A0A077ZGE4_TRITR Loading...

folate gamma-glutamyl hydrolase

AlphaFold DB , UniProt , Accession A0A077ZGE4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 304 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
1M52.8Low52.2Low204 Ų204100.5 Ų100.5100%1.00554%0.542SS*.  0118.20-152.7166.169.600106.3D5M1-D5 HydrophobicContact CG-CB 4.22Å
2S63.8Low52Low51 Ų51106.5 Ų106.536%0.35755%0.551SS.*  trans-74.4155.1-172.5700000111.2S4 D5 A6S2-S4 PolarHBondContact O-N 3.22Å; S2-S4 PolarHBondContact OG-OG 3.06Å; S2-D5 PolarHBondContact N-OD2 3.48Å; S2-D5 PolarHBondContact O-N 2.89Å; S2-D5 PolarHBondContact OG-N 3.4Å; S2-D5 PolarHBondContact OG-OD2 2.88Å; S2-A6 PolarHBondContact O-N 3.28Å; S2-A6 VanDerWaalsContact O-N 3.11Å
3E60.8Low51.9Low174 Ų174108.2 Ų108.281%0.81355%0.554SS**Hα-helixtrans-58.3-28.9176.3-95.1-175.5151.500112.9K7E3-K7 PolarHBondContact O-N 2.91Å; E3-K7 VanDerWaalsContact O-N 3.09Å
4S60.7Low52.2Low77 Ų77112.1 Ų112.154%0.53856%0.559SS.*Hα-helixtrans-68.1-43.1172.746.50000112S2 A6 K7 E8S2-S4 PolarHBondContact O-N 3.22Å; S2-S4 PolarHBondContact OG-OG 3.06Å; S4-A6 VanDerWaalsContact C-N 3.3Å; S4-A6 PolarHBondContact O-N 2.64Å; S4-K7 PolarHBondContact O-N 3.28Å; S4-E8 WeakPolarHBondContact O-CB 3.4Å; S4-E8 PolarHBondContact O-N 3.11Å
5D48.2Very low53.2Low74 Ų74113.9 Ų113.940%0.39657%0.571SS.*Hα-helixtrans-64.4-37.3177.9-59.5-37.4000111.4M1 S2 T9M1-D5 HydrophobicContact CG-CB 4.22Å; S2-D5 PolarHBondContact N-OD2 3.48Å; S2-D5 PolarHBondContact O-N 2.89Å; S2-D5 PolarHBondContact OG-N 3.4Å; S2-D5 PolarHBondContact OG-OD2 2.88Å; D5-T9 WeakPolarHBondContact O-CB 3.23Å; D5-T9 WeakPolarHBondContact O-CG2 3.46Å; D5-T9 PolarHBondContact O-N 3.15Å; D5-T9 PolarHBondContact O-OG1 3.07Å
6A50.4Low54.1Low45 Ų45112.6 Ų112.637%0.37257%0.566SS.*Hα-helixtrans-68.5-38.9176.800000112.6S2 S4 T9 S10S2-A6 PolarHBondContact O-N 3.28Å; S2-A6 VanDerWaalsContact O-N 3.11Å; S4-A6 VanDerWaalsContact C-N 3.3Å; S4-A6 PolarHBondContact O-N 2.64Å; A6-T9 WeakPolarHBondContact CA-OG1 3.47Å; A6-T9 PolarHBondContact O-OG1 2.93Å; A6-S10 VanDerWaalsContact O-CB 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.49Å; A6-S10 PolarHBondContact O-N 3.22Å; A6-S10 VanDerWaalsContact O-N 3.07Å
7K48.4Very low55.4Low160 Ų160110.2 Ų110.270%0.69656%0.56SS**Hα-helixtrans-69.2-40.2173.7-87.4179.6177.6171.40112.1E3 S4 S10 N11E3-K7 PolarHBondContact O-N 2.91Å; E3-K7 VanDerWaalsContact O-N 3.09Å; S4-K7 PolarHBondContact O-N 3.28Å; K7-S10 PolarHBondContact O-N 3.41Å; K7-N11 WeakPolarHBondContact O-CB 3.42Å; K7-N11 PolarHBondContact O-N 3.09Å
8E45.2Very low57.2Low104 Ų104105.2 Ų105.249%0.48654%0.535SS..Hα-helixtrans-71-40.4-178.5-157.7-17816300111.9S4 N11 R12S4-E8 WeakPolarHBondContact O-CB 3.4Å; S4-E8 PolarHBondContact O-N 3.11Å; E8-N11 PolarHBondContact O-N 2.96Å; E8-R12 WeakPolarHBondContact O-CG 3.41Å; E8-R12 PolarHBondContact O-N 2.88Å; E8-R12 IonicContact OE1-NE 3.94Å; E8-R12 IonicContact OE1-NH2 3.77Å; E8-R12 PolarHBondContact OE1-NH2 3.29Å
9T45.8Very low59.1Low81 Ų81100.2 Ų100.250%0.49751%0.509SS..Hα-helixtrans-64-41.1171.144.10000112.2D5 A6 N11 R12 Q13D5-T9 WeakPolarHBondContact O-CB 3.23Å; D5-T9 WeakPolarHBondContact O-CG2 3.46Å; D5-T9 PolarHBondContact O-N 3.15Å; D5-T9 PolarHBondContact O-OG1 3.07Å; A6-T9 WeakPolarHBondContact CA-OG1 3.47Å; A6-T9 PolarHBondContact O-OG1 2.93Å; T9-N11 VanDerWaalsContact C-N 3.33Å; T9-N11 PolarHBondContact O-N 3.46Å; T9-R12 PolarHBondContact O-N 3.48Å; T9-Q13 PolarHBondContact O-N 2.64Å
10S49.7Very low60.8Low46 Ų4695.4 Ų95.432%0.32249%0.485SS..Hα-helixtrans-62.1-35.9173176.50000113.3A6 K7 R14A6-S10 VanDerWaalsContact O-CB 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.49Å; A6-S10 PolarHBondContact O-N 3.22Å; A6-S10 VanDerWaalsContact O-N 3.07Å; K7-S10 PolarHBondContact O-N 3.41Å; S10-R14 PolarHBondContact O-N 3.18Å; S10-R14 PolarHBondContact O-NE 3.37Å; S10-R14 PolarHBondContact OG-NH2 3.39Å
11N48.3Very low62.5Low89 Ų8990.8 Ų90.848%0.47646%0.462SS..Hα-helixtrans-76.4-38177.1-110.86.3000112.3K7 E8 T9 R14 N15K7-N11 WeakPolarHBondContact O-CB 3.42Å; K7-N11 PolarHBondContact O-N 3.09Å; E8-N11 PolarHBondContact O-N 2.96Å; T9-N11 VanDerWaalsContact C-N 3.33Å; T9-N11 PolarHBondContact O-N 3.46Å; N11-R14 PolarHBondContact O-N 3.31Å; N11-N15 PolarHBondContact O-N 3.44Å
12R49.4Very low64.7Low173 Ų17381.1 Ų81.165%0.65341%0.414SS*.Hα-helixtrans-64.1-39.5175.2-78.4-174.1-173.9-158.24.7112.1E8 T9 R14 N15E8-R12 WeakPolarHBondContact O-CG 3.41Å; E8-R12 PolarHBondContact O-N 2.88Å; E8-R12 IonicContact OE1-NE 3.94Å; E8-R12 IonicContact OE1-NH2 3.77Å; E8-R12 PolarHBondContact OE1-NH2 3.29Å; T9-R12 PolarHBondContact O-N 3.48Å; R12-R14 VanDerWaalsContact C-N 3.25Å; R12-R14 PolarHBondContact O-N 3.44Å; R12-N15 PolarHBondContact O-N 3.05Å
13Q50.9Low66.3Low128 Ų12878.7 Ų78.760%0.59840%0.397SS*.Hα-helixtrans-63-30.7173.9-108.1170.7-10.300113.1T9 N15T9-Q13 PolarHBondContact O-N 2.64Å; Q13-N15 VanDerWaalsContact C-N 3.33Å; Q13-N15 PolarHBondContact O-N 3.29Å
14R55.7Low68.1Low163 Ų16370.4 Ų70.462%0.61536%0.358SS*.Hα-helixtrans-74.5-17.6179.1-83.5-176.3-101.5-177.1-8.4114.8S10 N11 R12S10-R14 PolarHBondContact O-N 3.18Å; S10-R14 PolarHBondContact O-NE 3.37Å; S10-R14 PolarHBondContact OG-NH2 3.39Å; N11-R14 PolarHBondContact O-N 3.31Å; R12-R14 VanDerWaalsContact C-N 3.25Å; R12-R14 PolarHBondContact O-N 3.44Å
15N67.2Low69.7Low139 Ų13966.9 Ų66.974%0.74333%0.333SS*.THydrogen-bonded Turntrans-106.78.2-176.7-72.5-12.4000113.7N11 R12 Q13N11-N15 PolarHBondContact O-N 3.44Å; R12-N15 PolarHBondContact O-N 3.05Å; Q13-N15 VanDerWaalsContact C-N 3.33Å; Q13-N15 PolarHBondContact O-N 3.29Å
16L67.6Low71.9Confident94 Ų9464.5 Ų64.549%0.49232%0.321SS..SBendtrans-72.2140.6175.3-71.3169.9000110.2L18L16-L18 PolarHBondContact O-N 3.23Å
17P76.8Confident73.8Confident71 Ų7163.9 Ų63.946%0.46131%0.311SS..  trans-58.7138.8175-15.326.6000110.1F19P17-F19 HydrophobicContact CB-CE1 3.82Å; P17-F19 HydrophobicContact CB-CE2 4.21Å; P17-F19 HydrophobicContact CB-CZ 3.62Å; P17-F19 HydrophobicContact CG-CZ 4.08Å; P17-F19 WeakPolarHBondContact O-CD2 3.19Å; P17-F19 VanDerWaalsContact O-CE2 3.32Å; P17-F19 WeakPolarHBondContact O-CE2 3.48Å
18L88.3Confident75.4Confident21 Ų2158.1 Ų58.111%0.1130%0.297CS..  trans-102111.7-178.5-62.9162.8000108.9L16 S20 S53 V261 Q265L16-L18 PolarHBondContact O-N 3.23Å; L18-S20 PolarHBondContact O-N 3.14Å; L18-S53 WeakPolarHBondContact O-CB 3.39Å; L18-S53 PolarHBondContact O-N 2.89Å; L18-V261 HydrophobicContact CD1-CG1 3.46Å; L18-V261 VanDerWaalsContact CD1-CG1 3.46Å; L18-Q265 HydrophobicContact CD1-CG 3.24Å; L18-Q265 HydrophobicContact CD2-CB 4.18Å; L18-Q265 HydrophobicContact CD2-CG 3.58Å; L18-Q265 HydrophobicContact CG-CG 4Å
19F91.9Very high77Confident9 Ų958.6 Ų58.64%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-94.2103.8-175.1-50.6-75.2000109.6P17 S53 V55 I73 N74 F271 Y277P17-F19 HydrophobicContact CB-CE1 3.82Å; P17-F19 HydrophobicContact CB-CE2 4.21Å; P17-F19 HydrophobicContact CB-CZ 3.62Å; P17-F19 HydrophobicContact CG-CZ 4.08Å; P17-F19 WeakPolarHBondContact O-CD2 3.19Å; P17-F19 VanDerWaalsContact O-CE2 3.32Å; P17-F19 WeakPolarHBondContact O-CE2 3.48Å; F19-S53 CarbonylContact C-O 3.5Å; F19-S53 WeakPolarHBondContact CA-O 3.32Å; F19-V55 HydrophobicContact CB-CG2 4.34Å; F19-I73 HydrophobicContact CB-CG2 4.4Å; F19-I73 CarbonylContact O-C 3.39Å; F19-I73 WeakPolarHBondContact O-CA 3.49Å; F19-I73 WeakPolarHBondContact O-CB 3.47Å; F19-N74 WeakPolarHBondContact CD2-OD1 3.47Å; F19-N74 PolarHBondContact N-OD1 3.43Å; F19-N74 PolarHBondContact O-N 3.23Å; F19-F271 HydrophobicContact CB-CD2 4.16Å; F19-F271 HydrophobicContact CB-CE2 3.77Å; F19-F271 AromaticContact CD1-CD2 3.75Å; F19-F271 HydrophobicContact CD1-CD2 3.75Å; F19-F271 AromaticContact CD1-CE2 3.85Å; F19-F271 HydrophobicContact CD1-CE2 3.85Å; F19-F271 AromaticContact CD2-CD2 3.56Å; F19-F271 HydrophobicContact CD2-CD2 3.56Å; F19-F271 HydrophobicContact CD2-CE2 4.09Å; F19-F271 AromaticContact CE1-CD2 3.94Å; F19-F271 HydrophobicContact CE1-CD2 3.94Å; F19-F271 HydrophobicContact CE1-CE2 4.45Å; F19-F271 HydrophobicContact CE2-CB 4.44Å; F19-F271 AromaticContact CE2-CD2 3.76Å; F19-F271 HydrophobicContact CE2-CD2 3.76Å; F19-F271 AromaticContact CG-CD2 3.53Å; F19-F271 HydrophobicContact CG-CD2 3.53Å; F19-F271 AromaticContact CG-CE2 3.62Å; F19-F271 HydrophobicContact CG-CE2 3.62Å; F19-F271 HydrophobicContact CZ-CB 4.45Å; F19-F271 AromaticContact CZ-CD2 3.92Å; F19-F271 HydrophobicContact CZ-CD2 3.92Å; F19-Y277 AromaticContact CD1-CD2 3.28Å; F19-Y277 HydrophobicContact CD1-CD2 3.28Å; F19-Y277 AromaticContact CD1-CE2 3.64Å; F19-Y277 HydrophobicContact CD1-CE2 3.64Å; F19-Y277 AromaticContact CD1-CG 3.86Å; F19-Y277 HydrophobicContact CD1-CG 3.86Å; F19-Y277 AromaticContact CE1-CD1 3.92Å; F19-Y277 HydrophobicContact CE1-CD1 3.92Å; F19-Y277 AromaticContact CE1-CD2 3.3Å; F19-Y277 HydrophobicContact CE1-CD2 3.3Å; F19-Y277 HydrophobicContact CE1-CE1 4.4Å; F19-Y277 AromaticContact CE1-CE2 3.87Å; F19-Y277 HydrophobicContact CE1-CE2 3.87Å; F19-Y277 AromaticContact CE1-CG 3.33Å; F19-Y277 HydrophobicContact CE1-CG 3.33Å; F19-Y277 HydrophobicContact CG-CD2 4.46Å; F19-Y277 HydrophobicContact CZ-CD2 4.48Å; F19-Y277 HydrophobicContact CZ-CG 4.26Å
20S93.6Very high78.5Confident4 Ų463.3 Ų63.33%0.02833%0.325CS..EExtended strand (participates in β ladder)trans-91.4117.6173.4-61.70000110L18 A52 S53 V54 V55L18-S20 PolarHBondContact O-N 3.14Å; S20-A52 WeakPolarHBondContact OG-CB 3.46Å; S20-S53 PolarHBondContact N-O 3.21Å; S20-V54 WeakPolarHBondContact O-CA 3.46Å; S20-V55 PolarHBondContact O-N 3.36Å
21G97.8Very high80Confident0 Ų062 Ų620%031%0.314CS..EExtended strand (participates in β ladder)trans-75.4131.2170.500000110.2V55 G75 F77G21-V55 CarbonylContact C-O 3.01Å; G21-V55 VanDerWaalsContact CA-O 3.27Å; G21-V55 WeakPolarHBondContact CA-O 3.4Å; G21-G75 PolarHBondContact N-O 3.44Å; G21-F77 PolarHBondContact O-N 2.87Å
22I98.3Very high81.6Confident0 Ų060.7 Ų60.70%032%0.316CS..EExtended strand (participates in β ladder)trans-111.4120.6169.8-54.5179.5000108.4A24 M39 V44 L47 V54 V55 L57 F77 P79I22-A24 PolarHBondContact O-N 3.17Å; I22-M39 HydrophobicContact CB-CE 3.58Å; I22-M39 HydrophobicContact CB-SD 3.68Å; I22-M39 HydrophobicContact CD1-SD 3.91Å; I22-M39 HydrophobicContact CG1-SD 4.39Å; I22-M39 HydrophobicContact CG2-CE 3.57Å; I22-M39 HydrophobicContact CG2-CG 3.88Å; I22-M39 HydrophobicContact CG2-SD 3.46Å; I22-M39 WeakPolarHBondContact CG2-SD 3.37Å; I22-M39 VanDerWaalsContact O-CE 3.27Å; I22-M39 WeakPolarHBondContact O-CE 3.47Å; I22-V44 HydrophobicContact CD1-CG2 4.06Å; I22-L47 HydrophobicContact CD1-CD1 3.68Å; I22-L47 HydrophobicContact CD1-CG 4.35Å; I22-L47 HydrophobicContact CG1-CD1 3.66Å; I22-V54 HydrophobicContact CD1-CG1 3.55Å; I22-V54 HydrophobicContact CD1-CG2 4.31Å; I22-V54 HydrophobicContact CG1-CG1 3.9Å; I22-V55 PolarHBondContact N-O 2.93Å; I22-L57 PolarHBondContact O-N 2.6Å; I22-F77 WeakPolarHBondContact CA-O 3.31Å; I22-F77 HydrophobicContact CG1-CB 4.1Å; I22-F77 HydrophobicContact CG2-CD1 4.05Å; I22-P79 HydrophobicContact CG2-CG 4.4Å
23L98.1Very high83.3Confident0 Ų056.9 Ų56.90%032%0.316CS..EExtended strand (participates in β ladder)trans-70.2125.8176.5-167.256.7000110.3L57 L59 L76 F77 V78 P79 V90 V93 F94L23-L57 HydrophobicContact CD1-CB 4.09Å; L23-L59 HydrophobicContact CD1-CD2 3.97Å; L23-L59 HydrophobicContact CG-CD2 4.38Å; L23-L76 HydrophobicContact CB-CD1 4.33Å; L23-F77 PolarHBondContact N-O 3.35Å; L23-V78 HydrophobicContact CD2-CG1 4.32Å; L23-P79 WeakPolarHBondContact O-CD 3.25Å; L23-P79 WeakPolarHBondContact O-CG 3.37Å; L23-V90 HydrophobicContact CD2-CG2 3.48Å; L23-V90 VanDerWaalsContact CD2-CG2 3.48Å; L23-V90 HydrophobicContact CG-CG2 3.85Å; L23-V93 HydrophobicContact CD1-CB 4.4Å; L23-V93 HydrophobicContact CD1-CG1 3.7Å; L23-F94 HydrophobicContact CD2-CB 3.9Å; L23-F94 HydrophobicContact CD2-CD2 4.47Å
24A97.3Very high84.9Confident0 Ų054.4 Ų54.40%030%0.303CS..  trans-69.2156.7168.600000110I22 M38 L57 L59 F303I22-A24 PolarHBondContact O-N 3.17Å; A24-M38 CarbonylContact C-O 3.6Å; A24-M38 VanDerWaalsContact CA-O 3.29Å; A24-M38 WeakPolarHBondContact CA-O 3.25Å; A24-M38 WeakPolarHBondContact CB-O 3.42Å; A24-L57 WeakPolarHBondContact CB-O 3.48Å; A24-L57 PolarHBondContact N-O 2.8Å; A24-L59 HydrophobicContact CB-CG 4.48Å; A24-L59 VanDerWaalsContact O-CD2 3.28Å; A24-L59 WeakPolarHBondContact O-CD2 3.4Å; A24-L59 WeakPolarHBondContact O-CG 3.49Å; A24-F303 HydrophobicContact CB-CD2 3.85Å; A24-F303 HydrophobicContact CB-CE2 4.05Å
25V95.8Very high86.4Confident3 Ų346.7 Ų46.72%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-115.8156.7178.6-65.60000110.8S37 M38 P79 V90 L118V25-S37 CarbonylContact O-C 3.56Å; V25-S37 VanDerWaalsContact O-CA 3.26Å; V25-S37 WeakPolarHBondContact O-CA 3.33Å; V25-S37 VanDerWaalsContact O-CB 3.28Å; V25-S37 WeakPolarHBondContact O-CB 3.42Å; V25-M38 HydrophobicContact CG2-CG 3.88Å; V25-M38 PolarHBondContact N-O 3.49Å; V25-M38 PolarHBondContact O-N 3Å; V25-P79 HydrophobicContact CG1-CG 3.77Å; V25-V90 HydrophobicContact CG1-CG2 4.26Å; V25-L118 HydrophobicContact CB-CD2 4.45Å; V25-L118 HydrophobicContact CG1-CD2 3.97Å
26D94Very high87.5Confident24 Ų2444 Ų4413%0.12826%0.26CS..EExtended strand (participates in β ladder)trans-53.4146.9171.8-61.9-113000111.1L59 V83 K89 V90D26-L59 WeakPolarHBondContact OD2-CD1 3.24Å; D26-V83 HydrophobicContact CB-CB 4.3Å; D26-V83 HydrophobicContact CB-CG1 3.57Å; D26-V83 HydrophobicContact CB-CG2 4.14Å; D26-K89 WeakPolarHBondContact OD1-CB 3.17Å; D26-K89 VanDerWaalsContact OD1-CG 3.3Å; D26-K89 WeakPolarHBondContact OD1-CG 3.47Å; D26-K89 PolarHBondContact OD1-N 3.26Å; D26-K89 PolarHBondContact OD2-N 2.98Å; D26-V90 WeakPolarHBondContact OD2-CB 3.41Å; D26-V90 WeakPolarHBondContact OD2-CG1 3.2Å; D26-V90 PolarHBondContact OD2-N 2.89Å
27I89.7Confident88.8Confident33 Ų3339.6 Ų39.617%0.16924%0.237CC..  trans-111.3160.7174.557.4172.5000111E31 G35 M38I27-E31 HydrophobicContact CB-CB 4.19Å; I27-E31 HydrophobicContact CD1-CB 4.07Å; I27-E31 WeakPolarHBondContact CD1-O 3.48Å; I27-G35 WeakPolarHBondContact CD1-O 3.06Å; I27-M38 HydrophobicContact CG2-CB 3.46Å; I27-M38 VanDerWaalsContact CG2-CB 3.46Å; I27-M38 HydrophobicContact CG2-CG 3.39Å; I27-M38 HydrophobicContact CG2-SD 4Å
28G82.1Confident89.7Confident38 Ų3836.3 Ų36.339%0.39222%0.215SC..  trans-74.6172.5171.700000112.7K30 E31G28-K30 PolarHBondContact O-N 3.45Å; G28-E31 WeakPolarHBondContact CA-OE2 3.48Å; G28-E31 PolarHBondContact N-OE2 3.3Å; G28-E31 PolarHBondContact O-N 2.77Å; G28-E31 VanDerWaalsContact O-OE2 3.06Å
29S79.3Confident90Very high115 Ų11535.3 Ų35.380%0.80421%0.21SC*.G310 helixtrans-65-25.9177.254.70000113.3E31S29-E31 PolarHBondContact O-N 3.36Å
30K77.4Confident90.2Very high179 Ų17935.2 Ų35.278%0.77821%0.21SC*.G310 helixtrans-69.1-22.5179.9-70.7-177.1178.9-178.30112.5G28G28-K30 PolarHBondContact O-N 3.45Å
31E81.3Confident90.4Very high19 Ų1935 Ų359%0.08921%0.209CC..G310 helixtrans-109.30.8-173.6-55.780.1-171.400113.1I27 G28 S29 S33 F34 G35 Y295 F302I27-E31 HydrophobicContact CB-CB 4.19Å; I27-E31 HydrophobicContact CD1-CB 4.07Å; I27-E31 WeakPolarHBondContact CD1-O 3.48Å; G28-E31 WeakPolarHBondContact CA-OE2 3.48Å; G28-E31 PolarHBondContact N-OE2 3.3Å; G28-E31 PolarHBondContact O-N 2.77Å; G28-E31 VanDerWaalsContact O-OE2 3.06Å; S29-E31 PolarHBondContact O-N 3.36Å; E31-S33 PolarHBondContact O-N 2.95Å; E31-F34 HydrophobicContact CB-CD2 4.22Å; E31-F34 WeakPolarHBondContact O-CB 3.42Å; E31-F34 PolarHBondContact O-N 3.25Å; E31-G35 PolarHBondContact O-N 3.48Å; E31-Y295 HydrophobicContact CG-CE2 3.81Å; E31-Y295 WeakPolarHBondContact CG-OH 3.42Å; E31-Y295 VanDerWaalsContact OE1-CZ 3.24Å; E31-Y295 PolarHBondContact OE1-OH 2.95Å; E31-F302 HydrophobicContact CB-CE1 4.17Å; E31-F302 HydrophobicContact CG-CE1 4.5Å
32A80.8Confident90.4Very high62 Ų6235.1 Ų35.151%0.51221%0.21SC..THydrogen-bonded Turntrans-55.8-22.6177.600000113.1F34A32-F34 VanDerWaalsContact C-N 3.31Å
33S84.7Confident90.4Very high93 Ų9335.2 Ų35.265%0.6521%0.21SC*.THydrogen-bonded Turntrans-70.6-23172.555.30000113.9E31E31-S33 PolarHBondContact O-N 2.95Å
34F84.4Confident90.4Very high75 Ų7535.2 Ų35.233%0.32921%0.21SC..THydrogen-bonded Turntrans-91.7-23.1-179.7-60.9-73.5000112.9E31 A32 M293 F302 Q304E31-F34 HydrophobicContact CB-CD2 4.22Å; E31-F34 WeakPolarHBondContact O-CB 3.42Å; E31-F34 PolarHBondContact O-N 3.25Å; A32-F34 VanDerWaalsContact C-N 3.31Å; F34-M293 HydrophobicContact CD1-CE 4Å; F34-M293 HydrophobicContact CD2-CE 4.33Å; F34-M293 HydrophobicContact CD2-SD 4.1Å; F34-M293 HydrophobicContact CE1-CE 3.46Å; F34-M293 VanDerWaalsContact CE1-CE 3.46Å; F34-M293 HydrophobicContact CE1-SD 4.37Å; F34-M293 HydrophobicContact CE2-CE 3.85Å; F34-M293 HydrophobicContact CE2-CG 4.27Å; F34-M293 HydrophobicContact CE2-SD 3.63Å; F34-M293 HydrophobicContact CG-CE 4.42Å; F34-M293 HydrophobicContact CZ-CE 3.38Å; F34-M293 HydrophobicContact CZ-CG 4.25Å; F34-M293 HydrophobicContact CZ-SD 3.79Å; F34-F302 HydrophobicContact CB-CB 3.91Å; F34-F302 HydrophobicContact CB-CD1 3.52Å; F34-F302 HydrophobicContact CB-CD2 3.98Å; F34-F302 HydrophobicContact CB-CE1 3.95Å; F34-F302 HydrophobicContact CB-CE2 4.36Å; F34-F302 HydrophobicContact CB-CG 3.53Å; F34-F302 HydrophobicContact CB-CZ 4.35Å; F34-F302 HydrophobicContact CD2-CE1 4.48Å; F34-F302 HydrophobicContact CD2-CZ 4.49Å; F34-F302 HydrophobicContact CG-CD1 4.43Å; F34-F302 HydrophobicContact CG-CD2 4.46Å; F34-F302 HydrophobicContact CG-CE1 4.44Å; F34-F302 HydrophobicContact CG-CE2 4.47Å; F34-F302 HydrophobicContact CG-CG 4.44Å; F34-F302 HydrophobicContact CG-CZ 4.45Å; F34-F302 VanDerWaalsContact O-CB 3.31Å; F34-F302 WeakPolarHBondContact O-CB 3.23Å; F34-Q304 PolarHBondContact O-NE2 3.46Å; F34-Q304 VanDerWaalsContact O-NE2 3.15Å
35G87.4Confident90.5Very high1 Ų138.3 Ų38.31%0.0122%0.222CC..  trans169.7-164178.500000113.5I27 E31 F303I27-G35 WeakPolarHBondContact CD1-O 3.06Å; E31-G35 PolarHBondContact O-N 3.48Å; G35-F303 CarbonylContact C-O 3.57Å; G35-F303 WeakPolarHBondContact CA-O 3.24Å
36N90.1Very high90.5Very high84 Ų8438.3 Ų38.345%0.44922%0.222SC..SBendtrans-105.9-18.5174.9-76.7-45.3000113.2F303 Q304N36-F303 PolarHBondContact N-O 2.85Å; N36-Q304 PolarHBondContact ND2-OXT 3.31Å
37S95.6Very high90.7Very high0 Ų037.2 Ų37.20%022%0.216CC..EExtended strand (participates in β ladder)trans-153164.5175.957.60000110.6V25 L59 F303V25-S37 CarbonylContact O-C 3.56Å; V25-S37 VanDerWaalsContact O-CA 3.26Å; V25-S37 WeakPolarHBondContact O-CA 3.33Å; V25-S37 VanDerWaalsContact O-CB 3.28Å; V25-S37 WeakPolarHBondContact O-CB 3.42Å; S37-L59 PolarHBondContact OG-N 2.96Å; S37-F303 PolarHBondContact N-O 3.47Å; S37-F303 PolarHBondContact O-N 2.81Å
38M95.2Very high91.1Very high2 Ų238.3 Ų38.31%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-136.6168.9-178.971.3165.9-81.600113.6A24 V25 I27 F297 A300 Y301 F302A24-M38 CarbonylContact C-O 3.6Å; A24-M38 VanDerWaalsContact CA-O 3.29Å; A24-M38 WeakPolarHBondContact CA-O 3.25Å; A24-M38 WeakPolarHBondContact CB-O 3.42Å; V25-M38 HydrophobicContact CG2-CG 3.88Å; V25-M38 PolarHBondContact N-O 3.49Å; V25-M38 PolarHBondContact O-N 3Å; I27-M38 HydrophobicContact CG2-CB 3.46Å; I27-M38 VanDerWaalsContact CG2-CB 3.46Å; I27-M38 HydrophobicContact CG2-CG 3.39Å; I27-M38 HydrophobicContact CG2-SD 4Å; M38-F297 HydrophobicContact CE-CE2 3.88Å; M38-F297 HydrophobicContact CE-CZ 3.72Å; M38-F297 HydrophobicContact SD-CZ 4.43Å; M38-A300 HydrophobicContact CE-CB 3.75Å; M38-Y301 CarbonylContact C-O 3.59Å; M38-Y301 WeakPolarHBondContact CA-O 3.03Å; M38-Y301 WeakPolarHBondContact CB-O 3.14Å; M38-F302 HydrophobicContact CB-CD1 3.95Å; M38-F302 HydrophobicContact CB-CE1 4.13Å
39M95.2Very high91.7Very high1 Ų139.4 Ų39.41%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-147.1127.1169.8179.4-170.4-50.200109.9I22 V44 P56 A300 Y301 F303I22-M39 HydrophobicContact CB-CE 3.58Å; I22-M39 HydrophobicContact CB-SD 3.68Å; I22-M39 HydrophobicContact CD1-SD 3.91Å; I22-M39 HydrophobicContact CG1-SD 4.39Å; I22-M39 HydrophobicContact CG2-CE 3.57Å; I22-M39 HydrophobicContact CG2-CG 3.88Å; I22-M39 HydrophobicContact CG2-SD 3.46Å; I22-M39 WeakPolarHBondContact CG2-SD 3.37Å; I22-M39 VanDerWaalsContact O-CE 3.27Å; I22-M39 WeakPolarHBondContact O-CE 3.47Å; M39-V44 HydrophobicContact CG-CG2 4.4Å; M39-V44 HydrophobicContact SD-CG2 3.53Å; M39-V44 VanDerWaalsContact SD-CG2 3.53Å; M39-P56 HydrophobicContact CE-CB 3.77Å; M39-A300 CarbonylContact O-C 3.51Å; M39-A300 WeakPolarHBondContact O-CA 3.45Å; M39-Y301 PolarHBondContact N-O 3.46Å; M39-Y301 PolarHBondContact O-N 3.44Å; M39-F303 HydrophobicContact CB-CE2 3.74Å; M39-F303 HydrophobicContact CB-CZ 4.27Å; M39-F303 HydrophobicContact CE-CE2 4.04Å; M39-F303 HydrophobicContact CE-CZ 3.94Å
40T96.1Very high92.5Very high6 Ų634.8 Ų34.84%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-67.6135.4174.9-44.10000110.5S42 Y43 E236 F297T40-S42 VanDerWaalsContact C-N 3.26Å; T40-S42 WeakPolarHBondContact CG2-OG 3.34Å; T40-S42 PolarHBondContact O-N 3.4Å; T40-Y43 WeakPolarHBondContact O-CD2 3.46Å; T40-Y43 PolarHBondContact O-N 2.98Å; T40-E236 WeakPolarHBondContact CG2-OE1 3.32Å; T40-F297 HydrophobicContact CG2-CB 3.7Å; T40-F297 HydrophobicContact CG2-CD2 3.89Å; T40-F297 HydrophobicContact CG2-CG 3.79Å
41A97.9Very high93.4Very high1 Ų128.9 Ų28.91%0.00818%0.183CC..Hα-helixtrans-67.3-25.5-173.400000113.4Y43 V44 Y45 Q299 Y301A41-Y43 PolarHBondContact O-N 2.82Å; A41-V44 WeakPolarHBondContact O-CA 3.31Å; A41-V44 WeakPolarHBondContact O-CB 3.45Å; A41-V44 PolarHBondContact O-N 3.05Å; A41-Y45 HydrophobicContact CB-CD2 4.41Å; A41-Y45 HydrophobicContact CB-CE1 4.39Å; A41-Y45 HydrophobicContact CB-CE2 3.7Å; A41-Y45 WeakPolarHBondContact O-CD2 3.49Å; A41-Y45 VanDerWaalsContact O-CG 3.28Å; A41-Y45 PolarHBondContact O-N 3.19Å; A41-Q299 HydrophobicContact CB-CB 3.66Å; A41-Q299 WeakPolarHBondContact CB-O 3.17Å; A41-Q299 PolarHBondContact N-O 3.48Å; A41-Y301 HydrophobicContact CB-CD2 4.23Å; A41-Y301 HydrophobicContact CB-CE2 3.8Å
42S98Very high94.1Very high2 Ų228.2 Ų28.21%0.01418%0.18CC..Hα-helixtrans-57-34176.343.80000113.7T40 Y45 M46 E236T40-S42 VanDerWaalsContact C-N 3.26Å; T40-S42 WeakPolarHBondContact CG2-OG 3.34Å; T40-S42 PolarHBondContact O-N 3.4Å; S42-Y45 PolarHBondContact O-N 2.75Å; S42-M46 WeakPolarHBondContact O-CB 3.47Å; S42-M46 PolarHBondContact O-N 2.99Å; S42-E236 WeakPolarHBondContact CB-OE1 3.44Å; S42-E236 PolarHBondContact OG-OE1 2.97Å
43Y98.2Very high94.9Very high2 Ų226.5 Ų26.51%0.00816%0.164CC..Hα-helixtrans-67.3-41.7173.6-60-60.8000112.4T40 A41 M46 L47 F77 P79 G80 T116 H229 E231T40-Y43 WeakPolarHBondContact O-CD2 3.46Å; T40-Y43 PolarHBondContact O-N 2.98Å; A41-Y43 PolarHBondContact O-N 2.82Å; Y43-M46 PolarHBondContact O-N 2.76Å; Y43-L47 WeakPolarHBondContact O-CG 3.34Å; Y43-L47 PolarHBondContact O-N 2.81Å; Y43-F77 HydrophobicContact CD1-CD1 4.43Å; Y43-F77 AromaticContact CD1-CE1 3.26Å; Y43-F77 HydrophobicContact CD1-CE1 3.26Å; Y43-F77 AromaticContact CD1-CZ 3.43Å; Y43-F77 HydrophobicContact CD1-CZ 3.43Å; Y43-F77 VanDerWaalsContact CD1-CZ 3.43Å; Y43-F77 AromaticContact CE1-CE1 3.84Å; Y43-F77 HydrophobicContact CE1-CE1 3.84Å; Y43-F77 AromaticContact CE1-CZ 3.94Å; Y43-F77 HydrophobicContact CE1-CZ 3.94Å; Y43-F77 AromaticContact CG-CE1 3.72Å; Y43-F77 HydrophobicContact CG-CE1 3.72Å; Y43-F77 HydrophobicContact CG-CZ 4.28Å; Y43-P79 HydrophobicContact CD1-CB 4.28Å; Y43-P79 HydrophobicContact CD2-CB 3.4Å; Y43-P79 HydrophobicContact CE1-CB 4.19Å; Y43-P79 HydrophobicContact CE2-CB 3.3Å; Y43-P79 HydrophobicContact CG-CB 3.91Å; Y43-G80 WeakPolarHBondContact OH-CA 3.43Å; Y43-G80 PolarHBondContact OH-N 3.49Å; Y43-G80 VanDerWaalsContact OH-N 3.07Å; Y43-T116 HydrophobicContact CE1-CG2 3.96Å; Y43-H229 PolarHBondContact OH-CE1 2.88Å; Y43-H229 VanDerWaalsContact OH-CE1 3.29Å; Y43-H229 PolarHBondContact OH-ND1 3.3Å; Y43-E231 HydrophobicContact CD1-CB 4.42Å; Y43-E231 HydrophobicContact CD1-CG 3.82Å; Y43-E231 HydrophobicContact CE1-CG 3.64Å; Y43-E231 WeakPolarHBondContact CE1-OE1 3.16Å; Y43-E231 PolarHBondContact OH-OE1 3.49Å
44V98.3Very high95.5Very high0 Ų022 Ų220%013%0.133CC..Hα-helixtrans-60.4-48.9175.2179.60000109.5I22 M39 A41 M46 L47 L48 V54 I282 Y301I22-V44 HydrophobicContact CD1-CG2 4.06Å; M39-V44 HydrophobicContact CG-CG2 4.4Å; M39-V44 HydrophobicContact SD-CG2 3.53Å; M39-V44 VanDerWaalsContact SD-CG2 3.53Å; A41-V44 WeakPolarHBondContact O-CA 3.31Å; A41-V44 WeakPolarHBondContact O-CB 3.45Å; A41-V44 PolarHBondContact O-N 3.05Å; V44-M46 VanDerWaalsContact C-N 3.34Å; V44-M46 PolarHBondContact O-N 3.49Å; V44-L47 PolarHBondContact O-N 2.77Å; V44-L48 HydrophobicContact CG1-CD1 3.73Å; V44-L48 HydrophobicContact CG1-CG 4.13Å; V44-L48 WeakPolarHBondContact O-CB 3.47Å; V44-L48 VanDerWaalsContact O-CG 3.3Å; V44-L48 WeakPolarHBondContact O-CG 3.25Å; V44-L48 PolarHBondContact O-N 3.12Å; V44-V54 HydrophobicContact CG1-CB 4.45Å; V44-V54 HydrophobicContact CG1-CG1 4.36Å; V44-V54 HydrophobicContact CG1-CG2 4.3Å; V44-V54 HydrophobicContact CG2-CG1 4.42Å; V44-I282 HydrophobicContact CG1-CG1 3.96Å; V44-I282 HydrophobicContact CG1-CG2 4.19Å; V44-I282 HydrophobicContact CG2-CD1 4.37Å; V44-I282 HydrophobicContact CG2-CG1 4.16Å; V44-Y301 HydrophobicContact CB-CE2 4.17Å; V44-Y301 HydrophobicContact CG1-CE2 4.41Å; V44-Y301 HydrophobicContact CG2-CD2 4.03Å; V44-Y301 HydrophobicContact CG2-CE2 3.7Å
45Y98.2Very high96.1Very high65 Ų6518.5 Ų18.526%0.25512%0.118SC..Hα-helixtrans-63.5-39.4-179.1-56.9-26.7000112.7A41 S42 L47 L48 S49 Y235 Q299A41-Y45 HydrophobicContact CB-CD2 4.41Å; A41-Y45 HydrophobicContact CB-CE1 4.39Å; A41-Y45 HydrophobicContact CB-CE2 3.7Å; A41-Y45 WeakPolarHBondContact O-CD2 3.49Å; A41-Y45 VanDerWaalsContact O-CG 3.28Å; A41-Y45 PolarHBondContact O-N 3.19Å; S42-Y45 PolarHBondContact O-N 2.75Å; Y45-L47 PolarHBondContact O-N 3.42Å; Y45-L48 PolarHBondContact O-N 3.46Å; Y45-S49 VanDerWaalsContact O-CB 3.27Å; Y45-S49 WeakPolarHBondContact O-CB 3.38Å; Y45-S49 PolarHBondContact O-N 3.49Å; Y45-S49 PolarHBondContact O-OG 3.14Å; Y45-Y235 HydrophobicContact CD2-CD1 4.12Å; Y45-Y235 HydrophobicContact CD2-CG 4.27Å; Y45-Y235 HydrophobicContact CG-CD1 4.31Å; Y45-Y235 PolarHBondContact O-OH 3.21Å; Y45-Q299 PolarHBondContact OH-OE1 2.96Å
46M97.6Very high96.7Very high3 Ų318.6 Ų18.62%0.01512%0.118CC..Hα-helixtrans-57.8-48.3175.6-172.4173.868.900111.5S42 Y43 V44 S49 A50 F77 P230 E231 Y235 A257S42-M46 WeakPolarHBondContact O-CB 3.47Å; S42-M46 PolarHBondContact O-N 2.99Å; Y43-M46 PolarHBondContact O-N 2.76Å; V44-M46 VanDerWaalsContact C-N 3.34Å; V44-M46 PolarHBondContact O-N 3.49Å; M46-S49 PolarHBondContact O-N 3.47Å; M46-S49 PolarHBondContact O-OG 2.9Å; M46-A50 PolarHBondContact O-N 3.24Å; M46-F77 HydrophobicContact CE-CD2 4.43Å; M46-F77 HydrophobicContact CE-CE2 3.34Å; M46-F77 HydrophobicContact CE-CZ 3.55Å; M46-P230 HydrophobicContact SD-CG 4.43Å; M46-E231 HydrophobicContact CB-CB 4.32Å; M46-E231 HydrophobicContact CE-CB 4.49Å; M46-E231 HydrophobicContact SD-CB 3.81Å; M46-Y235 HydrophobicContact CB-CD2 4.4Å; M46-Y235 HydrophobicContact CB-CE2 3.76Å; M46-Y235 HydrophobicContact CG-CE2 4.38Å; M46-A257 HydrophobicContact CG-CB 3.6Å; M46-A257 HydrophobicContact SD-CB 4.46Å
