A0A077ZI00_TRITR Loading...

Ribokinase

Catalyzes the phosphorylation of ribose at O-5 in a reaction requiring ATP and magnesium. The resulting D-ribose-5-phosphate can then be used either for sythesis of nucleotides, histidine, and tryptophan, or as a component of the pentose phosphate pathway.

AlphaFold DB , UniProt , Accession A0A077ZI00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 305 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
1M31.2Very low47.1Very low246 Ų24658.5 Ų58.5100%1.21232%0.317SS*.  0115.60-73.5173-172.100108.1
2S34.3Very low50.1Low76 Ų7655.2 Ų55.253%0.53130%0.301SS..  trans48.686.7-176.6-167.30000117.1Q4S2-Q4 PolarHBondContact O-N 3.05Å
3S32.4Very low52.9Low115 Ų11552.8 Ų52.880%0.80429%0.288SS*.  trans-75.833.3166.157.60000113K5S3-K5 PolarHBondContact O-N 2.99Å
4Q37.7Very low55.4Low56 Ų5651.4 Ų51.426%0.26228%0.28SS..  trans-80.676.3171.2-77-173-15.100108.8S2 F6 K121S2-Q4 PolarHBondContact O-N 3.05Å; Q4-F6 HydrophobicContact CB-CE2 3.62Å; Q4-F6 HydrophobicContact CB-CZ 4Å; Q4-F6 HydrophobicContact CG-CE2 4.07Å; Q4-F6 HydrophobicContact CG-CZ 4.03Å; Q4-K121 PolarHBondContact NE2-O 3.41Å; Q4-K121 PolarHBondContact OE1-O 3.41Å
5K35.8Very low57.8Low104 Ų10451.1 Ų51.145%0.45228%0.283SS..  trans-104.1140.4168.4-53.8-175.7175.7-173.50106.3S3 C80 G81S3-K5 PolarHBondContact O-N 2.99Å; K5-C80 VanDerWaalsContact CB-O 3.3Å; K5-C80 WeakPolarHBondContact CB-O 3.34Å; K5-G81 WeakPolarHBondContact O-CA 3.46Å; K5-G81 PolarHBondContact O-N 2.86Å
6F43.6Very low59.9Low22 Ų2252.3 Ų52.310%0.09628%0.282CS..BIsolated β-bridgetrans-135.4171.7-175-62.5-62.4000111.4Q4 V56 I57 C80 G81 L83 A122Q4-F6 HydrophobicContact CB-CE2 3.62Å; Q4-F6 HydrophobicContact CB-CZ 4Å; Q4-F6 HydrophobicContact CG-CE2 4.07Å; Q4-F6 HydrophobicContact CG-CZ 4.03Å; F6-V56 CarbonylContact C-O 3.5Å; F6-V56 CarbonylContact O-C 3.58Å; F6-I57 HydrophobicContact CB-CB 4.12Å; F6-I57 HydrophobicContact CB-CG1 4.2Å; F6-I57 HydrophobicContact CB-CG2 3.84Å; F6-I57 HydrophobicContact CG-CG2 4.45Å; F6-C80 WeakPolarHBondContact O-CA 3.32Å; F6-C80 WeakPolarHBondContact O-CB 3.35Å; F6-G81 VanDerWaalsContact N-N 3.15Å; F6-G81 PolarHBondContact O-N 3.29Å; F6-L83 HydrophobicContact CD1-CD1 3.35Å; F6-L83 HydrophobicContact CD1-CD2 4.28Å; F6-L83 HydrophobicContact CD1-CG 3.59Å; F6-L83 HydrophobicContact CE1-CD1 3.69Å; F6-L83 HydrophobicContact CE1-CD2 4.05Å; F6-L83 HydrophobicContact CE1-CG 3.88Å; F6-L83 HydrophobicContact CG-CD1 4.27Å; F6-A122 HydrophobicContact CD2-CB 3.71Å; F6-A122 HydrophobicContact CE2-CB 3.56Å
7D54.3Low61.9Low0 Ų049.7 Ų49.70%027%0.269CS..  trans-97.6-159.4-147.5-49-117.7000117.9V56 I57 G58 I60 G81 T82 L83D7-V56 VanDerWaalsContact O-CB 3.31Å; D7-V56 WeakPolarHBondContact O-CB 3.04Å; D7-V56 WeakPolarHBondContact O-CG1 3.39Å; D7-I57 CarbonylContact O-C 3.47Å; D7-G58 VanDerWaalsContact CB-C 3.46Å; D7-G58 WeakPolarHBondContact CB-O 3.43Å; D7-G58 VanDerWaalsContact N-N 3.17Å; D7-G58 PolarHBondContact N-O 3.48Å; D7-G58 WeakPolarHBondContact O-CA 3.25Å; D7-G58 PolarHBondContact O-N 2.96Å; D7-I60 HydrophobicContact CB-CG2 4.26Å; D7-G81 VanDerWaalsContact CG-O 3.32Å; D7-T82 WeakPolarHBondContact OD1-CA 3.27Å; D7-L83 PolarHBondContact OD1-N 3.02Å; D7-L83 WeakPolarHBondContact OD2-CA 3.47Å; D7-L83 VanDerWaalsContact OD2-CB 3.25Å; D7-L83 WeakPolarHBondContact OD2-CB 3.49Å; D7-L83 PolarHBondContact OD2-N 3.5Å
8I52.5Low63.6Low6 Ų650.6 Ų50.63%0.03128%0.277CS..  trans-145.7148.1-143.9-47.4178.6000107.3A41 I60 A69 V70 L73 C80I8-A41 HydrophobicContact CG2-CB 4.14Å; I8-I60 HydrophobicContact CB-CG2 4.41Å; I8-I60 WeakPolarHBondContact O-CG2 3.32Å; I8-A69 HydrophobicContact CB-CB 4.36Å; I8-A69 VanDerWaalsContact CD1-O 3.27Å; I8-A69 WeakPolarHBondContact CD1-O 3.38Å; I8-A69 HydrophobicContact CG2-CB 3.78Å; I8-V70 HydrophobicContact CD1-CB 3.91Å; I8-V70 HydrophobicContact CD1-CG2 3.55Å; I8-V70 HydrophobicContact CG1-CG2 4.28Å; I8-L73 HydrophobicContact CB-CD1 3.91Å; I8-L73 HydrophobicContact CB-CG 4.4Å; I8-L73 HydrophobicContact CD1-CB 3.64Å; I8-L73 HydrophobicContact CD1-CD1 3.36Å; I8-L73 HydrophobicContact CD1-CG 3.53Å; I8-L73 HydrophobicContact CG1-CB 4.46Å; I8-L73 HydrophobicContact CG1-CD1 3.26Å; I8-L73 HydrophobicContact CG1-CG 3.95Å; I8-L73 HydrophobicContact CG2-CD1 3.64Å; I8-L73 HydrophobicContact CG2-CG 3.71Å; I8-C80 HydrophobicContact CD1-CB 3.93Å; I8-C80 HydrophobicContact CG1-CB 4.02Å
