolarHBondContact OE2-OG 2.96Å; R247-S296 WeakPolarHBondContact CA-O 3.45Å; R247-S296 VanDerWaalsContact CG-O 3.25Å; R247-S296 WeakPolarHBondContact CG-O 3.36Å; V292-S296 VanDerWaalsContact O-CB 3.29Å; V292-S296 WeakPolarHBondContact O-CB 3.49Å; V292-S296 PolarHBondContact O-N 3.46Å
297T92.6Very high90.5Very high21 Ų2166.5 Ų66.513%0.12934%0.34CS..  trans-76.2129.9173.2-610000111.1F254 V293 L300 L305F254-T297 HydrophobicContact CD2-CG2 4.49Å; F254-T297 HydrophobicContact CE2-CG2 3.91Å; F254-T297 HydrophobicContact CZ-CG2 4.48Å; V293-T297 WeakPolarHBondContact O-CB 3.48Å; V293-T297 PolarHBondContact O-N 3.25Å; V293-T297 PolarHBondContact O-OG1 2.97Å; T297-L300 HydrophobicContact CG2-CB 4.15Å; T297-L300 HydrophobicContact CG2-CD1 3.28Å; T297-L300 HydrophobicContact CG2-CG 3.69Å; T297-L305 HydrophobicContact CG2-CD1 4.1Å; T297-L305 HydrophobicContact CG2-CD2 4.49Å
298V84Confident90.4Very high70 Ų7065.4 Ų65.442%0.42433%0.328SS..  trans-131151.3-179.3-167.90000108.9R247 L300R247-V298 HydrophobicContact CG-CG2 3.88Å; V298-L300 PolarHBondContact O-N 3.23Å; V298-L300 VanDerWaalsContact O-N 3.09Å
299C71.5Confident90.3Very high132 Ų13264.7 Ų64.789%0.89232%0.324SS*.SBendtrans6211.3173.4-610000117.1
300L66.7Low90.3Very high53 Ų5367 Ų6728%0.27734%0.34SS..SBendtrans-81.7154.3168.5-69.9-176.7000111.7F254 T297 V298 N302F254-L300 HydrophobicContact CB-CD1 4.49Å; F254-L300 HydrophobicContact CB-CD2 4.28Å; F254-L300 HydrophobicContact CD1-CD1 3.6Å; F254-L300 HydrophobicContact CD1-CD2 4.49Å; F254-L300 HydrophobicContact CD2-CD1 3.46Å; F254-L300 VanDerWaalsContact CD2-CD1 3.46Å; F254-L300 HydrophobicContact CD2-CG 4.41Å; F254-L300 HydrophobicContact CE1-CD1 3.5Å; F254-L300 HydrophobicContact CE2-CD1 3.41Å; F254-L300 VanDerWaalsContact CE2-CD1 3.41Å; F254-L300 HydrophobicContact CG-CD1 3.58Å; F254-L300 HydrophobicContact CG-CD2 4.21Å; F254-L300 HydrophobicContact CG-CG 4.47Å; F254-L300 HydrophobicContact CZ-CD1 3.42Å; F254-L300 VanDerWaalsContact CZ-CD1 3.42Å; T297-L300 HydrophobicContact CG2-CB 4.15Å; T297-L300 HydrophobicContact CG2-CD1 3.28Å; T297-L300 HydrophobicContact CG2-CG 3.69Å; V298-L300 PolarHBondContact O-N 3.23Å; V298-L300 VanDerWaalsContact O-N 3.09Å; L300-N302 PolarHBondContact O-N 3.47Å
301M72.3Confident90.2Very high144 Ų14464.3 Ų64.371%0.70933%0.33SS*.  trans-59.8126.1161.3-64.4-17972.500107.5H303 D304M301-H303 PolarHBondContact O-N 2.88Å; M301-D304 PolarHBondContact O-N 3.02Å
302N79Confident90.2Very high122 Ų12260.1 Ų60.165%0.65232%0.315SS*.Hα-helixtrans-51.6-15.7179-79.5-34.4000114L300 R306L300-N302 PolarHBondContact O-N 3.47Å; N302-R306 WeakPolarHBondContact O-CB 3.29Å; N302-R306 VanDerWaalsContact O-CG 3.27Å; N302-R306 WeakPolarHBondContact O-CG 3.43Å; N302-R306 PolarHBondContact O-N 2.93Å; N302-R306 PolarHBondContact O-NE 3.43Å
303H87Confident90.3Very high105 Ų10563.4 Ų63.449%0.48633%0.33SS..Hα-helixtrans-70.2-50.6172.3-175.161.1000112.6M301 L305 R306 L307M301-H303 PolarHBondContact O-N 2.88Å; H303-L305 VanDerWaalsContact C-N 3.35Å; H303-L305 PolarHBondContact O-N 3.27Å; H303-R306 PolarHBondContact O-N 2.94Å; H303-R306 VanDerWaalsContact O-N 3.14Å; H303-L307 WeakPolarHBondContact NE2-CD1 3.49Å; H303-L307 WeakPolarHBondContact O-CG 3.35Å; H303-L307 PolarHBondContact O-N 3.41Å
304D90.6Very high90.3Very high65 Ų6567.3 Ų67.335%0.34835%0.351SS..Hα-helixtrans-65.7-40-175.1-57.8-29.6000111.6M301 L307 T308M301-D304 PolarHBondContact O-N 3.02Å; D304-L307 PolarHBondContact O-N 3.17Å; D304-T308 PolarHBondContact O-N 3.4Å; D304-T308 PolarHBondContact O-OG1 2.92Å
305L94.3Very high90.3Very high24 Ų2464.1 Ų64.113%0.12633%0.333CS..Hα-helixtrans-58.9-48.8172.8176.857.7000111V293 T297 H303 L307 T308 L309V293-L305 HydrophobicContact CG1-CD1 3.64Å; T297-L305 HydrophobicContact CG2-CD1 4.1Å; T297-L305 HydrophobicContact CG2-CD2 4.49Å; H303-L305 VanDerWaalsContact C-N 3.35Å; H303-L305 PolarHBondContact O-N 3.27Å; L305-L307 VanDerWaalsContact C-N 3.35Å; L305-L307 PolarHBondContact O-N 2.94Å; L305-T308 WeakPolarHBondContact O-CB 3.47Å; L305-T308 PolarHBondContact O-N 3Å; L305-L309 HydrophobicContact CD1-CD1 3.97Å; L305-L309 HydrophobicContact CD1-CD2 4.48Å; L305-L309 HydrophobicContact CD1-CG 3.98Å; L305-L309 HydrophobicContact CG-CD1 3.99Å; L305-L309 HydrophobicContact CG-CG 4.4Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 3.15Å