47L97.6Very high97Very high0 Ų014.6 Ų14.60%010%0.097CC..Hα-helixtrans-71.3-42.6-179.6-60-168.1000112.9I22 Y43 V44 Y45 S49 A50 G51 A52 V54 F77 L260I22-L47 HydrophobicContact CD1-CD1 3.68Å; I22-L47 HydrophobicContact CD1-CG 4.35Å; I22-L47 HydrophobicContact CG1-CD1 3.66Å; Y43-L47 WeakPolarHBondContact O-CG 3.34Å; Y43-L47 PolarHBondContact O-N 2.81Å; V44-L47 PolarHBondContact O-N 2.77Å; Y45-L47 PolarHBondContact O-N 3.42Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 3.37Å; L47-A50 PolarHBondContact O-N 3.24Å; L47-A50 VanDerWaalsContact O-N 3.11Å; L47-G51 PolarHBondContact O-N 3.19Å; L47-A52 HydrophobicContact CB-CB 4.3Å; L47-A52 PolarHBondContact O-N 2.91Å; L47-A52 VanDerWaalsContact O-N 3.15Å; L47-V54 HydrophobicContact CB-CG2 3.9Å; L47-V54 HydrophobicContact CD1-CG2 4.45Å; L47-F77 HydrophobicContact CD1-CB 4.13Å; L47-F77 HydrophobicContact CD1-CD2 4.42Å; L47-F77 HydrophobicContact CD1-CG 4.35Å; L47-F77 HydrophobicContact CD2-CD2 4.18Å; L47-L260 HydrophobicContact CD2-CD2 3.41Å; L47-L260 VanDerWaalsContact CD2-CD2 3.41Å; L47-L260 HydrophobicContact CD2-CG 4.39Å
48L96.9Very high97.1Very high56 Ų5614.8 Ų14.829%0.29310%0.098SC..Hα-helixtrans-58.6-41.9175.4-70.2178.7000110.9V44 Y45 A50 G51 A52 V54 F283V44-L48 HydrophobicContact CG1-CD1 3.73Å; V44-L48 HydrophobicContact CG1-CG 4.13Å; V44-L48 WeakPolarHBondContact O-CB 3.47Å; V44-L48 VanDerWaalsContact O-CG 3.3Å; V44-L48 WeakPolarHBondContact O-CG 3.25Å; V44-L48 PolarHBondContact O-N 3.12Å; Y45-L48 PolarHBondContact O-N 3.46Å; L48-A50 PolarHBondContact O-N 3.16Å; L48-G51 PolarHBondContact O-N 3.25Å; L48-A52 WeakPolarHBondContact CD2-O 3.45Å; L48-V54 HydrophobicContact CD2-CG2 4Å; L48-V54 HydrophobicContact CG-CG2 4.1Å; L48-F283 HydrophobicContact CD1-CE1 4.32Å; L48-F283 HydrophobicContact CD2-CE1 4.5Å; L48-F283 HydrophobicContact CD2-CZ 4.01Å
49S96.3Very high97.1Very high61 Ų6115.6 Ų15.643%0.42710%0.103SC..Hα-helixtrans-63.5-25.1178.880.80000113.7Y45 M46 L47 G51 Y235Y45-S49 VanDerWaalsContact O-CB 3.27Å; Y45-S49 WeakPolarHBondContact O-CB 3.38Å; Y45-S49 PolarHBondContact O-N 3.49Å; Y45-S49 PolarHBondContact O-OG 3.14Å; M46-S49 PolarHBondContact O-N 3.47Å; M46-S49 PolarHBondContact O-OG 2.9Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 3.37Å; S49-G51 VanDerWaalsContact C-N 3.34Å; S49-Y235 VanDerWaalsContact CB-OH 3.25Å; S49-Y235 WeakPolarHBondContact CB-OH 3.42Å; S49-Y235 PolarHBondContact OG-OH 3.28Å
50A96.3Very high97.1Very high18 Ų1818.5 Ų18.515%0.14912%0.123CC..THydrogen-bonded Turntrans-89.5-0.2177.200000113.3M46 L47 L48 A257 R258 V261M46-A50 PolarHBondContact O-N 3.24Å; L47-A50 PolarHBondContact O-N 3.24Å; L47-A50 VanDerWaalsContact O-N 3.11Å; L48-A50 PolarHBondContact O-N 3.16Å; A50-A257 HydrophobicContact CB-CB 3.77Å; A50-A257 WeakPolarHBondContact CB-O 3.46Å; A50-R258 HydrophobicContact CB-CG 4.27Å; A50-V261 HydrophobicContact CB-CB 4.27Å; A50-V261 HydrophobicContact CB-CG2 3.46Å; A50-V261 VanDerWaalsContact CB-CG2 3.46Å
51G95.1Very high97.1Very high56 Ų5620.7 Ų20.758%0.57713%0.133SC*.THydrogen-bonded Turntrans90.21617700000114.8L47 L48 S49L47-G51 PolarHBondContact O-N 3.19Å; L48-G51 PolarHBondContact O-N 3.25Å; S49-G51 VanDerWaalsContact C-N 3.34Å
52A96.3Very high97Very high5 Ų525.4 Ų25.44%0.04116%0.158CC..  trans-86149.4170.600000111.7S20 L47 L48 V261S20-A52 WeakPolarHBondContact OG-CB 3.46Å; L47-A52 HydrophobicContact CB-CB 4.3Å; L47-A52 PolarHBondContact O-N 2.91Å; L47-A52 VanDerWaalsContact O-N 3.15Å; L48-A52 WeakPolarHBondContact CD2-O 3.45Å; A52-V261 HydrophobicContact CB-CG2 3.76Å
53S96.6Very high97Very high25 Ų2529 Ų2918%0.17518%0.18CC..EExtended strand (participates in β ladder)trans-83.8138.2160.4-69.70000109.3L18 F19 S20 Y277L18-S53 WeakPolarHBondContact O-CB 3.39Å; L18-S53 PolarHBondContact O-N 2.89Å; F19-S53 CarbonylContact C-O 3.5Å; F19-S53 WeakPolarHBondContact CA-O 3.32Å; S20-S53 PolarHBondContact N-O 3.21Å; S53-Y277 WeakPolarHBondContact CB-OH 3Å
54V97.9Very high97Very high0 Ų033.8 Ų33.80%021%0.21CC..EExtended strand (participates in β ladder)trans-105.9135.1-176.6176.20000111.7S20 I22 V44 L47 L48 I282S20-V54 WeakPolarHBondContact O-CA 3.46Å; I22-V54 HydrophobicContact CD1-CG1 3.55Å; I22-V54 HydrophobicContact CD1-CG2 4.31Å; I22-V54 HydrophobicContact CG1-CG1 3.9Å; V44-V54 HydrophobicContact CG1-CB 4.45Å; V44-V54 HydrophobicContact CG1-CG1 4.36Å; V44-V54 HydrophobicContact CG1-CG2 4.3Å; V44-V54 HydrophobicContact CG2-CG1 4.42Å; L47-V54 HydrophobicContact CB-CG2 3.9Å; L47-V54 HydrophobicContact CD1-CG2 4.45Å; L48-V54 HydrophobicContact CD2-CG2 4Å; L48-V54 HydrophobicContact CG-CG2 4.1Å; V54-I282 HydrophobicContact CB-CB 4.14Å; V54-I282 HydrophobicContact CB-CG2 3.78Å; V54-I282 HydrophobicContact CG1-CB 3.95Å; V54-I282 HydrophobicContact CG1-CG1 4.35Å; V54-I282 HydrophobicContact CG1-CG2 4.13Å; V54-I282 PolarHBondContact O-N 2.03Å; V54-I282 VanDerWaalsContact O-N 3.1Å
55V98.3Very high96.9Very high0 Ų035.6 Ų35.60%022%0.224CC..EExtended strand (participates in β ladder)trans-120.5110.8174175.50000108.1F19 S20 G21 I22 L57 L69 I73 F271 Y277 N280F19-V55 HydrophobicContact CB-CG2 4.34Å; S20-V55 PolarHBondContact O-N 3.36Å; G21-V55 CarbonylContact C-O 3.01Å; G21-V55 VanDerWaalsContact CA-O 3.27Å; G21-V55 WeakPolarHBondContact CA-O 3.4Å; I22-V55 PolarHBondContact N-O 2.93Å; V55-L57 HydrophobicContact CG1-CD2 4.19Å; V55-L69 HydrophobicContact CG1-CD2 4.3Å; V55-I73 HydrophobicContact CB-CG2 4.15Å; V55-I73 HydrophobicContact CG1-CG2 4.24Å; V55-I73 HydrophobicContact CG2-CG2 4.23Å; V55-F271 HydrophobicContact CG1-CZ 4.39Å; V55-F271 HydrophobicContact CG2-CE2 3.86Å; V55-F271 HydrophobicContact CG2-CZ 3.77Å; V55-Y277 HydrophobicContact CG2-CD2 4.15Å; V55-Y277 HydrophobicContact CG2-CE2 4.09Å; V55-N280 HydrophobicContact CG1-CB 4.25Å
56P98.2Very high96.9Very high3 Ų332.7 Ų32.72%0.01921%0.213CC..EExtended strand (participates in β ladder)trans-67.9143.8173.228.1-33.6000111M39 P58 N280 I282 Y285 F303M39-P56 HydrophobicContact CE-CB 3.77Å; P56-P58 VanDerWaalsContact C-CD 3.47Å; P56-P58 WeakPolarHBondContact O-CD 3.49Å; P56-N280 WeakPolarHBondContact CD-O 3.36Å; P56-I282 HydrophobicContact CB-CD1 4.05Å; P56-I282 HydrophobicContact CG-CD1 3.94Å; P56-Y285 HydrophobicContact CG-CD2 4Å; P56-Y285 HydrophobicContact CG-CE2 3.6Å; P56-F303 HydrophobicContact CB-CD1 4.45Å; P56-F303 HydrophobicContact CB-CE1 3.51Å; P56-F303 HydrophobicContact CB-CE2 4.48Å; P56-F303 HydrophobicContact CB-CZ 3.52Å; P56-F303 HydrophobicContact CG-CE1 3.91Å; P56-F303 HydrophobicContact CG-CZ 4.35Å
57L98.2Very high97Very high0 Ų036 Ų360%023%0.226CC..EExtended strand (participates in β ladder)trans-119.281.6175-52.6170.1000108.9I22 L23 A24 V55 L69 I73 L76 Y97I22-L57 PolarHBondContact O-N 2.6Å; L23-L57 HydrophobicContact CD1-CB 4.09Å; A24-L57 WeakPolarHBondContact CB-O 3.48Å; A24-L57 PolarHBondContact N-O 2.8Å; V55-L57 HydrophobicContact CG1-CD2 4.19Å; L57-L69 HydrophobicContact CD2-CB 4.05Å; L57-L69 HydrophobicContact CD2-CD1 3.67Å; L57-L69 HydrophobicContact CD2-CG 4.46Å; L57-I73 HydrophobicContact CD1-CD1 4.14Å; L57-L76 HydrophobicContact CD1-CD1 3.46Å; L57-L76 VanDerWaalsContact CD1-CD1 3.46Å; L57-Y97 HydrophobicContact CD1-CE1 4.12Å; L57-Y97 HydrophobicContact CD1-CE2 4.36Å
58P96.9Very high97Very high4 Ų439.9 Ų39.93%0.02624%0.244CC..  trans-55146.2174.9-25.934.3000113.1P56 S60 M61 H66 F303P56-P58 VanDerWaalsContact C-CD 3.47Å; P56-P58 WeakPolarHBondContact O-CD 3.49Å; P58-S60 PolarHBondContact O-N 3.22Å; P58-M61 HydrophobicContact CB-CG 4.44Å; P58-M61 HydrophobicContact CG-CE 4.03Å; P58-M61 PolarHBondContact O-N 2.98Å; P58-H66 PolarHBondContact O-CE1 2.98Å; P58-H66 PolarHBondContact O-NE2 3.42Å; P58-F303 HydrophobicContact CB-CB 3.8Å; P58-F303 HydrophobicContact CB-CG 4.18Å; P58-F303 HydrophobicContact CG-CB 3.87Å; P58-F303 HydrophobicContact CG-CD1 3.8Å; P58-F303 HydrophobicContact CG-CG 3.84Å
59L95.9Very high97Very high20 Ų2037.6 Ų37.611%0.10523%0.232CC..THydrogen-bonded Turntrans-75.5-10178.1-60-178.2000113.9L23 A24 D26 S37 M61 K89 V90 V93L23-L59 HydrophobicContact CD1-CD2 3.97Å; L23-L59 HydrophobicContact CG-CD2 4.38Å; A24-L59 HydrophobicContact CB-CG 4.48Å; A24-L59 VanDerWaalsContact O-CD2 3.28Å; A24-L59 WeakPolarHBondContact O-CD2 3.4Å; A24-L59 WeakPolarHBondContact O-CG 3.49Å; D26-L59 WeakPolarHBondContact OD2-CD1 3.24Å; S37-L59 PolarHBondContact OG-N 2.96Å; L59-M61 VanDerWaalsContact C-N 3.34Å; L59-K89 HydrophobicContact CD1-CB 4.23Å; L59-V90 HydrophobicContact CD1-CB 4.04Å; L59-V90 HydrophobicContact CD2-CB 4.17Å; L59-V90 HydrophobicContact CD2-CG2 4.25Å; L59-V93 HydrophobicContact CD2-CB 4.07Å; L59-V93 HydrophobicContact CD2-CG1 4.44Å; L59-V93 HydrophobicContact CD2-CG2 3.87Å
60S94Very high97.1Very high62 Ų6235 Ų3543%0.43421%0.212SC..THydrogen-bonded Turntrans-78.3-16.9177.450.60000113.1P58 Q304P58-S60 PolarHBondContact O-N 3.22Å; S60-Q304 WeakPolarHBondContact CB-O 3.38Å; S60-Q304 PolarHBondContact OG-O 3.28Å
61M95.6Very high97.2Very high52 Ų5239.9 Ų39.926%0.25623%0.227SC..SBendtrans-67.4144.8177.8-68.8179.6172.400111.5P58 L59 A65 H66 L69P58-M61 HydrophobicContact CB-CG 4.44Å; P58-M61 HydrophobicContact CG-CE 4.03Å; P58-M61 PolarHBondContact O-N 2.98Å; L59-M61 VanDerWaalsContact C-N 3.34Å; M61-A65 HydrophobicContact CB-CB 4.24Å; M61-H66 PolarHBondContact O-CD2 3.13Å; M61-L69 HydrophobicContact CE-CD1 4.15Å; M61-L69 HydrophobicContact SD-CD1 3.79Å
62D96.4Very high97.3Very high100 Ų10037.7 Ų37.754%0.53520%0.202SC..  trans-74.1166.4173.273.543.1000112.1T64 A65 H66D62-T64 PolarHBondContact O-N 3.47Å; D62-T64 VanDerWaalsContact OD1-CA 3.29Å; D62-T64 WeakPolarHBondContact OD1-CA 3.3Å; D62-T64 VanDerWaalsContact OD1-CB 3.22Å; D62-T64 WeakPolarHBondContact OD1-CB 3.5Å; D62-T64 PolarHBondContact OD1-N 3.5Å; D62-A65 PolarHBondContact O-N 2.7Å; D62-A65 PolarHBondContact OD1-N 3.45Å; D62-H66 PolarHBondContact O-CD2 3.08Å; D62-H66 PolarHBondContact O-N 2.99Å
63V97.5Very high97.4Very high78 Ų7837.4 Ų37.447%0.47320%0.2SC..Hα-helixtrans-62.2-28-178.667.50000113R67 W100V63-R67 WeakPolarHBondContact O-CB 3.21Å; V63-R67 PolarHBondContact O-N 3.47Å; V63-W100 HydrophobicContact CG2-CH2 4.02Å; V63-W100 HydrophobicContact CG2-CZ2 3.77Å
64T98.1Very high97.4Very high102 Ų10236.5 Ų36.563%0.62619%0.193SC*.Hα-helixtrans-73.3-45.5179.2-54.20000110.3D62 R67 E68D62-T64 PolarHBondContact O-N 3.47Å; D62-T64 VanDerWaalsContact OD1-CA 3.29Å; D62-T64 WeakPolarHBondContact OD1-CA 3.3Å; D62-T64 VanDerWaalsContact OD1-CB 3.22Å; D62-T64 WeakPolarHBondContact OD1-CB 3.5Å; D62-T64 PolarHBondContact OD1-N 3.5Å; T64-R67 PolarHBondContact O-N 3.27Å; T64-E68 WeakPolarHBondContact O-CB 3.45Å; T64-E68 PolarHBondContact O-N 3.35Å
65A97.7Very high97.5Very high37 Ų3736.6 Ų36.631%0.30619%0.194SC..Hα-helixtrans-60.7-46.3174.400000111.2M61 D62 R67 E68 L69M61-A65 HydrophobicContact CB-CB 4.24Å; D62-A65 PolarHBondContact O-N 2.7Å; D62-A65 PolarHBondContact OD1-N 3.45Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 3.23Å; A65-E68 PolarHBondContact O-N 2.9Å; A65-L69 PolarHBondContact O-N 3.37Å
66H98.3Very high97.5Very high5 Ų536.7 Ų36.72%0.02320%0.195CC..Hα-helixtrans-59.8-42.6173.4-83.1-60.7000112.7P58 M61 D62 E68 L69 F70 V93 Y97 W100P58-H66 PolarHBondContact O-CE1 2.98Å; P58-H66 PolarHBondContact O-NE2 3.42Å; M61-H66 PolarHBondContact O-CD2 3.13Å; D62-H66 PolarHBondContact O-CD2 3.08Å; D62-H66 PolarHBondContact O-N 2.99Å; H66-E68 VanDerWaalsContact C-N 3.28Å; H66-E68 PolarHBondContact O-N 3.43Å; H66-L69 PolarHBondContact O-N 3.02Å; H66-F70 WeakPolarHBondContact O-CB 3.23Å; H66-F70 PolarHBondContact O-N 3.11Å; H66-V93 WeakPolarHBondContact NE2-CG1 3.36Å; H66-Y97 HydrophobicContact CB-CE2 4Å; H66-Y97 AromaticContact CG-CE2 3.91Å; H66-Y97 AromaticContact ND1-CE2 3.49Å; H66-Y97 WeakPolarHBondContact ND1-CE2 3.46Å; H66-Y97 AromaticContact ND1-CZ 3.71Å; H66-Y97 PolarHBondContact ND1-OH 3.46Å; H66-Y97 PolarHBondContact O-OH 2.94Å; H66-W100 HydrophobicContact CB-CH2 3.92Å; H66-W100 HydrophobicContact CB-CZ3 4.01Å
67R98.2Very high97.5Very high73 Ų7336.6 Ų36.628%0.27519%0.194SC..Hα-helixtrans-65.3-34.7178.8-177.456.8165.5170.51.5111.9V63 T64 A65 F70 R71 W100V63-R67 WeakPolarHBondContact O-CB 3.21Å; V63-R67 PolarHBondContact O-N 3.47Å; T64-R67 PolarHBondContact O-N 3.27Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 3.23Å; R67-F70 WeakPolarHBondContact O-CB 3.4Å; R67-R71 PolarHBondContact O-N 2.92Å; R67-W100 HydrophobicContact CB-CH2 3.66Å; R67-W100 HydrophobicContact CB-CZ2 3.8Å; R67-W100 HydrophobicContact CB-CZ3 4.19Å; R67-W100 HydrophobicContact CG-CH2 4.49Å; R67-W100 HydrophobicContact CG-CZ2 4.25Å
68E97.8Very high97.5Very high81 Ų8136.6 Ų36.638%0.37919%0.194SC..Hα-helixtrans-70.6-46.6177.2-172.350.3-147.900111.3T64 A65 H66 F70 R71 Q72T64-E68 WeakPolarHBondContact O-CB 3.45Å; T64-E68 PolarHBondContact O-N 3.35Å; A65-E68 PolarHBondContact O-N 2.9Å; H66-E68 VanDerWaalsContact C-N 3.28Å; H66-E68 PolarHBondContact O-N 3.43Å; E68-F70 VanDerWaalsContact C-N 3.29Å; E68-F70 PolarHBondContact O-N 3.24Å; E68-R71 PolarHBondContact O-N 3.44Å; E68-R71 VanDerWaalsContact O-N 3.13Å; E68-R71 IonicContact OE2-NH1 3.77Å; E68-R71 PolarHBondContact OE2-NH1 3.22Å; E68-Q72 WeakPolarHBondContact O-CG 3.43Å; E68-Q72 PolarHBondContact OE1-NE2 2.88Å
69L98.1Very high97.5Very high8 Ų836.5 Ų36.54%0.04219%0.193CC..Hα-helixtrans-60.9-37.4173.3-72.1173.6000112.3V55 L57 M61 A65 H66 R71 Q72 I73 F271 N280V55-L69 HydrophobicContact CG1-CD2 4.3Å; L57-L69 HydrophobicContact CD2-CB 4.05Å; L57-L69 HydrophobicContact CD2-CD1 3.67Å; L57-L69 HydrophobicContact CD2-CG 4.46Å; M61-L69 HydrophobicContact CE-CD1 4.15Å; M61-L69 HydrophobicContact SD-CD1 3.79Å; A65-L69 PolarHBondContact O-N 3.37Å; H66-L69 PolarHBondContact O-N 3.02Å; L69-R71 PolarHBondContact O-N 3.4Å; L69-Q72 PolarHBondContact O-N 3.18Å; L69-I73 WeakPolarHBondContact O-CG1 3.4Å; L69-I73 PolarHBondContact O-N 3.49Å; L69-F271 HydrophobicContact CD2-CE1 4.16Å; L69-F271 HydrophobicContact CD2-CZ 4.14Å; L69-N280 HydrophobicContact CD2-CB 4.21Å
70F98.4Very high97.5Very high5 Ų535.7 Ų35.72%0.02219%0.19CC..Hα-helixtrans-54-38.4175.1171.4-93.7000112.8H66 R67 E68 Q72 Y97 W100 A101 A104 F111 H269H66-F70 WeakPolarHBondContact O-CB 3.23Å; H66-F70 PolarHBondContact O-N 3.11Å; R67-F70 WeakPolarHBondContact O-CB 3.4Å; E68-F70 VanDerWaalsContact C-N 3.29Å; E68-F70 PolarHBondContact O-N 3.24Å; F70-Q72 PolarHBondContact O-N 3.45Å; F70-Y97 HydrophobicContact CB-CD1 4.38Å; F70-Y97 HydrophobicContact CB-CE1 3.87Å; F70-Y97 AromaticContact CD2-CD1 3.77Å; F70-Y97 HydrophobicContact CD2-CD1 3.77Å; F70-Y97 HydrophobicContact CD2-CE1 4.04Å; F70-Y97 HydrophobicContact CG-CE1 4.45Å; F70-W100 HydrophobicContact CB-CE3 3.82Å; F70-W100 HydrophobicContact CB-CZ3 4.16Å; F70-W100 HydrophobicContact CD1-CB 4.14Å; F70-W100 HydrophobicContact CD1-CE3 4.47Å; F70-W100 HydrophobicContact CD2-CB 4.05Å; F70-W100 HydrophobicContact CD2-CE3 4.1Å; F70-W100 HydrophobicContact CE1-CB 3.87Å; F70-W100 HydrophobicContact CE2-CB 3.75Å; F70-W100 HydrophobicContact CG-CB 4.23Å; F70-W100 AromaticContact CG-CE3 3.85Å; F70-W100 HydrophobicContact CG-CE3 3.85Å; F70-W100 HydrophobicContact CZ-CB 3.67Å; F70-A101 HydrophobicContact CE2-CB 4.3Å; F70-A104 HydrophobicContact CE1-CB 4.5Å; F70-A104 HydrophobicContact CZ-CB 4.07Å; F70-F111 HydrophobicContact CD2-CD2 4.33Å; F70-F111 HydrophobicContact CD2-CE1 4.15Å; F70-F111 AromaticContact CD2-CE2 3.75Å; F70-F111 HydrophobicContact CD2-CE2 3.75Å; F70-F111 AromaticContact CD2-CZ 3.66Å; F70-F111 HydrophobicContact CD2-CZ 3.66Å; F70-F111 AromaticContact CE2-CD1 3.83Å; F70-F111 HydrophobicContact CE2-CD1 3.83Å; F70-F111 AromaticContact CE2-CD2 3.72Å; F70-F111 HydrophobicContact CE2-CD2 3.72Å; F70-F111 AromaticContact CE2-CE1 3.73Å; F70-F111 HydrophobicContact CE2-CE1 3.73Å; F70-F111 AromaticContact CE2-CE2 3.58Å; F70-F111 HydrophobicContact CE2-CE2 3.58Å; F70-F111 AromaticContact CE2-CG 3.83Å; F70-F111 HydrophobicContact CE2-CG 3.83Å; F70-F111 AromaticContact CE2-CZ 3.6Å; F70-F111 HydrophobicContact CE2-CZ 3.6Å; F70-F111 HydrophobicContact CZ-CD2 4.01Å; F70-F111 HydrophobicContact CZ-CE2 4.24Å; F70-F111 HydrophobicContact CZ-CG 4.15Å; F70-H269 PolarHBondContact O-CE1 3.22Å; F70-H269 PolarHBondContact O-ND1 3.32Å
71R97.5Very high97.5Very high122 Ų12233.6 Ų33.646%0.4618%0.178SC..Hα-helixtrans-74.5-14.8178.8-64.5176.4-176.4123.2-2.2113.5R67 E68 L69 H269R67-R71 PolarHBondContact O-N 2.92Å; E68-R71 PolarHBondContact O-N 3.44Å; E68-R71 VanDerWaalsContact O-N 3.13Å; E68-R71 IonicContact OE2-NH1 3.77Å; E68-R71 PolarHBondContact OE2-NH1 3.22Å; L69-R71 PolarHBondContact O-N 3.4Å; R71-H269 WeakPolarHBondContact O-CB 3.44Å
72Q97.4Very high97Very high9 Ų937.6 Ų37.64%0.04219%0.194CC..Hα-helixtrans-106.5-27.6-173.8-62.8174.826.100112.5E68 L69 F70 T270 F271 Q276E68-Q72 WeakPolarHBondContact O-CG 3.43Å; E68-Q72 PolarHBondContact OE1-NE2 2.88Å; L69-Q72 PolarHBondContact O-N 3.18Å; F70-Q72 PolarHBondContact O-N 3.45Å; Q72-T270 CarbonylContact O-C 3.52Å; Q72-T270 WeakPolarHBondContact O-CA 3.08Å; Q72-T270 PolarHBondContact O-N 2.89Å; Q72-F271 HydrophobicContact CB-CD1 4.19Å; Q72-F271 HydrophobicContact CB-CD2 4.12Å; Q72-F271 HydrophobicContact CB-CE1 4.21Å; Q72-F271 HydrophobicContact CB-CE2 4.12Å; Q72-F271 HydrophobicContact CB-CG 4.16Å; Q72-F271 HydrophobicContact CB-CZ 4.17Å; Q72-Q276 VanDerWaalsContact OE1-CD 3.23Å
73I98.1Very high96.5Very high0 Ų034.6 Ų34.60%018%0.179CC..  trans-86.1149.9176.168.7-178.3000112.1F19 V55 L57 L69 Y97 F111 H269 F271F19-I73 HydrophobicContact CB-CG2 4.4Å; F19-I73 CarbonylContact O-C 3.39Å; F19-I73 WeakPolarHBondContact O-CA 3.49Å; F19-I73 WeakPolarHBondContact O-CB 3.47Å; V55-I73 HydrophobicContact CB-CG2 4.15Å; V55-I73 HydrophobicContact CG1-CG2 4.24Å; V55-I73 HydrophobicContact CG2-CG2 4.23Å; L57-I73 HydrophobicContact CD1-CD1 4.14Å; L69-I73 WeakPolarHBondContact O-CG1 3.4Å; L69-I73 PolarHBondContact O-N 3.49Å; I73-Y97 HydrophobicContact CD1-CE1 4.24Å; I73-F111 HydrophobicContact CD1-CE2 4.49Å; I73-F111 HydrophobicContact CD1-CZ 4.03Å; I73-F111 HydrophobicContact CG1-CE2 3.87Å; I73-F111 HydrophobicContact CG1-CZ 3.9Å; I73-F111 WeakPolarHBondContact O-CE2 3.49Å; I73-H269 WeakPolarHBondContact O-CB 3.44Å; I73-H269 PolarHBondContact O-ND1 2.85Å; I73-F271 HydrophobicContact CG2-CE2 4.31Å; I73-F271 HydrophobicContact CG2-CZ 4.49Å
74N98Very high95.9Very high5 Ų534.1 Ų34.13%0.02718%0.177CC..SBendtrans-89.9-6.7-176.3-61.798.4000114.2F19 P112 A264 S267 H269F19-N74 WeakPolarHBondContact CD2-OD1 3.47Å; F19-N74 PolarHBondContact N-OD1 3.43Å; F19-N74 PolarHBondContact O-N 3.23Å; N74-P112 WeakPolarHBondContact O-CD 3.42Å; N74-A264 HydrophobicContact CB-CB 4.01Å; N74-S267 PolarHBondContact ND2-O 3.26Å; N74-S267 VanDerWaalsContact O-CB 3.24Å; N74-S267 WeakPolarHBondContact O-CB 3.46Å; N74-H269 PolarHBondContact ND2-O 3.29Å
75G98.3Very high95.1Very high3 Ų329.5 Ų29.53%0.03115%0.148CC..EExtended strand (participates in β ladder)trans177164.2-178.700000111.5G21 P112G21-G75 PolarHBondContact N-O 3.44Å; G75-P112 WeakPolarHBondContact CA-O 3.27Å
76L98.7Very high94.4Very high1 Ų131.5 Ų31.51%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-117131-179.9-179.369.7000111.3L23 L57 V78 F94 Y97 F111 P112 I113 W114L23-L76 HydrophobicContact CB-CD1 4.33Å; L57-L76 HydrophobicContact CD1-CD1 3.46Å; L57-L76 VanDerWaalsContact CD1-CD1 3.46Å; L76-V78 HydrophobicContact CD2-CG2 3.88Å; L76-V78 HydrophobicContact CG-CG2 3.96Å; L76-F94 HydrophobicContact CD2-CD2 4.12Å; L76-F94 HydrophobicContact CD2-CE2 4.16Å; L76-Y97 HydrophobicContact CD1-CD1 4.25Å; L76-Y97 HydrophobicContact CD1-CE1 4.42Å; L76-Y97 HydrophobicContact CD2-CD1 3.91Å; L76-Y97 HydrophobicContact CD2-CG 3.75Å; L76-F111 HydrophobicContact CB-CE1 3.75Å; L76-F111 HydrophobicContact CB-CZ 4.14Å; L76-P112 PolarHBondContact N-O 3.45Å; L76-I113 HydrophobicContact CB-CG1 4.31Å; L76-I113 CarbonylContact O-C 3.56Å; L76-I113 WeakPolarHBondContact O-CA 3.34Å; L76-W114 PolarHBondContact O-N 3.45Å
77F98.5Very high93.6Very high2 Ų239.1 Ų39.11%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-107.2129.4166.5-169.8-81.4000109.8G21 I22 L23 Y43 M46 L47 P79 W114 L260G21-F77 PolarHBondContact O-N 2.87Å; I22-F77 WeakPolarHBondContact CA-O 3.31Å; I22-F77 HydrophobicContact CG1-CB 4.1Å; I22-F77 HydrophobicContact CG2-CD1 4.05Å; L23-F77 PolarHBondContact N-O 3.35Å; Y43-F77 HydrophobicContact CD1-CD1 4.43Å; Y43-F77 AromaticContact CD1-CE1 3.26Å; Y43-F77 HydrophobicContact CD1-CE1 3.26Å; Y43-F77 AromaticContact CD1-CZ 3.43Å; Y43-F77 HydrophobicContact CD1-CZ 3.43Å; Y43-F77 VanDerWaalsContact CD1-CZ 3.43Å; Y43-F77 AromaticContact CE1-CE1 3.84Å; Y43-F77 HydrophobicContact CE1-CE1 3.84Å; Y43-F77 AromaticContact CE1-CZ 3.94Å; Y43-F77 HydrophobicContact CE1-CZ 3.94Å; Y43-F77 AromaticContact CG-CE1 3.72Å; Y43-F77 HydrophobicContact CG-CE1 3.72Å; Y43-F77 HydrophobicContact CG-CZ 4.28Å; M46-F77 HydrophobicContact CE-CD2 4.43Å; M46-F77 HydrophobicContact CE-CE2 3.34Å; M46-F77 HydrophobicContact CE-CZ 3.55Å; L47-F77 HydrophobicContact CD1-CB 4.13Å; L47-F77 HydrophobicContact CD1-CD2 4.42Å; L47-F77 HydrophobicContact CD1-CG 4.35Å; L47-F77 HydrophobicContact CD2-CD2 4.18Å; F77-P79 HydrophobicContact CD1-CB 4.35Å; F77-P79 HydrophobicContact CE1-CB 4.01Å; F77-W114 CarbonylContact C-O 3.56Å; F77-W114 HydrophobicContact CD2-CB 3.99Å; F77-W114 AromaticContact CD2-CD1 3.42Å; F77-W114 VanDerWaalsContact CD2-CD1 3.42Å; F77-W114 AromaticContact CD2-CG 3.84Å; F77-W114 HydrophobicContact CD2-CG 3.84Å; F77-W114 HydrophobicContact CE2-CB 4.47Å; F77-W114 AromaticContact CE2-CD1 3.07Å; F77-W114 AromaticContact CE2-CG 3.84Å; F77-W114 HydrophobicContact CE2-CG 3.84Å; F77-W114 AromaticContact CE2-NE1 3.47Å; F77-W114 AromaticContact CZ-CD1 3.71Å; F77-W114 AromaticContact CZ-NE1 3.95Å; F77-L260 HydrophobicContact CD2-CD2 3.5Å; F77-L260 VanDerWaalsContact CD2-CD2 3.5Å; F77-L260 HydrophobicContact CE2-CD2 4.1Å
78V98.2Very high93.2Very high0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-115.3110.2177.1-168.20000108L23 L76 F94 I113 W114 G115 T116 G119 L122L23-V78 HydrophobicContact CD2-CG1 4.32Å; L76-V78 HydrophobicContact CD2-CG2 3.88Å; L76-V78 HydrophobicContact CG-CG2 3.96Å; V78-F94 HydrophobicContact CG1-CD2 4.43Å; V78-F94 HydrophobicContact CG2-CD2 3.57Å; V78-F94 HydrophobicContact CG2-CE2 3.55Å; V78-I113 HydrophobicContact CG2-CG2 4.45Å; V78-W114 PolarHBondContact N-O 3.3Å; V78-G115 WeakPolarHBondContact O-CA 3.4Å; V78-T116 PolarHBondContact O-N 2.89Å; V78-G119 VanDerWaalsContact CG1-CA 3.48Å; V78-L122 HydrophobicContact CG1-CD1 3.92Å
79P97.5Very high92.9Very high1 Ų137.8 Ų37.81%0.00619%0.185CC..  trans-76.6175.1-172.532.5-35.8000112.7I22 L23 V25 Y43 F77 T116 G119I22-P79 HydrophobicContact CG2-CG 4.4Å; L23-P79 WeakPolarHBondContact O-CD 3.25Å; L23-P79 WeakPolarHBondContact O-CG 3.37Å; V25-P79 HydrophobicContact CG1-CG 3.77Å; Y43-P79 HydrophobicContact CD1-CB 4.28Å; Y43-P79 HydrophobicContact CD2-CB 3.4Å; Y43-P79 HydrophobicContact CE1-CB 4.19Å; Y43-P79 HydrophobicContact CE2-CB 3.3Å; Y43-P79 HydrophobicContact CG-CB 3.91Å; F77-P79 HydrophobicContact CD1-CB 4.35Å; F77-P79 HydrophobicContact CE1-CB 4.01Å; P79-T116 CarbonylContact C-O 3.58Å; P79-G119 PolarHBondContact O-N 3.42Å; P79-G119 VanDerWaalsContact O-N 3.08Å
80G96.2Very high92.8Very high3 Ų337.4 Ų37.43%0.03118%0.183CC..  trans-68.1171.916300000111.7Y43 T116Y43-G80 WeakPolarHBondContact OH-CA 3.43Å; Y43-G80 PolarHBondContact OH-N 3.49Å; Y43-G80 VanDerWaalsContact OH-N 3.07Å; G80-T116 VanDerWaalsContact CA-O 3.24Å; G80-T116 WeakPolarHBondContact CA-O 3.47Å; G80-T116 PolarHBondContact N-O 3.38Å
81G92.7Very high92.6Very high18 Ų1837.2 Ų37.219%0.18618%0.182CC..  trans-171.3-177179.200000111.6
82F86.5Confident92.4Very high137 Ų13739.7 Ų39.760%0.60119%0.191SC*.SBendtrans-118.816.3-172-48.9-78.5000112.8F297F82-F297 HydrophobicContact CE2-CD1 4.33Å; F82-F297 AromaticContact CE2-CE1 3.47Å; F82-F297 HydrophobicContact CE2-CE1 3.47Å; F82-F297 VanDerWaalsContact CE2-CE1 3.47Å; F82-F297 HydrophobicContact CE2-CZ 4.11Å; F82-F297 AromaticContact CZ-CD1 3.91Å; F82-F297 HydrophobicContact CZ-CD1 3.91Å; F82-F297 AromaticContact CZ-CE1 3.43Å; F82-F297 HydrophobicContact CZ-CE1 3.43Å; F82-F297 VanDerWaalsContact CZ-CE1 3.43Å; F82-F297 HydrophobicContact CZ-CZ 4.47Å
83V85.4Confident92.4Very high36 Ų3640.1 Ų40.122%0.21820%0.195CC..SBendtrans-106.2152.5-174.6-62.60000112.2D26 P85 V90 L118D26-V83 HydrophobicContact CB-CB 4.3Å; D26-V83 HydrophobicContact CB-CG1 3.57Å; D26-V83 HydrophobicContact CB-CG2 4.14Å; V83-P85 WeakPolarHBondContact O-CD 3.43Å; V83-V90 HydrophobicContact CG2-CG1 4.45Å; V83-L118 HydrophobicContact CG2-CD2 3.78Å
84T83.6Confident92.4Very high69 Ų6940.1 Ų40.142%0.42320%0.195SC..  trans-63.1119.8171.9-54.80000109.5L86 E87 S88T84-L86 PolarHBondContact O-N 3.49Å; T84-E87 PolarHBondContact O-N 2.93Å; T84-S88 PolarHBondContact O-N 3.15Å
85P82Confident92.3Very high4 Ų443.5 Ų43.53%0.02621%0.207CC..G310 helixtrans-59.4-46.3-169.1-28.936.5000114.2V83 E87 S88 L91 L118 E121 L122 L125 L134V83-P85 WeakPolarHBondContact O-CD 3.43Å; P85-E87 VanDerWaalsContact C-N 3.29Å; P85-E87 PolarHBondContact O-N 3.22Å; P85-S88 PolarHBondContact O-N 2.95Å; P85-S88 PolarHBondContact O-OG 2.57Å; P85-L91 WeakPolarHBondContact O-CB 3.29Å; P85-L91 WeakPolarHBondContact O-CD2 3.46Å; P85-L118 HydrophobicContact CB-CD1 4.01Å; P85-L118 HydrophobicContact CG-CD1 3.78Å; P85-E121 HydrophobicContact CB-CB 4.46Å; P85-E121 HydrophobicContact CG-CB 4.18Å; P85-E121 WeakPolarHBondContact CG-OE2 3.43Å; P85-L122 HydrophobicContact CB-CD2 4.31Å; P85-L125 HydrophobicContact CB-CD1 3.57Å; P85-L134 HydrophobicContact CB-CD1 4.4Å; P85-L134 HydrophobicContact CG-CD1 4.31Å
86L83.4Confident92.2Very high79 Ų7945.7 Ų45.741%0.41422%0.219SC..G310 helixtrans-64.8-26.7-173.3-81.2167.7000114.5T84 L125 R130T84-L86 PolarHBondContact O-N 3.49Å; L86-L125 HydrophobicContact CD2-CD1 4.07Å; L86-L125 HydrophobicContact CD2-CD2 3.81Å; L86-L125 HydrophobicContact CG-CD1 4.08Å; L86-L125 HydrophobicContact CG-CD2 4.23Å; L86-R130 HydrophobicContact CD2-CB 4.12Å
87E82.1Confident92.2Very high166 Ų16645.7 Ų45.778%0.77622%0.218SC*.G310 helixtrans-105.6-4.4-174.2-62.8-178.3172.200113.1T84 P85T84-E87 PolarHBondContact O-N 2.93Å; P85-E87 VanDerWaalsContact C-N 3.29Å; P85-E87 PolarHBondContact O-N 3.22Å
88S88Confident92.2Very high5 Ų545.8 Ų45.84%0.03522%0.22CC..  trans-72.7148.6-172.668.40000113.7T84 P85 V90 L91T84-S88 PolarHBondContact O-N 3.15Å; P85-S88 PolarHBondContact O-N 2.95Å; P85-S88 PolarHBondContact O-OG 2.57Å; S88-V90 VanDerWaalsContact C-N 3.27Å; S88-V90 VanDerWaalsContact OG-CG1 3.26Å; S88-V90 WeakPolarHBondContact OG-CG1 3.22Å; S88-L91 PolarHBondContact O-N 3.1Å; S88-L91 WeakPolarHBondContact OG-CB 3.34Å; S88-L91 PolarHBondContact OG-N 2.8Å; S88-L91 VanDerWaalsContact OG-N 3.16Å