9N52.1Low65.2Low10 Ų1053.8 Ų53.85%0.05329%0.285CS..  trans-141.7149.9179.4-80.3-37.9000114.8G37 G38 K59 N111 H138N9-G37 CarbonylContact O-C 3.55Å; N9-G38 WeakPolarHBondContact O-CA 3.18Å; N9-K59 PolarHBondContact OD1-O 3.17Å; N9-N111 VanDerWaalsContact CB-CG 3.47Å; N9-N111 WeakPolarHBondContact CB-ND2 3.35Å; N9-N111 WeakPolarHBondContact CB-OD1 3.49Å; N9-N111 WeakPolarHBondContact ND2-CA 3.4Å; N9-N111 WeakPolarHBondContact ND2-CB 3.49Å; N9-N111 PolarHBondContact ND2-OD1 3.34Å; N9-N111 VanDerWaalsContact ND2-OD1 3.13Å; N9-N111 PolarHBondContact OD1-OD1 2.71Å; N9-H138 PolarHBondContact ND2-CE1 2.97Å
10L66.1Low66.7Low2 Ų254.1 Ų54.11%0.0129%0.286CS..  trans79.1112.3167.7-67.8143.8000116.7G37 G90 T106 L108 N111 E137L10-G37 CarbonylContact O-C 3.6Å; L10-G37 VanDerWaalsContact O-C 3.29Å; L10-G37 WeakPolarHBondContact O-CA 3.43Å; L10-G37 PolarHBondContact O-N 3.42Å; L10-G90 VanDerWaalsContact CA-O 3.3Å; L10-G90 WeakPolarHBondContact CA-O 3.3Å; L10-T106 HydrophobicContact CD2-CG2 3.75Å; L10-L108 HydrophobicContact CD1-CD2 4.27Å; L10-N111 WeakPolarHBondContact CD1-ND2 3.48Å; L10-E137 VanDerWaalsContact CD1-CD 3.43Å; L10-E137 HydrophobicContact CD1-CG 4.42Å; L10-E137 WeakPolarHBondContact CD1-OE1 3.44Å; L10-E137 WeakPolarHBondContact CD1-OE2 3.28Å
11L78.5Confident68Low7 Ų753.9 Ų53.94%0.03729%0.288CS..EExtended strand (participates in β ladder)trans-91.3143158.4-90.7145.6000109.6G35 F36 F65 G90 V91 S92L11-G35 WeakPolarHBondContact CD2-O 3.28Å; L11-F36 HydrophobicContact CD2-CD1 3.72Å; L11-F36 HydrophobicContact CD2-CE1 3.62Å; L11-F36 HydrophobicContact CD2-CG 4.43Å; L11-F36 HydrophobicContact CD2-CZ 4.27Å; L11-F36 HydrophobicContact CG-CD1 4.1Å; L11-F36 HydrophobicContact CG-CE1 4.18Å; L11-F65 HydrophobicContact CD1-CB 3.25Å; L11-F65 HydrophobicContact CD1-CD1 3.51Å; L11-F65 HydrophobicContact CD1-CG 3.62Å; L11-F65 VanDerWaalsContact CD1-O 3.25Å; L11-F65 WeakPolarHBondContact CD1-O 3.42Å; L11-G90 PolarHBondContact N-O 2.93Å; L11-V91 CarbonylContact O-C 3.6Å; L11-V91 VanDerWaalsContact O-CA 3.29Å; L11-V91 WeakPolarHBondContact O-CA 3.47Å; L11-S92 PolarHBondContact O-N 3.26Å
12S82.2Confident71Confident18 Ų1847.3 Ų47.313%0.12626%0.257CS..EExtended strand (participates in β ladder)trans-106.7122177.2-57.50000109.6L14 G35 S92S12-L14 WeakPolarHBondContact O-CD1 3.38Å; S12-G35 PolarHBondContact N-O 3.09Å; S12-G35 PolarHBondContact O-N 3.36Å; S12-S92 CarbonylContact C-O 3.6Å; S12-S92 WeakPolarHBondContact CA-O 3.38Å
13N87.3Confident73.9Confident24 Ų2450.1 Ų50.113%0.12827%0.273CS..EExtended strand (participates in β ladder)trans-97.2109.3170.8-60.7-34.8000107.6F32 L34 S92 N93 V94N13-F32 HydrophobicContact CB-CE2 4.07Å; N13-F32 HydrophobicContact CB-CZ 4.25Å; N13-L34 WeakPolarHBondContact OD1-CD2 3.32Å; N13-S92 PolarHBondContact N-O 3.02Å; N13-N93 PolarHBondContact ND2-OD1 2.89Å; N13-V94 PolarHBondContact O-N 3.14Å
14L87.8Confident76.9Confident34 Ų3449 Ų4918%0.17828%0.28CS..EExtended strand (participates in β ladder)trans-104.8118.1-177.7-65.983.9000110S12 Y16 F32 S33 V94S12-L14 WeakPolarHBondContact O-CD1 3.38Å; L14-Y16 HydrophobicContact CB-CE2 4.14Å; L14-F32 CarbonylContact O-C 3.55Å; L14-F32 WeakPolarHBondContact O-CA 3.14Å; L14-F32 WeakPolarHBondContact O-CD2 3.26Å; L14-S33 PolarHBondContact N-O 3Å; L14-S33 PolarHBondContact O-N 3.23Å; L14-V94 WeakPolarHBondContact CA-O 3.18Å; L14-V94 HydrophobicContact CG-CB 4.21Å
15S91.5Very high79.7Confident46 Ų4649.4 Ų49.432%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-108.9119.5172.2-66.60000109.6V94 I95 V96S15-V94 PolarHBondContact N-O 2.99Å; S15-I95 WeakPolarHBondContact O-CA 3.13Å; S15-V96 PolarHBondContact O-N 2.83Å