306R94.3Very high90.4Very high165 Ų16559.5 Ų59.562%0.62331%0.312SS*.Hα-helixtrans-62.7-38.8178.9-78.2-175.3-68.9171.8-0.6112.9N302 H303 T308 S310N302-R306 WeakPolarHBondContact O-CB 3.29Å; N302-R306 VanDerWaalsContact O-CG 3.27Å; N302-R306 WeakPolarHBondContact O-CG 3.43Å; N302-R306 PolarHBondContact O-N 2.93Å; N302-R306 PolarHBondContact O-NE 3.43Å; H303-R306 PolarHBondContact O-N 2.94Å; H303-R306 VanDerWaalsContact O-N 3.14Å; R306-T308 VanDerWaalsContact C-N 3.31Å; R306-T308 PolarHBondContact O-N 3.07Å; R306-S310 VanDerWaalsContact O-CB 3.25Å; R306-S310 WeakPolarHBondContact O-CB 3.39Å; R306-S310 PolarHBondContact O-N 3.07Å
307L95.7Very high90.4Very high68 Ų6866.3 Ų66.336%0.35634%0.338SS..Hα-helixtrans-61.9-41.5174.9-70.7179.6000111.7I260 H303 D304 L305 T311I260-L307 HydrophobicContact CD1-CB 4.11Å; I260-L307 HydrophobicContact CG1-CB 4.43Å; H303-L307 WeakPolarHBondContact NE2-CD1 3.49Å; H303-L307 WeakPolarHBondContact O-CG 3.35Å; H303-L307 PolarHBondContact O-N 3.41Å; D304-L307 PolarHBondContact O-N 3.17Å; L305-L307 VanDerWaalsContact C-N 3.35Å; L305-L307 PolarHBondContact O-N 2.94Å; L307-T311 WeakPolarHBondContact O-CB 3.39Å; L307-T311 PolarHBondContact O-N 3.44Å; L307-T311 PolarHBondContact O-OG1 2.65Å
308T96.8Very high90.4Very high5 Ų570.4 Ų70.43%0.03136%0.356CS..Hα-helixtrans-66.7-49.1179-52.30000111.3F253 F254 Q263 V293 D304 L305 R306 S310 T311 I312F253-T308 HydrophobicContact CE1-CG2 4.48Å; F254-T308 HydrophobicContact CE1-CG2 4.28Å; F254-T308 VanDerWaalsContact CE1-OG1 3.27Å; F254-T308 WeakPolarHBondContact CE1-OG1 3.28Å; F254-T308 HydrophobicContact CZ-CG2 4.08Å; Q263-T308 PolarHBondContact OE1-OG1 3.06Å; V293-T308 HydrophobicContact CG1-CG2 4.23Å; D304-T308 PolarHBondContact O-N 3.4Å; D304-T308 PolarHBondContact O-OG1 2.92Å; L305-T308 WeakPolarHBondContact O-CB 3.47Å; L305-T308 PolarHBondContact O-N 3Å; R306-T308 VanDerWaalsContact C-N 3.31Å; R306-T308 PolarHBondContact O-N 3.07Å; T308-S310 PolarHBondContact O-N 3.37Å; T308-T311 WeakPolarHBondContact O-CB 3.36Å; T308-T311 PolarHBondContact O-N 2.85Å; T308-T311 VanDerWaalsContact O-N 3.15Å; T308-I312 HydrophobicContact CG2-CD1 4.24Å; T308-I312 WeakPolarHBondContact O-CG1 3.05Å; T308-I312 PolarHBondContact O-N 3.46Å
309L97.4Very high90.7Very high12 Ų1267.6 Ų67.66%0.06334%0.339CS..Hα-helixtrans-60-46.3177.2-68.6176.8000111.4Y290 V293 D294 L305 T311 I312 E313Y290-L309 HydrophobicContact CD1-CD2 4.45Å; Y290-L309 HydrophobicContact CD2-CB 4.37Å; Y290-L309 HydrophobicContact CD2-CD2 3.88Å; Y290-L309 HydrophobicContact CE1-CD2 4.39Å; Y290-L309 HydrophobicContact CE2-CB 3.77Å; Y290-L309 HydrophobicContact CE2-CD2 3.84Å; Y290-L309 HydrophobicContact CE2-CG 4.28Å; Y290-L309 HydrophobicContact CG-CD2 4.18Å; V293-L309 HydrophobicContact CB-CD2 4.11Å; V293-L309 HydrophobicContact CG1-CD2 3.82Å; V293-L309 HydrophobicContact CG1-CG 4.44Å; D294-L309 HydrophobicContact CB-CD1 4.24Å; D294-L309 HydrophobicContact CB-CD2 4.06Å; L305-L309 HydrophobicContact CD1-CD1 3.97Å; L305-L309 HydrophobicContact CD1-CD2 4.48Å; L305-L309 HydrophobicContact CD1-CG 3.98Å; L305-L309 HydrophobicContact CG-CD1 3.99Å; L305-L309 HydrophobicContact CG-CG 4.4Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 3.15Å; L309-T311 VanDerWaalsContact C-N 3.27Å; L309-T311 PolarHBondContact O-N 3.19Å; L309-I312 PolarHBondContact O-N 3.15Å; L309-I312 VanDerWaalsContact O-N 3.1Å; L309-E313 WeakPolarHBondContact O-CG 3.36Å; L309-E313 PolarHBondContact O-N 3.29Å
310S97.3Very high91.5Very high52 Ų5264 Ų6436%0.36432%0.315SS..Hα-helixtrans-61.5-35.7175.6179.80000112.4R306 T308 E313 N314R306-S310 VanDerWaalsContact O-CB 3.25Å; R306-S310 WeakPolarHBondContact O-CB 3.39Å; R306-S310 PolarHBondContact O-N 3.07Å; T308-S310 PolarHBondContact O-N 3.37Å; S310-E313 PolarHBondContact O-N 3.23Å; S310-N314 PolarHBondContact O-N 3.42Å; S310-N314 PolarHBondContact O-ND2 2.86Å; S310-N314 VanDerWaalsContact O-ND2 3.15Å
311T97.5Very high92.3Very high9 Ų963.4 Ų63.46%0.05531%0.311CS..Hα-helixtrans-63.2-46.2172.8-71.50000111.5I260 Q264 L307 T308 L309 E313 N314 F315I260-T311 VanDerWaalsContact CD1-OG1 3.28Å; I260-T311 WeakPolarHBondContact CD1-OG1 3.35Å; Q264-T311 HydrophobicContact CG-CG2 3.44Å; Q264-T311 VanDerWaalsContact CG-CG2 3.44Å; Q264-T311 PolarHBondContact NE2-OG1 2.97Å; L307-T311 WeakPolarHBondContact O-CB 3.39Å; L307-T311 PolarHBondContact O-N 3.44Å; L307-T311 PolarHBondContact O-OG1 2.65Å; T308-T311 WeakPolarHBondContact O-CB 3.36Å; T308-T311 PolarHBondContact O-N 2.85Å; T308-T311 VanDerWaalsContact O-N 3.15Å; L309-T311 VanDerWaalsContact C-N 3.27Å; L309-T311 PolarHBondContact O-N 3.19Å; T311-E313 VanDerWaalsContact C-N 3.34Å; T311-E313 PolarHBondContact O-N 3.38Å; T311-N314 WeakPolarHBondContact O-CB 3.21Å; T311-N314 PolarHBondContact O-N 3.47Å; T311-F315 HydrophobicContact CG2-CD2 3.98Å; T311-F315 HydrophobicContact CG2-CE2 3.84Å; T311-F315 VanDerWaalsContact O-CD2 3.27Å; T311-F315 WeakPolarHBondContact O-CD2 3.48Å; T311-F315 PolarHBondContact O-N 3.37Å; T311-F315 VanDerWaalsContact O-N 3.11Å