89K92.2Very high92.2Very high121 Ų12153.1 Ų53.153%0.52625%0.248SC..Hα-helixtrans-66.1-35.6170.1-62.4174.7-176.9174.10110.3D26 L59 L91 R92 V93D26-K89 WeakPolarHBondContact OD1-CB 3.17Å; D26-K89 VanDerWaalsContact OD1-CG 3.3Å; D26-K89 WeakPolarHBondContact OD1-CG 3.47Å; D26-K89 PolarHBondContact OD1-N 3.26Å; D26-K89 PolarHBondContact OD2-N 2.98Å; L59-K89 HydrophobicContact CD1-CB 4.23Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 2.99Å; K89-R92 WeakPolarHBondContact O-CB 3.41Å; K89-R92 PolarHBondContact O-N 2.99Å; K89-V93 PolarHBondContact O-N 2.97Å
90V95.7Very high92.2Very high0 Ų054.7 Ų54.70%025%0.253CS..Hα-helixtrans-57.5-37.1177.767.80000112L23 V25 D26 L59 V83 S88 R92 V93 F94 L118 L122L23-V90 HydrophobicContact CD2-CG2 3.48Å; L23-V90 VanDerWaalsContact CD2-CG2 3.48Å; L23-V90 HydrophobicContact CG-CG2 3.85Å; V25-V90 HydrophobicContact CG1-CG2 4.26Å; D26-V90 WeakPolarHBondContact OD2-CB 3.41Å; D26-V90 WeakPolarHBondContact OD2-CG1 3.2Å; D26-V90 PolarHBondContact OD2-N 2.89Å; L59-V90 HydrophobicContact CD1-CB 4.04Å; L59-V90 HydrophobicContact CD2-CB 4.17Å; L59-V90 HydrophobicContact CD2-CG2 4.25Å; V83-V90 HydrophobicContact CG2-CG1 4.45Å; S88-V90 VanDerWaalsContact C-N 3.27Å; S88-V90 VanDerWaalsContact OG-CG1 3.26Å; S88-V90 WeakPolarHBondContact OG-CG1 3.22Å; V90-R92 VanDerWaalsContact C-N 3.29Å; V90-R92 PolarHBondContact O-N 3.23Å; V90-V93 PolarHBondContact O-N 2.78Å; V90-F94 WeakPolarHBondContact O-CB 3.44Å; V90-F94 PolarHBondContact O-N 3.4Å; V90-L118 HydrophobicContact CG1-CD2 4.12Å; V90-L122 HydrophobicContact CB-CD1 4.49Å; V90-L122 HydrophobicContact CG1-CD1 3.86Å; V90-L122 HydrophobicContact CG2-CD1 3.95Å
91L94.6Very high92.3Very high1 Ų154.6 Ų54.61%0.00525%0.252CS..Hα-helixtrans-59.2-39.5174.5176.161000112.1P85 S88 K89 Y95 L122 L125P85-L91 WeakPolarHBondContact O-CB 3.29Å; P85-L91 WeakPolarHBondContact O-CD2 3.46Å; S88-L91 PolarHBondContact O-N 3.1Å; S88-L91 WeakPolarHBondContact OG-CB 3.34Å; S88-L91 PolarHBondContact OG-N 2.8Å; S88-L91 VanDerWaalsContact OG-N 3.16Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 2.99Å; L91-Y95 VanDerWaalsContact O-CB 3.29Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 3.36Å; L91-L122 HydrophobicContact CB-CD2 3.65Å; L91-L122 HydrophobicContact CD1-CD2 3.66Å; L91-L122 HydrophobicContact CG-CD2 4.18Å; L91-L125 HydrophobicContact CD1-CB 4.45Å
92R93.8Very high92.6Very high173 Ų17355.1 Ų55.165%0.65325%0.252SS*.Hα-helixtrans-67.5-44.6-179.8-58.7-179.1-176.7-169.5-0.4111.4K89 V90 N96K89-R92 WeakPolarHBondContact O-CB 3.41Å; K89-R92 PolarHBondContact O-N 2.99Å; V90-R92 VanDerWaalsContact C-N 3.29Å; V90-R92 PolarHBondContact O-N 3.23Å; R92-N96 PolarHBondContact O-ND2 3.27Å
93V96.7Very high93.2Very high19 Ų1950.1 Ų50.112%0.11524%0.236CC..Hα-helixtrans-67.4-46177.7-179.10000110.2L23 L59 H66 K89 V90 Y95 N96 Y97L23-V93 HydrophobicContact CD1-CB 4.4Å; L23-V93 HydrophobicContact CD1-CG1 3.7Å; L59-V93 HydrophobicContact CD2-CB 4.07Å; L59-V93 HydrophobicContact CD2-CG1 4.44Å; L59-V93 HydrophobicContact CD2-CG2 3.87Å; H66-V93 WeakPolarHBondContact NE2-CG1 3.36Å; K89-V93 PolarHBondContact O-N 2.97Å; V90-V93 PolarHBondContact O-N 2.78Å; V93-Y95 VanDerWaalsContact C-N 3.3Å; V93-Y95 PolarHBondContact O-N 3.1Å; V93-N96 WeakPolarHBondContact O-CB 3.41Å; V93-N96 PolarHBondContact O-N 2.93Å; V93-N96 VanDerWaalsContact O-N 3.13Å; V93-Y97 HydrophobicContact CG1-CD2 4.04Å; V93-Y97 HydrophobicContact CG1-CE2 3.91Å; V93-Y97 WeakPolarHBondContact O-CD2 3.45Å; V93-Y97 PolarHBondContact O-N 3.44Å
94F97.4Very high93.8Very high0 Ų048.8 Ų48.80%023%0.228CC..Hα-helixtrans-58.7-40.7177.3177.9-111.6000112.4L23 L76 V78 V90 N96 Y97 A98 I113 L122 L123 S126L23-F94 HydrophobicContact CD2-CB 3.9Å; L23-F94 HydrophobicContact CD2-CD2 4.47Å; L76-F94 HydrophobicContact CD2-CD2 4.12Å; L76-F94 HydrophobicContact CD2-CE2 4.16Å; V78-F94 HydrophobicContact CG1-CD2 4.43Å; V78-F94 HydrophobicContact CG2-CD2 3.57Å; V78-F94 HydrophobicContact CG2-CE2 3.55Å; V90-F94 WeakPolarHBondContact O-CB 3.44Å; V90-F94 PolarHBondContact O-N 3.4Å; F94-N96 PolarHBondContact O-N 2.9Å; F94-Y97 CarbonylContact O-C 3.15Å; F94-Y97 PolarHBondContact O-N 2.94Å; F94-Y97 VanDerWaalsContact O-N 3.08Å; F94-A98 HydrophobicContact CE1-CB 4.25Å; F94-A98 HydrophobicContact CZ-CB 4.16Å; F94-A98 WeakPolarHBondContact O-CB 3.38Å; F94-A98 PolarHBondContact O-N 3.43Å; F94-I113 HydrophobicContact CE2-CD1 4.41Å; F94-I113 HydrophobicContact CE2-CG2 3.96Å; F94-I113 HydrophobicContact CZ-CG2 4.31Å; F94-L122 HydrophobicContact CB-CD1 4.36Å; F94-L122 HydrophobicContact CD1-CB 3.63Å; F94-L122 VanDerWaalsContact CE1-C 3.48Å; F94-L122 HydrophobicContact CE1-CB 3.93Å; F94-L122 VanDerWaalsContact CE1-O 3.3Å; F94-L122 WeakPolarHBondContact CE1-O 3.27Å; F94-L122 HydrophobicContact CG-CB 4.28Å; F94-L122 HydrophobicContact CG-CD1 4.49Å; F94-L123 HydrophobicContact CE1-CD2 4.46Å; F94-L123 HydrophobicContact CE1-CG 4.4Å; F94-L123 HydrophobicContact CZ-CD2 3.74Å; F94-L123 HydrophobicContact CZ-CG 3.84Å; F94-S126 VanDerWaalsContact CD1-OG 3.29Å; F94-S126 WeakPolarHBondContact CD1-OG 3.25Å; F94-S126 VanDerWaalsContact CE1-OG 3.25Å; F94-S126 WeakPolarHBondContact CE1-OG 3.37Å
95Y96Very high94.6Very high75 Ų7546.5 Ų46.529%0.29421%0.213SC..Hα-helixtrans-58.2-37.2177.9-172.2-102.7000112.5L91 V93 R99L91-Y95 VanDerWaalsContact O-CB 3.29Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 3.36Å; V93-Y95 VanDerWaalsContact C-N 3.3Å; V93-Y95 PolarHBondContact O-N 3.1Å; Y95-R99 HydrophobicContact CE1-CG 4.21Å; Y95-R99 WeakPolarHBondContact O-CG 3.46Å; Y95-R99 PolarHBondContact O-N 3.02Å; Y95-R99 VanDerWaalsContact O-N 3.1Å
96N97.4Very high95.3Very high50 Ų5051.4 Ų51.427%0.26724%0.236SC..Hα-helixtrans-64.3-49.8173.5-69.8-39.5000111.2R92 V93 F94 A98 R99 W100R92-N96 PolarHBondContact O-ND2 3.27Å; V93-N96 WeakPolarHBondContact O-CB 3.41Å; V93-N96 PolarHBondContact O-N 2.93Å; V93-N96 VanDerWaalsContact O-N 3.13Å; F94-N96 PolarHBondContact O-N 2.9Å; N96-A98 PolarHBondContact O-N 3.47Å; N96-R99 PolarHBondContact O-N 3.17Å; N96-W100 HydrophobicContact CB-CD2 4.42Å; N96-W100 HydrophobicContact CB-CH2 3.93Å; N96-W100 HydrophobicContact CB-CZ2 3.76Å; N96-W100 HydrophobicContact CB-CZ3 4.33Å; N96-W100 WeakPolarHBondContact O-CB 3.4Å; N96-W100 PolarHBondContact O-N 2.88Å
97Y98.5Very high96Very high0 Ų055.3 Ų55.30%025%0.252CS..Hα-helixtrans-59.5-43177-84.2-84.4000113L57 H66 F70 I73 L76 V93 F94 R99 W100 A101L57-Y97 HydrophobicContact CD1-CE1 4.12Å; L57-Y97 HydrophobicContact CD1-CE2 4.36Å; H66-Y97 HydrophobicContact CB-CE2 4Å; H66-Y97 AromaticContact CG-CE2 3.91Å; H66-Y97 AromaticContact ND1-CE2 3.49Å; H66-Y97 WeakPolarHBondContact ND1-CE2 3.46Å; H66-Y97 AromaticContact ND1-CZ 3.71Å; H66-Y97 PolarHBondContact ND1-OH 3.46Å; H66-Y97 PolarHBondContact O-OH 2.94Å; F70-Y97 HydrophobicContact CB-CD1 4.38Å; F70-Y97 HydrophobicContact CB-CE1 3.87Å; F70-Y97 AromaticContact CD2-CD1 3.77Å; F70-Y97 HydrophobicContact CD2-CD1 3.77Å; F70-Y97 HydrophobicContact CD2-CE1 4.04Å; F70-Y97 HydrophobicContact CG-CE1 4.45Å; I73-Y97 HydrophobicContact CD1-CE1 4.24Å; L76-Y97 HydrophobicContact CD1-CD1 4.25Å; L76-Y97 HydrophobicContact CD1-CE1 4.42Å; L76-Y97 HydrophobicContact CD2-CD1 3.91Å; L76-Y97 HydrophobicContact CD2-CG 3.75Å; V93-Y97 HydrophobicContact CG1-CD2 4.04Å; V93-Y97 HydrophobicContact CG1-CE2 3.91Å; V93-Y97 WeakPolarHBondContact O-CD2 3.45Å; V93-Y97 PolarHBondContact O-N 3.44Å; F94-Y97 CarbonylContact O-C 3.15Å; F94-Y97 PolarHBondContact O-N 2.94Å; F94-Y97 VanDerWaalsContact O-N 3.08Å; Y97-R99 PolarHBondContact O-N 3.4Å; Y97-W100 HydrophobicContact CD1-CE3 4.08Å; Y97-W100 HydrophobicContact CD1-CZ3 4.31Å; Y97-W100 HydrophobicContact CD2-CZ3 4.22Å; Y97-W100 HydrophobicContact CE1-CE3 4.35Å; Y97-W100 HydrophobicContact CE1-CZ3 4.24Å; Y97-W100 HydrophobicContact CE2-CZ3 4.16Å; Y97-W100 HydrophobicContact CG-CE3 4.17Å; Y97-W100 HydrophobicContact CG-CZ3 4.29Å; Y97-W100 PolarHBondContact O-N 2.94Å; Y97-A101 WeakPolarHBondContact O-CB 3.28Å; Y97-A101 PolarHBondContact O-N 3.43Å
98A98.2Very high96.8Very high5 Ų550.8 Ų50.84%0.04125%0.25CS..Hα-helixtrans-59.9-47.2177.600000111F94 N96 W100 A101 V102 F127F94-A98 HydrophobicContact CE1-CB 4.25Å; F94-A98 HydrophobicContact CZ-CB 4.16Å; F94-A98 WeakPolarHBondContact O-CB 3.38Å; F94-A98 PolarHBondContact O-N 3.43Å; N96-A98 PolarHBondContact O-N 3.47Å; A98-W100 VanDerWaalsContact C-N 3.35Å; A98-W100 PolarHBondContact O-N 3.25Å; A98-A101 PolarHBondContact O-N 3.31Å; A98-V102 VanDerWaalsContact O-CG2 3.3Å; A98-V102 WeakPolarHBondContact O-CG2 3.36Å; A98-V102 PolarHBondContact O-N 3.01Å; A98-F127 HydrophobicContact CB-CE2 4.45Å
99R97.9Very high97.3Very high154 Ų15453.1 Ų53.158%0.58126%0.262SS*.Hα-helixtrans-61.6-42175.6-75.818059.4-177.30.8112.6Y95 N96 Y97 V102 A103Y95-R99 HydrophobicContact CE1-CG 4.21Å; Y95-R99 WeakPolarHBondContact O-CG 3.46Å; Y95-R99 PolarHBondContact O-N 3.02Å; Y95-R99 VanDerWaalsContact O-N 3.1Å; N96-R99 PolarHBondContact O-N 3.17Å; Y97-R99 PolarHBondContact O-N 3.4Å; R99-V102 PolarHBondContact O-N 2.78Å; R99-A103 WeakPolarHBondContact O-CB 3.45Å; R99-A103 PolarHBondContact O-N 3.37Å
100W98.6Very high97.5Very high34 Ų3449.2 Ų49.213%0.12924%0.244CC..Hα-helixtrans-64.4-44.6178.2-66.3-16.9000112.3V63 H66 R67 F70 N96 Y97 A98 A103 A104V63-W100 HydrophobicContact CG2-CH2 4.02Å; V63-W100 HydrophobicContact CG2-CZ2 3.77Å; H66-W100 HydrophobicContact CB-CH2 3.92Å; H66-W100 HydrophobicContact CB-CZ3 4.01Å; R67-W100 HydrophobicContact CB-CH2 3.66Å; R67-W100 HydrophobicContact CB-CZ2 3.8Å; R67-W100 HydrophobicContact CB-CZ3 4.19Å; R67-W100 HydrophobicContact CG-CH2 4.49Å; R67-W100 HydrophobicContact CG-CZ2 4.25Å; F70-W100 HydrophobicContact CB-CE3 3.82Å; F70-W100 HydrophobicContact CB-CZ3 4.16Å; F70-W100 HydrophobicContact CD1-CB 4.14Å; F70-W100 HydrophobicContact CD1-CE3 4.47Å; F70-W100 HydrophobicContact CD2-CB 4.05Å; F70-W100 HydrophobicContact CD2-CE3 4.1Å; F70-W100 HydrophobicContact CE1-CB 3.87Å; F70-W100 HydrophobicContact CE2-CB 3.75Å; F70-W100 HydrophobicContact CG-CB 4.23Å; F70-W100 AromaticContact CG-CE3 3.85Å; F70-W100 HydrophobicContact CG-CE3 3.85Å; F70-W100 HydrophobicContact CZ-CB 3.67Å; N96-W100 HydrophobicContact CB-CD2 4.42Å; N96-W100 HydrophobicContact CB-CH2 3.93Å; N96-W100 HydrophobicContact CB-CZ2 3.76Å; N96-W100 HydrophobicContact CB-CZ3 4.33Å; N96-W100 WeakPolarHBondContact O-CB 3.4Å; N96-W100 PolarHBondContact O-N 2.88Å; Y97-W100 HydrophobicContact CD1-CE3 4.08Å; Y97-W100 HydrophobicContact CD1-CZ3 4.31Å; Y97-W100 HydrophobicContact CD2-CZ3 4.22Å; Y97-W100 HydrophobicContact CE1-CE3 4.35Å; Y97-W100 HydrophobicContact CE1-CZ3 4.24Å; Y97-W100 HydrophobicContact CE2-CZ3 4.16Å; Y97-W100 HydrophobicContact CG-CE3 4.17Å; Y97-W100 HydrophobicContact CG-CZ3 4.29Å; Y97-W100 PolarHBondContact O-N 2.94Å; A98-W100 VanDerWaalsContact C-N 3.35Å; A98-W100 PolarHBondContact O-N 3.25Å; W100-A103 PolarHBondContact O-N 3.44Å; W100-A104 WeakPolarHBondContact O-CB 3.44Å; W100-A104 PolarHBondContact O-N 3.01Å
101A98.7Very high97.7Very high0 Ų049.2 Ų49.20%024%0.244CC..Hα-helixtrans-66-40.8177.300000111.6F70 Y97 A98 A104 N105 F111 I113 F223F70-A101 HydrophobicContact CE2-CB 4.3Å; Y97-A101 WeakPolarHBondContact O-CB 3.28Å; Y97-A101 PolarHBondContact O-N 3.43Å; A98-A101 PolarHBondContact O-N 3.31Å; A101-A104 PolarHBondContact O-N 2.81Å; A101-N105 WeakPolarHBondContact O-CB 3.35Å; A101-N105 PolarHBondContact O-N 3.15Å; A101-N105 PolarHBondContact O-ND2 3.3Å; A101-F111 HydrophobicContact CB-CD1 3.73Å; A101-F111 HydrophobicContact CB-CE1 4.4Å; A101-F111 HydrophobicContact CB-CG 4.42Å; A101-I113 HydrophobicContact CB-CD1 3.59Å; A101-I113 HydrophobicContact CB-CG1 4.07Å; A101-F223 HydrophobicContact CB-CE1 3.83Å; A101-F223 HydrophobicContact CB-CZ 3.8Å
102V98.6Very high97.9Very high30 Ų3049.2 Ų49.218%0.18224%0.244CC..Hα-helixtrans-58.4-50.1173.3167.90000110.4A98 R99 A104 N105 Q106 F127 F221 F223A98-V102 VanDerWaalsContact O-CG2 3.3Å; A98-V102 WeakPolarHBondContact O-CG2 3.36Å; A98-V102 PolarHBondContact O-N 3.01Å; R99-V102 PolarHBondContact O-N 2.78Å; V102-A104 PolarHBondContact O-N 2.98Å; V102-N105 PolarHBondContact O-N 3.3Å; V102-Q106 HydrophobicContact CG1-CG 4.39Å; V102-Q106 WeakPolarHBondContact O-CB 3.35Å; V102-Q106 VanDerWaalsContact O-CG 3.25Å; V102-Q106 WeakPolarHBondContact O-CG 3.18Å; V102-Q106 PolarHBondContact O-N 2.64Å; V102-F127 HydrophobicContact CG2-CE1 4.09Å; V102-F127 HydrophobicContact CG2-CZ 3.87Å; V102-F221 HydrophobicContact CB-CE2 4.48Å; V102-F221 HydrophobicContact CG1-CE2 4Å; V102-F221 HydrophobicContact CG1-CZ 4.2Å; V102-F221 HydrophobicContact CG2-CD2 4.25Å; V102-F221 HydrophobicContact CG2-CE2 4.13Å; V102-F223 HydrophobicContact CG2-CE2 3.74Å; V102-F223 HydrophobicContact CG2-CZ 4.09Å
103A98.6Very high98.1Very high32 Ų3241 Ų4126%0.26421%0.213SC..Hα-helixtrans-61.8-43-179.900000112.4R99 W100 Q106 Q107R99-A103 WeakPolarHBondContact O-CB 3.45Å; R99-A103 PolarHBondContact O-N 3.37Å; W100-A103 PolarHBondContact O-N 3.44Å; A103-Q106 PolarHBondContact O-N 3.03Å; A103-Q107 VanDerWaalsContact O-CG 3.31Å; A103-Q107 WeakPolarHBondContact O-CG 3.32Å; A103-Q107 PolarHBondContact O-N 3.24Å; A103-Q107 PolarHBondContact O-NE2 2.93Å
104A98.7Very high98.2Very high7 Ų740.2 Ų40.26%0.05821%0.208CC..Hα-helixtrans-60.1-53176.400000111F70 W100 A101 V102 Q106 Q107 G108 D109F70-A104 HydrophobicContact CE1-CB 4.5Å; F70-A104 HydrophobicContact CZ-CB 4.07Å; W100-A104 WeakPolarHBondContact O-CB 3.44Å; W100-A104 PolarHBondContact O-N 3.01Å; A101-A104 PolarHBondContact O-N 2.81Å; V102-A104 PolarHBondContact O-N 2.98Å; A104-Q106 VanDerWaalsContact C-N 3.29Å; A104-Q106 PolarHBondContact O-N 3.49Å; A104-Q107 CarbonylContact O-C 3.57Å; A104-Q107 WeakPolarHBondContact O-CA 3.5Å; A104-Q107 PolarHBondContact O-N 3.21Å; A104-G108 PolarHBondContact O-N 2.97Å; A104-D109 CarbonylContact C-O 3.56Å; A104-D109 HydrophobicContact CB-CB 4Å; A104-D109 WeakPolarHBondContact CB-O 3.34Å; A104-D109 WeakPolarHBondContact O-CA 3.37Å; A104-D109 WeakPolarHBondContact O-CB 3.4Å; A104-D109 PolarHBondContact O-N 3.46Å
105N98.7Very high98.2Very high21 Ų2140.2 Ų40.211%0.11221%0.208CC..Hα-helixtrans-64.7-32.4-178.5-76.6-81.4000112.6A101 V102 Q107 G108 D109 F111 F221 P222A101-N105 WeakPolarHBondContact O-CB 3.35Å; A101-N105 PolarHBondContact O-N 3.15Å; A101-N105 PolarHBondContact O-ND2 3.3Å; V102-N105 PolarHBondContact O-N 3.3Å; N105-Q107 PolarHBondContact O-N 2.78Å; N105-G108 PolarHBondContact O-N 3.5Å; N105-D109 WeakPolarHBondContact CA-O 3.4Å; N105-D109 PolarHBondContact N-O 2.77Å; N105-D109 VanDerWaalsContact N-O 3.14Å; N105-F111 PolarHBondContact ND2-O 2.88Å; N105-F111 PolarHBondContact OD1-N 3.3Å; N105-F221 HydrophobicContact CB-CD1 3.44Å; N105-F221 VanDerWaalsContact CB-CD1 3.44Å; N105-F221 HydrophobicContact CB-CE1 3.8Å; N105-F221 HydrophobicContact CB-CG 4.28Å; N105-P222 VanDerWaalsContact OD1-CD 3.23Å; N105-P222 WeakPolarHBondContact OD1-CD 3.48Å; N105-P222 WeakPolarHBondContact OD1-CG 3.26Å
106Q98.3Very high98.4Very high107 Ų10736.6 Ų36.650%0.519%0.194SC..Hα-helixtrans-63.6-30.2172.9-76.6175.3-15.800112.8V102 A103 A104 G108 F221V102-Q106 HydrophobicContact CG1-CG 4.39Å; V102-Q106 WeakPolarHBondContact O-CB 3.35Å; V102-Q106 VanDerWaalsContact O-CG 3.25Å; V102-Q106 WeakPolarHBondContact O-CG 3.18Å; V102-Q106 PolarHBondContact O-N 2.64Å; A103-Q106 PolarHBondContact O-N 3.03Å; A104-Q106 VanDerWaalsContact C-N 3.29Å; A104-Q106 PolarHBondContact O-N 3.49Å; Q106-G108 VanDerWaalsContact C-N 3.33Å; Q106-F221 HydrophobicContact CG-CE1 4.04Å; Q106-F221 HydrophobicContact CG-CZ 3.74Å
107Q97.9Very high98.4Very high162 Ų16234.4 Ų34.476%0.75718%0.183SC*.THydrogen-bonded Turntrans-90.84.9178.8-64.6169.731.700112.9A103 A104 N105 D109A103-Q107 VanDerWaalsContact O-CG 3.31Å; A103-Q107 WeakPolarHBondContact O-CG 3.32Å; A103-Q107 PolarHBondContact O-N 3.24Å; A103-Q107 PolarHBondContact O-NE2 2.93Å; A104-Q107 CarbonylContact O-C 3.57Å; A104-Q107 WeakPolarHBondContact O-CA 3.5Å; A104-Q107 PolarHBondContact O-N 3.21Å; N105-Q107 PolarHBondContact O-N 2.78Å; Q107-D109 VanDerWaalsContact C-N 3.32Å
108G97.8Very high98.3Very high71 Ų7134.5 Ų34.573%0.73218%0.183SC*.THydrogen-bonded Turntrans81.59.2-177.500000114.4A104 N105 Q106 Y110A104-G108 PolarHBondContact O-N 2.97Å; N105-G108 PolarHBondContact O-N 3.5Å; Q106-G108 VanDerWaalsContact C-N 3.33Å; G108-Y110 PolarHBondContact O-N 3.35Å
109D98.1Very high98.3Very high54 Ų5434.3 Ų34.329%0.28918%0.181SC..  trans-90.698.5172.7-176.223.4000109.7A104 N105 Q107 F111 H269A104-D109 CarbonylContact C-O 3.56Å; A104-D109 HydrophobicContact CB-CB 4Å; A104-D109 WeakPolarHBondContact CB-O 3.34Å; A104-D109 WeakPolarHBondContact O-CA 3.37Å; A104-D109 WeakPolarHBondContact O-CB 3.4Å; A104-D109 PolarHBondContact O-N 3.46Å; N105-D109 WeakPolarHBondContact CA-O 3.4Å; N105-D109 PolarHBondContact N-O 2.77Å; N105-D109 VanDerWaalsContact N-O 3.14Å; Q107-D109 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 2.95Å; D109-H269 IonicContact OD1-CD2 3.78Å; D109-H269 IonicContact OD1-NE2 3.49Å; D109-H269 PolarHBondContact OD1-NE2 3.46Å; D109-H269 IonicContact OD2-CD2 2.97Å; D109-H269 IonicContact OD2-CE1 3.48Å; D109-H269 IonicContact OD2-NE2 3.93Å; D109-H269 PolarHBondContact OD2-NE2 2.79Å
110Y98.1Very high98.3Very high39 Ų3927.1 Ų27.115%0.15315%0.154CC..  trans-70.2123.4-169.7-164.3-84.3000111.1G108 P222 E263 R266 S267G108-Y110 PolarHBondContact O-N 3.35Å; Y110-P222 HydrophobicContact CD1-CG 4.13Å; Y110-P222 HydrophobicContact CD2-CG 4.38Å; Y110-P222 HydrophobicContact CE1-CB 3.72Å; Y110-P222 HydrophobicContact CE1-CG 3.63Å; Y110-P222 HydrophobicContact CE2-CB 4.16Å; Y110-P222 HydrophobicContact CE2-CG 3.92Å; Y110-P222 VanDerWaalsContact CZ-CB 3.43Å; Y110-P222 VanDerWaalsContact OH-CB 3.24Å; Y110-P222 WeakPolarHBondContact OH-CB 3.46Å; Y110-E263 WeakPolarHBondContact CE1-O 3.47Å; Y110-E263 VanDerWaalsContact OH-CD 3.27Å; Y110-E263 PolarHBondContact OH-OE1 3.4Å; Y110-E263 PolarHBondContact OH-OE2 3.01Å; Y110-R266 HydrophobicContact CD1-CB 3.53Å; Y110-R266 HydrophobicContact CE1-CB 3.72Å; Y110-R266 HydrophobicContact CE1-CG 4.41Å; Y110-R266 VanDerWaalsContact CE2-CZ 3.42Å; Y110-R266 HydrophobicContact CG-CB 3.96Å; Y110-R266 VanDerWaalsContact CZ-CZ 3.46Å; Y110-R266 VanDerWaalsContact OH-CZ 3.26Å; Y110-R266 PolarHBondContact OH-NH1 3.4Å; Y110-S267 VanDerWaalsContact O-CA 3.25Å; Y110-S267 WeakPolarHBondContact O-CA 3.37Å; Y110-S267 WeakPolarHBondContact O-CB 3.5Å; Y110-S267 PolarHBondContact O-OG 3.19Å; Y110-S267 VanDerWaalsContact O-OG 3.12Å
111F98.4Very high98.3Very high0 Ų026 Ų260%015%0.15CC..  trans-143.7108.4179.6-168.4-79.4000110.9F70 I73 L76 A101 N105 D109 I113 F223 H269F70-F111 HydrophobicContact CD2-CD2 4.33Å; F70-F111 HydrophobicContact CD2-CE1 4.15Å; F70-F111 AromaticContact CD2-CE2 3.75Å; F70-F111 HydrophobicContact CD2-CE2 3.75Å; F70-F111 AromaticContact CD2-CZ 3.66Å; F70-F111 HydrophobicContact CD2-CZ 3.66Å; F70-F111 AromaticContact CE2-CD1 3.83Å; F70-F111 HydrophobicContact CE2-CD1 3.83Å; F70-F111 AromaticContact CE2-CD2 3.72Å; F70-F111 HydrophobicContact CE2-CD2 3.72Å; F70-F111 AromaticContact CE2-CE1 3.73Å; F70-F111 HydrophobicContact CE2-CE1 3.73Å; F70-F111 AromaticContact CE2-CE2 3.58Å; F70-F111 HydrophobicContact CE2-CE2 3.58Å; F70-F111 AromaticContact CE2-CG 3.83Å; F70-F111 HydrophobicContact CE2-CG 3.83Å; F70-F111 AromaticContact CE2-CZ 3.6Å; F70-F111 HydrophobicContact CE2-CZ 3.6Å; F70-F111 HydrophobicContact CZ-CD2 4.01Å; F70-F111 HydrophobicContact CZ-CE2 4.24Å; F70-F111 HydrophobicContact CZ-CG 4.15Å; I73-F111 HydrophobicContact CD1-CE2 4.49Å; I73-F111 HydrophobicContact CD1-CZ 4.03Å; I73-F111 HydrophobicContact CG1-CE2 3.87Å; I73-F111 HydrophobicContact CG1-CZ 3.9Å; I73-F111 WeakPolarHBondContact O-CE2 3.49Å; L76-F111 HydrophobicContact CB-CE1 3.75Å; L76-F111 HydrophobicContact CB-CZ 4.14Å; A101-F111 HydrophobicContact CB-CD1 3.73Å; A101-F111 HydrophobicContact CB-CE1 4.4Å; A101-F111 HydrophobicContact CB-CG 4.42Å; N105-F111 PolarHBondContact ND2-O 2.88Å; N105-F111 PolarHBondContact OD1-N 3.3Å; D109-F111 PolarHBondContact O-N 2.95Å; F111-I113 HydrophobicContact CD1-CG1 4.4Å; F111-I113 HydrophobicContact CE1-CG1 4.4Å; F111-F223 WeakPolarHBondContact O-CE1 3.27Å; F111-H269 AromaticContact CD2-CE1 3.63Å; F111-H269 AromaticContact CD2-ND1 3.66Å; F111-H269 AromaticContact CE2-ND1 3.82Å
112P98.5Very high98.2Very high0 Ų026 Ų260%015%0.15CC..  trans-79.1149.1178.132.8-35.1000113.6N74 G75 L76 P222 E263 A264N74-P112 WeakPolarHBondContact O-CD 3.42Å; G75-P112 WeakPolarHBondContact CA-O 3.27Å; L76-P112 PolarHBondContact N-O 3.45Å; P112-P222 WeakPolarHBondContact CA-O 3.22Å; P112-P222 HydrophobicContact CB-CB 4.08Å; P112-P222 HydrophobicContact CB-CG 4.27Å; P112-P222 WeakPolarHBondContact CB-O 3.09Å; P112-E263 HydrophobicContact CB-CB 3.93Å; P112-E263 HydrophobicContact CG-CB 4.12Å; P112-A264 HydrophobicContact CG-CB 4.32Å
113I98.8Very high98.1Very high0 Ų024.5 Ų24.50%014%0.142CC..EExtended strand (participates in β ladder)trans-122.9135.3169.1-62.5-179.7000108.4L76 V78 F94 A101 F111 L123 P222 F223 Y224L76-I113 HydrophobicContact CB-CG1 4.31Å; L76-I113 CarbonylContact O-C 3.56Å; L76-I113 WeakPolarHBondContact O-CA 3.34Å; V78-I113 HydrophobicContact CG2-CG2 4.45Å; F94-I113 HydrophobicContact CE2-CD1 4.41Å; F94-I113 HydrophobicContact CE2-CG2 3.96Å; F94-I113 HydrophobicContact CZ-CG2 4.31Å; A101-I113 HydrophobicContact CB-CD1 3.59Å; A101-I113 HydrophobicContact CB-CG1 4.07Å; F111-I113 HydrophobicContact CD1-CG1 4.4Å; F111-I113 HydrophobicContact CE1-CG1 4.4Å; I113-L123 HydrophobicContact CG2-CD2 4.15Å; I113-P222 PolarHBondContact N-O 3.09Å; I113-F223 HydrophobicContact CB-CB 4.34Å; I113-F223 HydrophobicContact CB-CD1 3.65Å; I113-F223 HydrophobicContact CB-CE1 4.29Å; I113-F223 HydrophobicContact CB-CG 4.17Å; I113-F223 HydrophobicContact CD1-CD1 4.03Å; I113-F223 HydrophobicContact CD1-CE1 3.91Å; I113-F223 HydrophobicContact CD1-CZ 4.28Å; I113-F223 HydrophobicContact CG1-CD1 3.75Å; I113-F223 HydrophobicContact CG1-CE1 3.85Å; I113-F223 CarbonylContact O-C 3.6Å; I113-F223 WeakPolarHBondContact O-CA 3.3Å; I113-Y224 PolarHBondContact O-N 3.29Å
114W98.7Very high98Very high3 Ų323 Ų231%0.01113%0.129CC..EExtended strand (participates in β ladder)trans-119.4132.5169.5-176.3-79.7000110.4L76 F77 V78 T116 M157 Y224 I226 L256 L259 L260L76-W114 PolarHBondContact O-N 3.45Å; F77-W114 CarbonylContact C-O 3.56Å; F77-W114 HydrophobicContact CD2-CB 3.99Å; F77-W114 AromaticContact CD2-CD1 3.42Å; F77-W114 VanDerWaalsContact CD2-CD1 3.42Å; F77-W114 AromaticContact CD2-CG 3.84Å; F77-W114 HydrophobicContact CD2-CG 3.84Å; F77-W114 HydrophobicContact CE2-CB 4.47Å; F77-W114 AromaticContact CE2-CD1 3.07Å; F77-W114 AromaticContact CE2-CG 3.84Å; F77-W114 HydrophobicContact CE2-CG 3.84Å; F77-W114 AromaticContact CE2-NE1 3.47Å; F77-W114 AromaticContact CZ-CD1 3.71Å; F77-W114 AromaticContact CZ-NE1 3.95Å; V78-W114 PolarHBondContact N-O 3.3Å; W114-T116 PolarHBondContact NE1-OG1 3.05Å; W114-M157 HydrophobicContact CH2-CE 4.03Å; W114-M157 HydrophobicContact CH2-SD 4.24Å; W114-M157 HydrophobicContact CZ3-CE 3.89Å; W114-Y224 CarbonylContact C-O 3.54Å; W114-Y224 WeakPolarHBondContact CA-O 3.35Å; W114-Y224 HydrophobicContact CE3-CD2 4.36Å; W114-Y224 HydrophobicContact CE3-CG 4.17Å; W114-Y224 HydrophobicContact CZ3-CG 4.29Å; W114-I226 HydrophobicContact CH2-CG2 4.48Å; W114-I226 HydrophobicContact CZ2-CD1 3.61Å; W114-I226 HydrophobicContact CZ2-CG1 3.8Å; W114-I226 HydrophobicContact CZ2-CG2 4.29Å; W114-L256 HydrophobicContact CH2-CB 4Å; W114-L256 HydrophobicContact CH2-CD1 4.14Å; W114-L256 HydrophobicContact CH2-CD2 4.05Å; W114-L256 HydrophobicContact CH2-CG 4.27Å; W114-L256 HydrophobicContact CZ2-CB 4.34Å; W114-L256 HydrophobicContact CZ2-CD1 4.3Å; W114-L259 HydrophobicContact CZ3-CD2 4.17Å; W114-L260 HydrophobicContact CB-CD1 3.76Å; W114-L260 HydrophobicContact CB-CD2 4.02Å; W114-L260 HydrophobicContact CD2-CD2 4.49Å; W114-L260 HydrophobicContact CE3-CB 4.49Å; W114-L260 HydrophobicContact CE3-CD1 4.5Å; W114-L260 HydrophobicContact CG-CD1 4.46Å; W114-L260 HydrophobicContact CG-CD2 4.14Å
115G98.6Very high97.9Very high0 Ų022.8 Ų22.80%013%0.127CC..EExtended strand (participates in β ladder)trans-121.2129.7173.400000112.4V78 G119 Y224 G225 I226V78-G115 WeakPolarHBondContact O-CA 3.4Å; G115-G119 VanDerWaalsContact CA-C 3.48Å; G115-Y224 PolarHBondContact N-O 3.24Å; G115-G225 CarbonylContact O-C 3.43Å; G115-G225 WeakPolarHBondContact O-CA 3.5Å; G115-I226 PolarHBondContact O-N 2.88Å
116T98.7Very high97.7Very high0 Ų022.6 Ų22.60%013%0.127CC..EExtended strand (participates in β ladder)trans-116.5129.3173.3-73.80000110.3Y43 V78 P79 G80 W114 L118 G119 I226 W228Y43-T116 HydrophobicContact CE1-CG2 3.96Å; V78-T116 PolarHBondContact O-N 2.89Å; P79-T116 CarbonylContact C-O 3.58Å; G80-T116 VanDerWaalsContact CA-O 3.24Å; G80-T116 WeakPolarHBondContact CA-O 3.47Å; G80-T116 PolarHBondContact N-O 3.38Å; W114-T116 PolarHBondContact NE1-OG1 3.05Å; T116-L118 PolarHBondContact O-N 3.12Å; T116-G119 PolarHBondContact O-N 2.99Å; T116-I226 CarbonylContact C-O 3.57Å; T116-I226 WeakPolarHBondContact CA-O 3.16Å; T116-W228 WeakPolarHBondContact CG2-O 3.5Å
117C98Very high97.6Very high4 Ų419.5 Ų19.53%0.02711%0.112CC..THydrogen-bonded Turntrans50.3-104.2180-179.50000111.8G119 F120 E121 I226 H229C117-G119 PolarHBondContact O-N 3.31Å; C117-F120 WeakPolarHBondContact O-CA 3.48Å; C117-F120 VanDerWaalsContact O-CB 3.26Å; C117-F120 WeakPolarHBondContact O-CB 3.5Å; C117-F120 PolarHBondContact O-N 3.42Å; C117-E121 WeakPolarHBondContact O-CG 3.49Å; C117-E121 PolarHBondContact O-N 2.82Å; C117-I226 PolarHBondContact N-O 2.98Å; C117-H229 VanDerWaalsContact CB-CE1 3.44Å; C117-H229 WeakPolarHBondContact CB-CE1 3.43Å; C117-H229 WeakPolarHBondContact CB-NE2 3.48Å
118L96.8Very high97.4Very high2 Ų212.1 Ų12.11%0.018%0.078CC..Hα-helixtrans-51.5-42.9171.917961.5000111.8V25 V83 P85 V90 T116 F120 E121 L122V25-L118 HydrophobicContact CB-CD2 4.45Å; V25-L118 HydrophobicContact CG1-CD2 3.97Å; V83-L118 HydrophobicContact CG2-CD2 3.78Å; P85-L118 HydrophobicContact CB-CD1 4.01Å; P85-L118 HydrophobicContact CG-CD1 3.78Å; V90-L118 HydrophobicContact CG1-CD2 4.12Å; T116-L118 PolarHBondContact O-N 3.12Å; L118-F120 VanDerWaalsContact C-N 3.27Å; L118-F120 PolarHBondContact O-N 3.46Å; L118-E121 WeakPolarHBondContact O-CB 3.47Å; L118-E121 PolarHBondContact O-N 3.06Å; L118-E121 VanDerWaalsContact O-N 3.14Å; L118-L122 HydrophobicContact CD1-CD1 4.43Å; L118-L122 HydrophobicContact CD1-CD2 4.31Å; L118-L122 HydrophobicContact CD1-CG 4.09Å; L118-L122 HydrophobicContact CG-CD1 4.09Å; L118-L122 HydrophobicContact CG-CG 4.2Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 2.94Å