16Y90.9Very high82.6Confident70 Ų7051.1 Ų51.128%0.27530%0.301SS..EExtended strand (participates in β ladder)trans-92126.3176.5-63.1-92.5000109.7L14 G29 S30 R31 V96L14-Y16 HydrophobicContact CB-CE2 4.14Å; Y16-G29 CarbonylContact O-C 3.43Å; Y16-G29 WeakPolarHBondContact O-CA 3.2Å; Y16-S30 PolarHBondContact O-N 2.74Å; Y16-S30 PolarHBondContact O-OG 3.33Å; Y16-R31 HydrophobicContact CD2-CB 3.83Å; Y16-R31 HydrophobicContact CD2-CG 3.96Å; Y16-R31 HydrophobicContact CE2-CG 4.39Å; Y16-R31 HydrophobicContact CG-CB 4.27Å; Y16-R31 PolarHBondContact N-O 3.11Å; Y16-V96 CarbonylContact C-O 3.58Å; Y16-V96 WeakPolarHBondContact CA-O 3.5Å; Y16-V96 HydrophobicContact CD1-CB 3.96Å; Y16-V96 HydrophobicContact CD1-CG1 4.18Å; Y16-V96 HydrophobicContact CE1-CB 4.11Å; Y16-V96 HydrophobicContact CE1-CG1 4.18Å; Y16-V96 HydrophobicContact CE1-CG2 4.49Å
17T93.5Very high85Confident9 Ų952 Ų526%0.05531%0.307CS..EExtended strand (participates in β ladder)trans-135.5158.6-173.465.60000111.2R19 I27 I95 V96 T97 E98T17-R19 VanDerWaalsContact C-N 3.28Å; T17-R19 WeakPolarHBondContact CB-O 3.4Å; T17-R19 PolarHBondContact O-N 2.9Å; T17-R19 PolarHBondContact OG1-O 3.33Å; T17-I27 HydrophobicContact CG2-CD1 3.84Å; T17-I27 HydrophobicContact CG2-CG1 4.34Å; T17-I95 HydrophobicContact CG2-CG2 3.98Å; T17-I95 WeakPolarHBondContact OG1-CG2 3.27Å; T17-V96 PolarHBondContact N-O 3.43Å; T17-T97 CarbonylContact O-C 3.41Å; T17-T97 WeakPolarHBondContact O-CA 3.43Å; T17-E98 PolarHBondContact O-N 3.34Å
18P93.8Very high87Confident65 Ų6558.2 Ų58.242%0.42234%0.344SS..SBendtrans-65.8-32.7176.423.5-33.3000112.4
19R94.3Very high89Confident112 Ų11259.8 Ų59.842%0.42336%0.362SS..SBendtrans-154.2172.4175.359.1170.6175.675.90.3110.8T17 E25 I27T17-R19 VanDerWaalsContact C-N 3.28Å; T17-R19 WeakPolarHBondContact CB-O 3.4Å; T17-R19 PolarHBondContact O-N 2.9Å; T17-R19 PolarHBondContact OG1-O 3.33Å; R19-E25 IonicContact CZ-OE1 3.42Å; R19-E25 IonicContact CZ-OE2 3.25Å; R19-E25 IonicContact NH1-OE1 3.9Å; R19-E25 IonicContact NH1-OE2 2.93Å; R19-E25 PolarHBondContact NH1-OE2 2.93Å; R19-E25 VanDerWaalsContact NH2-CD 3.33Å; R19-E25 IonicContact NH2-OE1 3.29Å; R19-E25 PolarHBondContact NH2-OE1 2.8Å; R19-E25 IonicContact NH2-OE2 2.72Å; R19-E25 PolarHBondContact NH2-OE2 3.44Å; R19-I27 WeakPolarHBondContact O-CD1 3.3Å
20L94.1Very high90.9Very high59 Ų5963.4 Ų63.431%0.30939%0.388SS..PPolyproline II helixtrans-67.8141.7169.6-64.6176.6000110.1I95 T97L20-I95 HydrophobicContact CD2-CB 4.05Å; L20-I95 HydrophobicContact CD2-CG2 3.75Å; L20-T97 HydrophobicContact CD2-CG2 3.97Å; L20-T97 HydrophobicContact CG-CG2 3.79Å
21P93.8Very high92.2Very high51 Ų5171.1 Ų71.133%0.33142%0.417SS..PPolyproline II helixtrans-68.3147.3172.629.7-33.8000110.3I27 I95P21-I27 HydrophobicContact CB-CD1 4.07Å; P21-I27 HydrophobicContact CB-CG1 4.3Å; P21-I27 HydrophobicContact CG-CD1 4.4Å; P21-I95 HydrophobicContact CG-CD1 4.12Å
22I94.9Very high92.7Very high108 Ų10876.5 Ų76.555%0.55444%0.44SS*.PPolyproline II helixtrans-88.3161.4167.464.9174.1000110.4G24 E25I22-G24 PolarHBondContact O-N 2.97Å; I22-E25 HydrophobicContact CG1-CB 3.74Å; I22-E25 HydrophobicContact CG1-CG 4.45Å; I22-E25 PolarHBondContact N-OE2 2.9Å; I22-E25 VanDerWaalsContact N-OE2 3.12Å; I22-E25 VanDerWaalsContact O-CB 3.29Å; I22-E25 WeakPolarHBondContact O-CB 3.24Å; I22-E25 PolarHBondContact O-N 3.1Å
23P96Very high93Very high134 Ų13477.4 Ų77.487%0.8745%0.447SS*.THydrogen-bonded Turntrans-52.9126.7177.7-27.936.2000112.6
24G94.9Very high93Very high92 Ų9280.7 Ų80.795%0.94846%0.464SS*.THydrogen-bonded Turntrans86.7-4.2-179.700000115.4I22I22-G24 PolarHBondContact O-N 2.97Å
25E96Very high92.9Very high65 Ų6580.1 Ų80.130%0.30447%0.466SS..  trans-91145.3-178.2-173179-139.400113.1R19 I22 I27R19-E25 IonicContact CZ-OE1 3.42Å; R19-E25 IonicContact CZ-OE2 3.25Å; R19-E25 IonicContact NH1-OE1 3.9Å; R19-E25 IonicContact NH1-OE2 2.93Å; R19-E25 PolarHBondContact NH1-OE2 2.93Å; R19-E25 VanDerWaalsContact NH2-CD 3.33Å; R19-E25 IonicContact NH2-OE1 3.29Å; R19-E25 PolarHBondContact NH2-OE1 2.8Å; R19-E25 IonicContact NH2-OE2 2.72Å; R19-E25 PolarHBondContact NH2-OE2 3.44Å; I22-E25 HydrophobicContact CG1-CB 3.74Å; I22-E25 HydrophobicContact CG1-CG 4.45Å; I22-E25 PolarHBondContact N-OE2 2.9Å; I22-E25 VanDerWaalsContact N-OE2 3.12Å; I22-E25 VanDerWaalsContact O-CB 3.29Å; I22-E25 WeakPolarHBondContact O-CB 3.24Å; I22-E25 PolarHBondContact O-N 3.1Å; E25-I27 HydrophobicContact CG-CG2 3.81Å