312I98.2Very high92.4Very high5 Ų559.5 Ų59.53%0.02630%0.295CS..Hα-helixtrans-61-43.9177.5-63.6161.6000110.5L267 L286 L289 Y290 V293 T308 L309 N314 F315 M316L267-I312 HydrophobicContact CD2-CG1 4.23Å; L286-I312 HydrophobicContact CB-CG2 4.31Å; L286-I312 HydrophobicContact CD2-CG2 4.16Å; L286-I312 WeakPolarHBondContact O-CG2 3.42Å; L289-I312 HydrophobicContact CD2-CD1 4.14Å; L289-I312 HydrophobicContact CD2-CG1 4.19Å; L289-I312 HydrophobicContact CG-CD1 3.93Å; L289-I312 HydrophobicContact CG-CG1 4.47Å; Y290-I312 HydrophobicContact CD2-CB 4.41Å; Y290-I312 HydrophobicContact CD2-CG2 4.28Å; V293-I312 HydrophobicContact CB-CD1 4.49Å; V293-I312 HydrophobicContact CG2-CD1 4.32Å; T308-I312 HydrophobicContact CG2-CD1 4.24Å; T308-I312 WeakPolarHBondContact O-CG1 3.05Å; T308-I312 PolarHBondContact O-N 3.46Å; L309-I312 PolarHBondContact O-N 3.15Å; L309-I312 VanDerWaalsContact O-N 3.1Å; I312-N314 VanDerWaalsContact C-N 3.34Å; I312-N314 PolarHBondContact O-N 2.91Å; I312-F315 WeakPolarHBondContact O-CB 3.48Å; I312-F315 PolarHBondContact O-N 3.3Å; I312-M316 HydrophobicContact CG2-SD 4.32Å; I312-M316 WeakPolarHBondContact O-CG 3.35Å; I312-M316 PolarHBondContact O-N 2.78Å
313E97.4Very high91.8Very high69 Ų6956 Ų5632%0.32228%0.28SS..Hα-helixtrans-59.6-41.8175.3-71.4178.9140.500112.5Y290 L309 S310 T311 F315 M316 Y317Y290-E313 HydrophobicContact CD2-CG 3.91Å; Y290-E313 HydrophobicContact CE2-CG 3.56Å; L309-E313 WeakPolarHBondContact O-CG 3.36Å; L309-E313 PolarHBondContact O-N 3.29Å; S310-E313 PolarHBondContact O-N 3.23Å; T311-E313 VanDerWaalsContact C-N 3.34Å; T311-E313 PolarHBondContact O-N 3.38Å; E313-F315 VanDerWaalsContact C-N 3.32Å; E313-F315 PolarHBondContact O-N 2.88Å; E313-M316 WeakPolarHBondContact O-CB 3.25Å; E313-M316 PolarHBondContact O-N 2.83Å; E313-M316 VanDerWaalsContact O-N 3.14Å; E313-Y317 PolarHBondContact O-N 3.25Å
314N96.9Very high90.4Very high84 Ų8456.5 Ų56.545%0.44929%0.285SS..Hα-helixtrans-61.2-40.6176.2-73.1-31.6000111.8S310 T311 I312 Y317 Q318S310-N314 PolarHBondContact O-N 3.42Å; S310-N314 PolarHBondContact O-ND2 2.86Å; S310-N314 VanDerWaalsContact O-ND2 3.15Å; T311-N314 WeakPolarHBondContact O-CB 3.21Å; T311-N314 PolarHBondContact O-N 3.47Å; I312-N314 VanDerWaalsContact C-N 3.34Å; I312-N314 PolarHBondContact O-N 2.91Å; N314-Y317 PolarHBondContact O-N 2.97Å; N314-Q318 VanDerWaalsContact O-CG 3.31Å; N314-Q318 WeakPolarHBondContact O-CG 3.29Å; N314-Q318 PolarHBondContact O-N 3.46Å
315F97Very high88.6Confident16 Ų1661.8 Ų61.87%0.0730%0.302CS..Hα-helixtrans-63.1-43.2172.5-84.9-79.6000111.8Q264 L267 Q268 L271 L286 T311 I312 E313 Y317 Q318 V319Q264-F315 HydrophobicContact CG-CE2 4.46Å; L267-F315 HydrophobicContact CB-CE2 4.28Å; L267-F315 HydrophobicContact CB-CZ 4.44Å; L267-F315 HydrophobicContact CD2-CD2 3.54Å; L267-F315 HydrophobicContact CD2-CE2 3.8Å; L267-F315 HydrophobicContact CD2-CG 4.14Å; L267-F315 HydrophobicContact CG-CD2 4.19Å; L267-F315 HydrophobicContact CG-CE2 4.13Å; L267-F315 HydrophobicContact CG-CZ 4.42Å; Q268-F315 HydrophobicContact CB-CE1 4.08Å; Q268-F315 HydrophobicContact CB-CZ 4Å; Q268-F315 VanDerWaalsContact OE1-CE1 3.3Å; L271-F315 HydrophobicContact CD1-CD1 3.56Å; L271-F315 HydrophobicContact CD1-CE1 3.95Å; L271-F315 HydrophobicContact CD1-CG 4.28Å; L286-F315 HydrophobicContact CD1-CB 3.81Å; L286-F315 HydrophobicContact CD2-CB 3.97Å; T311-F315 HydrophobicContact CG2-CD2 3.98Å; T311-F315 HydrophobicContact CG2-CE2 3.84Å; T311-F315 VanDerWaalsContact O-CD2 3.27Å; T311-F315 WeakPolarHBondContact O-CD2 3.48Å; T311-F315 PolarHBondContact O-N 3.37Å; T311-F315 VanDerWaalsContact O-N 3.11Å; I312-F315 WeakPolarHBondContact O-CB 3.48Å; I312-F315 PolarHBondContact O-N 3.3Å; E313-F315 VanDerWaalsContact C-N 3.32Å; E313-F315 PolarHBondContact O-N 2.88Å; F315-Y317 VanDerWaalsContact C-N 3.31Å; F315-Y317 PolarHBondContact O-N 3.11Å; F315-Q318 PolarHBondContact O-N 3.37Å; F315-V319 WeakPolarHBondContact O-CG2 3.35Å; F315-V319 PolarHBondContact O-N 2.81Å