119G97.9Very high96.8Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-61.5-32.5175.500000114.2V78 P79 G115 T116 C117 L123V78-G119 VanDerWaalsContact CG1-CA 3.48Å; P79-G119 PolarHBondContact O-N 3.42Å; P79-G119 VanDerWaalsContact O-N 3.08Å; G115-G119 VanDerWaalsContact CA-C 3.48Å; T116-G119 PolarHBondContact O-N 2.99Å; C117-G119 PolarHBondContact O-N 3.31Å; G119-L123 PolarHBondContact O-N 3.08Å; G119-L123 VanDerWaalsContact O-N 3.09Å
120F98.3Very high96Very high3 Ų317.8 Ų17.81%0.0138%0.084CC..Hα-helixtrans-68.7-45.3171.9161.8-89000111C117 L118 L122 L123 L124 I213 I216 I226 A227C117-F120 WeakPolarHBondContact O-CA 3.48Å; C117-F120 VanDerWaalsContact O-CB 3.26Å; C117-F120 WeakPolarHBondContact O-CB 3.5Å; C117-F120 PolarHBondContact O-N 3.42Å; L118-F120 VanDerWaalsContact C-N 3.27Å; L118-F120 PolarHBondContact O-N 3.46Å; F120-L122 VanDerWaalsContact C-N 3.33Å; F120-L122 PolarHBondContact O-N 3.21Å; F120-L123 WeakPolarHBondContact O-CB 3.26Å; F120-L123 PolarHBondContact O-N 3.27Å; F120-L124 HydrophobicContact CD1-CD1 4.08Å; F120-L124 HydrophobicContact CE1-CD1 3.46Å; F120-L124 VanDerWaalsContact CE1-CD1 3.46Å; F120-L124 HydrophobicContact CE1-CG 4.35Å; F120-L124 HydrophobicContact CE2-CD1 4.29Å; F120-L124 HydrophobicContact CZ-CD1 3.59Å; F120-L124 HydrophobicContact CZ-CG 4.3Å; F120-L124 WeakPolarHBondContact O-CG 3.45Å; F120-L124 PolarHBondContact O-N 2.68Å; F120-I213 HydrophobicContact CE2-CG2 4.39Å; F120-I213 HydrophobicContact CZ-CG2 4.23Å; F120-I216 HydrophobicContact CD2-CD1 3.86Å; F120-I216 HydrophobicContact CD2-CG1 3.91Å; F120-I216 HydrophobicContact CE2-CB 4.4Å; F120-I216 HydrophobicContact CE2-CD1 3.73Å; F120-I216 HydrophobicContact CE2-CG1 3.77Å; F120-I216 HydrophobicContact CE2-CG2 3.93Å; F120-I226 VanDerWaalsContact CB-O 3.28Å; F120-I226 WeakPolarHBondContact CB-O 3.39Å; F120-A227 HydrophobicContact CD1-CB 4.12Å; F120-A227 HydrophobicContact CE1-CB 4.15Å
121E97.2Very high95.1Very high10 Ų1018 Ų185%0.0479%0.091CC..Hα-helixtrans-59.1-44175.8-66.1161.1-156.500111.3P85 C117 L118 L123 L124 L125 L134P85-E121 HydrophobicContact CB-CB 4.46Å; P85-E121 HydrophobicContact CG-CB 4.18Å; P85-E121 WeakPolarHBondContact CG-OE2 3.43Å; C117-E121 WeakPolarHBondContact O-CG 3.49Å; C117-E121 PolarHBondContact O-N 2.82Å; L118-E121 WeakPolarHBondContact O-CB 3.47Å; L118-E121 PolarHBondContact O-N 3.06Å; L118-E121 VanDerWaalsContact O-N 3.14Å; E121-L123 PolarHBondContact O-N 2.85Å; E121-L124 PolarHBondContact O-N 3.23Å; E121-L125 WeakPolarHBondContact O-CG 3.23Å; E121-L125 PolarHBondContact O-N 2.76Å; E121-L134 HydrophobicContact CB-CD1 3.76Å; E121-L134 HydrophobicContact CB-CD2 4.38Å; E121-L134 HydrophobicContact CG-CD1 4.06Å; E121-L134 HydrophobicContact CG-CD2 4.16Å
122L96.9Very high94.5Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-65.6-36.9177.9-66.3178.7000112.5V78 P85 V90 L91 F94 L118 F120 S126V78-L122 HydrophobicContact CG1-CD1 3.92Å; P85-L122 HydrophobicContact CB-CD2 4.31Å; V90-L122 HydrophobicContact CB-CD1 4.49Å; V90-L122 HydrophobicContact CG1-CD1 3.86Å; V90-L122 HydrophobicContact CG2-CD1 3.95Å; L91-L122 HydrophobicContact CB-CD2 3.65Å; L91-L122 HydrophobicContact CD1-CD2 3.66Å; L91-L122 HydrophobicContact CG-CD2 4.18Å; F94-L122 HydrophobicContact CB-CD1 4.36Å; F94-L122 HydrophobicContact CD1-CB 3.63Å; F94-L122 VanDerWaalsContact CE1-C 3.48Å; F94-L122 HydrophobicContact CE1-CB 3.93Å; F94-L122 VanDerWaalsContact CE1-O 3.3Å; F94-L122 WeakPolarHBondContact CE1-O 3.27Å; F94-L122 HydrophobicContact CG-CB 4.28Å; F94-L122 HydrophobicContact CG-CD1 4.49Å; L118-L122 HydrophobicContact CD1-CD1 4.43Å; L118-L122 HydrophobicContact CD1-CD2 4.31Å; L118-L122 HydrophobicContact CD1-CG 4.09Å; L118-L122 HydrophobicContact CG-CD1 4.09Å; L118-L122 HydrophobicContact CG-CG 4.2Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 2.94Å; F120-L122 VanDerWaalsContact C-N 3.33Å; F120-L122 PolarHBondContact O-N 3.21Å; L122-S126 VanDerWaalsContact O-CB 3.26Å; L122-S126 WeakPolarHBondContact O-CB 3.23Å; L122-S126 PolarHBondContact O-N 2.92Å; L122-S126 PolarHBondContact O-OG 3Å
123L97Very high94.4Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-59.3-52.1171.5-88.5166.3000110.6F94 I113 G119 F120 E121 L125 S126 F127 F197 F223 Y224F94-L123 HydrophobicContact CE1-CD2 4.46Å; F94-L123 HydrophobicContact CE1-CG 4.4Å; F94-L123 HydrophobicContact CZ-CD2 3.74Å; F94-L123 HydrophobicContact CZ-CG 3.84Å; I113-L123 HydrophobicContact CG2-CD2 4.15Å; G119-L123 PolarHBondContact O-N 3.08Å; G119-L123 VanDerWaalsContact O-N 3.09Å; F120-L123 WeakPolarHBondContact O-CB 3.26Å; F120-L123 PolarHBondContact O-N 3.27Å; E121-L123 PolarHBondContact O-N 2.85Å; L123-L125 PolarHBondContact O-N 2.94Å; L123-S126 PolarHBondContact O-N 3.39Å; L123-F127 HydrophobicContact CD2-CE2 4.16Å; L123-F127 VanDerWaalsContact O-CD2 3.29Å; L123-F127 WeakPolarHBondContact O-CD2 3.2Å; L123-F127 PolarHBondContact O-N 3.02Å; L123-F197 HydrophobicContact CD2-CZ 4.44Å; L123-F223 HydrophobicContact CD2-CB 4.35Å; L123-Y224 WeakPolarHBondContact CD1-O 3.4Å
124L97.2Very high94.2Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-57.2-51.3179.3-63.6178.1000111.1F120 E121 S126 F127 S128 V133 L134 A183 F188 L193 I216F120-L124 HydrophobicContact CD1-CD1 4.08Å; F120-L124 HydrophobicContact CE1-CD1 3.46Å; F120-L124 VanDerWaalsContact CE1-CD1 3.46Å; F120-L124 HydrophobicContact CE1-CG 4.35Å; F120-L124 HydrophobicContact CE2-CD1 4.29Å; F120-L124 HydrophobicContact CZ-CD1 3.59Å; F120-L124 HydrophobicContact CZ-CG 4.3Å; F120-L124 WeakPolarHBondContact O-CG 3.45Å; F120-L124 PolarHBondContact O-N 2.68Å; E121-L124 PolarHBondContact O-N 3.23Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 2.83Å; L124-F127 PolarHBondContact O-N 2.78Å; L124-S128 WeakPolarHBondContact O-CB 3.31Å; L124-S128 PolarHBondContact O-N 2.82Å; L124-S128 PolarHBondContact O-OG 3.45Å; L124-V133 HydrophobicContact CB-CG1 3.84Å; L124-V133 HydrophobicContact CB-CG2 4.42Å; L124-V133 HydrophobicContact CD1-CG2 4.4Å; L124-L134 HydrophobicContact CD1-CD2 3.86Å; L124-A183 HydrophobicContact CD1-CB 3.51Å; L124-F188 HydrophobicContact CD2-CD2 4.05Å; L124-F188 HydrophobicContact CD2-CE2 3.79Å; L124-L193 HydrophobicContact CB-CD1 4.03Å; L124-L193 HydrophobicContact CD2-CD1 3.49Å; L124-L193 VanDerWaalsContact CD2-CD1 3.49Å; L124-L193 HydrophobicContact CG-CD1 4.34Å; L124-I216 HydrophobicContact CD2-CD1 3.66Å; L124-I216 HydrophobicContact CG-CD1 4.38Å
125L95.9Very high94Very high2 Ų229.3 Ų29.31%0.0115%0.149CC..Hα-helixtrans-61.2-36.2-179.7-70.5174.2000113.5P85 L86 L91 E121 L123 F127 R130 V133 L134P85-L125 HydrophobicContact CB-CD1 3.57Å; L86-L125 HydrophobicContact CD2-CD1 4.07Å; L86-L125 HydrophobicContact CD2-CD2 3.81Å; L86-L125 HydrophobicContact CG-CD1 4.08Å; L86-L125 HydrophobicContact CG-CD2 4.23Å; L91-L125 HydrophobicContact CD1-CB 4.45Å; E121-L125 WeakPolarHBondContact O-CG 3.23Å; E121-L125 PolarHBondContact O-N 2.76Å; L123-L125 PolarHBondContact O-N 2.94Å; L125-F127 VanDerWaalsContact C-N 3.3Å; L125-F127 PolarHBondContact O-N 3.45Å; L125-R130 WeakPolarHBondContact O-CA 3.4Å; L125-R130 PolarHBondContact O-N 2.86Å; L125-V133 HydrophobicContact CD2-CG1 4.15Å; L125-L134 HydrophobicContact CD1-CD1 3.82Å; L125-L134 HydrophobicContact CD2-CD1 4.13Å; L125-L134 HydrophobicContact CD2-CG 4.36Å; L125-L134 HydrophobicContact CG-CD1 3.89Å; L125-L134 HydrophobicContact CG-CG 4.44Å
126S95.1Very high93.8Very high17 Ų1735.7 Ų35.712%0.11918%0.177CC..Hα-helixtrans-70.6-28.2-178.9-64.10000112.8F94 L122 L123 L124F94-S126 VanDerWaalsContact CD1-OG 3.29Å; F94-S126 WeakPolarHBondContact CD1-OG 3.25Å; F94-S126 VanDerWaalsContact CE1-OG 3.25Å; F94-S126 WeakPolarHBondContact CE1-OG 3.37Å; L122-S126 VanDerWaalsContact O-CB 3.26Å; L122-S126 WeakPolarHBondContact O-CB 3.23Å; L122-S126 PolarHBondContact O-N 2.92Å; L122-S126 PolarHBondContact O-OG 3Å; L123-S126 PolarHBondContact O-N 3.39Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 2.83Å
127F95.9Very high93.7Very high42 Ų4236.2 Ų36.218%0.18418%0.181CC..Hα-helixtrans-102.5-14.5-178.3-76.2-98.4000113.5A98 V102 L123 L124 L125 N129 L193 I196 F197 H218 F223A98-F127 HydrophobicContact CB-CE2 4.45Å; V102-F127 HydrophobicContact CG2-CE1 4.09Å; V102-F127 HydrophobicContact CG2-CZ 3.87Å; L123-F127 HydrophobicContact CD2-CE2 4.16Å; L123-F127 VanDerWaalsContact O-CD2 3.29Å; L123-F127 WeakPolarHBondContact O-CD2 3.2Å; L123-F127 PolarHBondContact O-N 3.02Å; L124-F127 PolarHBondContact O-N 2.78Å; L125-F127 VanDerWaalsContact C-N 3.3Å; L125-F127 PolarHBondContact O-N 3.45Å; F127-N129 VanDerWaalsContact C-N 3.29Å; F127-L193 HydrophobicContact CB-CD2 3.8Å; F127-I196 HydrophobicContact CB-CD1 4.49Å; F127-I196 HydrophobicContact CB-CG2 4.34Å; F127-I196 HydrophobicContact CD1-CG2 3.7Å; F127-I196 HydrophobicContact CE1-CG2 4.45Å; F127-I196 HydrophobicContact CG-CG2 4.32Å; F127-F197 HydrophobicContact CB-CE2 3.61Å; F127-F197 HydrophobicContact CB-CZ 4.19Å; F127-F197 HydrophobicContact CD1-CE2 4.14Å; F127-F197 HydrophobicContact CD1-CZ 4.2Å; F127-F197 HydrophobicContact CD2-CE2 4.09Å; F127-F197 AromaticContact CD2-CZ 3.75Å; F127-F197 HydrophobicContact CD2-CZ 3.75Å; F127-F197 HydrophobicContact CE2-CZ 4.15Å; F127-F197 AromaticContact CG-CE2 3.68Å; F127-F197 HydrophobicContact CG-CE2 3.68Å; F127-F197 AromaticContact CG-CZ 3.77Å; F127-F197 HydrophobicContact CG-CZ 3.77Å; F127-H218 AromaticContact CE1-CD2 3.77Å; F127-H218 AromaticContact CE1-NE2 3.71Å; F127-F223 HydrophobicContact CE1-CD2 4.43Å; F127-F223 HydrophobicContact CE1-CE2 4.35Å; F127-F223 HydrophobicContact CE2-CD2 4.3Å; F127-F223 AromaticContact CZ-CD2 3.69Å; F127-F223 HydrophobicContact CZ-CD2 3.69Å; F127-F223 AromaticContact CZ-CE2 3.64Å; F127-F223 HydrophobicContact CZ-CE2 3.64Å
128S94.3Very high93.6Very high7 Ų738.2 Ų38.25%0.04919%0.191CC..THydrogen-bonded Turntrans-90.59.6173.578.20000113L124 R130 S131L124-S128 WeakPolarHBondContact O-CB 3.31Å; L124-S128 PolarHBondContact O-N 2.82Å; L124-S128 PolarHBondContact O-OG 3.45Å; S128-R130 PolarHBondContact O-N 3.26Å; S128-S131 WeakPolarHBondContact CB-OG 3.43Å; S128-S131 VanDerWaalsContact O-CB 3.25Å; S128-S131 WeakPolarHBondContact O-CB 3.44Å; S128-S131 PolarHBondContact O-N 3.49Å; S128-S131 PolarHBondContact O-OG 2.98Å; S128-S131 PolarHBondContact OG-N 2.93Å; S128-S131 PolarHBondContact OG-OG 3.27Å
129N84.8Confident93.7Very high137 Ų13738.1 Ų38.173%0.73319%0.191SC*.THydrogen-bonded Turntrans51.139.3-170.1-166.540.5000112.9F127 S131F127-N129 VanDerWaalsContact C-N 3.29Å; N129-S131 PolarHBondContact O-N 3.5Å
130R81.9Confident93.6Very high108 Ų10841.8 Ų41.841%0.40821%0.208SC..THydrogen-bonded Turntrans58.626.6-177.2-48.4178.4-177.9-145.2-2114.1L86 L125 S128L86-R130 HydrophobicContact CD2-CB 4.12Å; L125-R130 WeakPolarHBondContact O-CA 3.4Å; L125-R130 PolarHBondContact O-N 2.86Å; S128-R130 PolarHBondContact O-N 3.26Å
131S79.2Confident93.6Very high44 Ų4444.3 Ų44.331%0.30822%0.221SC..  trans-70.1166.9169.758.50000111.6S128 N129 V133 S191S128-S131 WeakPolarHBondContact CB-OG 3.43Å; S128-S131 VanDerWaalsContact O-CB 3.25Å; S128-S131 WeakPolarHBondContact O-CB 3.44Å; S128-S131 PolarHBondContact O-N 3.49Å; S128-S131 PolarHBondContact O-OG 2.98Å; S128-S131 PolarHBondContact OG-N 2.93Å; S128-S131 PolarHBondContact OG-OG 3.27Å; N129-S131 PolarHBondContact O-N 3.5Å; S131-V133 PolarHBondContact O-N 3.08Å; S131-S191 WeakPolarHBondContact OG-CB 3.28Å
132D85Confident93.6Very high144 Ų14445 Ų4577%0.7723%0.225SC*.SBendtrans-7160.4-177.7-64.5-33.1000112.9
133V95.6Very high93.7Very high0 Ų046.4 Ų46.40%023%0.232CC..  trans-81.5-21.6172.964.90000112.6L124 L125 S131 A183 T187 S191 L193L124-V133 HydrophobicContact CB-CG1 3.84Å; L124-V133 HydrophobicContact CB-CG2 4.42Å; L124-V133 HydrophobicContact CD1-CG2 4.4Å; L125-V133 HydrophobicContact CD2-CG1 4.15Å; S131-V133 PolarHBondContact O-N 3.08Å; V133-A183 HydrophobicContact CG2-CB 4.23Å; V133-T187 WeakPolarHBondContact O-CB 3.26Å; V133-T187 PolarHBondContact O-OG1 2.72Å; V133-S191 WeakPolarHBondContact CG2-OG 3.46Å; V133-L193 HydrophobicContact CB-CD1 4.47Å; V133-L193 HydrophobicContact CG2-CD1 3.72Å
134L95.6Very high93.8Very high27 Ų2747.3 Ų47.314%0.14124%0.237CC..  trans-100.7125.3-178.9-62-178.4000110.3P85 E121 L124 L125 W181 C182 A183P85-L134 HydrophobicContact CB-CD1 4.4Å; P85-L134 HydrophobicContact CG-CD1 4.31Å; E121-L134 HydrophobicContact CB-CD1 3.76Å; E121-L134 HydrophobicContact CB-CD2 4.38Å; E121-L134 HydrophobicContact CG-CD1 4.06Å; E121-L134 HydrophobicContact CG-CD2 4.16Å; L124-L134 HydrophobicContact CD1-CD2 3.86Å; L125-L134 HydrophobicContact CD1-CD1 3.82Å; L125-L134 HydrophobicContact CD2-CD1 4.13Å; L125-L134 HydrophobicContact CD2-CG 4.36Å; L125-L134 HydrophobicContact CG-CD1 3.89Å; L125-L134 HydrophobicContact CG-CG 4.44Å; L134-W181 HydrophobicContact CB-CB 4.3Å; L134-W181 HydrophobicContact CD1-CB 4.41Å; L134-C182 CarbonylContact C-O 3.53Å; L134-C182 WeakPolarHBondContact CA-O 3.25Å; L134-A183 HydrophobicContact CD2-CB 4.43Å
135E94.5Very high93.8Very high68 Ų6850.4 Ų50.432%0.31825%0.253SS..EExtended strand (participates in β ladder)trans-113.3150.717259.2175.5-128.800110.7C137 W181 C182 T184 T187E135-C137 PolarHBondContact O-N 3.35Å; E135-W181 CarbonylContact O-C 3.56Å; E135-W181 WeakPolarHBondContact O-CA 3.28Å; E135-C182 WeakPolarHBondContact CG-O 3.36Å; E135-C182 PolarHBondContact N-O 2.82Å; E135-C182 PolarHBondContact O-N 2.82Å; E135-T184 HydrophobicContact CG-CG2 4.3Å; E135-T184 WeakPolarHBondContact OE1-CG2 3.44Å; E135-T184 PolarHBondContact OE2-OG1 3.26Å; E135-T187 WeakPolarHBondContact OE2-CG2 3.13Å
136K94.7Very high93.9Very high134 Ų13450.3 Ų50.358%0.58325%0.252SS*.EExtended strand (participates in β ladder)trans-74.3125.8178.9-174.9168.9179.2170.50110.5D138 Q180 W181K136-D138 VanDerWaalsContact CE-OD1 3.31Å; K136-D138 WeakPolarHBondContact CE-OD1 3.32Å; K136-D138 WeakPolarHBondContact CE-OD2 3.35Å; K136-Q180 WeakPolarHBondContact CA-O 3.39Å; K136-W181 HydrophobicContact CB-CE3 4.08Å; K136-W181 HydrophobicContact CB-CH2 4.38Å; K136-W181 HydrophobicContact CB-CZ3 3.8Å
137C96Very high94.1Very high11 Ų1152 Ų527%0.07426%0.264CS..  trans-131.4-22-17864.10000114.4E135 V139 Q180 W181 C182 K208 V210E135-C137 PolarHBondContact O-N 3.35Å; C137-V139 VanDerWaalsContact C-N 3.33Å; C137-V139 HydrophobicContact CB-CG2 4.27Å; C137-V139 PolarHBondContact O-N 3.1Å; C137-Q180 PolarHBondContact N-O 3.13Å; C137-W181 VanDerWaalsContact SG-C 3.53Å; C137-C182 HydrophobicContact CB-CB 3.63Å; C137-C182 WeakPolarHBondContact CB-SG 3.29Å; C137-C182 WeakPolarHBondContact SG-CB 3.25Å; C137-C182 PolarHBondContact SG-N 2.87Å; C137-C182 VanDerWaalsContact SG-N 3.37Å; C137-C182 CovalentContact SG-SG 2.03Å; C137-C182 PolarHBondContact SG-SG 2.88Å; C137-K208 WeakPolarHBondContact O-CG 3.33Å; C137-V210 HydrophobicContact CB-CG1 4.19Å; C137-V210 HydrophobicContact CB-CG2 4.48Å
138D96.5Very high94.2Very high47 Ų4752.1 Ų52.125%0.25127%0.269SS..  trans52.939.6176.3-63.5-50.3000115K136 Q140 H179 Q180 K208K136-D138 VanDerWaalsContact CE-OD1 3.31Å; K136-D138 WeakPolarHBondContact CE-OD1 3.32Å; K136-D138 WeakPolarHBondContact CE-OD2 3.35Å; D138-Q140 PolarHBondContact O-N 3.43Å; D138-Q140 VanDerWaalsContact O-N 3.13Å; D138-H179 CarbonylContact C-O 3.52Å; D138-Q180 PolarHBondContact N-O 2.93Å; D138-Q180 VanDerWaalsContact N-O 3.15Å; D138-K208 VanDerWaalsContact CB-NZ 3.26Å; D138-K208 WeakPolarHBondContact O-CE 3.21Å; D138-K208 PolarHBondContact O-NZ 3.29Å
139V97.7Very high94.3Very high0 Ų052.8 Ų52.80%027%0.273CS..  trans-77.395.8175.7-179.10000109.5C137 E142 L144 N177 H179 K208 V210 F212C137-V139 VanDerWaalsContact C-N 3.33Å; C137-V139 HydrophobicContact CB-CG2 4.27Å; C137-V139 PolarHBondContact O-N 3.1Å; V139-E142 HydrophobicContact CG1-CB 4.15Å; V139-E142 HydrophobicContact CG1-CG 4.36Å; V139-L144 HydrophobicContact CG1-CD1 4.17Å; V139-N177 HydrophobicContact CG1-CB 3.67Å; V139-H179 CarbonylContact C-O 3.48Å; V139-H179 PolarHBondContact N-O 2.93Å; V139-H179 PolarHBondContact O-N 2.76Å; V139-K208 HydrophobicContact CG2-CB 4.34Å; V139-K208 HydrophobicContact CG2-CG 4.18Å; V139-V210 HydrophobicContact CG2-CG1 3.96Å; V139-F212 HydrophobicContact CG1-CE1 4.29Å; V139-F212 HydrophobicContact CG1-CZ 4.27Å; V139-F212 HydrophobicContact CG2-CD1 4.45Å; V139-F212 HydrophobicContact CG2-CE1 3.91Å
140Q96.6Very high94.7Very high77 Ų7754.4 Ų54.436%0.3627%0.273SS..EExtended strand (participates in β ladder)trans-122.9127.1-169.9-69.5-68.2-34.100111.6D138 E142 F178 H179D138-Q140 PolarHBondContact O-N 3.43Å; D138-Q140 VanDerWaalsContact O-N 3.13Å; Q140-E142 VanDerWaalsContact C-N 3.25Å; Q140-E142 PolarHBondContact O-N 2.68Å; Q140-F178 PolarHBondContact NE2-O 2.91Å; Q140-H179 PolarHBondContact NE2-O 2.84Å
141N97.1Very high95.2Very high55 Ų5553 Ų5329%0.29427%0.271SS..EExtended strand (participates in β ladder)trans57.937.8177-157.338.1000113N177 F178 S240 L241 N242N141-N177 PolarHBondContact N-O 2.8Å; N141-F178 VanDerWaalsContact CA-CE1 3.48Å; N141-F178 HydrophobicContact CB-CD1 4.36Å; N141-F178 HydrophobicContact CB-CE1 3.76Å; N141-F178 HydrophobicContact CB-CZ 4.46Å; N141-F178 WeakPolarHBondContact OD1-CE1 3.48Å; N141-F178 VanDerWaalsContact OD1-CZ 3.27Å; N141-F178 WeakPolarHBondContact OD1-CZ 3.14Å; N141-S240 PolarHBondContact ND2-O 3.29Å; N141-L241 WeakPolarHBondContact OD1-CA 3.43Å; N141-N242 WeakPolarHBondContact O-CB 3.4Å; N141-N242 PolarHBondContact OD1-N 3.02Å
142E98.3Very high95.9Very high25 Ų2552.4 Ų52.412%0.11726%0.263CS..EExtended strand (participates in β ladder)trans-107.5134.5176.9-63.6-167.1-105.700109.9V139 Q140 L144 N177 S205V139-E142 HydrophobicContact CG1-CB 4.15Å; V139-E142 HydrophobicContact CG1-CG 4.36Å; Q140-E142 VanDerWaalsContact C-N 3.25Å; Q140-E142 PolarHBondContact O-N 2.68Å; E142-L144 HydrophobicContact CB-CD2 4.07Å; E142-L144 HydrophobicContact CB-CG 4.13Å; E142-N177 PolarHBondContact N-O 3.29Å; E142-N177 PolarHBondContact O-N 2.88Å; E142-S205 WeakPolarHBondContact OE1-CB 3.25Å; E142-S205 PolarHBondContact OE1-OG 3.49Å; E142-S205 PolarHBondContact OE2-OG 3.34Å
143L98.1Very high95.6Very high29 Ų2950.4 Ų50.415%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-103.7110176.1-170.669.7000107.4P173 P176L143-P173 HydrophobicContact CB-CB 4.36Å; L143-P173 HydrophobicContact CD2-CB 4.02Å; L143-P173 HydrophobicContact CD2-CG 4.05Å; L143-P173 VanDerWaalsContact CD2-O 3.26Å; L143-P173 WeakPolarHBondContact CD2-O 3.48Å; L143-P173 HydrophobicContact CG-CB 3.8Å; L143-P173 HydrophobicContact CG-CG 4.39Å; L143-P173 WeakPolarHBondContact CG-O 3.39Å; L143-P173 WeakPolarHBondContact O-CB 3.29Å; L143-P176 HydrophobicContact CD1-CB 4.23Å; L143-P176 HydrophobicContact CD1-CG 3.78Å
144L98.6Very high94.8Very high19 Ų1959.7 Ų59.710%0.09930%0.297CS..EExtended strand (participates in β ladder)trans-117.5158.7-168.1-58.1-178.9000111.7V139 E142 P173 L174 A175 N177 R204 F212V139-L144 HydrophobicContact CG1-CD1 4.17Å; E142-L144 HydrophobicContact CB-CD2 4.07Å; E142-L144 HydrophobicContact CB-CG 4.13Å; L144-P173 CarbonylContact O-C 3.52Å; L144-L174 PolarHBondContact O-N 2.83Å; L144-A175 PolarHBondContact N-O 3.36Å; L144-A175 WeakPolarHBondContact O-CB 3.13Å; L144-A175 PolarHBondContact O-N 3.28Å; L144-N177 HydrophobicContact CD1-CB 4.42Å; L144-R204 WeakPolarHBondContact CD2-O 3.38Å; L144-F212 HydrophobicContact CD1-CE1 4.11Å; L144-F212 HydrophobicContact CD1-CZ 3.92Å
145I98.6Very high94.6Very high65 Ų6558.9 Ų58.933%0.33329%0.293SS..  trans-79.7165.3167.670.3174.6000110.5Q170 E172 S203I145-Q170 WeakPolarHBondContact CD1-O 3.26Å; I145-E172 WeakPolarHBondContact CG2-O 3.17Å; I145-S203 PolarHBondContact O-OG 3.22Å
146L98.7Very high94.7Very high0 Ų058.4 Ų58.40%029%0.288CS..  trans-115.3108.9174.7-61170.2000108.9P148 M169 A175 T201 S214 W228L146-P148 WeakPolarHBondContact O-CD 3.35Å; L146-M169 HydrophobicContact CB-CB 4.27Å; L146-M169 HydrophobicContact CB-CE 3.74Å; L146-M169 HydrophobicContact CD1-CB 4.29Å; L146-M169 PolarHBondContact N-O 2.96Å; L146-A175 HydrophobicContact CD1-CB 4.38Å; L146-A175 HydrophobicContact CD2-CB 3.83Å; L146-A175 HydrophobicContact CG-CB 4Å; L146-T201 HydrophobicContact CB-CG2 4.21Å; L146-S214 WeakPolarHBondContact CD2-OG 3.31Å; L146-W228 HydrophobicContact CD1-CD2 4.48Å; L146-W228 HydrophobicContact CD1-CH2 3.96Å; L146-W228 HydrophobicContact CD1-CZ2 3.5Å; L146-W228 HydrophobicContact CD2-CD2 4.38Å; L146-W228 HydrophobicContact CD2-CG 4.35Å
147S98.1Very high94.8Very high52 Ų5252 Ų5236%0.36426%0.26SS..EExtended strand (participates in β ladder)trans-91.9118.5-179.8-61.60000110.4T201 L202S147-T201 CarbonylContact O-C 3.53Å; S147-T201 WeakPolarHBondContact O-CA 3.43Å; S147-L202 PolarHBondContact N-O 3.21Å; S147-L202 PolarHBondContact O-N 3.42Å
148P97.6Very high94.8Very high45 Ų4551.7 Ų51.729%0.29226%0.258SS..EExtended strand (participates in β ladder)trans-58.4141.7177.1-27.234.8000112.7L146 F152 M169 Q170L146-P148 WeakPolarHBondContact O-CD 3.35Å; P148-F152 HydrophobicContact CB-CB 3.82Å; P148-F152 HydrophobicContact CB-CD1 4.1Å; P148-F152 HydrophobicContact CB-CD2 4.01Å; P148-F152 HydrophobicContact CB-CG 3.71Å; P148-F152 HydrophobicContact CG-CD1 4.45Å; P148-F152 HydrophobicContact CG-CD2 4.47Å; P148-F152 HydrophobicContact CG-CG 4.38Å; P148-M169 HydrophobicContact CG-CE 4.28Å; P148-Q170 HydrophobicContact CG-CG 3.88Å
149T97Very high94.7Very high22 Ų2259.4 Ų59.414%0.13528%0.283CS..  trans-91.3-179.9168.873.70000111H151 F152 T199 L200 L202T149-H151 PolarHBondContact O-N 3.47Å; T149-H151 PolarHBondContact OG1-N 2.66Å; T149-F152 VanDerWaalsContact O-CB 3.29Å; T149-F152 WeakPolarHBondContact O-CB 3.5Å; T149-F152 PolarHBondContact O-N 3.36Å; T149-T199 WeakPolarHBondContact CB-O 3.35Å; T149-T199 WeakPolarHBondContact CG2-O 3.37Å; T149-T199 PolarHBondContact OG1-O 3.2Å; T149-L200 PolarHBondContact N-O 3.09Å; T149-L200 PolarHBondContact OG1-O 3.23Å; T149-L202 HydrophobicContact CG2-CD2 4.18Å; T149-L202 HydrophobicContact CG2-CG 3.9Å
150K94Very high94.5Very high170 Ų17061.9 Ų61.974%0.73931%0.309SS*.G310 helixtrans-60.2-23.6168.970.1-173.2-178.4-172.90114.3F152K150-F152 VanDerWaalsContact C-N 3.33Å
151H92.4Very high94.5Very high80 Ų8058.8 Ų58.837%0.3730%0.296SS..G310 helixtrans-88.2-2.3-179.5-58.7-74000113T149 T153T149-H151 PolarHBondContact O-N 3.47Å; T149-H151 PolarHBondContact OG1-N 2.66Å; H151-T153 PolarHBondContact O-N 3.46Å
152F93.1Very high94.5Very high31 Ų3158 Ų5814%0.13630%0.295CS..G310 helixtrans-66-22.2-180-164.9-93.3000113.3P148 T149 K150 F154 N155 F158 L166 M169 L200 T201P148-F152 HydrophobicContact CB-CB 3.82Å; P148-F152 HydrophobicContact CB-CD1 4.1Å; P148-F152 HydrophobicContact CB-CD2 4.01Å; P148-F152 HydrophobicContact CB-CG 3.71Å; P148-F152 HydrophobicContact CG-CD1 4.45Å; P148-F152 HydrophobicContact CG-CD2 4.47Å; P148-F152 HydrophobicContact CG-CG 4.38Å; T149-F152 VanDerWaalsContact O-CB 3.29Å; T149-F152 WeakPolarHBondContact O-CB 3.5Å; T149-F152 PolarHBondContact O-N 3.36Å; K150-F152 VanDerWaalsContact C-N 3.33Å; F152-F154 PolarHBondContact O-N 2.8Å; F152-N155 PolarHBondContact O-ND2 3.32Å; F152-F158 HydrophobicContact CD2-CD2 4.26Å; F152-F158 HydrophobicContact CE1-CB 4.35Å; F152-F158 HydrophobicContact CE2-CB 4.07Å; F152-F158 AromaticContact CE2-CD2 3.37Å; F152-F158 HydrophobicContact CE2-CD2 3.37Å; F152-F158 AromaticContact CE2-CE2 3.89Å; F152-F158 HydrophobicContact CE2-CE2 3.89Å; F152-F158 AromaticContact CE2-CG 3.78Å; F152-F158 HydrophobicContact CE2-CG 3.78Å; F152-F158 HydrophobicContact CZ-CB 3.64Å; F152-F158 HydrophobicContact CZ-CD1 4.45Å; F152-F158 AromaticContact CZ-CD2 3.84Å; F152-F158 HydrophobicContact CZ-CD2 3.84Å; F152-F158 AromaticContact CZ-CG 3.74Å; F152-F158 HydrophobicContact CZ-CG 3.74Å; F152-L166 HydrophobicContact CE1-CD2 3.85Å; F152-L166 HydrophobicContact CZ-CD2 3.64Å; F152-M169 HydrophobicContact CE2-CE 3.73Å; F152-M169 HydrophobicContact CE2-SD 4.31Å; F152-M169 HydrophobicContact CZ-CE 3.91Å; F152-M169 HydrophobicContact CZ-SD 3.96Å; F152-L200 HydrophobicContact CD2-CB 4.29Å; F152-L200 WeakPolarHBondContact CD2-O 3.47Å; F152-T201 HydrophobicContact CD2-CG2 4.06Å; F152-T201 HydrophobicContact CE2-CG2 3.91Å
153T79.3Confident94.4Very high102 Ų10262 Ų6263%0.62632%0.323SS*.G310 helixtrans-71.7-23.5-172.145.90000115.1H151H151-T153 PolarHBondContact O-N 3.46Å
154F77.3Confident94.4Very high195 Ų19565.6 Ų65.686%0.85534%0.339SS*.G310 helixtrans-12427.2-174.3-60.1-73.3000113.4F152F152-F154 PolarHBondContact O-N 2.8Å
155N93.2Very high94.3Very high9 Ų964.7 Ų64.75%0.04834%0.335CS..  trans-87.7156.1-172.980.760.9000113.1F152 M157 F158 R159 L200 E217F152-N155 PolarHBondContact O-ND2 3.32Å; N155-M157 PolarHBondContact OD1-N 3.07Å; N155-M157 VanDerWaalsContact OD1-N 3.17Å; N155-F158 WeakPolarHBondContact OD1-CA 3.35Å; N155-F158 WeakPolarHBondContact OD1-CB 3.03Å; N155-F158 PolarHBondContact OD1-N 3.46Å; N155-R159 WeakPolarHBondContact O-CB 3.13Å; N155-L200 HydrophobicContact CB-CD1 3.74Å; N155-L200 HydrophobicContact CB-CD2 3.42Å; N155-L200 VanDerWaalsContact CB-CD2 3.42Å; N155-L200 HydrophobicContact CB-CG 4.22Å; N155-E217 WeakPolarHBondContact CA-OE1 3.22Å
156R95.3Very high94.2Very high58 Ų5863.6 Ų63.622%0.21933%0.329CS..SBendtrans-85.1-31.8175.1-63.2-175.9-59.1-80.9-1.4112.2F158 R159 E217 H218 F221 Y224R156-F158 PolarHBondContact O-N 3.04Å; R156-R159 WeakPolarHBondContact O-CG 3.3Å; R156-E217 IonicContact CZ-OE1 3.72Å; R156-E217 VanDerWaalsContact N-CD 3.31Å; R156-E217 PolarHBondContact N-OE1 2.8Å; R156-E217 PolarHBondContact N-OE2 2.86Å; R156-E217 IonicContact NH1-OE1 2.98Å; R156-H218 PolarHBondContact NH1-O 3.06Å; R156-H218 PolarHBondContact NH2-O 3.26Å; R156-F221 PolarHBondContact NH2-O 3.45Å; R156-Y224 HydrophobicContact CB-CE1 4.22Å; R156-Y224 PolarHBondContact NE-OH 3Å
157M97.1Very high94.2Very high0 Ų067.7 Ų67.70%035%0.348CS..SBendtrans-63.3-44.4-173.2-173.4176.4-65.300113.5W114 N155 L200 T215 E217 Y224 I226 Y255 L256 L259W114-M157 HydrophobicContact CH2-CE 4.03Å; W114-M157 HydrophobicContact CH2-SD 4.24Å; W114-M157 HydrophobicContact CZ3-CE 3.89Å; N155-M157 PolarHBondContact OD1-N 3.07Å; N155-M157 VanDerWaalsContact OD1-N 3.17Å; M157-L200 HydrophobicContact CB-CD1 3.8Å; M157-L200 HydrophobicContact SD-CD1 4.45Å; M157-T215 HydrophobicContact CE-CG2 3.77Å; M157-T215 HydrophobicContact SD-CG2 3.35Å; M157-T215 WeakPolarHBondContact SD-CG2 3.24Å; M157-E217 PolarHBondContact N-OE2 2.82Å; M157-Y224 HydrophobicContact CB-CD1 4.42Å; M157-Y224 HydrophobicContact CE-CD1 3.62Å; M157-Y224 HydrophobicContact CE-CG 3.99Å; M157-I226 HydrophobicContact CE-CG2 4.48Å; M157-I226 HydrophobicContact SD-CG2 4.34Å; M157-Y255 WeakPolarHBondContact O-CE1 3.39Å; M157-Y255 VanDerWaalsContact O-CZ 3.32Å; M157-Y255 PolarHBondContact O-OH 3.29Å; M157-L256 HydrophobicContact CG-CD2 3.99Å; M157-L256 HydrophobicContact SD-CD2 4.2Å; M157-L259 HydrophobicContact CB-CD2 4.13Å; M157-L259 HydrophobicContact CG-CD2 3.59Å; M157-L259 WeakPolarHBondContact O-CD2 3.4Å