26T96Very high92.9Very high139 Ų13980.7 Ų80.785%0.85346%0.463SS*.  trans-110.4125.7163.8-61.90000109.3
27I95Very high92.7Very high41 Ų4177.5 Ų77.521%0.2145%0.452CS..  trans-117149.6176.164.4177.6000110.5T17 R19 P21 E25T17-I27 HydrophobicContact CG2-CD1 3.84Å; T17-I27 HydrophobicContact CG2-CG1 4.34Å; R19-I27 WeakPolarHBondContact O-CD1 3.3Å; P21-I27 HydrophobicContact CB-CD1 4.07Å; P21-I27 HydrophobicContact CB-CG1 4.3Å; P21-I27 HydrophobicContact CG-CD1 4.4Å; E25-I27 HydrophobicContact CG-CG2 3.81Å
28V95.2Very high92.6Very high130 Ų13077.4 Ų77.479%0.78845%0.452SS*.  trans-89.2122.2173.6-179.30000108.8
29G94.3Very high92.5Very high39 Ų3976.6 Ų76.640%0.40244%0.442SS..  trans-80161.9173.600000112.6Y16Y16-G29 CarbonylContact O-C 3.43Å; Y16-G29 WeakPolarHBondContact O-CA 3.2Å
30S93.6Very high92.5Very high87 Ų8772 Ų7261%0.60843%0.43SS*.SBendtrans-92.8-26.3178.657.30000113.2Y16Y16-S30 PolarHBondContact O-N 2.74Å; Y16-S30 PolarHBondContact O-OG 3.33Å
31R92Very high92.5Very high163 Ų16369.3 Ų69.362%0.61542%0.416SS*.EExtended strand (participates in β ladder)trans-156149.2-178-179.7176.7175179.3-2.6111.1Y16Y16-R31 HydrophobicContact CD2-CB 3.83Å; Y16-R31 HydrophobicContact CD2-CG 3.96Å; Y16-R31 HydrophobicContact CE2-CG 4.39Å; Y16-R31 HydrophobicContact CG-CB 4.27Å; Y16-R31 PolarHBondContact N-O 3.11Å
32F90.7Very high92.6Very high120 Ų12067.3 Ų67.353%0.52640%0.403SS..EExtended strand (participates in β ladder)trans-121.8143167.8179.4-104.1000110N13 L14 L34N13-F32 HydrophobicContact CB-CE2 4.07Å; N13-F32 HydrophobicContact CB-CZ 4.25Å; L14-F32 CarbonylContact O-C 3.55Å; L14-F32 WeakPolarHBondContact O-CA 3.14Å; L14-F32 WeakPolarHBondContact O-CD2 3.26Å; F32-L34 HydrophobicContact CE1-CD2 3.75Å; F32-L34 HydrophobicContact CE1-CG 3.76Å; F32-L34 HydrophobicContact CZ-CD2 3.56Å; F32-L34 HydrophobicContact CZ-CG 4.1Å
33S87.2Confident92.7Very high38 Ų3862.2 Ų62.227%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-141.5140.7173.4-164.50000110.7L14L14-S33 PolarHBondContact N-O 3Å; L14-S33 PolarHBondContact O-N 3.23Å
34L87.4Confident92.7Very high92 Ų9256.4 Ų56.448%0.48234%0.34SS..EExtended strand (participates in β ladder)trans-94.4141164-65.1174.4000108.7N13 F32N13-L34 WeakPolarHBondContact OD1-CD2 3.32Å; F32-L34 HydrophobicContact CE1-CD2 3.75Å; F32-L34 HydrophobicContact CE1-CG 3.76Å; F32-L34 HydrophobicContact CZ-CD2 3.56Å; F32-L34 HydrophobicContact CZ-CG 4.1Å
35G86.9Confident92.8Very high22 Ų2252 Ų5223%0.22730%0.295CS..EExtended strand (participates in β ladder)trans-143.8162.5175.100000111L11 S12L11-G35 WeakPolarHBondContact CD2-O 3.28Å; S12-G35 PolarHBondContact N-O 3.09Å; S12-G35 PolarHBondContact O-N 3.36Å
36F90.2Very high92.9Very high59 Ų5949.1 Ų49.126%0.25928%0.281SS..EExtended strand (participates in β ladder)trans-95.3138.1172.1-60.7-82.3000109.2L11 S68 A69 N72 M290L11-F36 HydrophobicContact CD2-CD1 3.72Å; L11-F36 HydrophobicContact CD2-CE1 3.62Å; L11-F36 HydrophobicContact CD2-CG 4.43Å; L11-F36 HydrophobicContact CD2-CZ 4.27Å; L11-F36 HydrophobicContact CG-CD1 4.1Å; L11-F36 HydrophobicContact CG-CE1 4.18Å; F36-S68 WeakPolarHBondContact CE1-O 3.37Å; F36-A69 HydrophobicContact CD1-CB 4.34Å; F36-A69 HydrophobicContact CE1-CB 4.42Å; F36-N72 HydrophobicContact CD1-CB 3.86Å; F36-N72 HydrophobicContact CD2-CB 3.85Å; F36-N72 VanDerWaalsContact CD2-CG 3.44Å; F36-N72 WeakPolarHBondContact CD2-ND2 3.31Å; F36-N72 HydrophobicContact CE1-CB 3.79Å; F36-N72 HydrophobicContact CE2-CB 3.76Å; F36-N72 WeakPolarHBondContact CE2-ND2 3.07Å; F36-N72 HydrophobicContact CG-CB 3.87Å; F36-N72 HydrophobicContact CZ-CB 3.72Å; F36-M290 HydrophobicContact CB-CE 4.09Å; F36-M290 HydrophobicContact CB-SD 3.88Å
37G88Confident93Very high3 Ų342.8 Ų42.83%0.03124%0.243CC..  trans-139.4-147.8-177.700000111.1N9 L10 A41 M290N9-G37 CarbonylContact O-C 3.55Å; L10-G37 CarbonylContact O-C 3.6Å; L10-G37 VanDerWaalsContact O-C 3.29Å; L10-G37 WeakPolarHBondContact O-CA 3.43Å; L10-G37 PolarHBondContact O-N 3.42Å; G37-A41 WeakPolarHBondContact O-CB 3.38Å; G37-M290 WeakPolarHBondContact O-CE 3.38Å