316M96.8Very high86.7Confident24 Ų2468.1 Ų68.112%0.11833%0.33CS..Hα-helixtrans-59.6-43.4176.8-68.7175.769.500111.4Y283 L286 I312 E313 V319 S320Y283-M316 HydrophobicContact CD2-CB 4.29Å; Y283-M316 HydrophobicContact CD2-CE 4.4Å; Y283-M316 HydrophobicContact CE1-CE 4.14Å; Y283-M316 HydrophobicContact CE2-CB 4.05Å; Y283-M316 HydrophobicContact CE2-CE 3.76Å; L286-M316 HydrophobicContact CB-CG 3.42Å; L286-M316 VanDerWaalsContact CB-CG 3.42Å; L286-M316 HydrophobicContact CB-SD 4.16Å; L286-M316 HydrophobicContact CD1-CG 3.97Å; L286-M316 HydrophobicContact CG-CG 4.28Å; I312-M316 HydrophobicContact CG2-SD 4.32Å; I312-M316 WeakPolarHBondContact O-CG 3.35Å; I312-M316 PolarHBondContact O-N 2.78Å; E313-M316 WeakPolarHBondContact O-CB 3.25Å; E313-M316 PolarHBondContact O-N 2.83Å; E313-M316 VanDerWaalsContact O-N 3.14Å; M316-V319 PolarHBondContact O-N 3.5Å; M316-S320 WeakPolarHBondContact O-CB 3.29Å; M316-S320 PolarHBondContact O-N 3.32Å; M316-S320 PolarHBondContact O-OG 2.61Å
317Y94.6Very high84Confident147 Ų14765.6 Ų65.658%0.57634%0.337SS*.Hα-helixtrans-60.4-49.5175.6-178.2-101.1000111.5E313 N314 F315 V319 S320 M321E313-Y317 PolarHBondContact O-N 3.25Å; N314-Y317 PolarHBondContact O-N 2.97Å; F315-Y317 VanDerWaalsContact C-N 3.31Å; F315-Y317 PolarHBondContact O-N 3.11Å; Y317-V319 PolarHBondContact O-N 3.3Å; Y317-S320 PolarHBondContact O-N 2.83Å; Y317-S320 PolarHBondContact O-OG 2.85Å; Y317-M321 HydrophobicContact CD1-CG 4.32Å; Y317-M321 HydrophobicContact CD2-CG 4.44Å; Y317-M321 HydrophobicContact CE1-CG 3.94Å; Y317-M321 HydrophobicContact CE2-CG 4.06Å; Y317-M321 HydrophobicContact CE2-SD 4.25Å; Y317-M321 VanDerWaalsContact O-CG 3.31Å; Y317-M321 WeakPolarHBondContact O-CG 3.4Å; Y317-M321 PolarHBondContact O-N 3.37Å
318Q92.7Very high81.2Confident107 Ų10764.9 Ų64.950%0.535%0.345SS..Hα-helixtrans-58.2-45.1177.9-71.6172.6700112.6N314 F315 M321 T322N314-Q318 VanDerWaalsContact O-CG 3.31Å; N314-Q318 WeakPolarHBondContact O-CG 3.29Å; N314-Q318 PolarHBondContact O-N 3.46Å; F315-Q318 PolarHBondContact O-N 3.37Å; Q318-M321 PolarHBondContact O-N 3.07Å; Q318-T322 PolarHBondContact O-N 3.47Å; Q318-T322 PolarHBondContact O-OG1 3.45Å
319V91.1Very high78.4Confident12 Ų1270.9 Ų70.97%0.07338%0.384CS..Hα-helixtrans-63.5-43177.4172.40000110.9W279 K282 L286 F315 M316 Y317 M321 T322 P323W279-V319 HydrophobicContact CB-CG1 4.08Å; W279-V319 WeakPolarHBondContact O-CG1 3.13Å; K282-V319 HydrophobicContact CB-CG1 3.9Å; K282-V319 HydrophobicContact CB-CG2 4.09Å; K282-V319 HydrophobicContact CD-CG2 4.23Å; L286-V319 HydrophobicContact CD1-CG2 4.1Å; F315-V319 WeakPolarHBondContact O-CG2 3.35Å; F315-V319 PolarHBondContact O-N 2.81Å; M316-V319 PolarHBondContact O-N 3.5Å; Y317-V319 PolarHBondContact O-N 3.3Å; V319-M321 VanDerWaalsContact C-N 3.27Å; V319-M321 PolarHBondContact O-N 3Å; V319-T322 PolarHBondContact O-N 2.82Å; V319-P323 VanDerWaalsContact O-CD 3.28Å; V319-P323 WeakPolarHBondContact O-CD 3.39Å
320S87.3Confident75.5Confident55 Ų5574.9 Ų74.939%0.38541%0.413SS..Hα-helixtrans-64.9-29.4179.473.70000113.8M316 Y317M316-S320 WeakPolarHBondContact O-CB 3.29Å; M316-S320 PolarHBondContact O-N 3.32Å; M316-S320 PolarHBondContact O-OG 2.61Å; Y317-S320 PolarHBondContact O-N 2.83Å; Y317-S320 PolarHBondContact O-OG 2.85Å
321M84.3Confident72.7Confident41 Ų4177.8 Ų77.820%0.20243%0.431CS..Hα-helixtrans-84.2-20.6179.4-68.1-62.8-66.800113Y317 Q318 V319 L324 Y325Y317-M321 HydrophobicContact CD1-CG 4.32Å; Y317-M321 HydrophobicContact CD2-CG 4.44Å; Y317-M321 HydrophobicContact CE1-CG 3.94Å; Y317-M321 HydrophobicContact CE2-CG 4.06Å; Y317-M321 HydrophobicContact CE2-SD 4.25Å; Y317-M321 VanDerWaalsContact O-CG 3.31Å; Y317-M321 WeakPolarHBondContact O-CG 3.4Å; Y317-M321 PolarHBondContact O-N 3.37Å; Q318-M321 PolarHBondContact O-N 3.07Å; V319-M321 VanDerWaalsContact C-N 3.27Å; V319-M321 PolarHBondContact O-N 3Å; M321-L324 HydrophobicContact CE-CD1 4.33Å; M321-L324 WeakPolarHBondContact O-CB 3.35Å; M321-L324 PolarHBondContact O-N 3.45Å; M321-L324 HydrophobicContact SD-CD1 4.03Å; M321-Y325 HydrophobicContact CB-CD2 4.38Å; M321-Y325 HydrophobicContact CB-CE2 3.98Å; M321-Y325 HydrophobicContact CE-CE2 3.8Å; M321-Y325 WeakPolarHBondContact O-CD2 3.38Å