158F96.6Very high94.2Very high4 Ų465.4 Ų65.42%0.01833%0.332CS..SBendtrans-111.9-2.7-170.7-63.3-74.2000114.4F152 N155 R156 G160 A161 L166 M169 L200 T201 T215 M252 Y255 L256F152-F158 HydrophobicContact CD2-CD2 4.26Å; F152-F158 HydrophobicContact CE1-CB 4.35Å; F152-F158 HydrophobicContact CE2-CB 4.07Å; F152-F158 AromaticContact CE2-CD2 3.37Å; F152-F158 HydrophobicContact CE2-CD2 3.37Å; F152-F158 AromaticContact CE2-CE2 3.89Å; F152-F158 HydrophobicContact CE2-CE2 3.89Å; F152-F158 AromaticContact CE2-CG 3.78Å; F152-F158 HydrophobicContact CE2-CG 3.78Å; F152-F158 HydrophobicContact CZ-CB 3.64Å; F152-F158 HydrophobicContact CZ-CD1 4.45Å; F152-F158 AromaticContact CZ-CD2 3.84Å; F152-F158 HydrophobicContact CZ-CD2 3.84Å; F152-F158 AromaticContact CZ-CG 3.74Å; F152-F158 HydrophobicContact CZ-CG 3.74Å; N155-F158 WeakPolarHBondContact OD1-CA 3.35Å; N155-F158 WeakPolarHBondContact OD1-CB 3.03Å; N155-F158 PolarHBondContact OD1-N 3.46Å; R156-F158 PolarHBondContact O-N 3.04Å; F158-G160 PolarHBondContact O-N 3.14Å; F158-A161 VanDerWaalsContact O-CB 3.31Å; F158-A161 WeakPolarHBondContact O-CB 3.29Å; F158-A161 PolarHBondContact O-N 3.48Å; F158-L166 HydrophobicContact CB-CD2 4.07Å; F158-M169 HydrophobicContact CD1-SD 4.44Å; F158-M169 HydrophobicContact CE1-SD 4.35Å; F158-L200 HydrophobicContact CD2-CD1 4.07Å; F158-L200 HydrophobicContact CE2-CD1 4.16Å; F158-T201 HydrophobicContact CE2-CG2 4.38Å; F158-T215 HydrophobicContact CE2-CG2 3.96Å; F158-T215 HydrophobicContact CZ-CG2 4.4Å; F158-M252 HydrophobicContact CE1-CE 4.18Å; F158-M252 HydrophobicContact CE1-SD 3.99Å; F158-Y255 WeakPolarHBondContact CA-OH 3.49Å; F158-Y255 HydrophobicContact CD1-CE1 4.22Å; F158-L256 HydrophobicContact CE1-CD2 4.19Å
159R94Very high94.2Very high209 Ų20963.2 Ų63.279%0.78932%0.318SS*.THydrogen-bonded Turntrans-57.2-22177.561.3176.8-79.8-177-2.7114.9N155 R156N155-R159 WeakPolarHBondContact O-CB 3.13Å; R156-R159 WeakPolarHBondContact O-CG 3.3Å
160G94Very high94.2Very high52 Ų5266.5 Ų66.554%0.53633%0.332SS..THydrogen-bonded Turntrans-100.6-0.6178.900000114F158 Y255F158-G160 PolarHBondContact O-N 3.14Å; G160-Y255 VanDerWaalsContact C-CE2 3.43Å; G160-Y255 PolarHBondContact N-OH 2.87Å; G160-Y255 WeakPolarHBondContact O-CE2 3.25Å
161A96.2Very high94.4Very high12 Ų1267.3 Ų67.310%0.09933%0.33CS..SBendtrans-72.1147.1-178.700000110.5F158 L165 L166 Y255F158-A161 VanDerWaalsContact O-CB 3.31Å; F158-A161 WeakPolarHBondContact O-CB 3.29Å; F158-A161 PolarHBondContact O-N 3.48Å; A161-L165 HydrophobicContact CB-CD2 4.23Å; A161-L166 HydrophobicContact CB-CD2 3.74Å; A161-L166 HydrophobicContact CB-CG 3.91Å; A161-Y255 HydrophobicContact CB-CE1 4.09Å; A161-Y255 HydrophobicContact CB-CE2 4.02Å; A161-Y255 PolarHBondContact N-OH 3.01Å
162S96.8Very high94.7Very high39 Ų3966.6 Ų66.627%0.27333%0.327SS..  trans-67149.1176.3710000110.2H164 L165 L166 E251S162-H164 PolarHBondContact O-N 3.17Å; S162-L165 PolarHBondContact O-N 2.97Å; S162-L165 VanDerWaalsContact OG-CB 3.23Å; S162-L165 WeakPolarHBondContact OG-CB 3.31Å; S162-L165 PolarHBondContact OG-N 2.92Å; S162-L165 VanDerWaalsContact OG-N 3.07Å; S162-L166 WeakPolarHBondContact O-CG 3.29Å; S162-L166 PolarHBondContact O-N 2.84Å; S162-E251 PolarHBondContact OG-OE1 3.01Å
163P96.4Very high94.9Very high109 Ų10968 Ų6871%0.70834%0.34SS*.Hα-helixtrans-54.4-36.7174.5-27.535.3000112.7L166 E167P163-L166 PolarHBondContact O-N 3.35Å; P163-E167 WeakPolarHBondContact O-CB 3.21Å; P163-E167 PolarHBondContact O-N 2.68Å
164H97.4Very high95.8Very high105 Ų10563.2 Ų63.249%0.48631%0.31SS..Hα-helixtrans-62.5-46175.2179.959.4000112.2S162 L166 E167 A168S162-H164 PolarHBondContact O-N 3.17Å; H164-L166 VanDerWaalsContact C-N 3.32Å; H164-L166 PolarHBondContact O-N 2.67Å; H164-E167 PolarHBondContact O-N 3.36Å; H164-A168 WeakPolarHBondContact O-CB 3.47Å; H164-A168 PolarHBondContact O-N 3.48Å
165L97.5Very high96.8Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-64.5-38.5178.4-171.862.6000112A161 S162 E167 A168 M169 A248 E251 M252 Y255A161-L165 HydrophobicContact CB-CD2 4.23Å; S162-L165 PolarHBondContact O-N 2.97Å; S162-L165 VanDerWaalsContact OG-CB 3.23Å; S162-L165 WeakPolarHBondContact OG-CB 3.31Å; S162-L165 PolarHBondContact OG-N 2.92Å; S162-L165 VanDerWaalsContact OG-N 3.07Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-A168 PolarHBondContact O-N 3.01Å; L165-M169 WeakPolarHBondContact O-CG 3.29Å; L165-M169 PolarHBondContact O-N 3.48Å; L165-A248 WeakPolarHBondContact CD1-O 3.49Å; L165-E251 HydrophobicContact CD1-CB 4.25Å; L165-E251 HydrophobicContact CD1-CG 4.26Å; L165-E251 HydrophobicContact CD2-CG 4.33Å; L165-M252 HydrophobicContact CD1-CB 3.97Å; L165-M252 HydrophobicContact CD1-CE 3.91Å; L165-M252 HydrophobicContact CD2-CE 4.21Å; L165-M252 HydrophobicContact CD2-SD 4.23Å; L165-M252 HydrophobicContact CG-CE 3.77Å; L165-M252 HydrophobicContact CG-SD 4.41Å; L165-Y255 HydrophobicContact CD2-CD1 4.29Å; L165-Y255 HydrophobicContact CD2-CD2 4.46Å; L165-Y255 HydrophobicContact CD2-CG 3.95Å
166L96.9Very high97Very high42 Ų4253.5 Ų53.522%0.2227%0.267CS..Hα-helixtrans-65.8-34.3175.2-67.8179.6000112.8F152 F158 A161 S162 P163 H164 M169 Q170F152-L166 HydrophobicContact CE1-CD2 3.85Å; F152-L166 HydrophobicContact CZ-CD2 3.64Å; F158-L166 HydrophobicContact CB-CD2 4.07Å; A161-L166 HydrophobicContact CB-CD2 3.74Å; A161-L166 HydrophobicContact CB-CG 3.91Å; S162-L166 WeakPolarHBondContact O-CG 3.29Å; S162-L166 PolarHBondContact O-N 2.84Å; P163-L166 PolarHBondContact O-N 3.35Å; H164-L166 VanDerWaalsContact C-N 3.32Å; H164-L166 PolarHBondContact O-N 2.67Å; L166-M169 HydrophobicContact CD2-SD 4.05Å; L166-M169 WeakPolarHBondContact O-CG 3.28Å; L166-Q170 PolarHBondContact O-NE2 2.9Å
167E97.7Very high97.2Very high86 Ų8650.7 Ų50.740%0.40226%0.256SS..Hα-helixtrans-72.9-45.8173.2-175.3-177.6175.600111.1P163 H164 L165 M169 Q170 R171P163-E167 WeakPolarHBondContact O-CB 3.21Å; P163-E167 PolarHBondContact O-N 2.68Å; H164-E167 PolarHBondContact O-N 3.36Å; L165-E167 VanDerWaalsContact C-N 3.33Å; E167-M169 VanDerWaalsContact C-N 3.35Å; E167-M169 PolarHBondContact O-N 3.36Å; E167-Q170 WeakPolarHBondContact O-CB 3.46Å; E167-Q170 PolarHBondContact O-N 2.98Å; E167-R171 PolarHBondContact O-N 2.83Å; E167-R171 IonicContact OE1-CZ 3.89Å; E167-R171 VanDerWaalsContact OE1-CZ 3.23Å; E167-R171 IonicContact OE1-NE 3.45Å; E167-R171 IonicContact OE1-NH1 3.93Å; E167-R171 PolarHBondContact OE1-NH1 3.05Å
168A98.3Very high97.2Very high3 Ų352.4 Ų52.43%0.02526%0.264CS..Hα-helixtrans-60.8-42.1-178.200000111.7H164 L165 Q170 R171 E172 L174 A248H164-A168 WeakPolarHBondContact O-CB 3.47Å; H164-A168 PolarHBondContact O-N 3.48Å; L165-A168 PolarHBondContact O-N 3.01Å; A168-Q170 PolarHBondContact O-N 2.87Å; A168-Q170 VanDerWaalsContact O-N 3.08Å; A168-R171 PolarHBondContact O-N 3.34Å; A168-R171 VanDerWaalsContact O-N 3.09Å; A168-E172 WeakPolarHBondContact O-CA 3.46Å; A168-E172 WeakPolarHBondContact O-CB 3.28Å; A168-E172 PolarHBondContact O-N 2.86Å; A168-L174 HydrophobicContact CB-CD1 4.15Å; A168-A248 HydrophobicContact CB-CB 3.57Å
169M97.2Very high97.2Very high0 Ų052.4 Ų52.40%026%0.264CS..Hα-helixtrans-59.8-23.5177.565.3173.6-89.500113.9L146 P148 F152 F158 L165 L166 E167 L174 T201 M252L146-M169 HydrophobicContact CB-CB 4.27Å; L146-M169 HydrophobicContact CB-CE 3.74Å; L146-M169 HydrophobicContact CD1-CB 4.29Å; L146-M169 PolarHBondContact N-O 2.96Å; P148-M169 HydrophobicContact CG-CE 4.28Å; F152-M169 HydrophobicContact CE2-CE 3.73Å; F152-M169 HydrophobicContact CE2-SD 4.31Å; F152-M169 HydrophobicContact CZ-CE 3.91Å; F152-M169 HydrophobicContact CZ-SD 3.96Å; F158-M169 HydrophobicContact CD1-SD 4.44Å; F158-M169 HydrophobicContact CE1-SD 4.35Å; L165-M169 WeakPolarHBondContact O-CG 3.29Å; L165-M169 PolarHBondContact O-N 3.48Å; L166-M169 HydrophobicContact CD2-SD 4.05Å; L166-M169 WeakPolarHBondContact O-CG 3.28Å; E167-M169 VanDerWaalsContact C-N 3.35Å; E167-M169 PolarHBondContact O-N 3.36Å; M169-L174 HydrophobicContact CB-CD1 4.18Å; M169-T201 HydrophobicContact CE-CG2 3.55Å; M169-M252 HydrophobicContact CB-CE 3.78Å; M169-M252 HydrophobicContact CG-CE 4.42Å; M169-M252 HydrophobicContact SD-CE 4.24Å
170Q97.8Very high97.2Very high91 Ų9147.1 Ų47.143%0.42525%0.248SC..Hα-helixtrans-89.6-21.8179.3-65.7177.871.800113.4I145 P148 L166 E167 A168I145-Q170 WeakPolarHBondContact CD1-O 3.26Å; P148-Q170 HydrophobicContact CG-CG 3.88Å; L166-Q170 PolarHBondContact O-NE2 2.9Å; E167-Q170 WeakPolarHBondContact O-CB 3.46Å; E167-Q170 PolarHBondContact O-N 2.98Å; A168-Q170 PolarHBondContact O-N 2.87Å; A168-Q170 VanDerWaalsContact O-N 3.08Å
171R97.9Very high97.3Very high186 Ų18648.2 Ų48.270%0.70224%0.236SC*.Hα-helixtrans-116.3-29.3-169.9-65.9-176.2173.5-170.8-7.9113.3E167 A168E167-R171 PolarHBondContact O-N 2.83Å; E167-R171 IonicContact OE1-CZ 3.89Å; E167-R171 VanDerWaalsContact OE1-CZ 3.23Å; E167-R171 IonicContact OE1-NE 3.45Å; E167-R171 IonicContact OE1-NH1 3.93Å; E167-R171 PolarHBondContact OE1-NH1 3.05Å; A168-R171 PolarHBondContact O-N 3.34Å; A168-R171 VanDerWaalsContact O-N 3.09Å
172E98.1Very high97.3Very high66 Ų6647.8 Ų47.831%0.30823%0.232SC..SBendtrans-106.9141.8-178.1-65.1-179.7-145.600110.6I145 A168 L174 S246I145-E172 WeakPolarHBondContact CG2-O 3.17Å; A168-E172 WeakPolarHBondContact O-CA 3.46Å; A168-E172 WeakPolarHBondContact O-CB 3.28Å; A168-E172 PolarHBondContact O-N 2.86Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 HydrophobicContact CB-CD2 3.54Å; E172-L174 HydrophobicContact CB-CG 4.02Å; E172-L174 WeakPolarHBondContact O-CG 2.98Å; E172-L174 PolarHBondContact O-N 3.39Å; E172-S246 PolarHBondContact OE2-OG 3.29Å
173P97.8Very high97.4Very high61 Ų6145.9 Ų45.940%0.39622%0.219SC..  trans-74.789.4176.634.8-36.8000108.5L143 L144 S244L143-P173 HydrophobicContact CB-CB 4.36Å; L143-P173 HydrophobicContact CD2-CB 4.02Å; L143-P173 HydrophobicContact CD2-CG 4.05Å; L143-P173 VanDerWaalsContact CD2-O 3.26Å; L143-P173 WeakPolarHBondContact CD2-O 3.48Å; L143-P173 HydrophobicContact CG-CB 3.8Å; L143-P173 HydrophobicContact CG-CG 4.39Å; L143-P173 WeakPolarHBondContact CG-O 3.39Å; L143-P173 WeakPolarHBondContact O-CB 3.29Å; L144-P173 CarbonylContact O-C 3.52Å; P173-S244 WeakPolarHBondContact O-CB 3.29Å
174L98Very high97.4Very high0 Ų041.4 Ų41.40%019%0.19CC..  trans-97.1-17.6-175.3-56.4-169000113.5L144 A168 M169 E172 P176 N233 A248 A249L144-L174 PolarHBondContact O-N 2.83Å; A168-L174 HydrophobicContact CB-CD1 4.15Å; M169-L174 HydrophobicContact CB-CD1 4.18Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 HydrophobicContact CB-CD2 3.54Å; E172-L174 HydrophobicContact CB-CG 4.02Å; E172-L174 WeakPolarHBondContact O-CG 2.98Å; E172-L174 PolarHBondContact O-N 3.39Å; L174-P176 VanDerWaalsContact O-CD 3.32Å; L174-P176 WeakPolarHBondContact O-CD 3.49Å; L174-N233 PolarHBondContact O-ND2 3.32Å; L174-A248 HydrophobicContact CD1-CB 4.02Å; L174-A248 HydrophobicContact CD2-CB 3.97Å; L174-A249 HydrophobicContact CD2-CB 4Å
175A98.6Very high97.4Very high0 Ų041.5 Ų41.50%019%0.19CC..EExtended strand (participates in β ladder)trans-109.5103.3-166.400000111.9L144 L146 N177 W228L144-A175 PolarHBondContact N-O 3.36Å; L144-A175 WeakPolarHBondContact O-CB 3.13Å; L144-A175 PolarHBondContact O-N 3.28Å; L146-A175 HydrophobicContact CD1-CB 4.38Å; L146-A175 HydrophobicContact CD2-CB 3.83Å; L146-A175 HydrophobicContact CG-CB 4Å; A175-N177 PolarHBondContact O-N 3.33Å; A175-N177 PolarHBondContact O-ND2 2.62Å; A175-W228 HydrophobicContact CB-CB 3.83Å; A175-W228 HydrophobicContact CB-CD2 3.64Å; A175-W228 HydrophobicContact CB-CE3 3.65Å; A175-W228 HydrophobicContact CB-CG 3.72Å; A175-W228 HydrophobicContact CB-CZ3 4.4Å
176P98.5Very high97.4Very high0 Ų048.2 Ų48.20%022%0.222CC..EExtended strand (participates in β ladder)trans-71.4127.7173.3-14.629.6000110.6L143 L174 F178 W228 H229 N233 L243L143-P176 HydrophobicContact CD1-CB 4.23Å; L143-P176 HydrophobicContact CD1-CG 3.78Å; L174-P176 VanDerWaalsContact O-CD 3.32Å; L174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-F178 HydrophobicContact CB-CD2 4.15Å; P176-F178 HydrophobicContact CB-CE2 3.57Å; P176-W228 WeakPolarHBondContact O-CA 3.48Å; P176-W228 WeakPolarHBondContact O-CB 3.4Å; P176-H229 HydrophobicContact CB-CB 4.46Å; P176-H229 WeakPolarHBondContact CD-O 3.36Å; P176-H229 PolarHBondContact O-N 2.91Å; P176-N233 WeakPolarHBondContact CG-OD1 3.43Å; P176-L243 HydrophobicContact CB-CD2 3.83Å; P176-L243 HydrophobicContact CG-CD2 3.83Å
177N98.5Very high97.4Very high0 Ų047.1 Ų47.10%022%0.217CC..EExtended strand (participates in β ladder)trans-115.2127.5-178.7-75-98.7000110.5V139 N141 E142 L144 A175 H179 F212V139-N177 HydrophobicContact CG1-CB 3.67Å; N141-N177 PolarHBondContact N-O 2.8Å; E142-N177 PolarHBondContact N-O 3.29Å; E142-N177 PolarHBondContact O-N 2.88Å; L144-N177 HydrophobicContact CD1-CB 4.42Å; A175-N177 PolarHBondContact O-N 3.33Å; A175-N177 PolarHBondContact O-ND2 2.62Å; N177-H179 PolarHBondContact OD1-NE2 3.14Å; N177-F212 WeakPolarHBondContact OD1-CE2 3.26Å; N177-F212 WeakPolarHBondContact OD1-CZ 3.47Å
178F97.3Very high97.3Very high36 Ų3643.3 Ų43.316%0.15820%0.199CC..EExtended strand (participates in β ladder)trans-142.249.2-174.2-67.2-85.6000111.5Q140 N141 P176 H229 K232 L241 L243Q140-F178 PolarHBondContact NE2-O 2.91Å; N141-F178 VanDerWaalsContact CA-CE1 3.48Å; N141-F178 HydrophobicContact CB-CD1 4.36Å; N141-F178 HydrophobicContact CB-CE1 3.76Å; N141-F178 HydrophobicContact CB-CZ 4.46Å; N141-F178 WeakPolarHBondContact OD1-CE1 3.48Å; N141-F178 VanDerWaalsContact OD1-CZ 3.27Å; N141-F178 WeakPolarHBondContact OD1-CZ 3.14Å; P176-F178 HydrophobicContact CB-CD2 4.15Å; P176-F178 HydrophobicContact CB-CE2 3.57Å; F178-H229 AromaticContact CD2-CD2 3.99Å; F178-K232 HydrophobicContact CD2-CD 3.85Å; F178-K232 HydrophobicContact CE2-CD 3.73Å; F178-L241 HydrophobicContact CE1-CD2 3.65Å; F178-L241 HydrophobicContact CZ-CB 4.39Å; F178-L241 HydrophobicContact CZ-CD2 3.74Å; F178-L243 HydrophobicContact CE2-CD2 4.16Å; F178-L243 HydrophobicContact CZ-CD2 4.35Å
179H95.7Very high97.2Very high4 Ų448 Ų482%0.01922%0.223CC..  trans-124.6152.1-173.85079.3000112.7D138 V139 Q140 N177 W181 C182 F212 A227D138-H179 CarbonylContact C-O 3.52Å; V139-H179 CarbonylContact C-O 3.48Å; V139-H179 PolarHBondContact N-O 2.93Å; V139-H179 PolarHBondContact O-N 2.76Å; Q140-H179 PolarHBondContact NE2-O 2.84Å; N177-H179 PolarHBondContact OD1-NE2 3.14Å; H179-W181 PolarHBondContact ND1-O 2.84Å; H179-C182 PolarHBondContact CE1-SG 3.39Å; H179-F212 AromaticContact CE1-CE2 3.52Å; H179-F212 AromaticContact CE1-CZ 3.59Å; H179-F212 AromaticContact NE2-CE2 3.46Å; H179-F212 WeakPolarHBondContact NE2-CE2 3.39Å; H179-F212 AromaticContact NE2-CZ 3.63Å; H179-A227 PolarHBondContact CD2-O 3.23Å; H179-A227 VanDerWaalsContact CD2-O 3.27Å
180Q94.8Very high97.1Very high97 Ų9754.8 Ų54.845%0.45326%0.258SS..SBendtrans-97-21.5175.7-69.4-177.8-2600111.6K136 C137 D138K136-Q180 WeakPolarHBondContact CA-O 3.39Å; C137-Q180 PolarHBondContact N-O 3.13Å; D138-Q180 PolarHBondContact N-O 2.93Å; D138-Q180 VanDerWaalsContact N-O 3.15Å
181W95.4Very high97Very high76 Ų7651.5 Ų51.529%0.28825%0.246SC..EExtended strand (participates in β ladder)trans-119.8135.8-172.9-56.4102.1000109.7L134 E135 K136 C137 H179L134-W181 HydrophobicContact CB-CB 4.3Å; L134-W181 HydrophobicContact CD1-CB 4.41Å; E135-W181 CarbonylContact O-C 3.56Å; E135-W181 WeakPolarHBondContact O-CA 3.28Å; K136-W181 HydrophobicContact CB-CE3 4.08Å; K136-W181 HydrophobicContact CB-CH2 4.38Å; K136-W181 HydrophobicContact CB-CZ3 3.8Å; C137-W181 VanDerWaalsContact SG-C 3.53Å; H179-W181 PolarHBondContact ND1-O 2.84Å
182C97.3Very high96.8Very high2 Ų244.4 Ų44.41%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-124.7156178.3-71.70000109.5L134 E135 C137 H179 F212L134-C182 CarbonylContact C-O 3.53Å; L134-C182 WeakPolarHBondContact CA-O 3.25Å; E135-C182 WeakPolarHBondContact CG-O 3.36Å; E135-C182 PolarHBondContact N-O 2.82Å; E135-C182 PolarHBondContact O-N 2.82Å; C137-C182 HydrophobicContact CB-CB 3.63Å; C137-C182 WeakPolarHBondContact CB-SG 3.29Å; C137-C182 WeakPolarHBondContact SG-CB 3.25Å; C137-C182 PolarHBondContact SG-N 2.87Å; C137-C182 VanDerWaalsContact SG-N 3.37Å; C137-C182 CovalentContact SG-SG 2.03Å; C137-C182 PolarHBondContact SG-SG 2.88Å; H179-C182 PolarHBondContact CE1-SG 3.39Å; C182-F212 HydrophobicContact CB-CB 3.73Å; C182-F212 HydrophobicContact CB-CG 4.18Å
183A97.8Very high96.8Very high0 Ų041.2 Ų41.20%022%0.216CC..  trans-110.9129.1160.500000108.6L124 V133 L134 F212 I213L124-A183 HydrophobicContact CD1-CB 3.51Å; V133-A183 HydrophobicContact CG2-CB 4.23Å; L134-A183 HydrophobicContact CD2-CB 4.43Å; A183-F212 CarbonylContact O-C 3.59Å; A183-F212 WeakPolarHBondContact O-CA 3.24Å; A183-F212 WeakPolarHBondContact O-CB 3.43Å; A183-I213 HydrophobicContact CB-CD1 4.46Å; A183-I213 PolarHBondContact O-N 2.79Å
184T97.8Very high96.6Very high15 Ų1542.4 Ų42.49%0.09222%0.218CC..  trans-94.1163.7173.156.10000110.1E135 E186 T187 F188 V210E135-T184 HydrophobicContact CG-CG2 4.3Å; E135-T184 WeakPolarHBondContact OE1-CG2 3.44Å; E135-T184 PolarHBondContact OE2-OG1 3.26Å; T184-E186 PolarHBondContact O-N 3.33Å; T184-T187 PolarHBondContact N-OG1 2.98Å; T184-T187 PolarHBondContact O-N 3.32Å; T184-T187 PolarHBondContact O-OG1 2.79Å; T184-T187 VanDerWaalsContact O-OG1 3.05Å; T184-T187 WeakPolarHBondContact OG1-CG2 3.28Å; T184-T187 PolarHBondContact OG1-N 2.8Å; T184-T187 PolarHBondContact OG1-OG1 3.2Å; T184-F188 WeakPolarHBondContact O-CB 3.07Å; T184-F188 PolarHBondContact O-N 2.91Å; T184-V210 HydrophobicContact CG2-CG2 4.46Å
185E97.2Very high96.5Very high106 Ų10645.1 Ų45.150%0.49525%0.246SC..Hα-helixtrans-59.8-32.4173.5-66.5-172.3111.700112L189 L202 I213E185-L189 WeakPolarHBondContact O-CB 3.12Å; E185-L189 PolarHBondContact O-N 3.48Å; E185-L202 HydrophobicContact CG-CD2 4.03Å; E185-I213 HydrophobicContact CG-CG1 4.3Å
186E96.3Very high96.4Very high141 Ų14147.3 Ų47.366%0.65926%0.258SS*.Hα-helixtrans-66.6-56.7176.7-178.4175.2-174.600112.2T184 F188 L189 L190T184-E186 PolarHBondContact O-N 3.33Å; E186-F188 PolarHBondContact O-N 2.84Å; E186-L189 PolarHBondContact O-N 3.23Å; E186-L190 HydrophobicContact CG-CD1 4.02Å; E186-L190 WeakPolarHBondContact O-CG 3.39Å; E186-L190 PolarHBondContact O-N 3.15Å
187T96.8Very high96.4Very high19 Ų1947.4 Ų47.412%0.11726%0.258CS..Hα-helixtrans-60-34.6177.750.60000112.2V133 E135 T184 S191V133-T187 WeakPolarHBondContact O-CB 3.26Å; V133-T187 PolarHBondContact O-OG1 2.72Å; E135-T187 WeakPolarHBondContact OE2-CG2 3.13Å; T184-T187 PolarHBondContact N-OG1 2.98Å; T184-T187 PolarHBondContact O-N 3.32Å; T184-T187 PolarHBondContact O-OG1 2.79Å; T184-T187 VanDerWaalsContact O-OG1 3.05Å; T184-T187 WeakPolarHBondContact OG1-CG2 3.28Å; T184-T187 PolarHBondContact OG1-N 2.8Å; T184-T187 PolarHBondContact OG1-OG1 3.2Å; T187-S191 WeakPolarHBondContact O-CB 3.18Å; T187-S191 PolarHBondContact O-N 3.18Å; T187-S191 PolarHBondContact O-OG 2.98Å
188F97.1Very high96.3Very high7 Ų748.7 Ų48.73%0.03127%0.267CS..Hα-helixtrans-68.4-40.1176.8-172-95.1000113L124 T184 E186 S191 L193 D194 F197 T199 I213 I216L124-F188 HydrophobicContact CD2-CD2 4.05Å; L124-F188 HydrophobicContact CD2-CE2 3.79Å; T184-F188 WeakPolarHBondContact O-CB 3.07Å; T184-F188 PolarHBondContact O-N 2.91Å; E186-F188 PolarHBondContact O-N 2.84Å; F188-S191 WeakPolarHBondContact CA-OG 3.47Å; F188-S191 PolarHBondContact O-OG 3.41Å; F188-L193 HydrophobicContact CD1-CB 4.19Å; F188-L193 HydrophobicContact CD2-CB 3.66Å; F188-L193 HydrophobicContact CD2-CD1 3.82Å; F188-L193 HydrophobicContact CD2-CG 4.41Å; F188-L193 HydrophobicContact CE1-CB 4.07Å; F188-L193 HydrophobicContact CE2-CB 3.5Å; F188-L193 VanDerWaalsContact CE2-CB 3.5Å; F188-L193 HydrophobicContact CE2-CD1 3.88Å; F188-L193 HydrophobicContact CE2-CG 4.38Å; F188-L193 HydrophobicContact CG-CB 4.02Å; F188-L193 HydrophobicContact CZ-CB 3.74Å; F188-L193 PolarHBondContact O-N 3.2Å; F188-L193 VanDerWaalsContact O-N 3.12Å; F188-D194 HydrophobicContact CD1-CB 4.18Å; F188-D194 HydrophobicContact CE1-CB 4.08Å; F188-F197 HydrophobicContact CE2-CB 4.37Å; F188-F197 HydrophobicContact CZ-CB 3.83Å; F188-T199 HydrophobicContact CD1-CG2 3.89Å; F188-T199 HydrophobicContact CE1-CG2 3.52Å; F188-T199 HydrophobicContact CE2-CG2 4.31Å; F188-T199 HydrophobicContact CG-CG2 4.39Å; F188-T199 HydrophobicContact CZ-CG2 3.74Å; F188-I213 HydrophobicContact CB-CD1 3.47Å; F188-I213 VanDerWaalsContact CB-CD1 3.47Å; F188-I213 HydrophobicContact CD1-CD1 4.15Å; F188-I213 HydrophobicContact CD2-CD1 3.67Å; F188-I213 HydrophobicContact CE2-CD1 4.37Å; F188-I213 HydrophobicContact CG-CD1 3.53Å; F188-I216 HydrophobicContact CE2-CG2 4.3Å
189L95.3Very high96.4Very high102 Ų10247.4 Ų47.453%0.53426%0.262SS..Hα-helixtrans-67.3-47.4172.9177.763.9000111.5E185 E186 S191 G192 D194E185-L189 WeakPolarHBondContact O-CB 3.12Å; E185-L189 PolarHBondContact O-N 3.48Å; E186-L189 PolarHBondContact O-N 3.23Å; L189-S191 PolarHBondContact O-N 3.45Å; L189-G192 PolarHBondContact O-N 3.27Å; L189-D194 HydrophobicContact CD1-CB 4.31Å; L189-D194 WeakPolarHBondContact CD1-OD2 3.28Å
190L95.2Very high96.5Very high141 Ų14147.2 Ų47.274%0.73826%0.261SS*.Hα-helixtrans-62.8-29.3-178.7-71174000112.9E186 G192E186-L190 HydrophobicContact CG-CD1 4.02Å; E186-L190 WeakPolarHBondContact O-CG 3.39Å; E186-L190 PolarHBondContact O-N 3.15Å; L190-G192 VanDerWaalsContact C-N 3.29Å
191S95.5Very high96.7Very high22 Ų2242.6 Ų42.615%0.15424%0.24CC..THydrogen-bonded Turntrans-82.9-1.5175.2570000114.2S131 V133 T187 F188 L189 L193S131-S191 WeakPolarHBondContact OG-CB 3.28Å; V133-S191 WeakPolarHBondContact CG2-OG 3.46Å; T187-S191 WeakPolarHBondContact O-CB 3.18Å; T187-S191 PolarHBondContact O-N 3.18Å; T187-S191 PolarHBondContact O-OG 2.98Å; F188-S191 WeakPolarHBondContact CA-OG 3.47Å; F188-S191 PolarHBondContact O-OG 3.41Å; L189-S191 PolarHBondContact O-N 3.45Å; S191-L193 PolarHBondContact O-N 3.23Å
192G94.9Very high96.8Very high37 Ų3740.2 Ų40.238%0.38123%0.233SC..THydrogen-bonded Turntrans70.616.5-179.700000114.4L189 L190 D194L189-G192 PolarHBondContact O-N 3.27Å; L190-G192 VanDerWaalsContact C-N 3.29Å; G192-D194 VanDerWaalsContact C-N 3.3Å
193L97Very high96.9Very high0 Ų040.2 Ų40.20%023%0.232CC..G310 helixtrans-77.2-15.9-179.3-71.7-173000113.3L124 F127 V133 F188 S191 G195 I196 F197L124-L193 HydrophobicContact CB-CD1 4.03Å; L124-L193 HydrophobicContact CD2-CD1 3.49Å; L124-L193 VanDerWaalsContact CD2-CD1 3.49Å; L124-L193 HydrophobicContact CG-CD1 4.34Å; F127-L193 HydrophobicContact CB-CD2 3.8Å; V133-L193 HydrophobicContact CB-CD1 4.47Å; V133-L193 HydrophobicContact CG2-CD1 3.72Å; F188-L193 HydrophobicContact CD1-CB 4.19Å; F188-L193 HydrophobicContact CD2-CB 3.66Å; F188-L193 HydrophobicContact CD2-CD1 3.82Å; F188-L193 HydrophobicContact CD2-CG 4.41Å; F188-L193 HydrophobicContact CE1-CB 4.07Å; F188-L193 HydrophobicContact CE2-CB 3.5Å; F188-L193 VanDerWaalsContact CE2-CB 3.5Å; F188-L193 HydrophobicContact CE2-CD1 3.88Å; F188-L193 HydrophobicContact CE2-CG 4.38Å; F188-L193 HydrophobicContact CG-CB 4.02Å; F188-L193 HydrophobicContact CZ-CB 3.74Å; F188-L193 PolarHBondContact O-N 3.2Å; F188-L193 VanDerWaalsContact O-N 3.12Å; S191-L193 PolarHBondContact O-N 3.23Å; L193-G195 PolarHBondContact O-N 3.02Å; L193-I196 HydrophobicContact CD2-CD1 4.05Å; L193-I196 WeakPolarHBondContact O-CA 3.37Å; L193-I196 PolarHBondContact O-N 3.22Å; L193-F197 HydrophobicContact CD2-CD2 4.28Å; L193-F197 HydrophobicContact CD2-CE2 4.27Å; L193-F197 PolarHBondContact O-N 3.41Å
194D94.9Very high96.9Very high85 Ų8546.1 Ų46.146%0.45526%0.255SS..G310 helixtrans-62.9-27.7176.569.5-49.8000113.2F188 L189 G192 I196F188-D194 HydrophobicContact CD1-CB 4.18Å; F188-D194 HydrophobicContact CE1-CB 4.08Å; L189-D194 HydrophobicContact CD1-CB 4.31Å; L189-D194 WeakPolarHBondContact CD1-OD2 3.28Å; G192-D194 VanDerWaalsContact C-N 3.3Å; D194-I196 VanDerWaalsContact C-N 3.33Å
195G94.6Very high96.9Very high57 Ų5745.4 Ų45.459%0.58825%0.25SS*.G310 helixtrans-75.5-17.6168.900000114.5L193 N219L193-G195 PolarHBondContact O-N 3.02Å; G195-N219 VanDerWaalsContact C-ND2 3.34Å; G195-N219 PolarHBondContact O-ND2 3.04Å
196I96.8Very high97Very high47 Ų4745 Ų4524%0.24125%0.252CS..THydrogen-bonded Turntrans-106.3-44.4-169.5-59.5176.2000111.6F127 L193 D194 N219F127-I196 HydrophobicContact CB-CD1 4.49Å; F127-I196 HydrophobicContact CB-CG2 4.34Å; F127-I196 HydrophobicContact CD1-CG2 3.7Å; F127-I196 HydrophobicContact CE1-CG2 4.45Å; F127-I196 HydrophobicContact CG-CG2 4.32Å; L193-I196 HydrophobicContact CD2-CD1 4.05Å; L193-I196 WeakPolarHBondContact O-CA 3.37Å; L193-I196 PolarHBondContact O-N 3.22Å; D194-I196 VanDerWaalsContact C-N 3.33Å; I196-N219 VanDerWaalsContact C-ND2 3.34Å; I196-N219 WeakPolarHBondContact O-CB 3.35Å; I196-N219 VanDerWaalsContact O-CG 3.31Å; I196-N219 PolarHBondContact O-N 3.07Å; I196-N219 PolarHBondContact O-ND2 3.4Å
197F97.7Very high97Very high2 Ų245.7 Ų45.71%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-123.9146.9179.5-59.3-97.5000111.3L123 F127 F188 L193 I216 E217 H218 F223L123-F197 HydrophobicContact CD2-CZ 4.44Å; F127-F197 HydrophobicContact CB-CE2 3.61Å; F127-F197 HydrophobicContact CB-CZ 4.19Å; F127-F197 HydrophobicContact CD1-CE2 4.14Å; F127-F197 HydrophobicContact CD1-CZ 4.2Å; F127-F197 HydrophobicContact CD2-CE2 4.09Å; F127-F197 AromaticContact CD2-CZ 3.75Å; F127-F197 HydrophobicContact CD2-CZ 3.75Å; F127-F197 HydrophobicContact CE2-CZ 4.15Å; F127-F197 AromaticContact CG-CE2 3.68Å; F127-F197 HydrophobicContact CG-CE2 3.68Å; F127-F197 AromaticContact CG-CZ 3.77Å; F127-F197 HydrophobicContact CG-CZ 3.77Å; F188-F197 HydrophobicContact CE2-CB 4.37Å; F188-F197 HydrophobicContact CZ-CB 3.83Å; L193-F197 HydrophobicContact CD2-CD2 4.28Å; L193-F197 HydrophobicContact CD2-CE2 4.27Å; L193-F197 PolarHBondContact O-N 3.41Å; F197-I216 HydrophobicContact CB-CB 4.28Å; F197-I216 HydrophobicContact CD1-CB 4.49Å; F197-I216 HydrophobicContact CD1-CD1 3.88Å; F197-I216 HydrophobicContact CD1-CG1 4.28Å; F197-I216 HydrophobicContact CE1-CD1 4.19Å; F197-I216 HydrophobicContact CG-CD1 4.18Å; F197-E217 CarbonylContact C-O 3.37Å; F197-E217 VanDerWaalsContact CA-O 3.31Å; F197-E217 WeakPolarHBondContact CA-O 3.4Å; F197-H218 HydrophobicContact CD1-CB 3.62Å; F197-H218 HydrophobicContact CE1-CB 3.59Å; F197-H218 AromaticContact CE1-CD2 3.89Å; F197-H218 HydrophobicContact CG-CB 4.49Å; F197-H218 HydrophobicContact CZ-CB 4.46Å; F197-H218 AromaticContact CZ-CD2 3.89Å; F197-F223 HydrophobicContact CE1-CB 4.41Å
198S97.7Very high97Very high26 Ų2648.7 Ų48.718%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-89.6128.6167.2-70.40000109.2L200 I216 E217 N219S198-L200 PolarHBondContact O-N 3.12Å; S198-I216 VanDerWaalsContact O-CA 3.28Å; S198-I216 WeakPolarHBondContact O-CA 3.17Å; S198-E217 PolarHBondContact N-O 3.47Å; S198-E217 PolarHBondContact O-N 2.93Å; S198-E217 VanDerWaalsContact O-N 3.07Å; S198-N219 PolarHBondContact N-OD1 2.83Å; S198-N219 PolarHBondContact OG-OD1 2.86Å