38G90Very high93.1Very high7 Ų741.8 Ų41.87%0.07224%0.239CC..  trans80.5125.5-173.900000111.9N9 G40 A41 N42 E137N9-G38 WeakPolarHBondContact O-CA 3.18Å; G38-G40 VanDerWaalsContact C-N 3.31Å; G38-G40 PolarHBondContact O-N 3.01Å; G38-A41 PolarHBondContact O-N 3.38Å; G38-A41 VanDerWaalsContact O-N 3.1Å; G38-N42 WeakPolarHBondContact O-CB 3.26Å; G38-N42 PolarHBondContact O-N 3.45Å; G38-N42 PolarHBondContact O-ND2 3.45Å; G38-E137 WeakPolarHBondContact CA-OE2 3.44Å
39K93.1Very high93.3Very high47 Ų4737.4 Ų37.420%0.20421%0.208CC..Hα-helixtrans-57.6-46.3-172-66.5177.8169.9-71.20111.2A41 N42 Q43 Q135 E137 A161K39-A41 VanDerWaalsContact C-N 3.34Å; K39-A41 PolarHBondContact O-N 2.96Å; K39-N42 PolarHBondContact O-N 2.93Å; K39-Q43 VanDerWaalsContact O-CB 3.29Å; K39-Q43 WeakPolarHBondContact O-CB 3.34Å; K39-Q43 WeakPolarHBondContact O-CG 3.44Å; K39-Q43 PolarHBondContact O-N 2.99Å; K39-Q135 HydrophobicContact CB-CB 4.22Å; K39-Q135 HydrophobicContact CB-CG 3.81Å; K39-Q135 HydrophobicContact CD-CB 4.3Å; K39-E137 HydrophobicContact CD-CG 4.29Å; K39-E137 PolarHBondContact N-OE2 2.98Å; K39-A161 HydrophobicContact CD-CB 3.89Å; K39-A161 VanDerWaalsContact CE-CB 3.5Å
40G94.3Very high93.5Very high17 Ų1735.6 Ų35.618%0.17519%0.189CC..Hα-helixtrans-60.7-41.7178.800000113G38 A44G38-G40 VanDerWaalsContact C-N 3.31Å; G38-G40 PolarHBondContact O-N 3.01Å; G40-A44 VanDerWaalsContact O-CB 3.31Å; G40-A44 WeakPolarHBondContact O-CB 3.45Å; G40-A44 PolarHBondContact O-N 3.46Å; G40-A44 VanDerWaalsContact O-N 3.09Å
41A93.9Very high93.6Very high2 Ų233.5 Ų33.52%0.01718%0.181CC..Hα-helixtrans-71.1-44.5178.200000111.5I8 G37 G38 K39 Q43 A44 V45 L73 M290I8-A41 HydrophobicContact CG2-CB 4.14Å; G37-A41 WeakPolarHBondContact O-CB 3.38Å; G38-A41 PolarHBondContact O-N 3.38Å; G38-A41 VanDerWaalsContact O-N 3.1Å; K39-A41 VanDerWaalsContact C-N 3.34Å; K39-A41 PolarHBondContact O-N 2.96Å; A41-Q43 PolarHBondContact O-N 3.5Å; A41-A44 PolarHBondContact O-N 3.26Å; A41-V45 WeakPolarHBondContact O-CG2 3.39Å; A41-V45 PolarHBondContact O-N 3.04Å; A41-L73 HydrophobicContact CB-CD2 4.19Å; A41-M290 HydrophobicContact CB-CE 3.54Å
42N94.9Very high93.9Very high8 Ų826.4 Ų26.44%0.04316%0.157CC..Hα-helixtrans-57-49.8177.1-69.5-18.2000111.2G38 K39 A44 V45 M46 D251 T289 M290 Y293G38-N42 WeakPolarHBondContact O-CB 3.26Å; G38-N42 PolarHBondContact O-N 3.45Å; G38-N42 PolarHBondContact O-ND2 3.45Å; K39-N42 PolarHBondContact O-N 2.93Å; N42-A44 VanDerWaalsContact C-N 3.34Å; N42-A44 PolarHBondContact O-N 3.28Å; N42-V45 PolarHBondContact O-N 3.24Å; N42-M46 PolarHBondContact O-N 3.21Å; N42-D251 HydrophobicContact CB-CB 3.52Å; N42-D251 PolarHBondContact ND2-OD2 2.95Å; N42-T289 HydrophobicContact CB-CG2 4.45Å; N42-T289 VanDerWaalsContact CG-CG2 3.45Å; N42-T289 WeakPolarHBondContact ND2-CG2 3.17Å; N42-T289 WeakPolarHBondContact OD1-CG2 3.41Å; N42-M290 WeakPolarHBondContact OD1-CE 3.43Å; N42-M290 VanDerWaalsContact OD1-CG 3.24Å; N42-M290 WeakPolarHBondContact OD1-CG 3.41Å; N42-Y293 HydrophobicContact CB-CE2 4.12Å; N42-Y293 WeakPolarHBondContact O-CE2 3.37Å
43Q97.3Very high94.2Very high2 Ų231.6 Ų31.61%0.00917%0.174CC..Hα-helixtrans-63.6-40.2-179.3-68.1166.820.300111.3K39 A41 A47 L133 Q135 N159 D251 L254 G255K39-Q43 VanDerWaalsContact O-CB 3.29Å; K39-Q43 WeakPolarHBondContact O-CB 3.34Å; K39-Q43 WeakPolarHBondContact O-CG 3.44Å; K39-Q43 PolarHBondContact O-N 2.99Å; A41-Q43 PolarHBondContact O-N 3.5Å; Q43-A47 PolarHBondContact O-N 3.47Å; Q43-L133 HydrophobicContact CB-CD2 3.74Å; Q43-L133 HydrophobicContact CG-CD2 4.19Å; Q43-L133 VanDerWaalsContact OE1-CG 3.24Å; Q43-Q135 VanDerWaalsContact OE1-CD 3.32Å; Q43-N159 PolarHBondContact NE2-OD1 3.02Å; Q43-D251 HydrophobicContact CG-CB 3.75Å; Q43-D251 WeakPolarHBondContact CG-O 3.43Å; Q43-D251 PolarHBondContact NE2-OD1 3.47Å; Q43-L254 HydrophobicContact CG-CB 3.94Å; Q43-G255 VanDerWaalsContact O-CA 3.28Å; Q43-G255 WeakPolarHBondContact O-CA 2.86Å