322T75.2Confident70.3Confident62 Ų6286.3 Ų86.338%0.3847%0.47SS..Hα-helixtrans-60-42.7-174.6-59.70000113.7Q318 V319 L324 Y325 H326Q318-T322 PolarHBondContact O-N 3.47Å; Q318-T322 PolarHBondContact O-OG1 3.45Å; V319-T322 PolarHBondContact O-N 2.82Å; T322-L324 PolarHBondContact O-N 2.95Å; T322-Y325 PolarHBondContact O-N 3.48Å; T322-H326 PolarHBondContact O-ND1 3.28Å
323P65.1Low67.4Low50 Ų5089.5 Ų89.533%0.32550%0.504SS..Hα-helixtrans-61.2-27.4174.8-2434.4000113.7W279 V319W279-P323 HydrophobicContact CD2-CG 3.88Å; W279-P323 HydrophobicContact CE3-CG 4.22Å; W279-P323 HydrophobicContact CG-CG 4.02Å; V319-P323 VanDerWaalsContact O-CD 3.28Å; V319-P323 WeakPolarHBondContact O-CD 3.39Å
324L57.7Low64.6Low115 Ų11595.1 Ų95.160%0.60253%0.53SS*.Hα-helixtrans-77.1-23.2-177.4-62.6174.5000112.9M321 T322M321-L324 HydrophobicContact CE-CD1 4.33Å; M321-L324 WeakPolarHBondContact O-CB 3.35Å; M321-L324 PolarHBondContact O-N 3.45Å; M321-L324 HydrophobicContact SD-CD1 4.03Å; T322-L324 PolarHBondContact O-N 2.95Å
325Y53.1Low61.8Low175 Ų17596.7 Ų96.769%0.68655%0.545SS*.Hα-helixtrans-94.3-13.5179.7-67.6-70.1000114.2M321 T322M321-Y325 HydrophobicContact CB-CD2 4.38Å; M321-Y325 HydrophobicContact CB-CE2 3.98Å; M321-Y325 HydrophobicContact CE-CE2 3.8Å; M321-Y325 WeakPolarHBondContact O-CD2 3.38Å; T322-Y325 PolarHBondContact O-N 3.48Å
326H53.6Low59.2Low158 Ų158102 Ų10273%0.73158%0.581SS**SBendtrans-88.5-5.2176.5-76.874.1000114T322 G328T322-H326 PolarHBondContact O-ND1 3.28Å; H326-G328 VanDerWaalsContact C-N 3.29Å; H326-G328 PolarHBondContact O-N 3.4Å
327C37.8Very low56.4Low112 Ų112110 Ų11076%0.75762%0.619SS**  trans-77.481.7159.5-96.30000109.4
328G37.4Very low53.7Low52 Ų52107.8 Ų107.854%0.53663%0.63SS.*  trans-58.9153.6161.500000110.5H326 S330H326-G328 VanDerWaalsContact C-N 3.29Å; H326-G328 PolarHBondContact O-N 3.4Å; G328-S330 PolarHBondContact O-N 3.11Å
329P37.2Very low51.1Low131 Ų131107.2 Ų107.285%0.85164%0.644SS**  trans-64.8113.6-172.427.4-31.8000109.6
330S38.1Very low48.3Very low96 Ų96112.7 Ų112.767%0.67168%0.677SS**  trans-55.8129.8160.8-790000108.1G328 H332G328-S330 PolarHBondContact O-N 3.11Å; S330-H332 PolarHBondContact O-N 3.47Å; S330-H332 VanDerWaalsContact O-N 3.09Å
331P38.7Very low45.6Very low114 Ų114116.8 Ų116.874%0.7470%0.7SS**SBendtrans-66.9114.7169.328.6-28.5000105.9
332H45.7Very low43.3Very low188 Ų188120.4 Ų120.487%0.8772%0.724SS**SBendtrans82.292.9-175.4-47.1-71.8000115.8S330S330-H332 PolarHBondContact O-N 3.47Å; S330-H332 VanDerWaalsContact O-N 3.09Å
333G38.5Very low41.2Very low72 Ų72121.7 Ų121.774%0.74274%0.735SS**  trans170.5138.8164.600000112.6
334Q37.8Very low40Very low187 Ų187125.3 Ų125.387%0.87475%0.751SS**PPolyproline II helixtrans-53.3155.1-170.2-72.5161.9-56.500115.6
335P37.9Very low38.9Very low117 Ų117124.5 Ų124.576%0.7676%0.76SS**PPolyproline II helixtrans-65.6137.3176.428.8-33.3000110.3Q337P335-Q337 PolarHBondContact O-N 2.94Å
336P43.6Very low38.2Very low127 Ų127120.1 Ų120.183%0.82576%0.761SS**PPolyproline II helixtrans-71.5130.1173.228.4-29.2000109.5
337Q37.5Very low37.4Very low193 Ų193119 Ų11990%0.90277%0.765SS**PPolyproline II helixtrans-62.9145.1174.8-70.7175.9-5.300110.7P335 A339P335-Q337 PolarHBondContact O-N 2.94Å; Q337-A339 PolarHBondContact O-N 3.37Å
338A37.4Very low37.2Very low100 Ų100118 Ų11883%0.82676%0.764SS**PPolyproline II helixtrans-47.1121.3-173.800000113.6T340A338-T340 PolarHBondContact O-N 2.92Å
339A37.9Very low36.9Very low94 Ų94126.7 Ų126.778%0.77778%0.781SS**PPolyproline II helixtrans-77.7118.5167.300000109.4Q337Q337-A339 PolarHBondContact O-N 3.37Å
340T33.3Very low36.8Very low127 Ų127126.5 Ų126.578%0.77978%0.78SS**PPolyproline II helixtrans-66.9130.4178.9-53.30000111.4A338 V342A338-T340 PolarHBondContact O-N 2.92Å; T340-V342 PolarHBondContact O-N 3.44Å
341V30.6Very low36.5Very low141 Ų141131.1 Ų131.186%0.85579%0.79SS**PPolyproline II helixtrans-67.6121.5171.4-179.70000109.4
342V34.5Very low36.4Very low117 Ų117134.5 Ų134.571%0.70980%0.797SS**  trans-106131.6172.3-173.10000109.3T340T340-V342 PolarHBondContact O-N 3.44Å
343S31.1Very low35.9Very low89 Ų89130.6 Ų130.662%0.62279%0.788SS**  trans-63.7133.1179.51780000112.3A345S343-A345 PolarHBondContact O-N 2.95Å
344I40.1Very low35.6Very low126 Ų126133.1 Ų133.165%0.64679%0.791SS**G310 helixtrans-64.4-5.7-177-74.5167.9000113.6A346I344-A346 VanDerWaalsContact C-N 3.29Å; I344-A346 PolarHBondContact O-N 3.14Å
345A34.8Very low35.5Very low98 Ų98132.1 Ų132.181%0.8179%0.79SS**G310 helixtrans-76.91-178.300000116S343S343-A345 PolarHBondContact O-N 2.95Å