199T97.8Very high97Very high9 Ų955.8 Ų55.86%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-77.9114.8170.756.60000108.4T149 F188 I213 I216T149-T199 WeakPolarHBondContact CB-O 3.35Å; T149-T199 WeakPolarHBondContact CG2-O 3.37Å; T149-T199 PolarHBondContact OG1-O 3.2Å; F188-T199 HydrophobicContact CD1-CG2 3.89Å; F188-T199 HydrophobicContact CE1-CG2 3.52Å; F188-T199 HydrophobicContact CE2-CG2 4.31Å; F188-T199 HydrophobicContact CG-CG2 4.39Å; F188-T199 HydrophobicContact CZ-CG2 3.74Å; T199-I213 HydrophobicContact CG2-CD1 3.53Å; T199-I213 HydrophobicContact CG2-CG1 3.81Å; T199-I213 HydrophobicContact CG2-CG2 3.93Å; T199-I216 HydrophobicContact CG2-CG2 4.38Å
200L98.3Very high97.1Very high0 Ų051.8 Ų51.80%027%0.274CS..EExtended strand (participates in β ladder)trans-90.2-43.7-175.3-58.7-169.1000112.1T149 F152 N155 M157 F158 S198 T215 E217T149-L200 PolarHBondContact N-O 3.09Å; T149-L200 PolarHBondContact OG1-O 3.23Å; F152-L200 HydrophobicContact CD2-CB 4.29Å; F152-L200 WeakPolarHBondContact CD2-O 3.47Å; N155-L200 HydrophobicContact CB-CD1 3.74Å; N155-L200 HydrophobicContact CB-CD2 3.42Å; N155-L200 VanDerWaalsContact CB-CD2 3.42Å; N155-L200 HydrophobicContact CB-CG 4.22Å; M157-L200 HydrophobicContact CB-CD1 3.8Å; M157-L200 HydrophobicContact SD-CD1 4.45Å; F158-L200 HydrophobicContact CD2-CD1 4.07Å; F158-L200 HydrophobicContact CE2-CD1 4.16Å; S198-L200 PolarHBondContact O-N 3.12Å; L200-T215 HydrophobicContact CB-CG2 4.05Å; L200-T215 HydrophobicContact CD1-CG2 4.11Å; L200-T215 HydrophobicContact CG-CG2 4.4Å; L200-T215 PolarHBondContact N-O 3.3Å; L200-E217 HydrophobicContact CD1-CB 4.27Å; L200-E217 HydrophobicContact CD1-CG 3.93Å; L200-E217 HydrophobicContact CD2-CG 4.02Å; L200-E217 HydrophobicContact CG-CG 4.17Å
201T98.7Very high97.3Very high0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-136.4151.1-17966.90000111.1L146 S147 F152 F158 M169 S214 T215L146-T201 HydrophobicContact CB-CG2 4.21Å; S147-T201 CarbonylContact O-C 3.53Å; S147-T201 WeakPolarHBondContact O-CA 3.43Å; F152-T201 HydrophobicContact CD2-CG2 4.06Å; F152-T201 HydrophobicContact CE2-CG2 3.91Å; F158-T201 HydrophobicContact CE2-CG2 4.38Å; M169-T201 HydrophobicContact CE-CG2 3.55Å; T201-S214 VanDerWaalsContact C-OG 3.29Å; T201-S214 WeakPolarHBondContact CB-OG 3.35Å; T201-S214 PolarHBondContact O-N 3.21Å; T201-S214 PolarHBondContact O-OG 3.47Å; T201-S214 PolarHBondContact OG1-OG 3.47Å; T201-T215 PolarHBondContact N-O 2.7Å; T201-T215 PolarHBondContact O-N 3.26Å; T201-T215 WeakPolarHBondContact OG1-CB 3.48Å; T201-T215 PolarHBondContact OG1-N 3.21Å; T201-T215 PolarHBondContact OG1-OG1 2.91Å
202L98.7Very high97.4Very high27 Ų2746.8 Ų46.814%0.14125%0.249CC..EExtended strand (participates in β ladder)trans-109.1156.9166.6-54.5179.5000109.7S147 T149 E185 T211 F212 I213 S214S147-L202 PolarHBondContact N-O 3.21Å; S147-L202 PolarHBondContact O-N 3.42Å; T149-L202 HydrophobicContact CG2-CD2 4.18Å; T149-L202 HydrophobicContact CG2-CG 3.9Å; E185-L202 HydrophobicContact CG-CD2 4.03Å; L202-T211 HydrophobicContact CB-CG2 4.13Å; L202-T211 HydrophobicContact CD1-CG2 4.08Å; L202-F212 CarbonylContact C-O 3.58Å; L202-F212 VanDerWaalsContact CA-O 3.26Å; L202-F212 WeakPolarHBondContact CA-O 3.39Å; L202-I213 HydrophobicContact CD2-CB 4.35Å; L202-I213 HydrophobicContact CD2-CG1 3.86Å; L202-S214 PolarHBondContact O-OG 2.73Å
203S98.7Very high97.6Very high1 Ų145 Ų451%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-128.8152.7164.6-690000109.2I145 T211 F212 S214I145-S203 PolarHBondContact O-OG 3.22Å; S203-T211 WeakPolarHBondContact O-CA 3.32Å; S203-F212 PolarHBondContact N-O 3.27Å; S203-F212 WeakPolarHBondContact O-CD1 3.28Å; S203-F212 PolarHBondContact O-N 2.66Å; S203-S214 PolarHBondContact N-OG 2.75Å; S203-S214 VanDerWaalsContact OG-CB 3.27Å; S203-S214 WeakPolarHBondContact OG-CB 3.46Å; S203-S214 PolarHBondContact OG-OG 2.94Å
204R98.4Very high97.7Very high124 Ų12445 Ų4547%0.46823%0.231SC..EExtended strand (participates in β ladder)trans-124.5125.6179.7178.8-179.6174.485.3-5.2109.6L144 D206 V210 T211L144-R204 WeakPolarHBondContact CD2-O 3.38Å; R204-D206 IonicContact CZ-OD1 3.69Å; R204-D206 IonicContact NE-OD1 2.87Å; R204-D206 PolarHBondContact NE-OD1 3.28Å; R204-D206 IonicContact NH2-OD1 3.71Å; R204-V210 WeakPolarHBondContact CA-O 3.47Å; R204-T211 PolarHBondContact NH1-OG1 3.41Å
205S98.4Very high97.9Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-96.4112.1166.5169.20000109E142 K207 K208 K209 V210E142-S205 WeakPolarHBondContact OE1-CB 3.25Å; E142-S205 PolarHBondContact OE1-OG 3.49Å; E142-S205 PolarHBondContact OE2-OG 3.34Å; S205-K207 PolarHBondContact O-N 3.46Å; S205-K207 PolarHBondContact OG-N 3.33Å; S205-K208 PolarHBondContact O-N 2.91Å; S205-K208 WeakPolarHBondContact OG-CB 3.48Å; S205-K208 WeakPolarHBondContact OG-CG 3.44Å; S205-K208 PolarHBondContact OG-N 2.99Å; S205-K209 WeakPolarHBondContact O-CA 3.14Å; S205-K209 PolarHBondContact O-N 3.17Å; S205-V210 PolarHBondContact N-O 2.8Å; S205-V210 PolarHBondContact O-N 3.31Å
206D97.4Very high98.1Very high99 Ų9938.2 Ų38.253%0.52918%0.181SC..THydrogen-bonded Turntrans-70.5-24.6173.5-74-36.2000112.3R204 K209R204-D206 IonicContact CZ-OD1 3.69Å; R204-D206 IonicContact NE-OD1 2.87Å; R204-D206 PolarHBondContact NE-OD1 3.28Å; R204-D206 IonicContact NH2-OD1 3.71Å; D206-K209 VanDerWaalsContact O-CD 3.23Å; D206-K209 WeakPolarHBondContact O-CD 3.28Å; D206-K209 WeakPolarHBondContact O-CE 3.1Å; D206-K209 PolarHBondContact O-NZ 2.85Å
207K97Very high98.1Very high155 Ų15536.3 Ų36.367%0.67417%0.171SC*.THydrogen-bonded Turntrans-70.6-41.7175.3-177.7179.9178.7-178.80111.5S205S205-K207 PolarHBondContact O-N 3.46Å; S205-K207 PolarHBondContact OG-N 3.33Å
208K97.3Very high98.2Very high82 Ų8236.9 Ų36.936%0.35717%0.173SC..THydrogen-bonded Turntrans-94.9-5.8-178.5-59.8-64178.1142.70113.8C137 D138 V139 S205 V210C137-K208 WeakPolarHBondContact O-CG 3.33Å; D138-K208 VanDerWaalsContact CB-NZ 3.26Å; D138-K208 WeakPolarHBondContact O-CE 3.21Å; D138-K208 PolarHBondContact O-NZ 3.29Å; V139-K208 HydrophobicContact CG2-CB 4.34Å; V139-K208 HydrophobicContact CG2-CG 4.18Å; S205-K208 PolarHBondContact O-N 2.91Å; S205-K208 WeakPolarHBondContact OG-CB 3.48Å; S205-K208 WeakPolarHBondContact OG-CG 3.44Å; S205-K208 PolarHBondContact OG-N 2.99Å; K208-V210 HydrophobicContact CB-CG1 3.79Å; K208-V210 PolarHBondContact O-N 3.21Å
209K97Very high98.1Very high155 Ų15538.9 Ų38.967%0.67418%0.182SC*.THydrogen-bonded Turntrans55.836.4-180-56-61.6-179.8-1560112.6S205 D206S205-K209 WeakPolarHBondContact O-CA 3.14Å; S205-K209 PolarHBondContact O-N 3.17Å; D206-K209 VanDerWaalsContact O-CD 3.23Å; D206-K209 WeakPolarHBondContact O-CD 3.28Å; D206-K209 WeakPolarHBondContact O-CE 3.1Å; D206-K209 PolarHBondContact O-NZ 2.85Å
210V97.9Very high98.1Very high18 Ų1846.3 Ų46.311%0.10921%0.209CC..EExtended strand (participates in β ladder)trans-126.1139.2-177.765.60000110.2C137 V139 T184 R204 S205 K208 F212C137-V210 HydrophobicContact CB-CG1 4.19Å; C137-V210 HydrophobicContact CB-CG2 4.48Å; V139-V210 HydrophobicContact CG2-CG1 3.96Å; T184-V210 HydrophobicContact CG2-CG2 4.46Å; R204-V210 WeakPolarHBondContact CA-O 3.47Å; S205-V210 PolarHBondContact N-O 2.8Å; S205-V210 PolarHBondContact O-N 3.31Å; K208-V210 HydrophobicContact CB-CG1 3.79Å; K208-V210 PolarHBondContact O-N 3.21Å; V210-F212 HydrophobicContact CG1-CD1 4.19Å
211T98.5Very high98.1Very high57 Ų5747 Ų4735%0.3521%0.213SC..EExtended strand (participates in β ladder)trans-111.4127.7166.8-59.60000107.2L202 S203 R204L202-T211 HydrophobicContact CB-CG2 4.13Å; L202-T211 HydrophobicContact CD1-CG2 4.08Å; S203-T211 WeakPolarHBondContact O-CA 3.32Å; R204-T211 PolarHBondContact NH1-OG1 3.41Å
212F98.7Very high98Very high1 Ų147.2 Ų47.20%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-135.9158.4-174.259.9-86.2000111.1V139 L144 N177 H179 C182 A183 L202 S203 V210 S214 A227V139-F212 HydrophobicContact CG1-CE1 4.29Å; V139-F212 HydrophobicContact CG1-CZ 4.27Å; V139-F212 HydrophobicContact CG2-CD1 4.45Å; V139-F212 HydrophobicContact CG2-CE1 3.91Å; L144-F212 HydrophobicContact CD1-CE1 4.11Å; L144-F212 HydrophobicContact CD1-CZ 3.92Å; N177-F212 WeakPolarHBondContact OD1-CE2 3.26Å; N177-F212 WeakPolarHBondContact OD1-CZ 3.47Å; H179-F212 AromaticContact CE1-CE2 3.52Å; H179-F212 AromaticContact CE1-CZ 3.59Å; H179-F212 AromaticContact NE2-CE2 3.46Å; H179-F212 WeakPolarHBondContact NE2-CE2 3.39Å; H179-F212 AromaticContact NE2-CZ 3.63Å; C182-F212 HydrophobicContact CB-CB 3.73Å; C182-F212 HydrophobicContact CB-CG 4.18Å; A183-F212 CarbonylContact O-C 3.59Å; A183-F212 WeakPolarHBondContact O-CA 3.24Å; A183-F212 WeakPolarHBondContact O-CB 3.43Å; L202-F212 CarbonylContact C-O 3.58Å; L202-F212 VanDerWaalsContact CA-O 3.26Å; L202-F212 WeakPolarHBondContact CA-O 3.39Å; S203-F212 PolarHBondContact N-O 3.27Å; S203-F212 WeakPolarHBondContact O-CD1 3.28Å; S203-F212 PolarHBondContact O-N 2.66Å; V210-F212 HydrophobicContact CG1-CD1 4.19Å; F212-S214 PolarHBondContact O-N 2.73Å; F212-A227 HydrophobicContact CE2-CB 4.32Å
213I98.8Very high98Very high0 Ų046 Ų460%021%0.207CC..EExtended strand (participates in β ladder)trans-69.1120.2174.5-62.3160.4000108.3F120 A183 E185 F188 T199 L202 I216F120-I213 HydrophobicContact CE2-CG2 4.39Å; F120-I213 HydrophobicContact CZ-CG2 4.23Å; A183-I213 HydrophobicContact CB-CD1 4.46Å; A183-I213 PolarHBondContact O-N 2.79Å; E185-I213 HydrophobicContact CG-CG1 4.3Å; F188-I213 HydrophobicContact CB-CD1 3.47Å; F188-I213 VanDerWaalsContact CB-CD1 3.47Å; F188-I213 HydrophobicContact CD1-CD1 4.15Å; F188-I213 HydrophobicContact CD2-CD1 3.67Å; F188-I213 HydrophobicContact CE2-CD1 4.37Å; F188-I213 HydrophobicContact CG-CD1 3.53Å; T199-I213 HydrophobicContact CG2-CD1 3.53Å; T199-I213 HydrophobicContact CG2-CG1 3.81Å; T199-I213 HydrophobicContact CG2-CG2 3.93Å; L202-I213 HydrophobicContact CD2-CB 4.35Å; L202-I213 HydrophobicContact CD2-CG1 3.86Å; I213-I216 HydrophobicContact CG2-CG2 3.49Å; I213-I216 VanDerWaalsContact CG2-CG2 3.49Å
214S98.7Very high98Very high0 Ų046 Ų460%021%0.207CC..EExtended strand (participates in β ladder)trans-102.3-21.9-178.756.50000113.5L146 T201 L202 S203 F212 I226 A227 W228L146-S214 WeakPolarHBondContact CD2-OG 3.31Å; T201-S214 VanDerWaalsContact C-OG 3.29Å; T201-S214 WeakPolarHBondContact CB-OG 3.35Å; T201-S214 PolarHBondContact O-N 3.21Å; T201-S214 PolarHBondContact O-OG 3.47Å; T201-S214 PolarHBondContact OG1-OG 3.47Å; L202-S214 PolarHBondContact O-OG 2.73Å; S203-S214 PolarHBondContact N-OG 2.75Å; S203-S214 VanDerWaalsContact OG-CB 3.27Å; S203-S214 WeakPolarHBondContact OG-CB 3.46Å; S203-S214 PolarHBondContact OG-OG 2.94Å; F212-S214 PolarHBondContact O-N 2.73Å; S214-I226 CarbonylContact O-C 3.6Å; S214-I226 WeakPolarHBondContact O-CA 3.3Å; S214-A227 PolarHBondContact O-N 3.14Å; S214-W228 PolarHBondContact O-NE1 3.42Å
215T98.8Very high98.1Very high0 Ų040 Ų400%019%0.185CC..EExtended strand (participates in β ladder)trans-145.5137.4178.1-51.50000111.3M157 F158 L200 T201 G225 I226 W228M157-T215 HydrophobicContact CE-CG2 3.77Å; M157-T215 HydrophobicContact SD-CG2 3.35Å; M157-T215 WeakPolarHBondContact SD-CG2 3.24Å; F158-T215 HydrophobicContact CE2-CG2 3.96Å; F158-T215 HydrophobicContact CZ-CG2 4.4Å; L200-T215 HydrophobicContact CB-CG2 4.05Å; L200-T215 HydrophobicContact CD1-CG2 4.11Å; L200-T215 HydrophobicContact CG-CG2 4.4Å; L200-T215 PolarHBondContact N-O 3.3Å; T201-T215 PolarHBondContact N-O 2.7Å; T201-T215 PolarHBondContact O-N 3.26Å; T201-T215 WeakPolarHBondContact OG1-CB 3.48Å; T201-T215 PolarHBondContact OG1-N 3.21Å; T201-T215 PolarHBondContact OG1-OG1 2.91Å; T215-G225 CarbonylContact C-O 3.55Å; T215-G225 WeakPolarHBondContact CA-O 3.37Å; T215-I226 HydrophobicContact CG2-CG2 3.71Å; T215-W228 PolarHBondContact OG1-NE1 3.06Å
216I98.5Very high98.1Very high0 Ų040 Ų400%019%0.185CC..EExtended strand (participates in β ladder)trans-132.3156.1174.262.3178.2000111.4F120 L124 F188 F197 S198 T199 I213 G225F120-I216 HydrophobicContact CD2-CD1 3.86Å; F120-I216 HydrophobicContact CD2-CG1 3.91Å; F120-I216 HydrophobicContact CE2-CB 4.4Å; F120-I216 HydrophobicContact CE2-CD1 3.73Å; F120-I216 HydrophobicContact CE2-CG1 3.77Å; F120-I216 HydrophobicContact CE2-CG2 3.93Å; L124-I216 HydrophobicContact CD2-CD1 3.66Å; L124-I216 HydrophobicContact CG-CD1 4.38Å; F188-I216 HydrophobicContact CE2-CG2 4.3Å; F197-I216 HydrophobicContact CB-CB 4.28Å; F197-I216 HydrophobicContact CD1-CB 4.49Å; F197-I216 HydrophobicContact CD1-CD1 3.88Å; F197-I216 HydrophobicContact CD1-CG1 4.28Å; F197-I216 HydrophobicContact CE1-CD1 4.19Å; F197-I216 HydrophobicContact CG-CD1 4.18Å; S198-I216 VanDerWaalsContact O-CA 3.28Å; S198-I216 WeakPolarHBondContact O-CA 3.17Å; T199-I216 HydrophobicContact CG2-CG2 4.38Å; I213-I216 HydrophobicContact CG2-CG2 3.49Å; I213-I216 VanDerWaalsContact CG2-CG2 3.49Å; I216-G225 PolarHBondContact N-O 3.02Å; I216-G225 PolarHBondContact O-N 3.07Å
217E98.3Very high98.1Very high6 Ų635.5 Ų35.53%0.02816%0.161CC..EExtended strand (participates in β ladder)trans-137.5146.4160.568.7177.8-145.800110.8N155 R156 M157 F197 S198 L200 F223 Y224N155-E217 WeakPolarHBondContact CA-OE1 3.22Å; R156-E217 IonicContact CZ-OE1 3.72Å; R156-E217 VanDerWaalsContact N-CD 3.31Å; R156-E217 PolarHBondContact N-OE1 2.8Å; R156-E217 PolarHBondContact N-OE2 2.86Å; R156-E217 IonicContact NH1-OE1 2.98Å; M157-E217 PolarHBondContact N-OE2 2.82Å; F197-E217 CarbonylContact C-O 3.37Å; F197-E217 VanDerWaalsContact CA-O 3.31Å; F197-E217 WeakPolarHBondContact CA-O 3.4Å; S198-E217 PolarHBondContact N-O 3.47Å; S198-E217 PolarHBondContact O-N 2.93Å; S198-E217 VanDerWaalsContact O-N 3.07Å; L200-E217 HydrophobicContact CD1-CB 4.27Å; L200-E217 HydrophobicContact CD1-CG 3.93Å; L200-E217 HydrophobicContact CD2-CG 4.02Å; L200-E217 HydrophobicContact CG-CG 4.17Å; E217-F223 CarbonylContact C-O 3.52Å; E217-F223 WeakPolarHBondContact CA-O 3.37Å; E217-Y224 HydrophobicContact CB-CD1 3.72Å; E217-Y224 HydrophobicContact CB-CE1 3.99Å
218H98.1Very high98.2Very high14 Ų1428.1 Ų28.17%0.06513%0.129CC..EExtended strand (participates in β ladder)trans-71.7138.9-179.5-174.3-58000109.9F127 R156 F197 R220 F221 F223F127-H218 AromaticContact CE1-CD2 3.77Å; F127-H218 AromaticContact CE1-NE2 3.71Å; R156-H218 PolarHBondContact NH1-O 3.06Å; R156-H218 PolarHBondContact NH2-O 3.26Å; F197-H218 HydrophobicContact CD1-CB 3.62Å; F197-H218 HydrophobicContact CE1-CB 3.59Å; F197-H218 AromaticContact CE1-CD2 3.89Å; F197-H218 HydrophobicContact CG-CB 4.49Å; F197-H218 HydrophobicContact CZ-CB 4.46Å; F197-H218 AromaticContact CZ-CD2 3.89Å; H218-R220 VanDerWaalsContact C-N 3.35Å; H218-R220 PolarHBondContact ND1-N 3.32Å; H218-R220 PolarHBondContact O-N 3Å; H218-F221 WeakPolarHBondContact CB-O 3.21Å; H218-F221 AromaticContact CE1-CD2 3.34Å; H218-F221 WeakPolarHBondContact CE1-CD2 3.47Å; H218-F221 AromaticContact CE1-CE2 3.9Å; H218-F221 AromaticContact ND1-CD2 3.87Å; H218-F221 PolarHBondContact ND1-N 2.94Å; H218-F221 AromaticContact NE2-CD2 3.4Å; H218-F221 WeakPolarHBondContact NE2-CD2 3.26Å; H218-F221 AromaticContact NE2-CE2 3.96Å; H218-F223 HydrophobicContact CB-CB 3.81Å; H218-F223 HydrophobicContact CB-CD2 4.21Å; H218-F223 HydrophobicContact CB-CG 4.35Å; H218-F223 AromaticContact CD2-CD2 3.74Å; H218-F223 PolarHBondContact N-O 2.65Å
219N96.9Very high98.3Very high69 Ų6924.6 Ų24.637%0.36911%0.113SC..SBendtrans-61.7-41.9-173.2-68.2-21.6000112.2G195 I196 S198G195-N219 VanDerWaalsContact C-ND2 3.34Å; G195-N219 PolarHBondContact O-ND2 3.04Å; I196-N219 VanDerWaalsContact C-ND2 3.34Å; I196-N219 WeakPolarHBondContact O-CB 3.35Å; I196-N219 VanDerWaalsContact O-CG 3.31Å; I196-N219 PolarHBondContact O-N 3.07Å; I196-N219 PolarHBondContact O-ND2 3.4Å; S198-N219 PolarHBondContact N-OD1 2.83Å; S198-N219 PolarHBondContact OG-OD1 2.86Å
220R96.8Very high98.4Very high165 Ų16517.2 Ų17.262%0.6238%0.081SC*.SBendtrans-101.8-46.2179.6-176.9179.1166.8-172.8-3.4116.4H218H218-R220 VanDerWaalsContact C-N 3.35Å; H218-R220 PolarHBondContact ND1-N 3.32Å; H218-R220 PolarHBondContact O-N 3Å
221F98.3Very high98.4Very high15 Ų1516.3 Ų16.37%0.0668%0.076CC..SBendtrans-95.4157.5-171.6-56.3-49.9000111.8V102 N105 Q106 R156 H218 F223V102-F221 HydrophobicContact CB-CE2 4.48Å; V102-F221 HydrophobicContact CG1-CE2 4Å; V102-F221 HydrophobicContact CG1-CZ 4.2Å; V102-F221 HydrophobicContact CG2-CD2 4.25Å; V102-F221 HydrophobicContact CG2-CE2 4.13Å; N105-F221 HydrophobicContact CB-CD1 3.44Å; N105-F221 VanDerWaalsContact CB-CD1 3.44Å; N105-F221 HydrophobicContact CB-CE1 3.8Å; N105-F221 HydrophobicContact CB-CG 4.28Å; Q106-F221 HydrophobicContact CG-CE1 4.04Å; Q106-F221 HydrophobicContact CG-CZ 3.74Å; R156-F221 PolarHBondContact NH2-O 3.45Å; H218-F221 WeakPolarHBondContact CB-O 3.21Å; H218-F221 AromaticContact CE1-CD2 3.34Å; H218-F221 WeakPolarHBondContact CE1-CD2 3.47Å; H218-F221 AromaticContact CE1-CE2 3.9Å; H218-F221 AromaticContact ND1-CD2 3.87Å; H218-F221 PolarHBondContact ND1-N 2.94Å; H218-F221 AromaticContact NE2-CD2 3.4Å; H218-F221 WeakPolarHBondContact NE2-CD2 3.26Å; H218-F221 AromaticContact NE2-CE2 3.96Å; F221-F223 HydrophobicContact CB-CD1 4.13Å; F221-F223 HydrophobicContact CB-CD2 3.72Å; F221-F223 HydrophobicContact CB-CE1 3.92Å; F221-F223 HydrophobicContact CB-CE2 3.48Å; F221-F223 VanDerWaalsContact CB-CE2 3.48Å; F221-F223 HydrophobicContact CB-CG 4.03Å; F221-F223 HydrophobicContact CB-CZ 3.59Å; F221-F223 HydrophobicContact CD2-CD2 4.3Å; F221-F223 AromaticContact CD2-CE2 3.62Å; F221-F223 HydrophobicContact CD2-CE2 3.62Å; F221-F223 HydrophobicContact CD2-CZ 4.16Å; F221-F223 HydrophobicContact CG-CD2 4.47Å; F221-F223 AromaticContact CG-CE2 3.86Å; F221-F223 HydrophobicContact CG-CE2 3.86Å; F221-F223 HydrophobicContact CG-CZ 4.03Å; F221-F223 PolarHBondContact O-N 2.82Å
222P98Very high98.4Very high4 Ų414.4 Ų14.43%0.0266%0.063CC..SBendtrans-77.153.3178.833.4-37.4000112.7N105 Y110 P112 I113 Y224 E263N105-P222 VanDerWaalsContact OD1-CD 3.23Å; N105-P222 WeakPolarHBondContact OD1-CD 3.48Å; N105-P222 WeakPolarHBondContact OD1-CG 3.26Å; Y110-P222 HydrophobicContact CD1-CG 4.13Å; Y110-P222 HydrophobicContact CD2-CG 4.38Å; Y110-P222 HydrophobicContact CE1-CB 3.72Å; Y110-P222 HydrophobicContact CE1-CG 3.63Å; Y110-P222 HydrophobicContact CE2-CB 4.16Å; Y110-P222 HydrophobicContact CE2-CG 3.92Å; Y110-P222 VanDerWaalsContact CZ-CB 3.43Å; Y110-P222 VanDerWaalsContact OH-CB 3.24Å; Y110-P222 WeakPolarHBondContact OH-CB 3.46Å; P112-P222 WeakPolarHBondContact CA-O 3.22Å; P112-P222 HydrophobicContact CB-CB 4.08Å; P112-P222 HydrophobicContact CB-CG 4.27Å; P112-P222 WeakPolarHBondContact CB-O 3.09Å; I113-P222 PolarHBondContact N-O 3.09Å; P222-Y224 HydrophobicContact CB-CE2 4.12Å; P222-Y224 WeakPolarHBondContact O-CD2 3.45Å; P222-Y224 WeakPolarHBondContact O-CE2 3.47Å; P222-E263 VanDerWaalsContact CB-OE2 3.28Å; P222-E263 WeakPolarHBondContact CB-OE2 3.26Å
223F98.6Very high98.3Very high0 Ų014.4 Ų14.40%06%0.063CC..EExtended strand (participates in β ladder)trans-105.6132.5177.2-48-26.9000109.4A101 V102 F111 I113 L123 F127 F197 E217 H218 F221A101-F223 HydrophobicContact CB-CE1 3.83Å; A101-F223 HydrophobicContact CB-CZ 3.8Å; V102-F223 HydrophobicContact CG2-CE2 3.74Å; V102-F223 HydrophobicContact CG2-CZ 4.09Å; F111-F223 WeakPolarHBondContact O-CE1 3.27Å; I113-F223 HydrophobicContact CB-CB 4.34Å; I113-F223 HydrophobicContact CB-CD1 3.65Å; I113-F223 HydrophobicContact CB-CE1 4.29Å; I113-F223 HydrophobicContact CB-CG 4.17Å; I113-F223 HydrophobicContact CD1-CD1 4.03Å; I113-F223 HydrophobicContact CD1-CE1 3.91Å; I113-F223 HydrophobicContact CD1-CZ 4.28Å; I113-F223 HydrophobicContact CG1-CD1 3.75Å; I113-F223 HydrophobicContact CG1-CE1 3.85Å; I113-F223 CarbonylContact O-C 3.6Å; I113-F223 WeakPolarHBondContact O-CA 3.3Å; L123-F223 HydrophobicContact CD2-CB 4.35Å; F127-F223 HydrophobicContact CE1-CD2 4.43Å; F127-F223 HydrophobicContact CE1-CE2 4.35Å; F127-F223 HydrophobicContact CE2-CD2 4.3Å; F127-F223 AromaticContact CZ-CD2 3.69Å; F127-F223 HydrophobicContact CZ-CD2 3.69Å; F127-F223 AromaticContact CZ-CE2 3.64Å; F127-F223 HydrophobicContact CZ-CE2 3.64Å; F197-F223 HydrophobicContact CE1-CB 4.41Å; E217-F223 CarbonylContact C-O 3.52Å; E217-F223 WeakPolarHBondContact CA-O 3.37Å; H218-F223 HydrophobicContact CB-CB 3.81Å; H218-F223 HydrophobicContact CB-CD2 4.21Å; H218-F223 HydrophobicContact CB-CG 4.35Å; H218-F223 AromaticContact CD2-CD2 3.74Å; H218-F223 PolarHBondContact N-O 2.65Å; F221-F223 HydrophobicContact CB-CD1 4.13Å; F221-F223 HydrophobicContact CB-CD2 3.72Å; F221-F223 HydrophobicContact CB-CE1 3.92Å; F221-F223 HydrophobicContact CB-CE2 3.48Å; F221-F223 VanDerWaalsContact CB-CE2 3.48Å; F221-F223 HydrophobicContact CB-CG 4.03Å; F221-F223 HydrophobicContact CB-CZ 3.59Å; F221-F223 HydrophobicContact CD2-CD2 4.3Å; F221-F223 AromaticContact CD2-CE2 3.62Å; F221-F223 HydrophobicContact CD2-CE2 3.62Å; F221-F223 HydrophobicContact CD2-CZ 4.16Å; F221-F223 HydrophobicContact CG-CD2 4.47Å; F221-F223 AromaticContact CG-CE2 3.86Å; F221-F223 HydrophobicContact CG-CE2 3.86Å; F221-F223 HydrophobicContact CG-CZ 4.03Å; F221-F223 PolarHBondContact O-N 2.82Å
224Y98.7Very high98.3Very high1 Ų116.2 Ų16.20%0.0047%0.074CC..EExtended strand (participates in β ladder)trans-132.8140.1-171.9-58.5-74.9000109I113 W114 G115 L123 R156 M157 E217 P222 E263I113-Y224 PolarHBondContact O-N 3.29Å; W114-Y224 CarbonylContact C-O 3.54Å; W114-Y224 WeakPolarHBondContact CA-O 3.35Å; W114-Y224 HydrophobicContact CE3-CD2 4.36Å; W114-Y224 HydrophobicContact CE3-CG 4.17Å; W114-Y224 HydrophobicContact CZ3-CG 4.29Å; G115-Y224 PolarHBondContact N-O 3.24Å; L123-Y224 WeakPolarHBondContact CD1-O 3.4Å; R156-Y224 HydrophobicContact CB-CE1 4.22Å; R156-Y224 PolarHBondContact NE-OH 3Å; M157-Y224 HydrophobicContact CB-CD1 4.42Å; M157-Y224 HydrophobicContact CE-CD1 3.62Å; M157-Y224 HydrophobicContact CE-CG 3.99Å; E217-Y224 HydrophobicContact CB-CD1 3.72Å; E217-Y224 HydrophobicContact CB-CE1 3.99Å; P222-Y224 HydrophobicContact CB-CE2 4.12Å; P222-Y224 WeakPolarHBondContact O-CD2 3.45Å; P222-Y224 WeakPolarHBondContact O-CE2 3.47Å; Y224-E263 HydrophobicContact CE2-CG 3.84Å; Y224-E263 WeakPolarHBondContact CE2-OE2 3.37Å; Y224-E263 PolarHBondContact OH-OE2 2.56Å
225G98.7Very high98.3Very high0 Ų018.3 Ų18.30%08%0.082CC..EExtended strand (participates in β ladder)trans-139.6136.3178.600000111.5G115 T215 I216G115-G225 CarbonylContact O-C 3.43Å; G115-G225 WeakPolarHBondContact O-CA 3.5Å; T215-G225 CarbonylContact C-O 3.55Å; T215-G225 WeakPolarHBondContact CA-O 3.37Å; I216-G225 PolarHBondContact N-O 3.02Å; I216-G225 PolarHBondContact O-N 3.07Å
226I98.8Very high98.2Very high0 Ų018.4 Ų18.40%08%0.082CC..EExtended strand (participates in β ladder)trans-129.7135.917154.3165.2000110.6W114 G115 T116 C117 F120 M157 S214 T215 W228 P230 L256W114-I226 HydrophobicContact CH2-CG2 4.48Å; W114-I226 HydrophobicContact CZ2-CD1 3.61Å; W114-I226 HydrophobicContact CZ2-CG1 3.8Å; W114-I226 HydrophobicContact CZ2-CG2 4.29Å; G115-I226 PolarHBondContact O-N 2.88Å; T116-I226 CarbonylContact C-O 3.57Å; T116-I226 WeakPolarHBondContact CA-O 3.16Å; C117-I226 PolarHBondContact N-O 2.98Å; F120-I226 VanDerWaalsContact CB-O 3.28Å; F120-I226 WeakPolarHBondContact CB-O 3.39Å; M157-I226 HydrophobicContact CE-CG2 4.48Å; M157-I226 HydrophobicContact SD-CG2 4.34Å; S214-I226 CarbonylContact O-C 3.6Å; S214-I226 WeakPolarHBondContact O-CA 3.3Å; T215-I226 HydrophobicContact CG2-CG2 3.71Å; I226-W228 VanDerWaalsContact C-N 3.25Å; I226-W228 HydrophobicContact CB-CG 4.45Å; I226-W228 HydrophobicContact CD1-CD2 4.29Å; I226-W228 HydrophobicContact CD1-CZ2 4.38Å; I226-W228 VanDerWaalsContact CD1-O 3.28Å; I226-W228 WeakPolarHBondContact CD1-O 3.45Å; I226-W228 HydrophobicContact CG2-CZ2 4.23Å; I226-W228 PolarHBondContact O-N 2.97Å; I226-P230 HydrophobicContact CD1-CG 3.56Å; I226-L256 HydrophobicContact CD1-CD1 4.45Å
227A98.7Very high98Very high4 Ų425 Ų253%0.03311%0.114CC..SBendtrans-76.7-14.9176.400000112.9F120 H179 F212 S214F120-A227 HydrophobicContact CD1-CB 4.12Å; F120-A227 HydrophobicContact CE1-CB 4.15Å; H179-A227 PolarHBondContact CD2-O 3.23Å; H179-A227 VanDerWaalsContact CD2-O 3.27Å; F212-A227 HydrophobicContact CE2-CB 4.32Å; S214-A227 PolarHBondContact O-N 3.14Å
228W98.7Very high97.8Very high0 Ų027.7 Ų27.70%013%0.126CC..SBendtrans-111.5172.7-170.856.3-81.4000112.2T116 L146 A175 P176 S214 T215 I226 P230 M252 L256T116-W228 WeakPolarHBondContact CG2-O 3.5Å; L146-W228 HydrophobicContact CD1-CD2 4.48Å; L146-W228 HydrophobicContact CD1-CH2 3.96Å; L146-W228 HydrophobicContact CD1-CZ2 3.5Å; L146-W228 HydrophobicContact CD2-CD2 4.38Å; L146-W228 HydrophobicContact CD2-CG 4.35Å; A175-W228 HydrophobicContact CB-CB 3.83Å; A175-W228 HydrophobicContact CB-CD2 3.64Å; A175-W228 HydrophobicContact CB-CE3 3.65Å; A175-W228 HydrophobicContact CB-CG 3.72Å; A175-W228 HydrophobicContact CB-CZ3 4.4Å; P176-W228 WeakPolarHBondContact O-CA 3.48Å; P176-W228 WeakPolarHBondContact O-CB 3.4Å; S214-W228 PolarHBondContact O-NE1 3.42Å; T215-W228 PolarHBondContact OG1-NE1 3.06Å; I226-W228 VanDerWaalsContact C-N 3.25Å; I226-W228 HydrophobicContact CB-CG 4.45Å; I226-W228 HydrophobicContact CD1-CD2 4.29Å; I226-W228 HydrophobicContact CD1-CZ2 4.38Å; I226-W228 VanDerWaalsContact CD1-O 3.28Å; I226-W228 WeakPolarHBondContact CD1-O 3.45Å; I226-W228 HydrophobicContact CG2-CZ2 4.23Å; I226-W228 PolarHBondContact O-N 2.97Å; W228-P230 HydrophobicContact CE3-CB 4.25Å; W228-P230 HydrophobicContact CE3-CG 4.38Å; W228-P230 HydrophobicContact CH2-CB 4.2Å; W228-P230 HydrophobicContact CH2-CG 4.47Å; W228-P230 HydrophobicContact CZ3-CB 3.61Å; W228-P230 HydrophobicContact CZ3-CG 4.05Å; W228-P230 VanDerWaalsContact O-CD 3.28Å; W228-P230 WeakPolarHBondContact O-CD 3.26Å; W228-M252 HydrophobicContact CH2-CG 3.62Å; W228-M252 HydrophobicContact CH2-SD 4.28Å; W228-M252 HydrophobicContact CZ3-CG 4.16Å; W228-L256 HydrophobicContact CH2-CD1 3.46Å; W228-L256 VanDerWaalsContact CH2-CD1 3.46Å; W228-L256 HydrophobicContact CZ2-CD1 3.77Å; W228-L256 HydrophobicContact CZ3-CD1 4.4Å
229H98.6Very high97.5Very high7 Ų732.8 Ų32.83%0.03216%0.163CC..  trans-119.680.8-165-72-88.4000114.1Y43 C117 P176 F178 E231 K232Y43-H229 PolarHBondContact OH-CE1 2.88Å; Y43-H229 VanDerWaalsContact OH-CE1 3.29Å; Y43-H229 PolarHBondContact OH-ND1 3.3Å; C117-H229 VanDerWaalsContact CB-CE1 3.44Å; C117-H229 WeakPolarHBondContact CB-CE1 3.43Å; C117-H229 WeakPolarHBondContact CB-NE2 3.48Å; P176-H229 HydrophobicContact CB-CB 4.46Å; P176-H229 WeakPolarHBondContact CD-O 3.36Å; P176-H229 PolarHBondContact O-N 2.91Å; F178-H229 AromaticContact CD2-CD2 3.99Å; H229-E231 VanDerWaalsContact C-N 3.26Å; H229-E231 WeakPolarHBondContact CA-OE2 3.44Å; H229-E231 IonicContact CE1-OE1 2.63Å; H229-E231 IonicContact CG-OE1 3.23Å; H229-E231 IonicContact ND1-OE1 3.68Å; H229-E231 PolarHBondContact ND1-OE1 2.94Å; H229-E231 IonicContact ND1-OE2 2.7Å; H229-E231 PolarHBondContact O-N 3.27Å; H229-K232 HydrophobicContact CB-CB 4.19Å; H229-K232 HydrophobicContact CB-CD 3.59Å; H229-K232 HydrophobicContact CB-CG 3.74Å; H229-K232 PolarHBondContact O-N 3.08Å