44A96.3Very high94.6Very high12 Ų1230.8 Ų30.810%0.09917%0.167CC..Hα-helixtrans-66.5-43.1175.900000112.7G40 A41 N42 A47 T48 V56 V78G40-A44 VanDerWaalsContact O-CB 3.31Å; G40-A44 WeakPolarHBondContact O-CB 3.45Å; G40-A44 PolarHBondContact O-N 3.46Å; G40-A44 VanDerWaalsContact O-N 3.09Å; A41-A44 PolarHBondContact O-N 3.26Å; N42-A44 VanDerWaalsContact C-N 3.34Å; N42-A44 PolarHBondContact O-N 3.28Å; A44-A47 PolarHBondContact O-N 3.41Å; A44-T48 WeakPolarHBondContact O-CB 3.43Å; A44-T48 PolarHBondContact O-N 2.94Å; A44-T48 PolarHBondContact O-OG1 3.45Å; A44-V56 HydrophobicContact CB-CG2 3.43Å; A44-V56 VanDerWaalsContact CB-CG2 3.43Å; A44-V78 HydrophobicContact CB-CG1 4.22Å; A44-V78 HydrophobicContact CB-CG2 4.48Å
45V96.7Very high94.9Very high0 Ų028.5 Ų28.50%016%0.162CC..Hα-helixtrans-60.7-47.3176169.80000110.2A41 N42 A47 T48 R49 L73 N76 V78 M290 Y293A41-V45 WeakPolarHBondContact O-CG2 3.39Å; A41-V45 PolarHBondContact O-N 3.04Å; N42-V45 PolarHBondContact O-N 3.24Å; V45-A47 PolarHBondContact O-N 2.97Å; V45-T48 PolarHBondContact O-N 3.21Å; V45-T48 VanDerWaalsContact O-N 3.16Å; V45-R49 HydrophobicContact CG1-CG 4.2Å; V45-R49 WeakPolarHBondContact O-CG 3.2Å; V45-R49 PolarHBondContact O-N 3.49Å; V45-L73 HydrophobicContact CG2-CD2 3.51Å; V45-N76 HydrophobicContact CG1-CB 4.16Å; V45-N76 WeakPolarHBondContact CG1-OD1 3.45Å; V45-N76 HydrophobicContact CG2-CB 3.91Å; V45-V78 HydrophobicContact CG2-CG2 4.06Å; V45-M290 HydrophobicContact CB-SD 4.4Å; V45-M290 HydrophobicContact CG1-CB 4.43Å; V45-M290 HydrophobicContact CG2-CE 4.37Å; V45-M290 HydrophobicContact CG2-SD 3.81Å; V45-Y293 HydrophobicContact CG1-CD2 4.23Å
46M97.9Very high95.2Very high3 Ų328.2 Ų28.22%0.01516%0.155CC..Hα-helixtrans-56.9-51.7177.4-177.165.6-176.200111.6N42 T48 R49 L50 A252 S256 L279 Y293N42-M46 PolarHBondContact O-N 3.21Å; M46-T48 PolarHBondContact O-N 2.96Å; M46-R49 PolarHBondContact O-N 2.91Å; M46-L50 HydrophobicContact CE-CD1 4.14Å; M46-L50 HydrophobicContact CE-CD2 4.15Å; M46-L50 HydrophobicContact CE-CG 4.22Å; M46-L50 WeakPolarHBondContact O-CG 3.23Å; M46-L50 PolarHBondContact O-N 3.22Å; M46-L50 VanDerWaalsContact O-N 3.16Å; M46-A252 HydrophobicContact CG-CB 4.35Å; M46-A252 WeakPolarHBondContact CG-O 3.26Å; M46-A252 HydrophobicContact SD-CB 4.24Å; M46-S256 WeakPolarHBondContact CE-OG 3.21Å; M46-L279 HydrophobicContact CE-CB 3.8Å; M46-L279 HydrophobicContact CE-CD1 4.24Å; M46-L279 HydrophobicContact CE-CG 4.44Å; M46-Y293 HydrophobicContact CB-CD2 3.86Å; M46-Y293 HydrophobicContact CB-CE2 4.18Å; M46-Y293 HydrophobicContact CB-CG 4.37Å; M46-Y293 HydrophobicContact SD-CD1 4.23Å; M46-Y293 HydrophobicContact SD-CD2 4.23Å; M46-Y293 HydrophobicContact SD-CG 3.78Å
47A98.4Very high95.3Very high6 Ų627.3 Ų27.35%0.0515%0.153CC..Hα-helixtrans-58.5-38.4178.800000112.2Q43 A44 V45 L50 G51 A52 T54 G255 F259Q43-A47 PolarHBondContact O-N 3.47Å; A44-A47 PolarHBondContact O-N 3.41Å; V45-A47 PolarHBondContact O-N 2.97Å; A47-L50 PolarHBondContact O-N 3.16Å; A47-G51 PolarHBondContact O-N 2.99Å; A47-A52 HydrophobicContact CB-CB 4.13Å; A47-A52 VanDerWaalsContact O-CB 3.23Å; A47-A52 WeakPolarHBondContact O-CB 3.41Å; A47-A52 PolarHBondContact O-N 3.21Å; A47-T54 HydrophobicContact CB-CG2 3.89Å; A47-G255 WeakPolarHBondContact CB-O 3.37Å; A47-F259 HydrophobicContact CB-CB 4.39Å
48T97.8Very high95.4Very high21 Ų2127.2 Ų27.213%0.12915%0.152CC..Hα-helixtrans-68.9-42.5179.3-51.50000112.1A44 V45 M46 L50 G51 T54 N76 V78A44-T48 WeakPolarHBondContact O-CB 3.43Å; A44-T48 PolarHBondContact O-N 2.94Å; A44-T48 PolarHBondContact O-OG1 3.45Å; V45-T48 PolarHBondContact O-N 3.21Å; V45-T48 VanDerWaalsContact O-N 3.16Å; M46-T48 PolarHBondContact O-N 2.96Å; T48-L50 PolarHBondContact O-N 2.95Å; T48-G51 WeakPolarHBondContact O-CA 3.37Å; T48-G51 PolarHBondContact O-N 3.45Å; T48-T54 WeakPolarHBondContact OG1-CB 3.14Å; T48-T54 WeakPolarHBondContact OG1-CG2 3.38Å; T48-T54 PolarHBondContact OG1-OG1 2.95Å; T48-N76 WeakPolarHBondContact CG2-O 3.12Å; T48-V78 HydrophobicContact CG2-CG2 4.27Å; T48-V78 WeakPolarHBondContact OG1-CG2 2.96Å