346A39Very low35.3Very low84 Ų84132 Ų13269%0.69479%0.792SS**G310 helixtrans-114.70.4-168.800000116.7I344I344-A346 VanDerWaalsContact C-N 3.29Å; I344-A346 PolarHBondContact O-N 3.14Å
347V36.4Very low34.7Very low134 Ų134134.5 Ų134.581%0.81279%0.793SS**SBendtrans-114.813.7-166.4-167.10000114.5
348A33Very low34.5Very low90 Ų90135.4 Ų135.474%0.74479%0.793SS**  trans-134.876.4179.400000113.1
349R31.7Very low34Very low236 Ų236139 Ų13989%0.89179%0.793SS**  trans-145.7101.8155.5-78.5-166.6-178.9-178.80.7110.5Q351R349-Q351 PolarHBondContact O-N 3.27Å
350P35.6Very low33.9Very low127 Ų127143.4 Ų143.483%0.82580%0.798SS**  trans-74.4115.7157.8-421.7000107.9Q352P350-Q352 PolarHBondContact O-N 3.47Å
351Q31.8Very low33.8Very low192 Ų192146.3 Ų146.390%0.89780%0.802SS**PPolyproline II helixtrans-68116.5168.2-70.7179.1-900108.9R349R349-Q351 PolarHBondContact O-N 3.27Å
352Q35.3Very low33.9Very low186 Ų186144 Ų14487%0.86980%0.798SS**PPolyproline II helixtrans-83.7134.3163.7-82.9-178.6-3600109.7P350P350-Q352 PolarHBondContact O-N 3.47Å
353P35.9Very low34Very low106 Ų106143.8 Ų143.869%0.68880%0.799SS**PPolyproline II helixtrans-78.2154.4169.632.5-31.1000110.7
354P31.7Very low34.1Very low125 Ų125144.5 Ų144.581%0.81280%0.804SS**PPolyproline II helixtrans-81.6134.4-178.433.4-30.3000110.3
355I37.2Very low34Very low165 Ų165144.4 Ų144.485%0.84682%0.815SS**  trans-117.4122.4165.3-60.5178.8000108.2
356S33.9Very low34.1Very low114 Ų114143.3 Ų143.380%0.79781%0.813SS**  trans-71.2134.1-173.8-190000112.4
357E29.2Very low33.9Very low181 Ų181146.2 Ų146.285%0.84682%0.817SS**  trans-75.4136.4167.4-70173.8148.400110.9
358K34Very low33.8Very low211 Ų211147 Ų14792%0.91782%0.817SS**  trans-132.8105.6150.3-87-166.6176.1-175.50108.8
359E28.1Very low33.8Very low176 Ų176146.5 Ų146.582%0.82282%0.82SS**  trans-63.7143.9161.7-78.1170.797.800111.2
360Q33.9Very low33.8Very low186 Ų186140.5 Ų140.587%0.86982%0.821SS**  trans-153.698.2147-111.3158.525.400111.1
361Q32.6Very low33.5Very low188 Ų188138.4 Ų138.488%0.87982%0.822SS**  trans38.3124.6133.8-69.5171.7-5.200121.1
362A31.8Very low33.5Very low93 Ų93133 Ų13377%0.76982%0.818SS**  trans-74-179.5162.700000111.7
363P36.5Very low33.2Very low113 Ų113130.5 Ų130.573%0.73482%0.821SS**  -156160.56240-17.1000119.8
364S34.2Very low33Very low103 Ų103128.9 Ų128.972%0.7282%0.824SS**  trans64.5144.4134.867.50000124.5
365S38.5Very low33Very low125 Ų125127.4 Ų127.487%0.87482%0.822SS**  trans87.2130158.870.60000117.1
366G35.2Very low33.1Very low75 Ų75128.8 Ų128.877%0.77383%0.825SS**  cis-180170.5-4.200000112.1
367N35.9Very low33.3Very low145 Ų145131.1 Ų131.178%0.77582%0.823SS**  trans76110.8153.6-116.618.7000122.9
368N34Very low34.2Very low151 Ų151126.4 Ų126.481%0.80781%0.808SS**  54.6120.2126.6-66.3-7.3000121.7
369G33.2Very low35.1Very low79 Ų79125.4 Ų125.481%0.81480%0.804SS**  trans179.4113.3155.300000112
370A31.4Very low36.6Very low110 Ų110124.1 Ų124.191%0.90980%0.798SS**  trans-70.7157.4-17400000114.8
371G29.7Very low37.9Very low82 Ų82116.1 Ų116.185%0.84576%0.761SS**  trans120.4134.614300000116.5
372G31Very low39.1Very low79 Ų79109.7 Ų109.781%0.81473%0.733SS**  trans114.194.7147.700000116.3G374G372-G374 PolarHBondContact O-N 3.27Å
373S29.9Very low40.6Very low133 Ų133105.6 Ų105.693%0.9370%0.698SS**  trans-43.2125.8160.5-42.10000112.2
374G32.1Very low41.5Very low73 Ų73103.3 Ų103.375%0.75368%0.675SS**  trans-127.992.1176.800000110.9G372 H376G372-G374 PolarHBondContact O-N 3.27Å; G374-H376 PolarHBondContact O-N 2.97Å
375A31.7Very low42.4Very low93 Ų93100.2 Ų100.277%0.76965%0.652SS**  trans-61.4119.7168.900000109.4Q377A375-Q377 VanDerWaalsContact C-N 3.31Å; A375-Q377 PolarHBondContact O-N 3.31Å
376H37.7Very low42.8Very low194 Ų19496.2 Ų96.290%0.89862%0.623SS**  trans-75.188.4167.2-115.1-69.5000108.2G374G374-H376 PolarHBondContact O-N 2.97Å
377Q39.3Very low42.9Very low164 Ų16497.5 Ų97.577%0.76661%0.607SS**  trans-75131.6162-81.5179.8-21.800108.5A375 K379A375-Q377 VanDerWaalsContact C-N 3.31Å; A375-Q377 PolarHBondContact O-N 3.31Å; Q377-K379 PolarHBondContact O-N 3.13Å
378P47.7Very low43.4Very low82 Ų8298.3 Ų98.353%0.53261%0.612SS.*  trans-69.4126.1172.329.4-30.5000108.4G195 Q380G195-P378 WeakPolarHBondContact O-CB 3.29Å; P378-Q380 PolarHBondContact O-N 2.8Å
379K53.2Low44.1Very low189 Ų18992.1 Ų92.182%0.82258%0.582SS**  trans-71.8115.9173.2-72.4-176.5176.6-176.50108.2Q377 T381Q377-K379 PolarHBondContact O-N 3.13Å; K379-T381 PolarHBondContact O-N 3.02Å; K379-T381 PolarHBondContact O-OG1 3.48Å