230P98.4Very high97.4Very high0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-60.5-35.5177.122.3-31.5000112.6M46 I226 W228 K232 N233 A253 L256M46-P230 HydrophobicContact SD-CG 4.43Å; I226-P230 HydrophobicContact CD1-CG 3.56Å; W228-P230 HydrophobicContact CE3-CB 4.25Å; W228-P230 HydrophobicContact CE3-CG 4.38Å; W228-P230 HydrophobicContact CH2-CB 4.2Å; W228-P230 HydrophobicContact CH2-CG 4.47Å; W228-P230 HydrophobicContact CZ3-CB 3.61Å; W228-P230 HydrophobicContact CZ3-CG 4.05Å; W228-P230 VanDerWaalsContact O-CD 3.28Å; W228-P230 WeakPolarHBondContact O-CD 3.26Å; P230-K232 PolarHBondContact O-N 3.3Å; P230-N233 PolarHBondContact O-N 3.09Å; P230-A253 HydrophobicContact CB-CB 3.94Å; P230-A253 WeakPolarHBondContact O-CB 3.5Å; P230-L256 HydrophobicContact CB-CD1 4.33Å; P230-L256 HydrophobicContact CG-CD1 4.15Å
231E98.4Very high97.3Very high0 Ų024.9 Ų24.90%014%0.137CC..Hα-helixtrans-60.3-31.4-178.179.9-71.1179.600112.1Y43 M46 H229 N233 V234 Y235Y43-E231 HydrophobicContact CD1-CB 4.42Å; Y43-E231 HydrophobicContact CD1-CG 3.82Å; Y43-E231 HydrophobicContact CE1-CG 3.64Å; Y43-E231 WeakPolarHBondContact CE1-OE1 3.16Å; Y43-E231 PolarHBondContact OH-OE1 3.49Å; M46-E231 HydrophobicContact CB-CB 4.32Å; M46-E231 HydrophobicContact CE-CB 4.49Å; M46-E231 HydrophobicContact SD-CB 3.81Å; H229-E231 VanDerWaalsContact C-N 3.26Å; H229-E231 WeakPolarHBondContact CA-OE2 3.44Å; H229-E231 IonicContact CE1-OE1 2.63Å; H229-E231 IonicContact CG-OE1 3.23Å; H229-E231 IonicContact ND1-OE1 3.68Å; H229-E231 PolarHBondContact ND1-OE1 2.94Å; H229-E231 IonicContact ND1-OE2 2.7Å; H229-E231 PolarHBondContact O-N 3.27Å; E231-N233 PolarHBondContact O-N 3.48Å; E231-V234 PolarHBondContact O-N 2.94Å; E231-Y235 HydrophobicContact CB-CD2 4.32Å; E231-Y235 VanDerWaalsContact O-CD2 3.25Å; E231-Y235 WeakPolarHBondContact O-CD2 3.21Å; E231-Y235 PolarHBondContact O-N 2.86Å
232K98.3Very high97.3Very high16 Ų1627.7 Ų27.77%0.0715%0.152CC..Hα-helixtrans-68.3-35-176.6-67.6-174.7-178.6-600112.7F178 H229 P230 V234 E236 L243F178-K232 HydrophobicContact CD2-CD 3.85Å; F178-K232 HydrophobicContact CE2-CD 3.73Å; H229-K232 HydrophobicContact CB-CB 4.19Å; H229-K232 HydrophobicContact CB-CD 3.59Å; H229-K232 HydrophobicContact CB-CG 3.74Å; H229-K232 PolarHBondContact O-N 3.08Å; P230-K232 PolarHBondContact O-N 3.3Å; K232-V234 PolarHBondContact O-N 3.14Å; K232-E236 HydrophobicContact CB-CB 4.39Å; K232-E236 HydrophobicContact CB-CG 4.08Å; K232-E236 HydrophobicContact CG-CG 3.8Å; K232-E236 PolarHBondContact O-N 2.83Å; K232-L243 HydrophobicContact CB-CD1 4.48Å; K232-L243 HydrophobicContact CB-CD2 3.64Å; K232-L243 HydrophobicContact CD-CD2 4.49Å; K232-L243 WeakPolarHBondContact O-CD1 3.37Å
233N98.1Very high97.2Very high2 Ų228.5 Ų28.51%0.01116%0.156CC..Hα-helixtrans-59.4-28.5178.7-72.6-26000112.6L174 P176 P230 E231 S244 R245 A249L174-N233 PolarHBondContact O-ND2 3.32Å; P176-N233 WeakPolarHBondContact CG-OD1 3.43Å; P230-N233 PolarHBondContact O-N 3.09Å; E231-N233 PolarHBondContact O-N 3.48Å; N233-S244 VanDerWaalsContact CB-O 3.25Å; N233-S244 WeakPolarHBondContact CB-O 3.24Å; N233-S244 VanDerWaalsContact CG-O 3.29Å; N233-S244 PolarHBondContact OD1-N 3.27Å; N233-S244 PolarHBondContact OD1-O 2.9Å; N233-R245 WeakPolarHBondContact O-CD 3.35Å; N233-R245 PolarHBondContact O-NH1 2.82Å; N233-A249 HydrophobicContact CB-CB 4.29Å
234V98.1Very high97.2Very high37 Ų3729.2 Ų29.222%0.22416%0.161CC..Hα-helixtrans-100.2-46.7-176.1-172.40000111.7E231 K232 I250 A253E231-V234 PolarHBondContact O-N 2.94Å; K232-V234 PolarHBondContact O-N 3.14Å; V234-I250 HydrophobicContact CG2-CG1 4.39Å; V234-I250 HydrophobicContact CG2-CG2 4.29Å; V234-A253 HydrophobicContact CG2-CB 3.61Å
235Y97.7Very high97.1Very high44 Ų4434.5 Ų34.517%0.17318%0.181CC..Hα-helixtrans-107.9-20.3-162.2-56.7-65.8000115.5Y45 M46 S49 E231Y45-Y235 HydrophobicContact CD2-CD1 4.12Å; Y45-Y235 HydrophobicContact CD2-CG 4.27Å; Y45-Y235 HydrophobicContact CG-CD1 4.31Å; Y45-Y235 PolarHBondContact O-OH 3.21Å; M46-Y235 HydrophobicContact CB-CD2 4.4Å; M46-Y235 HydrophobicContact CB-CE2 3.76Å; M46-Y235 HydrophobicContact CG-CE2 4.38Å; S49-Y235 VanDerWaalsContact CB-OH 3.25Å; S49-Y235 WeakPolarHBondContact CB-OH 3.42Å; S49-Y235 PolarHBondContact OG-OH 3.28Å; E231-Y235 HydrophobicContact CB-CD2 4.32Å; E231-Y235 VanDerWaalsContact O-CD2 3.25Å; E231-Y235 WeakPolarHBondContact O-CD2 3.21Å; E231-Y235 PolarHBondContact O-N 2.86Å
236E97.4Very high97Very high2 Ų236 Ų361%0.00919%0.192CC..  trans-92.3150.1175.4-57.2-58.3170.400110.2T40 S42 K232 L241 L243 R245 F297 E298T40-E236 WeakPolarHBondContact CG2-OE1 3.32Å; S42-E236 WeakPolarHBondContact CB-OE1 3.44Å; S42-E236 PolarHBondContact OG-OE1 2.97Å; K232-E236 HydrophobicContact CB-CB 4.39Å; K232-E236 HydrophobicContact CB-CG 4.08Å; K232-E236 HydrophobicContact CG-CG 3.8Å; K232-E236 PolarHBondContact O-N 2.83Å; E236-L241 HydrophobicContact CB-CD1 4.01Å; E236-L243 HydrophobicContact CB-CD1 4.2Å; E236-R245 PolarHBondContact O-NH1 3.22Å; E236-R245 PolarHBondContact O-NH2 2.63Å; E236-F297 WeakPolarHBondContact OE2-CA 3.47Å; E236-F297 VanDerWaalsContact OE2-CB 3.28Å; E236-F297 WeakPolarHBondContact OE2-CB 3.49Å; E236-E298 PolarHBondContact OE2-N 3.27Å
237Q95Very high97Very high140 Ų14042.6 Ų42.665%0.65423%0.227SC*.  trans-133.4-9.2-175.6-60-175.439.600114.6S239 E298Q237-S239 PolarHBondContact O-N 2.81Å; Q237-E298 VanDerWaalsContact C-OE1 3.22Å; Q237-E298 VanDerWaalsContact CA-OE1 3.26Å; Q237-E298 WeakPolarHBondContact CA-OE1 3.37Å; Q237-E298 HydrophobicContact CB-CG 4.39Å; Q237-E298 WeakPolarHBondContact CB-OE1 3.31Å; Q237-E298 PolarHBondContact N-OE1 3.44Å
238H93.2Very high97Very high62 Ų6242.5 Ų42.529%0.28723%0.226SC..  trans-52.4121.7-176.3-167.1-73.9000112.4S240 L241 K296 E298H238-S240 PolarHBondContact CE1-OG 3.46Å; H238-S240 VanDerWaalsContact CE1-OG 3.24Å; H238-S240 PolarHBondContact ND1-N 3.44Å; H238-S240 PolarHBondContact ND1-OG 2.76Å; H238-S240 PolarHBondContact O-N 3.44Å; H238-L241 HydrophobicContact CB-CD1 4.22Å; H238-L241 HydrophobicContact CB-CG 4.17Å; H238-L241 WeakPolarHBondContact O-CB 3.5Å; H238-L241 PolarHBondContact O-N 3.26Å; H238-K296 HydrophobicContact CB-CB 4.45Å; H238-K296 VanDerWaalsContact CB-O 3.29Å; H238-K296 WeakPolarHBondContact CB-O 3.46Å; H238-E298 PolarHBondContact N-OE1 3.38Å
239S92.3Very high97Very high121 Ų12142.5 Ų42.585%0.84623%0.226SC*.THydrogen-bonded Turntrans-61-23-167.758.90000115.1Q237 L241Q237-S239 PolarHBondContact O-N 2.81Å; S239-L241 VanDerWaalsContact C-N 3.25Å; S239-L241 PolarHBondContact O-N 3.16Å
240S94.4Very high96.9Very high46 Ų4644.8 Ų44.832%0.32224%0.238SC..THydrogen-bonded Turntrans-75.5-11.417675.90000114.1N141 H238 K296N141-S240 PolarHBondContact ND2-O 3.29Å; H238-S240 PolarHBondContact CE1-OG 3.46Å; H238-S240 VanDerWaalsContact CE1-OG 3.24Å; H238-S240 PolarHBondContact ND1-N 3.44Å; H238-S240 PolarHBondContact ND1-OG 2.76Å; H238-S240 PolarHBondContact O-N 3.44Å; S240-K296 WeakPolarHBondContact OG-CD 3.46Å
241L95.6Very high96.9Very high21 Ų2148.5 Ų48.511%0.1126%0.255CS..SBendtrans-84.2128.8-177.2-61.4-176.8000110.6N141 F178 E236 H238 S239 L243 K296N141-L241 WeakPolarHBondContact OD1-CA 3.43Å; F178-L241 HydrophobicContact CE1-CD2 3.65Å; F178-L241 HydrophobicContact CZ-CB 4.39Å; F178-L241 HydrophobicContact CZ-CD2 3.74Å; E236-L241 HydrophobicContact CB-CD1 4.01Å; H238-L241 HydrophobicContact CB-CD1 4.22Å; H238-L241 HydrophobicContact CB-CG 4.17Å; H238-L241 WeakPolarHBondContact O-CB 3.5Å; H238-L241 PolarHBondContact O-N 3.26Å; S239-L241 VanDerWaalsContact C-N 3.25Å; S239-L241 PolarHBondContact O-N 3.16Å; L241-L243 HydrophobicContact CB-CD1 3.74Å; L241-L243 HydrophobicContact CB-CD2 4.08Å; L241-L243 HydrophobicContact CB-CG 3.62Å; L241-L243 HydrophobicContact CD1-CD1 3.89Å; L241-L243 HydrophobicContact CD1-CG 4.44Å; L241-L243 PolarHBondContact O-N 2.88Å; L241-K296 VanDerWaalsContact CD1-O 3.24Å; L241-K296 WeakPolarHBondContact CD1-O 3.27Å; L241-K296 HydrophobicContact CD2-CB 3.9Å; L241-K296 HydrophobicContact CD2-CD 4.21Å; L241-K296 HydrophobicContact CG-CB 4.39Å
242N96.9Very high96.9Very high75 Ų7548.5 Ų48.540%0.40126%0.255SS..  trans-82.193.5172.1-169.210.1000109.1N141N141-N242 WeakPolarHBondContact O-CB 3.4Å; N141-N242 PolarHBondContact OD1-N 3.02Å
243L97.6Very high96.9Very high21 Ų2147.8 Ų47.811%0.1125%0.253CS..  trans-122.2146.5-174.4-56.5175.9000110.1P176 F178 K232 E236 L241P176-L243 HydrophobicContact CB-CD2 3.83Å; P176-L243 HydrophobicContact CG-CD2 3.83Å; F178-L243 HydrophobicContact CE2-CD2 4.16Å; F178-L243 HydrophobicContact CZ-CD2 4.35Å; K232-L243 HydrophobicContact CB-CD1 4.48Å; K232-L243 HydrophobicContact CB-CD2 3.64Å; K232-L243 HydrophobicContact CD-CD2 4.49Å; K232-L243 WeakPolarHBondContact O-CD1 3.37Å; E236-L243 HydrophobicContact CB-CD1 4.2Å; L241-L243 HydrophobicContact CB-CD1 3.74Å; L241-L243 HydrophobicContact CB-CD2 4.08Å; L241-L243 HydrophobicContact CB-CG 3.62Å; L241-L243 HydrophobicContact CD1-CD1 3.89Å; L241-L243 HydrophobicContact CD1-CG 4.44Å; L241-L243 PolarHBondContact O-N 2.88Å
244S97.7Very high96.9Very high14 Ų1450.9 Ų50.910%0.09827%0.267CS..  trans-87.9128.2171.3-174.10000110.1P173 N233 S246 A249P173-S244 WeakPolarHBondContact O-CB 3.29Å; N233-S244 VanDerWaalsContact CB-O 3.25Å; N233-S244 WeakPolarHBondContact CB-O 3.24Å; N233-S244 VanDerWaalsContact CG-O 3.29Å; N233-S244 PolarHBondContact OD1-N 3.27Å; N233-S244 PolarHBondContact OD1-O 2.9Å; S244-S246 PolarHBondContact OG-N 2.79Å; S244-S246 PolarHBondContact OG-OG 3.08Å; S244-A249 VanDerWaalsContact CB-CB 3.43Å; S244-A249 VanDerWaalsContact OG-CB 3.28Å; S244-A249 WeakPolarHBondContact OG-CB 3.42Å
245R95.9Very high97Very high113 Ų11350.9 Ų50.943%0.42626%0.263SS..  trans-104.314.8168.8-53-57.6-178.3164.14.9112N233 E236N233-R245 WeakPolarHBondContact O-CD 3.35Å; N233-R245 PolarHBondContact O-NH1 2.82Å; E236-R245 PolarHBondContact O-NH1 3.22Å; E236-R245 PolarHBondContact O-NH2 2.63Å
246S97.7Very high97Very high32 Ų3248.9 Ų48.922%0.22426%0.255CS..SBendtrans-65.9153.7177.378.10000110.5E172 S244 A248 A249 I250E172-S246 PolarHBondContact OE2-OG 3.29Å; S244-S246 PolarHBondContact OG-N 2.79Å; S244-S246 PolarHBondContact OG-OG 3.08Å; S246-A248 PolarHBondContact O-N 2.82Å; S246-A249 PolarHBondContact O-N 3.09Å; S246-A249 VanDerWaalsContact O-N 3.09Å; S246-A249 PolarHBondContact OG-N 3.07Å; S246-I250 PolarHBondContact O-N 2.83Å; S246-I250 VanDerWaalsContact O-N 3.12Å
247N98Very high97Very high138 Ų13848.8 Ų48.874%0.73826%0.255SS*.Hα-helixtrans-55.4-40.2175.2-71.7-18.4000111.1A249 I250 E251N247-A249 PolarHBondContact O-N 2.89Å; N247-I250 PolarHBondContact O-N 3.19Å; N247-E251 VanDerWaalsContact O-CB 3.26Å; N247-E251 WeakPolarHBondContact O-CB 3.27Å; N247-E251 PolarHBondContact O-N 2.95Å
248A98.4Very high97.1Very high2 Ų249.7 Ų49.72%0.01725%0.252CS..Hα-helixtrans-64-37.9177.800000112.9L165 A168 L174 S246 M252L165-A248 WeakPolarHBondContact CD1-O 3.49Å; A168-A248 HydrophobicContact CB-CB 3.57Å; L174-A248 HydrophobicContact CD1-CB 4.02Å; L174-A248 HydrophobicContact CD2-CB 3.97Å; S246-A248 PolarHBondContact O-N 2.82Å; A248-M252 VanDerWaalsContact O-CB 3.25Å; A248-M252 WeakPolarHBondContact O-CB 3.34Å; A248-M252 PolarHBondContact O-N 3.25Å
249A98.4Very high97.2Very high0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-67.2-41176.800000112.5L174 N233 S244 S246 N247 A253L174-A249 HydrophobicContact CD2-CB 4Å; N233-A249 HydrophobicContact CB-CB 4.29Å; S244-A249 VanDerWaalsContact CB-CB 3.43Å; S244-A249 VanDerWaalsContact OG-CB 3.28Å; S244-A249 WeakPolarHBondContact OG-CB 3.42Å; S246-A249 PolarHBondContact O-N 3.09Å; S246-A249 VanDerWaalsContact O-N 3.09Å; S246-A249 PolarHBondContact OG-N 3.07Å; N247-A249 PolarHBondContact O-N 2.89Å; A249-A253 PolarHBondContact O-N 3.46Å; A249-A253 VanDerWaalsContact O-N 3.14Å
250I98.4Very high97.3Very high54 Ų5442.1 Ų42.128%0.27721%0.205SC..Hα-helixtrans-68.6-44.8176.3-64.8169.7000110.2V234 S246 N247 M252 A253 H254V234-I250 HydrophobicContact CG2-CG1 4.39Å; V234-I250 HydrophobicContact CG2-CG2 4.29Å; S246-I250 PolarHBondContact O-N 2.83Å; S246-I250 VanDerWaalsContact O-N 3.12Å; N247-I250 PolarHBondContact O-N 3.19Å; I250-M252 VanDerWaalsContact C-N 3.33Å; I250-M252 PolarHBondContact O-N 2.86Å; I250-A253 PolarHBondContact O-N 3.36Å; I250-H254 PolarHBondContact O-CD2 3.36Å; I250-H254 PolarHBondContact O-N 2.95Å
251E98.3Very high97.4Very high78 Ų7840.2 Ų40.236%0.36419%0.191SC..Hα-helixtrans-60.1-42.8175.5-173.4-179.2160.500111.2S162 L165 N247 A253 H254 Y255S162-E251 PolarHBondContact OG-OE1 3.01Å; L165-E251 HydrophobicContact CD1-CB 4.25Å; L165-E251 HydrophobicContact CD1-CG 4.26Å; L165-E251 HydrophobicContact CD2-CG 4.33Å; N247-E251 VanDerWaalsContact O-CB 3.26Å; N247-E251 WeakPolarHBondContact O-CB 3.27Å; N247-E251 PolarHBondContact O-N 2.95Å; E251-A253 PolarHBondContact O-N 2.83Å; E251-H254 PolarHBondContact O-N 2.52Å; E251-Y255 VanDerWaalsContact O-CB 3.23Å; E251-Y255 WeakPolarHBondContact O-CB 3.38Å; E251-Y255 PolarHBondContact O-N 3.22Å
252M98.4Very high97.3Very high1 Ų146.4 Ų46.41%0.00521%0.213CC..Hα-helixtrans-58.6-47.1175.9-176.659.778.400111.4F158 L165 M169 W228 A248 I250 H254 Y255 L256F158-M252 HydrophobicContact CE1-CE 4.18Å; F158-M252 HydrophobicContact CE1-SD 3.99Å; L165-M252 HydrophobicContact CD1-CB 3.97Å; L165-M252 HydrophobicContact CD1-CE 3.91Å; L165-M252 HydrophobicContact CD2-CE 4.21Å; L165-M252 HydrophobicContact CD2-SD 4.23Å; L165-M252 HydrophobicContact CG-CE 3.77Å; L165-M252 HydrophobicContact CG-SD 4.41Å; M169-M252 HydrophobicContact CB-CE 3.78Å; M169-M252 HydrophobicContact CG-CE 4.42Å; M169-M252 HydrophobicContact SD-CE 4.24Å; W228-M252 HydrophobicContact CH2-CG 3.62Å; W228-M252 HydrophobicContact CH2-SD 4.28Å; W228-M252 HydrophobicContact CZ3-CG 4.16Å; A248-M252 VanDerWaalsContact O-CB 3.25Å; A248-M252 WeakPolarHBondContact O-CB 3.34Å; A248-M252 PolarHBondContact O-N 3.25Å; I250-M252 VanDerWaalsContact C-N 3.33Å; I250-M252 PolarHBondContact O-N 2.86Å; M252-H254 PolarHBondContact O-N 3.2Å; M252-Y255 PolarHBondContact O-N 3.37Å; M252-Y255 HydrophobicContact SD-CD1 4.47Å; M252-L256 HydrophobicContact CG-CD1 4.36Å; M252-L256 WeakPolarHBondContact O-CG 3.19Å; M252-L256 PolarHBondContact O-N 2.94Å; M252-L256 HydrophobicContact SD-CD1 4.27Å; M252-L256 HydrophobicContact SD-CD2 4.45Å; M252-L256 HydrophobicContact SD-CG 4.15Å
253A98.4Very high97.3Very high1 Ų143.6 Ų43.61%0.00820%0.197CC..Hα-helixtrans-61.2-46.1179.300000112P230 V234 A249 I250 E251 L256 A257P230-A253 HydrophobicContact CB-CB 3.94Å; P230-A253 WeakPolarHBondContact O-CB 3.5Å; V234-A253 HydrophobicContact CG2-CB 3.61Å; A249-A253 PolarHBondContact O-N 3.46Å; A249-A253 VanDerWaalsContact O-N 3.14Å; I250-A253 PolarHBondContact O-N 3.36Å; E251-A253 PolarHBondContact O-N 2.83Å; A253-L256 PolarHBondContact O-N 2.71Å; A253-A257 WeakPolarHBondContact O-CB 3.33Å; A253-A257 PolarHBondContact O-N 3.17Å
254H98.2Very high97.2Very high67 Ų6742.6 Ų42.631%0.3119%0.192SC..Hα-helixtrans-67.8-35.9177-68.1-51.5000112.9I250 E251 M252 A257 R258I250-H254 PolarHBondContact O-CD2 3.36Å; I250-H254 PolarHBondContact O-N 2.95Å; E251-H254 PolarHBondContact O-N 2.52Å; M252-H254 PolarHBondContact O-N 3.2Å; H254-A257 PolarHBondContact O-N 3.16Å; H254-R258 WeakPolarHBondContact O-CB 3.21Å; H254-R258 WeakPolarHBondContact O-CG 3.25Å; H254-R258 PolarHBondContact O-N 3.46Å
255Y98.2Very high97Very high36 Ų3646.9 Ų46.914%0.14121%0.21CC..Hα-helixtrans-59.7-50.8175.4171.9-96.4000110.9M157 F158 G160 A161 L165 E251 M252 R258 L259M157-Y255 WeakPolarHBondContact O-CE1 3.39Å; M157-Y255 VanDerWaalsContact O-CZ 3.32Å; M157-Y255 PolarHBondContact O-OH 3.29Å; F158-Y255 WeakPolarHBondContact CA-OH 3.49Å; F158-Y255 HydrophobicContact CD1-CE1 4.22Å; G160-Y255 VanDerWaalsContact C-CE2 3.43Å; G160-Y255 PolarHBondContact N-OH 2.87Å; G160-Y255 WeakPolarHBondContact O-CE2 3.25Å; A161-Y255 HydrophobicContact CB-CE1 4.09Å; A161-Y255 HydrophobicContact CB-CE2 4.02Å; A161-Y255 PolarHBondContact N-OH 3.01Å; L165-Y255 HydrophobicContact CD2-CD1 4.29Å; L165-Y255 HydrophobicContact CD2-CD2 4.46Å; L165-Y255 HydrophobicContact CD2-CG 3.95Å; E251-Y255 VanDerWaalsContact O-CB 3.23Å; E251-Y255 WeakPolarHBondContact O-CB 3.38Å; E251-Y255 PolarHBondContact O-N 3.22Å; M252-Y255 PolarHBondContact O-N 3.37Å; M252-Y255 HydrophobicContact SD-CD1 4.47Å; Y255-R258 PolarHBondContact O-N 3.04Å; Y255-L259 PolarHBondContact O-N 3.24Å
256L98.1Very high97Very high2 Ų248.1 Ų48.11%0.0122%0.215CC..Hα-helixtrans-66.5-38.9179.3-63.6-178.2000112.2W114 M157 F158 I226 W228 P230 M252 A253 R258 L259 L260W114-L256 HydrophobicContact CH2-CB 4Å; W114-L256 HydrophobicContact CH2-CD1 4.14Å; W114-L256 HydrophobicContact CH2-CD2 4.05Å; W114-L256 HydrophobicContact CH2-CG 4.27Å; W114-L256 HydrophobicContact CZ2-CB 4.34Å; W114-L256 HydrophobicContact CZ2-CD1 4.3Å; M157-L256 HydrophobicContact CG-CD2 3.99Å; M157-L256 HydrophobicContact SD-CD2 4.2Å; F158-L256 HydrophobicContact CE1-CD2 4.19Å; I226-L256 HydrophobicContact CD1-CD1 4.45Å; W228-L256 HydrophobicContact CH2-CD1 3.46Å; W228-L256 VanDerWaalsContact CH2-CD1 3.46Å; W228-L256 HydrophobicContact CZ2-CD1 3.77Å; W228-L256 HydrophobicContact CZ3-CD1 4.4Å; P230-L256 HydrophobicContact CB-CD1 4.33Å; P230-L256 HydrophobicContact CG-CD1 4.15Å; M252-L256 HydrophobicContact CG-CD1 4.36Å; M252-L256 WeakPolarHBondContact O-CG 3.19Å; M252-L256 PolarHBondContact O-N 2.94Å; M252-L256 HydrophobicContact SD-CD1 4.27Å; M252-L256 HydrophobicContact SD-CD2 4.45Å; M252-L256 HydrophobicContact SD-CG 4.15Å; A253-L256 PolarHBondContact O-N 2.71Å; L256-R258 VanDerWaalsContact C-N 3.34Å; L256-R258 PolarHBondContact O-N 3.27Å; L256-L259 HydrophobicContact CD2-CD2 4.43Å; L256-L259 WeakPolarHBondContact O-CB 2.97Å; L256-L259 PolarHBondContact O-N 2.9Å; L256-L260 PolarHBondContact O-N 3.23Å
257A97.5Very high96.9Very high1 Ų147 Ų471%0.00821%0.207CC..Hα-helixtrans-59.3-45.6174.200000111.5M46 A50 A253 H254 L260 V261M46-A257 HydrophobicContact CG-CB 3.6Å; M46-A257 HydrophobicContact SD-CB 4.46Å; A50-A257 HydrophobicContact CB-CB 3.77Å; A50-A257 WeakPolarHBondContact CB-O 3.46Å; A253-A257 WeakPolarHBondContact O-CB 3.33Å; A253-A257 PolarHBondContact O-N 3.17Å; H254-A257 PolarHBondContact O-N 3.16Å; A257-L260 PolarHBondContact O-N 3.12Å; A257-V261 WeakPolarHBondContact O-CG2 3.48Å; A257-V261 PolarHBondContact O-N 2.93Å; A257-V261 VanDerWaalsContact O-N 3.12Å
258R96.5Very high96.7Very high158 Ų15848.6 Ų48.660%0.59621%0.208SC*.Hα-helixtrans-68.4-36.7177.2-71.6-175.4109.2160.18112.9A50 H254 Y255 L256 L260 V261 R262A50-R258 HydrophobicContact CB-CG 4.27Å; H254-R258 WeakPolarHBondContact O-CB 3.21Å; H254-R258 WeakPolarHBondContact O-CG 3.25Å; H254-R258 PolarHBondContact O-N 3.46Å; Y255-R258 PolarHBondContact O-N 3.04Å; L256-R258 VanDerWaalsContact C-N 3.34Å; L256-R258 PolarHBondContact O-N 3.27Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-V261 PolarHBondContact O-N 2.87Å; R258-R262 WeakPolarHBondContact O-CB 3.35Å; R258-R262 VanDerWaalsContact O-CG 3.25Å; R258-R262 WeakPolarHBondContact O-CG 3.43Å; R258-R262 PolarHBondContact O-N 2.79Å
259L96.2Very high96.6Very high19 Ų1949.6 Ų49.610%0.09921%0.212CC..Hα-helixtrans-56.6-49.8172.8172.975.4000110.2W114 M157 Y255 L256 V261 R262 E263W114-L259 HydrophobicContact CZ3-CD2 4.17Å; M157-L259 HydrophobicContact CB-CD2 4.13Å; M157-L259 HydrophobicContact CG-CD2 3.59Å; M157-L259 WeakPolarHBondContact O-CD2 3.4Å; Y255-L259 PolarHBondContact O-N 3.24Å; L256-L259 HydrophobicContact CD2-CD2 4.43Å; L256-L259 WeakPolarHBondContact O-CB 2.97Å; L256-L259 PolarHBondContact O-N 2.9Å; L259-V261 PolarHBondContact O-N 3.49Å; L259-R262 WeakPolarHBondContact O-CB 3.47Å; L259-R262 PolarHBondContact O-N 2.97Å; L259-E263 HydrophobicContact CD1-CG 4.49Å; L259-E263 WeakPolarHBondContact O-CG 3.14Å; L259-E263 PolarHBondContact O-N 2.97Å
260L95.4Very high96.5Very high6 Ų653 Ų533%0.03123%0.233CC..Hα-helixtrans-60.6-45.4-179.4175.459000112.2L47 F77 W114 L256 A257 R258 R262 E263 A264L47-L260 HydrophobicContact CD2-CD2 3.41Å; L47-L260 VanDerWaalsContact CD2-CD2 3.41Å; L47-L260 HydrophobicContact CD2-CG 4.39Å; F77-L260 HydrophobicContact CD2-CD2 3.5Å; F77-L260 VanDerWaalsContact CD2-CD2 3.5Å; F77-L260 HydrophobicContact CE2-CD2 4.1Å; W114-L260 HydrophobicContact CB-CD1 3.76Å; W114-L260 HydrophobicContact CB-CD2 4.02Å; W114-L260 HydrophobicContact CD2-CD2 4.49Å; W114-L260 HydrophobicContact CE3-CB 4.49Å; W114-L260 HydrophobicContact CE3-CD1 4.5Å; W114-L260 HydrophobicContact CG-CD1 4.46Å; W114-L260 HydrophobicContact CG-CD2 4.14Å; L256-L260 PolarHBondContact O-N 3.23Å; A257-L260 PolarHBondContact O-N 3.12Å; R258-L260 VanDerWaalsContact C-N 3.32Å; L260-R262 VanDerWaalsContact C-N 3.31Å; L260-R262 PolarHBondContact O-N 3.06Å; L260-E263 PolarHBondContact O-N 3.32Å; L260-A264 PolarHBondContact O-N 3.39Å
261V94.8Very high96.3Very high6 Ų650.9 Ų50.94%0.03622%0.222CC..Hα-helixtrans-63.2-39.3176.8176.20000111.2L18 A50 A52 A257 R258 L259 E263 A264 Q265L18-V261 HydrophobicContact CD1-CG1 3.46Å; L18-V261 VanDerWaalsContact CD1-CG1 3.46Å; A50-V261 HydrophobicContact CB-CB 4.27Å; A50-V261 HydrophobicContact CB-CG2 3.46Å; A50-V261 VanDerWaalsContact CB-CG2 3.46Å; A52-V261 HydrophobicContact CB-CG2 3.76Å; A257-V261 WeakPolarHBondContact O-CG2 3.48Å; A257-V261 PolarHBondContact O-N 2.93Å; A257-V261 VanDerWaalsContact O-N 3.12Å; R258-V261 PolarHBondContact O-N 2.87Å; L259-V261 PolarHBondContact O-N 3.49Å; V261-E263 VanDerWaalsContact C-N 3.35Å; V261-E263 PolarHBondContact O-N 2.68Å; V261-A264 PolarHBondContact O-N 3.02Å; V261-Q265 WeakPolarHBondContact O-CG 3.41Å; V261-Q265 PolarHBondContact O-N 3.37Å
262R94.7Very high96.1Very high150 Ų15052 Ų5257%0.56624%0.238SC*.Hα-helixtrans-64.4-37.4174.7-77174.7176.3-178.60.4113R258 L259 L260 A264 Q265R258-R262 WeakPolarHBondContact O-CB 3.35Å; R258-R262 VanDerWaalsContact O-CG 3.25Å; R258-R262 WeakPolarHBondContact O-CG 3.43Å; R258-R262 PolarHBondContact O-N 2.79Å; L259-R262 WeakPolarHBondContact O-CB 3.47Å; L259-R262 PolarHBondContact O-N 2.97Å; L260-R262 VanDerWaalsContact C-N 3.31Å; L260-R262 PolarHBondContact O-N 3.06Å; R262-A264 VanDerWaalsContact C-N 3.34Å; R262-Q265 WeakPolarHBondContact O-CB 3.42Å; R262-Q265 PolarHBondContact O-N 3.27Å
263E95.8Very high95.8Very high16 Ų1654.1 Ų54.18%0.07525%0.253CS..Hα-helixtrans-66-41173.9-71.2-74.4110.400110.5Y110 P112 P222 Y224 L259 L260 V261 Q265 R266Y110-E263 WeakPolarHBondContact CE1-O 3.47Å; Y110-E263 VanDerWaalsContact OH-CD 3.27Å; Y110-E263 PolarHBondContact OH-OE1 3.4Å; Y110-E263 PolarHBondContact OH-OE2 3.01Å; P112-E263 HydrophobicContact CB-CB 3.93Å; P112-E263 HydrophobicContact CG-CB 4.12Å; P222-E263 VanDerWaalsContact CB-OE2 3.28Å; P222-E263 WeakPolarHBondContact CB-OE2 3.26Å; Y224-E263 HydrophobicContact CE2-CG 3.84Å; Y224-E263 WeakPolarHBondContact CE2-OE2 3.37Å; Y224-E263 PolarHBondContact OH-OE2 2.56Å; L259-E263 HydrophobicContact CD1-CG 4.49Å; L259-E263 WeakPolarHBondContact O-CG 3.14Å; L259-E263 PolarHBondContact O-N 2.97Å; L260-E263 PolarHBondContact O-N 3.32Å; V261-E263 VanDerWaalsContact C-N 3.35Å; V261-E263 PolarHBondContact O-N 2.68Å; E263-Q265 VanDerWaalsContact C-N 3.32Å; E263-Q265 PolarHBondContact O-N 3.41Å; E263-R266 WeakPolarHBondContact O-CB 3.15Å; E263-R266 PolarHBondContact O-N 3.35Å; E263-R266 IonicContact OE1-NH1 3.47Å; E263-R266 PolarHBondContact OE1-NH1 3.25Å
264A95.5Very high95.5Very high0 Ų058.9 Ų58.90%028%0.284CS..Hα-helixtrans-64.8-32.8176.700000112.7N74 P112 L260 V261 R262 R266 S267N74-A264 HydrophobicContact CB-CB 4.01Å; P112-A264 HydrophobicContact CG-CB 4.32Å; L260-A264 PolarHBondContact O-N 3.39Å; V261-A264 PolarHBondContact O-N 3.02Å; R262-A264 VanDerWaalsContact C-N 3.34Å; A264-R266 PolarHBondContact O-N 3.27Å; A264-S267 WeakPolarHBondContact O-CB 3.47Å; A264-S267 PolarHBondContact O-N 3.05Å
265Q94.7Very high95.3Very high104 Ų10459 Ų5949%0.48629%0.293SS..THydrogen-bonded Turntrans-57.6-20.2174.3-76172.9-20.600114.3L18 V261 R262 E263 S267L18-Q265 HydrophobicContact CD1-CG 3.24Å; L18-Q265 HydrophobicContact CD2-CB 4.18Å; L18-Q265 HydrophobicContact CD2-CG 3.58Å; L18-Q265 HydrophobicContact CG-CG 4Å; V261-Q265 WeakPolarHBondContact O-CG 3.41Å; V261-Q265 PolarHBondContact O-N 3.37Å; R262-Q265 WeakPolarHBondContact O-CB 3.42Å; R262-Q265 PolarHBondContact O-N 3.27Å; E263-Q265 VanDerWaalsContact C-N 3.32Å; E263-Q265 PolarHBondContact O-N 3.41Å; Q265-S267 VanDerWaalsContact C-N 3.34Å
266R95.1Very high95.2Very high139 Ų13959.3 Ų59.353%0.52530%0.296SS..THydrogen-bonded Turntrans-84-15.2179.7-58.9172.764.2177.6-0.7112.3Y110 E263 A264Y110-R266 HydrophobicContact CD1-CB 3.53Å; Y110-R266 HydrophobicContact CE1-CB 3.72Å; Y110-R266 HydrophobicContact CE1-CG 4.41Å; Y110-R266 VanDerWaalsContact CE2-CZ 3.42Å; Y110-R266 HydrophobicContact CG-CB 3.96Å; Y110-R266 VanDerWaalsContact CZ-CZ 3.46Å; Y110-R266 VanDerWaalsContact OH-CZ 3.26Å; Y110-R266 PolarHBondContact OH-NH1 3.4Å; E263-R266 WeakPolarHBondContact O-CB 3.15Å; E263-R266 PolarHBondContact O-N 3.35Å; E263-R266 IonicContact OE1-NH1 3.47Å; E263-R266 PolarHBondContact OE1-NH1 3.25Å; A264-R266 PolarHBondContact O-N 3.27Å
267S96.1Very high95Very high9 Ų959.8 Ų59.86%0.06330%0.297CS..  trans-75.9141.1171.3-177.20000110.8N74 Y110 A264 Q265 H269N74-S267 PolarHBondContact ND2-O 3.26Å; N74-S267 VanDerWaalsContact O-CB 3.24Å; N74-S267 WeakPolarHBondContact O-CB 3.46Å; Y110-S267 VanDerWaalsContact O-CA 3.25Å; Y110-S267 WeakPolarHBondContact O-CA 3.37Å; Y110-S267 WeakPolarHBondContact O-CB 3.5Å; Y110-S267 PolarHBondContact O-OG 3.19Å; Y110-S267 VanDerWaalsContact O-OG 3.12Å; A264-S267 WeakPolarHBondContact O-CB 3.47Å; A264-S267 PolarHBondContact O-N 3.05Å; Q265-S267 VanDerWaalsContact C-N 3.34Å; S267-H269 PolarHBondContact OG-N 3.35Å
268K94.6Very high95Very high171 Ų17166.4 Ų66.474%0.74332%0.323SS*.  trans-962.8177.6-65179.4-178.5174.60113.3
269H96.4Very high94.9Very high23 Ų2365.2 Ų65.211%0.10632%0.324CS..  trans-61.4149.9177.2-68.7-176.6000111.4F70 R71 I73 N74 D109 F111 S267F70-H269 PolarHBondContact O-CE1 3.22Å; F70-H269 PolarHBondContact O-ND1 3.32Å; R71-H269 WeakPolarHBondContact O-CB 3.44Å; I73-H269 WeakPolarHBondContact O-CB 3.44Å; I73-H269 PolarHBondContact O-ND1 2.85Å; N74-H269 PolarHBondContact ND2-O 3.29Å; D109-H269 IonicContact OD1-CD2 3.78Å; D109-H269 IonicContact OD1-NE2 3.49Å; D109-H269 PolarHBondContact OD1-NE2 3.46Å; D109-H269 IonicContact OD2-CD2 2.97Å; D109-H269 IonicContact OD2-CE1 3.48Å; D109-H269 IonicContact OD2-NE2 3.93Å; D109-H269 PolarHBondContact OD2-NE2 2.79Å; F111-H269 AromaticContact CD2-CE1 3.63Å; F111-H269 AromaticContact CD2-ND1 3.66Å; F111-H269 AromaticContact CE2-ND1 3.82Å; S267-H269 PolarHBondContact OG-N 3.35Å