49R97.7Very high95.5Very high38 Ų3828 Ų2814%0.14315%0.153CC..Hα-helixtrans-61.8-30.8176.7-73.5-166.7-177.9-166.6-0.5112.1V45 M46 G51 N76 M290 Y293 L294 R296V45-R49 HydrophobicContact CG1-CG 4.2Å; V45-R49 WeakPolarHBondContact O-CG 3.2Å; V45-R49 PolarHBondContact O-N 3.49Å; M46-R49 PolarHBondContact O-N 2.91Å; R49-G51 VanDerWaalsContact C-N 3.29Å; R49-G51 PolarHBondContact O-N 3.35Å; R49-N76 PolarHBondContact NE-OD1 2.97Å; R49-N76 VanDerWaalsContact NE-OD1 3.14Å; R49-N76 PolarHBondContact NH2-OD1 2.72Å; R49-M290 PolarHBondContact NH1-O 2.91Å; R49-M290 PolarHBondContact NH2-O 3.03Å; R49-Y293 WeakPolarHBondContact CD-O 3.43Å; R49-Y293 PolarHBondContact NH1-O 3.47Å; R49-L294 WeakPolarHBondContact CB-O 3.29Å; R49-R296 PolarHBondContact O-N 3.35Å
50L98.2Very high95.5Very high0 Ų025.8 Ų25.80%014%0.144CC..THydrogen-bonded Turntrans-76.1-12.2171.2-60.6177.9000114.2M46 A47 T48 F259 L279 R296 L299 F304M46-L50 HydrophobicContact CE-CD1 4.14Å; M46-L50 HydrophobicContact CE-CD2 4.15Å; M46-L50 HydrophobicContact CE-CG 4.22Å; M46-L50 WeakPolarHBondContact O-CG 3.23Å; M46-L50 PolarHBondContact O-N 3.22Å; M46-L50 VanDerWaalsContact O-N 3.16Å; A47-L50 PolarHBondContact O-N 3.16Å; T48-L50 PolarHBondContact O-N 2.95Å; L50-F259 HydrophobicContact CB-CB 4.32Å; L50-F259 HydrophobicContact CB-CD1 3.79Å; L50-F259 HydrophobicContact CB-CD2 3.73Å; L50-F259 HydrophobicContact CB-CE1 3.92Å; L50-F259 HydrophobicContact CB-CE2 3.89Å; L50-F259 HydrophobicContact CB-CG 3.67Å; L50-F259 HydrophobicContact CB-CZ 3.95Å; L50-F259 HydrophobicContact CD1-CB 3.89Å; L50-F259 HydrophobicContact CD1-CD1 3.67Å; L50-F259 HydrophobicContact CD1-CE1 4.37Å; L50-F259 HydrophobicContact CD1-CG 3.86Å; L50-F259 HydrophobicContact CG-CD1 4.37Å; L50-F259 HydrophobicContact CG-CG 4.46Å; L50-F259 WeakPolarHBondContact O-CE2 3.38Å; L50-F259 WeakPolarHBondContact O-CZ 3.46Å; L50-L279 HydrophobicContact CD1-CD1 3.73Å; L50-L279 HydrophobicContact CD2-CD1 3.81Å; L50-L279 HydrophobicContact CD2-CD2 4.3Å; L50-L279 HydrophobicContact CG-CD1 4.43Å; L50-R296 WeakPolarHBondContact O-CD 3.47Å; L50-L299 HydrophobicContact CD2-CD1 3.4Å; L50-F304 HydrophobicContact CD2-CE1 4.36Å; L50-F304 HydrophobicContact CD2-CZ 4.25Å
51G97.3Very high95.4Very high43 Ų4325 Ų2544%0.44314%0.135SC..THydrogen-bonded Turntrans107.614.5176.400000115.4A47 T48 R49A47-G51 PolarHBondContact O-N 2.99Å; T48-G51 WeakPolarHBondContact O-CA 3.37Å; T48-G51 PolarHBondContact O-N 3.45Å; R49-G51 VanDerWaalsContact C-N 3.29Å; R49-G51 PolarHBondContact O-N 3.35Å
52A97.4Very high95.3Very high14 Ų1427.3 Ų27.312%0.11616%0.159CC..  trans-70147.3167.200000111A47 T54 F259A47-A52 HydrophobicContact CB-CB 4.13Å; A47-A52 VanDerWaalsContact O-CB 3.23Å; A47-A52 WeakPolarHBondContact O-CB 3.41Å; A47-A52 PolarHBondContact O-N 3.21Å; A52-T54 HydrophobicContact CB-CG2 3.78Å; A52-F259 HydrophobicContact CB-CD2 4.02Å
53R96.8Very high95.1Very high230 Ų23028 Ų2887%0.86816%0.163SC*.  trans-84.4113.4159.2-65-172.3-56.4171.91.7107
54T95.7Very high94.8Very high21 Ų2136.4 Ų36.413%0.12920%0.196CC..  trans-114153.1-17662.70000110.6A47 T48 A52 S79A47-T54 HydrophobicContact CB-CG2 3.89Å; T48-T54 WeakPolarHBondContact OG1-CB 3.14Å; T48-T54 WeakPolarHBondContact OG1-CG2 3.38Å; T48-T54 PolarHBondContact OG1-OG1 2.95Å; A52-T54 HydrophobicContact CB-CG2 3.78Å; T54-S79 VanDerWaalsContact O-CB 3.26Å; T54-S79 WeakPolarHBondContact O-CB 3.31Å; T54-S79 PolarHBondContact O-N 2.87Å
55A93.6Very high94.5Very high44 Ų4438.7 Ų38.736%0.36420%0.203SC..BIsolated β-bridgetrans-133.8145.216200000108.8S79 L125A55-S79 WeakPolarHBondContact CA-O 3.36Å; A55-L125 HydrophobicContact CB-CD1 4.38Å; A55-L125 HydrophobicContact CB-CD2 4Å
56V93Very high94.3Very high16 Ų1638.7 Ų38.710%0.09720%0.203CC..BIsolated β-bridgetrans-103.4153.2171.9-167.80000108.3F6 D7 A44 L73 V78 S79F6-V56 CarbonylContact C-O 3.5Å; F6-V56 CarbonylContact O-C 3.58Å; D7-V56 VanDerWaalsContact O-CB 3.31Å; D7-V56 WeakPolarHBondContact O-CB 3.04Å; D7-V56 WeakPolarHBondContact O-CG1 3.39Å; A44-V56 HydrophobicContact CB-CG2 3.43Å; A44-V56 VanDerWaalsContact CB-CG2 3.43Å; V56-L73 HydrophobicContact CB-CD1 4.29Å; V56-L73 HydrophobicContact CG2-CD1 3.83Å; V56-V78 HydrophobicContact CG2-CG1 3.58Å; V56-S79 PolarHBondContact N-O 3.23Å; V56-S79 VanDerWaalsContact N-O 3.16Å