380Q58.2Low44.9Very low149 Ų14994.2 Ų94.270%0.69658%0.584SS**  trans-51.1130166.7-69.6173.6-19.500108.6L189 P378L189-Q380 HydrophobicContact CD1-CB 4.18Å; P378-Q380 PolarHBondContact O-N 2.8Å
381T62.3Low45.9Very low18 Ų1895.8 Ų95.811%0.1157%0.567CS.*EExtended strand (participates in β ladder)trans-115.7103.3-178.9-56.10000108.7L189 V190 F197 K379 L383L189-T381 WeakPolarHBondContact CD1-O 3.44Å; V190-T381 PolarHBondContact N-O 3.31Å; F197-T381 HydrophobicContact CD1-CG2 3.94Å; F197-T381 HydrophobicContact CE1-CG2 4.3Å; F197-T381 HydrophobicContact CG-CG2 4.34Å; K379-T381 PolarHBondContact O-N 3.02Å; K379-T381 PolarHBondContact O-OG1 3.48Å; T381-L383 HydrophobicContact CG2-CD2 3.83Å; T381-L383 HydrophobicContact CG2-CG 4.09Å; T381-L383 PolarHBondContact O-N 3.44Å
382L57.6Low47.4Very low53 Ų5394.2 Ų94.228%0.27754%0.536SS..EExtended strand (participates in β ladder)trans-76.2125.1174.7-167.978.2000108.1E187 L189 S394 V395E187-L382 HydrophobicContact CB-CD1 4.49Å; E187-L382 HydrophobicContact CB-CD2 4.2Å; E187-L382 HydrophobicContact CB-CG 4.29Å; E187-L382 WeakPolarHBondContact OE2-CD2 3.26Å; L189-L382 HydrophobicContact CB-CD1 3.91Å; L189-L382 HydrophobicContact CD1-CB 4.38Å; L189-L382 HydrophobicContact CD1-CD1 4.21Å; L382-S394 WeakPolarHBondContact O-CA 3.38Å; L382-V395 HydrophobicContact CB-CB 4.03Å; L382-V395 HydrophobicContact CB-CG2 4.43Å; L382-V395 HydrophobicContact CD2-CB 3.8Å; L382-V395 HydrophobicContact CD2-CG1 4.03Å; L382-V395 HydrophobicContact CD2-CG2 3.98Å; L382-V395 HydrophobicContact CG-CB 4.2Å; L382-V395 HydrophobicContact CG-CG2 4.21Å; L382-V395 PolarHBondContact O-N 3.34Å
383L63.1Low48.4Very low8 Ų893.1 Ų93.14%0.04251%0.513CS..EExtended strand (participates in β ladder)trans-118138.8180-67.2-179.9000110.9L56 V188 V190 F197 T381 W392 V393L56-L383 HydrophobicContact CD2-CD1 4.35Å; V188-L383 CarbonylContact C-O 3.58Å; V188-L383 PolarHBondContact N-O 3.37Å; V188-L383 PolarHBondContact O-N 3.2Å; V190-L383 HydrophobicContact CB-CD1 4.02Å; V190-L383 HydrophobicContact CG2-CB 4.35Å; V190-L383 HydrophobicContact CG2-CD1 4.14Å; F197-L383 HydrophobicContact CE1-CD1 3.87Å; F197-L383 HydrophobicContact CE2-CD1 4.25Å; F197-L383 HydrophobicContact CZ-CD1 3.45Å; F197-L383 VanDerWaalsContact CZ-CD1 3.45Å; T381-L383 HydrophobicContact CG2-CD2 3.83Å; T381-L383 HydrophobicContact CG2-CG 4.09Å; T381-L383 PolarHBondContact O-N 3.44Å; L383-W392 HydrophobicContact CB-CB 4.21Å; L383-W392 HydrophobicContact CB-CD2 4.47Å; L383-W392 HydrophobicContact CB-CE3 3.81Å; L383-W392 HydrophobicContact CD1-CB 3.93Å; L383-W392 HydrophobicContact CD1-CD2 4.49Å; L383-W392 HydrophobicContact CD1-CG 4.23Å; L383-W392 HydrophobicContact CD2-CB 4.12Å; L383-W392 HydrophobicContact CG-CB 4.33Å; L383-V393 CarbonylContact C-O 3.38Å; L383-V393 VanDerWaalsContact CA-O 3.31Å; L383-V393 WeakPolarHBondContact CA-O 3.44Å
384Y56.5Low49.7Very low65 Ų6589.8 Ų89.826%0.25549%0.49SS..EExtended strand (participates in β ladder)trans-126.8144.8174.5169.9-108.1000110.5C184 E187 P386 V393C184-Y384 HydrophobicContact CB-CE2 4.12Å; C184-Y384 WeakPolarHBondContact O-CE2 3.37Å; C184-Y384 PolarHBondContact O-OH 3.32Å; E187-Y384 HydrophobicContact CG-CD2 4.16Å; E187-Y384 HydrophobicContact CG-CG 4.35Å; Y384-P386 HydrophobicContact CD1-CG 3.91Å; Y384-P386 VanDerWaalsContact CE1-CA 3.47Å; Y384-P386 HydrophobicContact CE1-CB 3.91Å; Y384-P386 HydrophobicContact CE1-CG 3.69Å; Y384-P386 WeakPolarHBondContact O-CD 3.48Å; Y384-V393 PolarHBondContact N-O 3.25Å; Y384-V393 PolarHBondContact O-N 3.44Å
385V53.1Low50.7Low38 Ų3888.7 Ų88.723%0.2347%0.469CS..  trans-109.5107.4172.9-172.90000109.3W392V385-W392 HydrophobicContact CG2-CD2 3.41Å; V385-W392 VanDerWaalsContact CG2-CD2 3.41Å; V385-W392 HydrophobicContact CG2-CE3 3.15Å; V385-W392 HydrophobicContact CG2-CG 4.17Å; V385-W392 HydrophobicContact CG2-CH2 3.62Å; V385-W392 HydrophobicContact CG2-CZ2 3.84Å; V385-W392 HydrophobicContact CG2-CZ3 3.29Å
386P45.8Very low51.4Low41 Ų4196 Ų9627%0.26649%0.49SS..  trans-62.8151.3172.6-20.128.4000113Y384 N388 A389 V393Y384-P386 HydrophobicContact CD1-CG 3.91Å; Y384-P386 VanDerWaalsContact CE1-CA 3.47Å; Y384-P386 HydrophobicContact CE1-CB 3.91Å; Y384-P386 HydrophobicContact CE1-CG 3.69Å; Y384-P386 WeakPolarHBondContact O-CD 3.48Å; P386-N388 PolarHBondContact O-N 3.04Å; P386-A389 HydrophobicContact CB-CB 4.11Å; P386-A389 HydrophobicContact CG-CB 4.07Å; P386-A389 PolarHBondContact O-N 2.79Å; P386-V393 HydrophobicContact CG-CG2 3.73Å