270T95.5Very high95Very high73 Ų7366.2 Ų66.245%0.44833%0.33SS..  trans-157.7153.6174.7-178.60000109.5Q72Q72-T270 CarbonylContact O-C 3.52Å; Q72-T270 WeakPolarHBondContact O-CA 3.08Å; Q72-T270 PolarHBondContact O-N 2.89Å
271F95Very high95Very high8 Ų866 Ų664%0.03533%0.328CS..  trans-64149.2162.3-78.1-96.6000110.3F19 V55 L69 Q72 I73 S273 Q276 Y277 N280F19-F271 HydrophobicContact CB-CD2 4.16Å; F19-F271 HydrophobicContact CB-CE2 3.77Å; F19-F271 AromaticContact CD1-CD2 3.75Å; F19-F271 HydrophobicContact CD1-CD2 3.75Å; F19-F271 AromaticContact CD1-CE2 3.85Å; F19-F271 HydrophobicContact CD1-CE2 3.85Å; F19-F271 AromaticContact CD2-CD2 3.56Å; F19-F271 HydrophobicContact CD2-CD2 3.56Å; F19-F271 HydrophobicContact CD2-CE2 4.09Å; F19-F271 AromaticContact CE1-CD2 3.94Å; F19-F271 HydrophobicContact CE1-CD2 3.94Å; F19-F271 HydrophobicContact CE1-CE2 4.45Å; F19-F271 HydrophobicContact CE2-CB 4.44Å; F19-F271 AromaticContact CE2-CD2 3.76Å; F19-F271 HydrophobicContact CE2-CD2 3.76Å; F19-F271 AromaticContact CG-CD2 3.53Å; F19-F271 HydrophobicContact CG-CD2 3.53Å; F19-F271 AromaticContact CG-CE2 3.62Å; F19-F271 HydrophobicContact CG-CE2 3.62Å; F19-F271 HydrophobicContact CZ-CB 4.45Å; F19-F271 AromaticContact CZ-CD2 3.92Å; F19-F271 HydrophobicContact CZ-CD2 3.92Å; V55-F271 HydrophobicContact CG1-CZ 4.39Å; V55-F271 HydrophobicContact CG2-CE2 3.86Å; V55-F271 HydrophobicContact CG2-CZ 3.77Å; L69-F271 HydrophobicContact CD2-CE1 4.16Å; L69-F271 HydrophobicContact CD2-CZ 4.14Å; Q72-F271 HydrophobicContact CB-CD1 4.19Å; Q72-F271 HydrophobicContact CB-CD2 4.12Å; Q72-F271 HydrophobicContact CB-CE1 4.21Å; Q72-F271 HydrophobicContact CB-CE2 4.12Å; Q72-F271 HydrophobicContact CB-CG 4.16Å; Q72-F271 HydrophobicContact CB-CZ 4.17Å; I73-F271 HydrophobicContact CG2-CE2 4.31Å; I73-F271 HydrophobicContact CG2-CZ 4.49Å; F271-S273 PolarHBondContact O-N 2.91Å; F271-Q276 HydrophobicContact CD1-CB 4.01Å; F271-Q276 HydrophobicContact CD1-CG 3.8Å; F271-Q276 HydrophobicContact CE1-CG 4.39Å; F271-Y277 HydrophobicContact CD2-CD2 4.41Å; F271-Y277 HydrophobicContact CE2-CD2 4.21Å; F271-N280 HydrophobicContact CE1-CB 4.07Å; F271-N280 HydrophobicContact CZ-CB 4.29Å
272S92.3Very high95.2Very high101 Ų10165.7 Ų65.771%0.70633%0.327SS*.SBendtrans-67-25.7178.366.70000112.8Q276S272-Q276 PolarHBondContact OG-OE1 3.36Å
273S92.6Very high95.3Very high46 Ų4664.7 Ų64.732%0.32233%0.327SS..SBendtrans-155157.5176.565.80000111.5F271 S275 Q276 Y277F271-S273 PolarHBondContact O-N 2.91Å; S273-S275 PolarHBondContact O-N 3.3Å; S273-Q276 PolarHBondContact O-N 3.38Å; S273-Q276 VanDerWaalsContact O-N 3.14Å; S273-Q276 PolarHBondContact OG-N 2.82Å; S273-Q276 VanDerWaalsContact OG-N 3.17Å; S273-Y277 PolarHBondContact O-N 3.44Å
274P91.8Very high95.3Very high101 Ų10168.7 Ų68.766%0.65635%0.348SS*.Hα-helixtrans-55.7-36.6170.7-26.535.4000113Q276 Y277 Y278P274-Q276 VanDerWaalsContact C-N 3.34Å; P274-Q276 PolarHBondContact O-N 2.9Å; P274-Y277 WeakPolarHBondContact O-CB 3.35Å; P274-Y277 PolarHBondContact O-N 2.95Å; P274-Y278 WeakPolarHBondContact O-CD2 3.45Å; P274-Y278 PolarHBondContact O-N 3.28Å
275S95.2Very high95.4Very high71 Ų7172.5 Ų72.550%0.49736%0.363SS..Hα-helixtrans-62.2-41.4177.4-174.30000111.9S273 Y277 Y278 Q279S273-S275 PolarHBondContact O-N 3.3Å; S275-Y277 VanDerWaalsContact C-N 3.32Å; S275-Y277 PolarHBondContact O-N 3.38Å; S275-Y278 PolarHBondContact O-N 3.01Å; S275-Q279 VanDerWaalsContact O-CG 3.31Å; S275-Q279 WeakPolarHBondContact O-CG 3.39Å; S275-Q279 PolarHBondContact O-N 2.92Å
276Q94.8Very high95.4Very high42 Ų4272.7 Ų72.720%0.19638%0.375CS..Hα-helixtrans-64.7-39177.7-166-171.824.300111.1Q72 F271 S272 S273 P274 Q279 N280Q72-Q276 VanDerWaalsContact OE1-CD 3.23Å; F271-Q276 HydrophobicContact CD1-CB 4.01Å; F271-Q276 HydrophobicContact CD1-CG 3.8Å; F271-Q276 HydrophobicContact CE1-CG 4.39Å; S272-Q276 PolarHBondContact OG-OE1 3.36Å; S273-Q276 PolarHBondContact O-N 3.38Å; S273-Q276 VanDerWaalsContact O-N 3.14Å; S273-Q276 PolarHBondContact OG-N 2.82Å; S273-Q276 VanDerWaalsContact OG-N 3.17Å; P274-Q276 VanDerWaalsContact C-N 3.34Å; P274-Q276 PolarHBondContact O-N 2.9Å; Q276-Q279 PolarHBondContact O-N 3.02Å; Q276-N280 PolarHBondContact O-N 2.85Å; Q276-N280 PolarHBondContact O-ND2 3.42Å
277Y95.4Very high95.5Very high12 Ų1267.9 Ų67.95%0.04736%0.362CS..Hα-helixtrans-60.5-52.2171.9161.6-111.3000111.2F19 S53 V55 F271 S273 P274 S275 Q279 N280 S281F19-Y277 AromaticContact CD1-CD2 3.28Å; F19-Y277 HydrophobicContact CD1-CD2 3.28Å; F19-Y277 AromaticContact CD1-CE2 3.64Å; F19-Y277 HydrophobicContact CD1-CE2 3.64Å; F19-Y277 AromaticContact CD1-CG 3.86Å; F19-Y277 HydrophobicContact CD1-CG 3.86Å; F19-Y277 AromaticContact CE1-CD1 3.92Å; F19-Y277 HydrophobicContact CE1-CD1 3.92Å; F19-Y277 AromaticContact CE1-CD2 3.3Å; F19-Y277 HydrophobicContact CE1-CD2 3.3Å; F19-Y277 HydrophobicContact CE1-CE1 4.4Å; F19-Y277 AromaticContact CE1-CE2 3.87Å; F19-Y277 HydrophobicContact CE1-CE2 3.87Å; F19-Y277 AromaticContact CE1-CG 3.33Å; F19-Y277 HydrophobicContact CE1-CG 3.33Å; F19-Y277 HydrophobicContact CG-CD2 4.46Å; F19-Y277 HydrophobicContact CZ-CD2 4.48Å; F19-Y277 HydrophobicContact CZ-CG 4.26Å; S53-Y277 WeakPolarHBondContact CB-OH 3Å; V55-Y277 HydrophobicContact CG2-CD2 4.15Å; V55-Y277 HydrophobicContact CG2-CE2 4.09Å; F271-Y277 HydrophobicContact CD2-CD2 4.41Å; F271-Y277 HydrophobicContact CE2-CD2 4.21Å; S273-Y277 PolarHBondContact O-N 3.44Å; P274-Y277 WeakPolarHBondContact O-CB 3.35Å; P274-Y277 PolarHBondContact O-N 2.95Å; S275-Y277 VanDerWaalsContact C-N 3.32Å; S275-Y277 PolarHBondContact O-N 3.38Å; Y277-Q279 PolarHBondContact O-N 2.81Å; Y277-N280 CarbonylContact O-C 3.56Å; Y277-N280 WeakPolarHBondContact O-CA 3.47Å; Y277-N280 PolarHBondContact O-N 3.05Å; Y277-S281 PolarHBondContact O-N 2.97Å; Y277-S281 PolarHBondContact OH-OG 3.48Å
278Y95.8Very high95.4Very high140 Ų14072 Ų7255%0.54938%0.38SS..Hα-helixtrans-62.8-28.4-176.7-79.6-67.1000112.9P274 S275 N280 N284P274-Y278 WeakPolarHBondContact O-CD2 3.45Å; P274-Y278 PolarHBondContact O-N 3.28Å; S275-Y278 PolarHBondContact O-N 3.01Å; Y278-N280 VanDerWaalsContact C-N 3.29Å; Y278-N280 PolarHBondContact O-N 2.94Å; Y278-N284 PolarHBondContact O-ND2 3.28Å; Y278-N284 PolarHBondContact O-OD1 3.06Å
279Q96.1Very high95.4Very high133 Ų13368.8 Ų68.862%0.62137%0.366SS*.Hα-helixtrans-66.5-28.4171.2-73.1168.40.500113.5S275 Q276 Y277 N284S275-Q279 VanDerWaalsContact O-CG 3.31Å; S275-Q279 WeakPolarHBondContact O-CG 3.39Å; S275-Q279 PolarHBondContact O-N 2.92Å; Q276-Q279 PolarHBondContact O-N 3.02Å; Y277-Q279 PolarHBondContact O-N 2.81Å; Q279-N284 PolarHBondContact O-ND2 2.81Å
280N96.8Very high95.2Very high40 Ų4067.7 Ų67.721%0.21436%0.361CS..THydrogen-bonded Turntrans-106.46.7-178.5-66-82000112.7V55 P56 L69 F271 Q276 Y277 Y278V55-N280 HydrophobicContact CG1-CB 4.25Å; P56-N280 WeakPolarHBondContact CD-O 3.36Å; L69-N280 HydrophobicContact CD2-CB 4.21Å; F271-N280 HydrophobicContact CE1-CB 4.07Å; F271-N280 HydrophobicContact CZ-CB 4.29Å; Q276-N280 PolarHBondContact O-N 2.85Å; Q276-N280 PolarHBondContact O-ND2 3.42Å; Y277-N280 CarbonylContact O-C 3.56Å; Y277-N280 WeakPolarHBondContact O-CA 3.47Å; Y277-N280 PolarHBondContact O-N 3.05Å; Y278-N280 VanDerWaalsContact C-N 3.29Å; Y278-N280 PolarHBondContact O-N 2.94Å
281S97.1Very high94.7Very high0 Ų065.6 Ų65.60%035%0.354CS..SBendtrans-77.3149.2-173.4-179.80000111.8Y277 F283 N284Y277-S281 PolarHBondContact O-N 2.97Å; Y277-S281 PolarHBondContact OH-OG 3.48Å; S281-F283 PolarHBondContact O-N 2.82Å; S281-F283 VanDerWaalsContact O-N 3.1Å; S281-F283 WeakPolarHBondContact OG-CD2 3.06Å; S281-F283 PolarHBondContact OG-N 3.44Å; S281-N284 PolarHBondContact N-ND2 3.18Å; S281-N284 PolarHBondContact O-N 3.37Å; S281-N284 PolarHBondContact O-ND2 3.29Å; S281-N284 VanDerWaalsContact O-ND2 3.08Å
282I97.9Very high94.2Very high1 Ų173.6 Ų73.61%0.00539%0.391CS..G310 helixtrans-56.4-23.9169.9-165.258000112.5V44 V54 P56 N284 Y285 Y301 F303V44-I282 HydrophobicContact CG1-CG1 3.96Å; V44-I282 HydrophobicContact CG1-CG2 4.19Å; V44-I282 HydrophobicContact CG2-CD1 4.37Å; V44-I282 HydrophobicContact CG2-CG1 4.16Å; V54-I282 HydrophobicContact CB-CB 4.14Å; V54-I282 HydrophobicContact CB-CG2 3.78Å; V54-I282 HydrophobicContact CG1-CB 3.95Å; V54-I282 HydrophobicContact CG1-CG1 4.35Å; V54-I282 HydrophobicContact CG1-CG2 4.13Å; V54-I282 PolarHBondContact O-N 2.03Å; V54-I282 VanDerWaalsContact O-N 3.1Å; P56-I282 HydrophobicContact CB-CD1 4.05Å; P56-I282 HydrophobicContact CG-CD1 3.94Å; I282-N284 PolarHBondContact O-N 2.88Å; I282-N284 VanDerWaalsContact O-N 3.16Å; I282-Y285 HydrophobicContact CD1-CD2 4.41Å; I282-Y285 PolarHBondContact O-N 2.84Å; I282-Y301 HydrophobicContact CD1-CD1 3.77Å; I282-Y301 HydrophobicContact CD1-CD2 4.21Å; I282-Y301 HydrophobicContact CD1-CE1 3.84Å; I282-Y301 HydrophobicContact CD1-CE2 4.32Å; I282-Y301 HydrophobicContact CD1-CG 3.94Å; I282-Y301 HydrophobicContact CG1-CD1 4.36Å; I282-Y301 HydrophobicContact CG1-CE1 3.91Å; I282-Y301 HydrophobicContact CG1-CE2 4.34Å; I282-F303 HydrophobicContact CD1-CZ 4.35Å
283F96.7Very high93.8Very high129 Ų12971.4 Ų71.457%0.56637%0.371SS*.G310 helixtrans-68.6-9.6-179.1-59.6-47.3000114.2L48 S281L48-F283 HydrophobicContact CD1-CE1 4.32Å; L48-F283 HydrophobicContact CD2-CE1 4.5Å; L48-F283 HydrophobicContact CD2-CZ 4.01Å; S281-F283 PolarHBondContact O-N 2.82Å; S281-F283 VanDerWaalsContact O-N 3.1Å; S281-F283 WeakPolarHBondContact OG-CD2 3.06Å; S281-F283 PolarHBondContact OG-N 3.44Å
284N97Very high93.5Very high99 Ų9972.4 Ų72.453%0.52939%0.388SS..G310 helixtrans-78.7-6.8169.2-60.6-56.3000113.3Y278 Q279 S281 I282Y278-N284 PolarHBondContact O-ND2 3.28Å; Y278-N284 PolarHBondContact O-OD1 3.06Å; Q279-N284 PolarHBondContact O-ND2 2.81Å; S281-N284 PolarHBondContact N-ND2 3.18Å; S281-N284 PolarHBondContact O-N 3.37Å; S281-N284 PolarHBondContact O-ND2 3.29Å; S281-N284 VanDerWaalsContact O-ND2 3.08Å; I282-N284 PolarHBondContact O-N 2.88Å; I282-N284 VanDerWaalsContact O-N 3.16Å
285Y96.8Very high93.3Very high80 Ų8069.1 Ų69.131%0.31436%0.363SS..SBendtrans-116.4142.8-174.7-56.4-94000110.3P56 I282 Y301 F303P56-Y285 HydrophobicContact CG-CD2 4Å; P56-Y285 HydrophobicContact CG-CE2 3.6Å; I282-Y285 HydrophobicContact CD1-CD2 4.41Å; I282-Y285 PolarHBondContact O-N 2.84Å; Y285-Y301 WeakPolarHBondContact O-CE1 3.47Å; Y285-F303 AromaticContact CD1-CD1 3.81Å; Y285-F303 HydrophobicContact CD1-CD1 3.81Å; Y285-F303 AromaticContact CD1-CE1 3.77Å; Y285-F303 HydrophobicContact CD1-CE1 3.77Å; Y285-F303 HydrophobicContact CD2-CE1 4.24Å; Y285-F303 AromaticContact CE1-CD1 3.54Å; Y285-F303 HydrophobicContact CE1-CD1 3.54Å; Y285-F303 AromaticContact CE1-CE1 3.81Å; Y285-F303 HydrophobicContact CE1-CE1 3.81Å; Y285-F303 HydrophobicContact CE2-CE1 4.28Å; Y285-F303 HydrophobicContact CG-CD1 4.49Å; Y285-F303 AromaticContact CG-CE1 3.99Å; Y285-F303 HydrophobicContact CG-CE1 3.99Å
286C95.5Very high93Very high109 Ų10971.2 Ų71.274%0.73636%0.363SS*.PPolyproline II helixtrans-103.2126.1172.6-68.60000109.4
287P96.3Very high92.9Very high37 Ų3769.4 Ų69.424%0.2435%0.354CS..PPolyproline II helixtrans-69.9142.7173.629.2-31.1000110.4Q299 A300 Y301P287-Q299 HydrophobicContact CB-CB 4.1Å; P287-A300 CarbonylContact C-O 3.55Å; P287-A300 WeakPolarHBondContact CA-O 3.35Å; P287-Y301 HydrophobicContact CB-CD1 4.2Å; P287-Y301 HydrophobicContact CB-CD2 4.26Å; P287-Y301 HydrophobicContact CB-CE1 3.92Å; P287-Y301 HydrophobicContact CB-CE2 3.94Å; P287-Y301 HydrophobicContact CB-CG 4.38Å; P287-Y301 HydrophobicContact CG-CE1 4.07Å; P287-Y301 HydrophobicContact CG-CE2 4.44Å
288Q94Very high92.9Very high97 Ų9771.1 Ų71.145%0.45336%0.363SS..EExtended strand (participates in β ladder)trans-92.5143174.4-65.7-76.6-19.100109.6T290 M293 Q299 A300 F302Q288-T290 PolarHBondContact O-N 2.92Å; Q288-M293 HydrophobicContact CB-CE 4Å; Q288-Q299 VanDerWaalsContact O-CA 3.24Å; Q288-Q299 WeakPolarHBondContact O-CA 3.36Å; Q288-A300 PolarHBondContact N-O 3.21Å; Q288-A300 PolarHBondContact O-N 3.25Å; Q288-A300 VanDerWaalsContact O-N 3.14Å; Q288-F302 HydrophobicContact CB-CD2 4.2Å; Q288-F302 HydrophobicContact CB-CE2 3.99Å; Q288-F302 HydrophobicContact CG-CD2 4.01Å; Q288-F302 HydrophobicContact CG-CE2 4.26Å
289F94.3Very high92.9Very high103 Ų10367.4 Ų67.445%0.45235%0.35SS..EExtended strand (participates in β ladder)trans-71.1120.7167.7174.4-119.4000109.5Q292 E298F289-Q292 HydrophobicContact CD1-CG 3.98Å; F289-Q292 HydrophobicContact CE1-CG 3.92Å; F289-E298 WeakPolarHBondContact CA-O 2.94Å; F289-E298 WeakPolarHBondContact CD2-O 3.38Å
290T92.1Very high92.9Very high0 Ų061.1 Ų61.10%032%0.321CS..  trans-99.8-8.8-168.441.90000113.5Q288 Q292 M293 G294 Y295 F297 E298 Q299 A300 F302Q288-T290 PolarHBondContact O-N 2.92Å; T290-Q292 VanDerWaalsContact C-N 3.27Å; T290-Q292 PolarHBondContact O-N 2.68Å; T290-M293 HydrophobicContact CG2-CE 4.5Å; T290-M293 HydrophobicContact CG2-SD 4.02Å; T290-M293 WeakPolarHBondContact O-CA 3.34Å; T290-M293 WeakPolarHBondContact O-CB 3.43Å; T290-M293 PolarHBondContact O-N 2.78Å; T290-G294 PolarHBondContact O-N 3.03Å; T290-Y295 HydrophobicContact CG2-CD2 4.24Å; T290-Y295 PolarHBondContact O-N 2.92Å; T290-F297 HydrophobicContact CG2-CD2 4.24Å; T290-F297 HydrophobicContact CG2-CE2 3.78Å; T290-F297 WeakPolarHBondContact OG1-CD2 3.36Å; T290-F297 WeakPolarHBondContact OG1-CE2 3.05Å; T290-F297 PolarHBondContact OG1-O 2.95Å; T290-E298 PolarHBondContact N-O 3.15Å; T290-E298 PolarHBondContact OG1-O 2.86Å; T290-E298 VanDerWaalsContact OG1-O 3.09Å; T290-Q299 PolarHBondContact OG1-N 2.87Å; T290-A300 HydrophobicContact CG2-CB 3.81Å; T290-F302 HydrophobicContact CG2-CE2 4.07Å; T290-F302 HydrophobicContact CG2-CZ 4.16Å
291G85.8Confident92.9Very high28 Ų2860 Ų6029%0.28931%0.314SS..G310 helixtrans-58.9-36.5176.200000113.2M293 G294G291-M293 PolarHBondContact O-N 3.33Å; G291-G294 PolarHBondContact O-N 3.13Å
292Q83.3Confident92.7Very high177 Ų17761.2 Ų61.283%0.82732%0.319SS*.G310 helixtrans-67-20.2174.9-70.4-178.8-3.300113.5F289 T290 G294F289-Q292 HydrophobicContact CD1-CG 3.98Å; F289-Q292 HydrophobicContact CE1-CG 3.92Å; T290-Q292 VanDerWaalsContact C-N 3.27Å; T290-Q292 PolarHBondContact O-N 2.68Å; Q292-G294 VanDerWaalsContact C-N 3.29Å
293M85.1Confident92.6Very high55 Ų5561.2 Ų61.227%0.27132%0.319SS..G310 helixtrans-88.50.2176.3-50.6175.6-169.700111.9F34 Q288 T290 G291 Y295 F302F34-M293 HydrophobicContact CD1-CE 4Å; F34-M293 HydrophobicContact CD2-CE 4.33Å; F34-M293 HydrophobicContact CD2-SD 4.1Å; F34-M293 HydrophobicContact CE1-CE 3.46Å; F34-M293 VanDerWaalsContact CE1-CE 3.46Å; F34-M293 HydrophobicContact CE1-SD 4.37Å; F34-M293 HydrophobicContact CE2-CE 3.85Å; F34-M293 HydrophobicContact CE2-CG 4.27Å; F34-M293 HydrophobicContact CE2-SD 3.63Å; F34-M293 HydrophobicContact CG-CE 4.42Å; F34-M293 HydrophobicContact CZ-CE 3.38Å; F34-M293 HydrophobicContact CZ-CG 4.25Å; F34-M293 HydrophobicContact CZ-SD 3.79Å; Q288-M293 HydrophobicContact CB-CE 4Å; T290-M293 HydrophobicContact CG2-CE 4.5Å; T290-M293 HydrophobicContact CG2-SD 4.02Å; T290-M293 WeakPolarHBondContact O-CA 3.34Å; T290-M293 WeakPolarHBondContact O-CB 3.43Å; T290-M293 PolarHBondContact O-N 2.78Å; G291-M293 PolarHBondContact O-N 3.33Å; M293-Y295 HydrophobicContact CB-CD2 3.78Å; M293-Y295 HydrophobicContact CB-CE2 4.19Å; M293-Y295 HydrophobicContact SD-CD2 4.44Å; M293-F302 HydrophobicContact CE-CE2 4.15Å; M293-F302 HydrophobicContact CE-CZ 4.48Å; M293-F302 HydrophobicContact SD-CE2 4.17Å; M293-F302 HydrophobicContact SD-CZ 3.92Å
294G85.5Confident92.3Very high66 Ų6662 Ų6268%0.6833%0.325SS*.THydrogen-bonded Turntrans83.69.8-177.800000114.3T290 G291 Q292T290-G294 PolarHBondContact O-N 3.03Å; G291-G294 PolarHBondContact O-N 3.13Å; Q292-G294 VanDerWaalsContact C-N 3.29Å
295Y88.7Confident92Very high33 Ų3360.2 Ų60.213%0.12931%0.314CS..  trans-78.2152.4175.2-74.9-64.1000112.5E31 T290 M293 F297E31-Y295 HydrophobicContact CG-CE2 3.81Å; E31-Y295 WeakPolarHBondContact CG-OH 3.42Å; E31-Y295 VanDerWaalsContact OE1-CZ 3.24Å; E31-Y295 PolarHBondContact OE1-OH 2.95Å; T290-Y295 HydrophobicContact CG2-CD2 4.24Å; T290-Y295 PolarHBondContact O-N 2.92Å; M293-Y295 HydrophobicContact CB-CD2 3.78Å; M293-Y295 HydrophobicContact CB-CE2 4.19Å; M293-Y295 HydrophobicContact SD-CD2 4.44Å; Y295-F297 HydrophobicContact CD1-CD1 4.21Å; Y295-F297 AromaticContact CD1-CE1 3.18Å; Y295-F297 HydrophobicContact CD1-CE1 3.18Å; Y295-F297 HydrophobicContact CD1-CE2 4.15Å; Y295-F297 AromaticContact CD1-CZ 3.15Å; Y295-F297 HydrophobicContact CD1-CZ 3.15Å; Y295-F297 HydrophobicContact CD2-CE1 4.49Å; Y295-F297 HydrophobicContact CD2-CE2 4.02Å; Y295-F297 AromaticContact CD2-CZ 3.7Å; Y295-F297 HydrophobicContact CD2-CZ 3.7Å; Y295-F297 AromaticContact CE1-CE1 3.76Å; Y295-F297 HydrophobicContact CE1-CE1 3.76Å; Y295-F297 AromaticContact CE1-CZ 3.53Å; Y295-F297 HydrophobicContact CE1-CZ 3.53Å; Y295-F297 HydrophobicContact CE2-CZ 4.07Å; Y295-F297 HydrophobicContact CG-CD1 4.42Å; Y295-F297 AromaticContact CG-CE1 3.59Å; Y295-F297 HydrophobicContact CG-CE1 3.59Å; Y295-F297 AromaticContact CG-CE2 3.77Å; Y295-F297 HydrophobicContact CG-CE2 3.77Å; Y295-F297 AromaticContact CG-CZ 3.21Å; Y295-F297 HydrophobicContact CG-CZ 3.21Å; Y295-F297 AromaticContact CZ-CZ 3.96Å
296K88.9Confident91.8Very high114 Ų11459.1 Ų59.150%0.49631%0.314SS..SBendtrans-98.311177.9-58.9178.3176.7-179.80113.2H238 S240 L241H238-K296 HydrophobicContact CB-CB 4.45Å; H238-K296 VanDerWaalsContact CB-O 3.29Å; H238-K296 WeakPolarHBondContact CB-O 3.46Å; S240-K296 WeakPolarHBondContact OG-CD 3.46Å; L241-K296 VanDerWaalsContact CD1-O 3.24Å; L241-K296 WeakPolarHBondContact CD1-O 3.27Å; L241-K296 HydrophobicContact CD2-CB 3.9Å; L241-K296 HydrophobicContact CD2-CD 4.21Å; L241-K296 HydrophobicContact CG-CB 4.39Å
297F92Very high91.6Very high5 Ų556.3 Ų56.32%0.02229%0.291CS..SBendtrans-109.9150.4167.144.4-90.9000108.4M38 T40 F82 E236 T290 Y295 A300M38-F297 HydrophobicContact CE-CE2 3.88Å; M38-F297 HydrophobicContact CE-CZ 3.72Å; M38-F297 HydrophobicContact SD-CZ 4.43Å; T40-F297 HydrophobicContact CG2-CB 3.7Å; T40-F297 HydrophobicContact CG2-CD2 3.89Å; T40-F297 HydrophobicContact CG2-CG 3.79Å; F82-F297 HydrophobicContact CE2-CD1 4.33Å; F82-F297 AromaticContact CE2-CE1 3.47Å; F82-F297 HydrophobicContact CE2-CE1 3.47Å; F82-F297 VanDerWaalsContact CE2-CE1 3.47Å; F82-F297 HydrophobicContact CE2-CZ 4.11Å; F82-F297 AromaticContact CZ-CD1 3.91Å; F82-F297 HydrophobicContact CZ-CD1 3.91Å; F82-F297 AromaticContact CZ-CE1 3.43Å; F82-F297 HydrophobicContact CZ-CE1 3.43Å; F82-F297 VanDerWaalsContact CZ-CE1 3.43Å; F82-F297 HydrophobicContact CZ-CZ 4.47Å; E236-F297 WeakPolarHBondContact OE2-CA 3.47Å; E236-F297 VanDerWaalsContact OE2-CB 3.28Å; E236-F297 WeakPolarHBondContact OE2-CB 3.49Å; T290-F297 HydrophobicContact CG2-CD2 4.24Å; T290-F297 HydrophobicContact CG2-CE2 3.78Å; T290-F297 WeakPolarHBondContact OG1-CD2 3.36Å; T290-F297 WeakPolarHBondContact OG1-CE2 3.05Å; T290-F297 PolarHBondContact OG1-O 2.95Å; Y295-F297 HydrophobicContact CD1-CD1 4.21Å; Y295-F297 AromaticContact CD1-CE1 3.18Å; Y295-F297 HydrophobicContact CD1-CE1 3.18Å; Y295-F297 HydrophobicContact CD1-CE2 4.15Å; Y295-F297 AromaticContact CD1-CZ 3.15Å; Y295-F297 HydrophobicContact CD1-CZ 3.15Å; Y295-F297 HydrophobicContact CD2-CE1 4.49Å; Y295-F297 HydrophobicContact CD2-CE2 4.02Å; Y295-F297 AromaticContact CD2-CZ 3.7Å; Y295-F297 HydrophobicContact CD2-CZ 3.7Å; Y295-F297 AromaticContact CE1-CE1 3.76Å; Y295-F297 HydrophobicContact CE1-CE1 3.76Å; Y295-F297 AromaticContact CE1-CZ 3.53Å; Y295-F297 HydrophobicContact CE1-CZ 3.53Å; Y295-F297 HydrophobicContact CE2-CZ 4.07Å; Y295-F297 HydrophobicContact CG-CD1 4.42Å; Y295-F297 AromaticContact CG-CE1 3.59Å; Y295-F297 HydrophobicContact CG-CE1 3.59Å; Y295-F297 AromaticContact CG-CE2 3.77Å; Y295-F297 HydrophobicContact CG-CE2 3.77Å; Y295-F297 AromaticContact CG-CZ 3.21Å; Y295-F297 HydrophobicContact CG-CZ 3.21Å; Y295-F297 AromaticContact CZ-CZ 3.96Å; F297-A300 HydrophobicContact CD2-CB 4.25Å; F297-A300 HydrophobicContact CE2-CB 3.77Å
298E94.4Very high91.3Very high47 Ų4757.5 Ų57.522%0.2229%0.294CS..SBendtrans-70-46.2-172-58.3-50.4145.500111.3E236 Q237 H238 F289 T290E236-E298 PolarHBondContact OE2-N 3.27Å; Q237-E298 VanDerWaalsContact C-OE1 3.22Å; Q237-E298 VanDerWaalsContact CA-OE1 3.26Å; Q237-E298 WeakPolarHBondContact CA-OE1 3.37Å; Q237-E298 HydrophobicContact CB-CG 4.39Å; Q237-E298 WeakPolarHBondContact CB-OE1 3.31Å; Q237-E298 PolarHBondContact N-OE1 3.44Å; H238-E298 PolarHBondContact N-OE1 3.38Å; F289-E298 WeakPolarHBondContact CA-O 2.94Å; F289-E298 WeakPolarHBondContact CD2-O 3.38Å; T290-E298 PolarHBondContact N-O 3.15Å; T290-E298 PolarHBondContact OG1-O 2.86Å; T290-E298 VanDerWaalsContact OG1-O 3.09Å
299Q96.3Very high91.1Very high63 Ų6355 Ų5529%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-142.5146.7-171.1-76.1-178-54.500112.7A41 Y45 P287 Q288 T290A41-Q299 HydrophobicContact CB-CB 3.66Å; A41-Q299 WeakPolarHBondContact CB-O 3.17Å; A41-Q299 PolarHBondContact N-O 3.48Å; Y45-Q299 PolarHBondContact OH-OE1 2.96Å; P287-Q299 HydrophobicContact CB-CB 4.1Å; Q288-Q299 VanDerWaalsContact O-CA 3.24Å; Q288-Q299 WeakPolarHBondContact O-CA 3.36Å; T290-Q299 PolarHBondContact OG1-N 2.87Å
300A95.7Very high90.9Very high0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-141.2151.616900000112.5M38 M39 P287 Q288 T290 F297 F302M38-A300 HydrophobicContact CE-CB 3.75Å; M39-A300 CarbonylContact O-C 3.51Å; M39-A300 WeakPolarHBondContact O-CA 3.45Å; P287-A300 CarbonylContact C-O 3.55Å; P287-A300 WeakPolarHBondContact CA-O 3.35Å; Q288-A300 PolarHBondContact N-O 3.21Å; Q288-A300 PolarHBondContact O-N 3.25Å; Q288-A300 VanDerWaalsContact O-N 3.14Å; T290-A300 HydrophobicContact CG2-CB 3.81Å; F297-A300 HydrophobicContact CD2-CB 4.25Å; F297-A300 HydrophobicContact CE2-CB 3.77Å; A300-F302 HydrophobicContact CB-CE2 4.13Å; A300-F302 HydrophobicContact CB-CZ 4.29Å
301Y96.4Very high90.9Very high17 Ų1755.5 Ų55.57%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-91.2134.8166.9-62.6-92.5000108.8M38 M39 A41 V44 I282 Y285 P287M38-Y301 CarbonylContact C-O 3.59Å; M38-Y301 WeakPolarHBondContact CA-O 3.03Å; M38-Y301 WeakPolarHBondContact CB-O 3.14Å; M39-Y301 PolarHBondContact N-O 3.46Å; M39-Y301 PolarHBondContact O-N 3.44Å; A41-Y301 HydrophobicContact CB-CD2 4.23Å; A41-Y301 HydrophobicContact CB-CE2 3.8Å; V44-Y301 HydrophobicContact CB-CE2 4.17Å; V44-Y301 HydrophobicContact CG1-CE2 4.41Å; V44-Y301 HydrophobicContact CG2-CD2 4.03Å; V44-Y301 HydrophobicContact CG2-CE2 3.7Å; I282-Y301 HydrophobicContact CD1-CD1 3.77Å; I282-Y301 HydrophobicContact CD1-CD2 4.21Å; I282-Y301 HydrophobicContact CD1-CE1 3.84Å; I282-Y301 HydrophobicContact CD1-CE2 4.32Å; I282-Y301 HydrophobicContact CD1-CG 3.94Å; I282-Y301 HydrophobicContact CG1-CD1 4.36Å; I282-Y301 HydrophobicContact CG1-CE1 3.91Å; I282-Y301 HydrophobicContact CG1-CE2 4.34Å; Y285-Y301 WeakPolarHBondContact O-CE1 3.47Å; P287-Y301 HydrophobicContact CB-CD1 4.2Å; P287-Y301 HydrophobicContact CB-CD2 4.26Å; P287-Y301 HydrophobicContact CB-CE1 3.92Å; P287-Y301 HydrophobicContact CB-CE2 3.94Å; P287-Y301 HydrophobicContact CB-CG 4.38Å; P287-Y301 HydrophobicContact CG-CE1 4.07Å; P287-Y301 HydrophobicContact CG-CE2 4.44Å
302F94.9Very high91.2Very high25 Ų2557.6 Ų57.611%0.1129%0.292CS..EExtended strand (participates in β ladder)trans-114.8139.6174.3-63.5-88.9000109.3E31 F34 M38 Q288 T290 M293 A300E31-F302 HydrophobicContact CB-CE1 4.17Å; E31-F302 HydrophobicContact CG-CE1 4.5Å; F34-F302 HydrophobicContact CB-CB 3.91Å; F34-F302 HydrophobicContact CB-CD1 3.52Å; F34-F302 HydrophobicContact CB-CD2 3.98Å; F34-F302 HydrophobicContact CB-CE1 3.95Å; F34-F302 HydrophobicContact CB-CE2 4.36Å; F34-F302 HydrophobicContact CB-CG 3.53Å; F34-F302 HydrophobicContact CB-CZ 4.35Å; F34-F302 HydrophobicContact CD2-CE1 4.48Å; F34-F302 HydrophobicContact CD2-CZ 4.49Å; F34-F302 HydrophobicContact CG-CD1 4.43Å; F34-F302 HydrophobicContact CG-CD2 4.46Å; F34-F302 HydrophobicContact CG-CE1 4.44Å; F34-F302 HydrophobicContact CG-CE2 4.47Å; F34-F302 HydrophobicContact CG-CG 4.44Å; F34-F302 HydrophobicContact CG-CZ 4.45Å; F34-F302 VanDerWaalsContact O-CB 3.31Å; F34-F302 WeakPolarHBondContact O-CB 3.23Å; M38-F302 HydrophobicContact CB-CD1 3.95Å; M38-F302 HydrophobicContact CB-CE1 4.13Å; Q288-F302 HydrophobicContact CB-CD2 4.2Å; Q288-F302 HydrophobicContact CB-CE2 3.99Å; Q288-F302 HydrophobicContact CG-CD2 4.01Å; Q288-F302 HydrophobicContact CG-CE2 4.26Å; T290-F302 HydrophobicContact CG2-CE2 4.07Å; T290-F302 HydrophobicContact CG2-CZ 4.16Å; M293-F302 HydrophobicContact CE-CE2 4.15Å; M293-F302 HydrophobicContact CE-CZ 4.48Å; M293-F302 HydrophobicContact SD-CE2 4.17Å; M293-F302 HydrophobicContact SD-CZ 3.92Å; A300-F302 HydrophobicContact CB-CE2 4.13Å; A300-F302 HydrophobicContact CB-CZ 4.29Å
303F95.4Very high91.9Very high2 Ų247.7 Ų47.71%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-124.5129.9-175.6-51.2-80.9000109.8A24 G35 N36 S37 M39 P56 P58 I282 Y285A24-F303 HydrophobicContact CB-CD2 3.85Å; A24-F303 HydrophobicContact CB-CE2 4.05Å; G35-F303 CarbonylContact C-O 3.57Å; G35-F303 WeakPolarHBondContact CA-O 3.24Å; N36-F303 PolarHBondContact N-O 2.85Å; S37-F303 PolarHBondContact N-O 3.47Å; S37-F303 PolarHBondContact O-N 2.81Å; M39-F303 HydrophobicContact CB-CE2 3.74Å; M39-F303 HydrophobicContact CB-CZ 4.27Å; M39-F303 HydrophobicContact CE-CE2 4.04Å; M39-F303 HydrophobicContact CE-CZ 3.94Å; P56-F303 HydrophobicContact CB-CD1 4.45Å; P56-F303 HydrophobicContact CB-CE1 3.51Å; P56-F303 HydrophobicContact CB-CE2 4.48Å; P56-F303 HydrophobicContact CB-CZ 3.52Å; P56-F303 HydrophobicContact CG-CE1 3.91Å; P56-F303 HydrophobicContact CG-CZ 4.35Å; P58-F303 HydrophobicContact CB-CB 3.8Å; P58-F303 HydrophobicContact CB-CG 4.18Å; P58-F303 HydrophobicContact CG-CB 3.87Å; P58-F303 HydrophobicContact CG-CD1 3.8Å; P58-F303 HydrophobicContact CG-CG 3.84Å; I282-F303 HydrophobicContact CD1-CZ 4.35Å; Y285-F303 AromaticContact CD1-CD1 3.81Å; Y285-F303 HydrophobicContact CD1-CD1 3.81Å; Y285-F303 AromaticContact CD1-CE1 3.77Å; Y285-F303 HydrophobicContact CD1-CE1 3.77Å; Y285-F303 HydrophobicContact CD2-CE1 4.24Å; Y285-F303 AromaticContact CE1-CD1 3.54Å; Y285-F303 HydrophobicContact CE1-CD1 3.54Å; Y285-F303 AromaticContact CE1-CE1 3.81Å; Y285-F303 HydrophobicContact CE1-CE1 3.81Å; Y285-F303 HydrophobicContact CE2-CE1 4.28Å; Y285-F303 HydrophobicContact CG-CD1 4.49Å; Y285-F303 AromaticContact CG-CE1 3.99Å; Y285-F303 HydrophobicContact CG-CE1 3.99Å
304Q89.4Confident92.5Very high145 Ų14547 Ų4768%0.67825%0.246SC*.  trans-74.60171.8-61.2-70.6-27.700110.7F34 N36 S60F34-Q304 PolarHBondContact O-NE2 3.46Å; F34-Q304 VanDerWaalsContact O-NE2 3.15Å; N36-Q304 PolarHBondContact ND2-OXT 3.31Å; S60-Q304 WeakPolarHBondContact CB-O 3.38Å; S60-Q304 PolarHBondContact OG-O 3.28Å

Retrieved 304 of 304 residues in 221.4 ms (Link to these results)

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