387K38.4Very low52.1Low101 Ų10191.1 Ų91.144%0.43947%0.469SS..THydrogen-bonded Turntrans-45.8-17.1-178-178.9163.8-165.8-177.20117.2A181 G182 E183A181-K387 WeakPolarHBondContact O-CE 3.14Å; G182-K387 VanDerWaalsContact O-CA 3.26Å; G182-K387 WeakPolarHBondContact O-CA 3.33Å; G182-K387 VanDerWaalsContact O-CB 3.25Å; G182-K387 WeakPolarHBondContact O-CB 3.33Å; G182-K387 WeakPolarHBondContact O-CG 3.42Å; E183-K387 HydrophobicContact CG-CD 3.74Å; E183-K387 VanDerWaalsContact CG-NZ 3.3Å; E183-K387 IonicContact OE1-NZ 3.25Å; E183-K387 PolarHBondContact OE1-NZ 3.34Å
388N44.7Very low52.7Low163 Ų16387.3 Ų87.387%0.87245%0.454SS*.THydrogen-bonded Turntrans-135.717.5-179.3-62.5-45.8000113.8P386P386-N388 PolarHBondContact O-N 3.04Å
389A49.3Very low53Low21 Ų2187.6 Ų87.617%0.17445%0.449CS..  trans-99.8132.6-179.400000110.7P386 Y391P386-A389 HydrophobicContact CB-CB 4.11Å; P386-A389 HydrophobicContact CG-CB 4.07Å; P386-A389 PolarHBondContact O-N 2.79Å; A389-Y391 HydrophobicContact CB-CD1 4.09Å; A389-Y391 HydrophobicContact CB-CE1 4.03Å; A389-Y391 HydrophobicContact CB-CG 4.41Å; A389-Y391 WeakPolarHBondContact CB-O 3.14Å; A389-Y391 PolarHBondContact O-N 3.22Å
390S50.7Low53Low123 Ų12381.6 Ų81.686%0.8643%0.427SS*.SBendtrans-83.910.8164.853.70000112.5
391Y52.3Low52.7Low143 Ų14377.4 Ų77.456%0.56141%0.41SS*.SBendtrans-139.5150.6-174.162.9-89.2000111.6A389 V393A389-Y391 HydrophobicContact CB-CD1 4.09Å; A389-Y391 HydrophobicContact CB-CE1 4.03Å; A389-Y391 HydrophobicContact CB-CG 4.41Å; A389-Y391 WeakPolarHBondContact CB-O 3.14Å; A389-Y391 PolarHBondContact O-N 3.22Å; Y391-V393 HydrophobicContact CD2-CG2 4.28Å; Y391-V393 HydrophobicContact CE2-CG2 3.94Å
392W60.1Low52.1Low49 Ų4981.3 Ų81.319%0.18643%0.43CS..PPolyproline II helixtrans-80.2137.5175.9-60.687.3000110.5M1 I55 L56 L383 V385M1-W392 HydrophobicContact CE-CH2 4.05Å; M1-W392 HydrophobicContact CE-CZ3 4.49Å; I55-W392 HydrophobicContact CG2-CH2 4.15Å; I55-W392 HydrophobicContact CG2-CZ2 3.6Å; I55-W392 PolarHBondContact O-NE1 3.03Å; L56-W392 HydrophobicContact CD2-CD2 4.32Å; L56-W392 HydrophobicContact CD2-CG 4.48Å; L56-W392 HydrophobicContact CD2-CZ2 4.45Å; L383-W392 HydrophobicContact CB-CB 4.21Å; L383-W392 HydrophobicContact CB-CD2 4.47Å; L383-W392 HydrophobicContact CB-CE3 3.81Å; L383-W392 HydrophobicContact CD1-CB 3.93Å; L383-W392 HydrophobicContact CD1-CD2 4.49Å; L383-W392 HydrophobicContact CD1-CG 4.23Å; L383-W392 HydrophobicContact CD2-CB 4.12Å; L383-W392 HydrophobicContact CG-CB 4.33Å; V385-W392 HydrophobicContact CG2-CD2 3.41Å; V385-W392 VanDerWaalsContact CG2-CD2 3.41Å; V385-W392 HydrophobicContact CG2-CE3 3.15Å; V385-W392 HydrophobicContact CG2-CG 4.17Å; V385-W392 HydrophobicContact CG2-CH2 3.62Å; V385-W392 HydrophobicContact CG2-CZ2 3.84Å; V385-W392 HydrophobicContact CG2-CZ3 3.29Å
393V53.3Low51.7Low56 Ų5683.4 Ų83.434%0.33944%0.441SS..EExtended strand (participates in β ladder)trans-102.4124.7175.7-177.60000108.8L383 Y384 P386 Y391 V395L383-V393 CarbonylContact C-O 3.38Å; L383-V393 VanDerWaalsContact CA-O 3.31Å; L383-V393 WeakPolarHBondContact CA-O 3.44Å; Y384-V393 PolarHBondContact N-O 3.25Å; Y384-V393 PolarHBondContact O-N 3.44Å; P386-V393 HydrophobicContact CG-CG2 3.73Å; Y391-V393 HydrophobicContact CD2-CG2 4.28Å; Y391-V393 HydrophobicContact CE2-CG2 3.94Å; V393-V395 PolarHBondContact O-N 3.42Å
394S56.8Low50.8Low63 Ų6389.2 Ų89.244%0.44147%0.472SS..EExtended strand (participates in β ladder)trans-70.2123.8169.6-1680000110.2L382L382-S394 WeakPolarHBondContact O-CA 3.38Å
395V53.2Low50.3Low50 Ų5091.2 Ų91.230%0.30349%0.49SS..EExtended strand (participates in β ladder)trans-85.1116.5164-166.50000105.8L382 V393L382-V395 HydrophobicContact CB-CB 4.03Å; L382-V395 HydrophobicContact CB-CG2 4.43Å; L382-V395 HydrophobicContact CD2-CB 3.8Å; L382-V395 HydrophobicContact CD2-CG1 4.03Å; L382-V395 HydrophobicContact CD2-CG2 3.98Å; L382-V395 HydrophobicContact CG-CB 4.2Å; L382-V395 HydrophobicContact CG-CG2 4.21Å; L382-V395 PolarHBondContact O-N 3.34Å; V393-V395 PolarHBondContact O-N 3.42Å
396M45.9Very low50Low246 Ų24696 Ų96100%1.21251%0.514SS*.  trans-74.60178.7-91.5-170.2-78.200112.2

Retrieved 396 of 396 residues in 316.2 ms (Link to these results)

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