57I92.3Very high93.9Very high39 Ų3943.6 Ų43.620%0.223%0.226CC..  trans-125.7119.3169.8-55.3176.7000106.9F6 D7 L114 I119 A122 L125 F126F6-I57 HydrophobicContact CB-CB 4.12Å; F6-I57 HydrophobicContact CB-CG1 4.2Å; F6-I57 HydrophobicContact CB-CG2 3.84Å; F6-I57 HydrophobicContact CG-CG2 4.45Å; D7-I57 CarbonylContact O-C 3.47Å; I57-L114 HydrophobicContact CG2-CD1 4.19Å; I57-L114 HydrophobicContact CG2-CD2 4.42Å; I57-I119 HydrophobicContact CG2-CD1 4.03Å; I57-A122 HydrophobicContact CD1-CB 3.94Å; I57-L125 HydrophobicContact CD1-CD2 4.09Å; I57-L125 HydrophobicContact CG1-CD2 4.15Å; I57-F126 HydrophobicContact CD1-CE2 3.72Å; I57-F126 HydrophobicContact CD1-CZ 3.79Å
58G91.5Very high93.5Very high1 Ų144.3 Ų44.31%0.0123%0.231CC..  trans-162.6-167.3-17700000111D7D7-G58 VanDerWaalsContact CB-C 3.46Å; D7-G58 WeakPolarHBondContact CB-O 3.43Å; D7-G58 VanDerWaalsContact N-N 3.17Å; D7-G58 PolarHBondContact N-O 3.48Å; D7-G58 WeakPolarHBondContact O-CA 3.25Å; D7-G58 PolarHBondContact O-N 2.96Å
59K92Very high93.2Very high25 Ų2543.4 Ų43.411%0.10923%0.226CC..  trans-143.5139.1170.7-74.5-160-179.6164.60110.7N9 L83 V85 A110 H113 L114 D118N9-K59 PolarHBondContact OD1-O 3.17Å; K59-L83 HydrophobicContact CD-CB 4.39Å; K59-L83 HydrophobicContact CG-CB 3.94Å; K59-L83 HydrophobicContact CG-CD1 4.35Å; K59-V85 HydrophobicContact CD-CG1 3.61Å; K59-A110 CarbonylContact O-C 3.55Å; K59-A110 VanDerWaalsContact O-CB 3.26Å; K59-A110 WeakPolarHBondContact O-CB 3.34Å; K59-H113 HydrophobicContact CD-CB 4.25Å; K59-H113 WeakPolarHBondContact CD-O 3.47Å; K59-H113 WeakPolarHBondContact CE-O 3.3Å; K59-H113 PolarHBondContact NZ-O 3.42Å; K59-L114 HydrophobicContact CG-CB 4.32Å; K59-L114 HydrophobicContact CG-CD1 4.06Å; K59-D118 WeakPolarHBondContact CE-OD2 3.41Å; K59-D118 IonicContact NZ-OD1 3.32Å; K59-D118 IonicContact NZ-OD2 3.89Å; K59-D118 PolarHBondContact NZ-OD2 3.01Å
60I92.2Very high92.9Very high0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-108.5162.4174.456.8161.6000111.8D7 I8 G66 V70 T82 L83 V84 V85 T89D7-I60 HydrophobicContact CB-CG2 4.26Å; I8-I60 HydrophobicContact CB-CG2 4.41Å; I8-I60 WeakPolarHBondContact O-CG2 3.32Å; I60-G66 VanDerWaalsContact CD1-C 3.48Å; I60-V70 HydrophobicContact CD1-CG2 3.71Å; I60-V70 HydrophobicContact CG2-CG2 4.44Å; I60-T82 HydrophobicContact CD1-CG2 4.09Å; I60-L83 PolarHBondContact N-O 3.34Å; I60-V84 HydrophobicContact CD1-CG2 4.37Å; I60-V84 HydrophobicContact CG1-CG2 4.39Å; I60-V84 WeakPolarHBondContact O-CA 3.25Å; I60-V85 VanDerWaalsContact O-CG2 3.28Å; I60-V85 WeakPolarHBondContact O-CG2 3.45Å; I60-V85 PolarHBondContact O-N 3.48Å; I60-T89 HydrophobicContact CG2-CG2 4.45Å
61G92.3Very high92.5Very high0 Ų047.3 Ų47.30%025%0.246CC..EExtended strand (participates in β ladder)trans-74.8159.416500000112D63 V87 T89G61-D63 PolarHBondContact O-N 3.14Å; G61-V87 WeakPolarHBondContact CA-O 3.46Å; G61-T89 WeakPolarHBondContact CA-OG1 3.44Å; G61-T89 PolarHBondContact N-OG1 3.02Å
62G91.1Very high92.3Very high50 Ų5046.3 Ų46.352%0.51523%0.23SC..SBendtrans-73.822.7173.300000114.1V85G62-V85 PolarHBondContact N-O 2.86Å
63D92Very high92.1Very high23 Ų2345.7 Ų45.712%0.12323%0.225CC..SBendtrans-103.6170.3-172.157.327.7000112G61 F65 G66 H67 M88 T89G61-D63 PolarHBondContact O-N 3.14Å; D63-F65 PolarHBondContact O-N 2.68Å; D63-F65 WeakPolarHBondContact OD1-CB 3.4Å; D63-F65 PolarHBondContact OD1-N 2.96Å; D63-G66 PolarHBondContact O-N 3Å; D63-G66 PolarHBondContact OD1-N 3.38Å; D63-H67 PolarHBondContact O-N 3.11Å; D63-H67 PolarHBondContact O-ND1 3.37Å; D63-M88 HydrophobicContact CB-CE 4.01Å; D63-M88 HydrophobicContact CB-SD 4.09Å; D63-M88 WeakPolarHBondContact OD2-CA 3.13Å; D63-M88 VanDerWaalsContact OD2-CE 3.23Å; D63-M88 WeakPolarHBondContact OD2-CE 3.4Å; D63-M88 VanDerWaalsContact OD2-SD 3.4Å; D63-T89 WeakPolarHBondContact OD1-CB 3.33Å; D63-T89 PolarHBondContact OD1-OG1 3.44Å; D63-T89 PolarHBondContact OD2-N 3.29Å
64Y90.7Very high91.9Very high178 Ų17840.3 Ų40.370%0.69821%0.208SC*.Hα-helixtrans-55.6-35.2178.3176.7-96.7000112.6H67 S68Y64-H67 PolarHBondContact O-N 3.03Å; Y64-S68 VanDerWaalsContact CE1-OG 3.28Å; Y64-S68 WeakPolarHBondContact CE1-OG 3.28Å; Y64-S68 WeakPolarHBondContact O-CB 3.3Å; Y64-S68 PolarHBondContact O-N 3.02Å; Y64-S68 PolarHBondContact O-OG 3.31Å
65F90.5Very high91.8Very high60 Ų6045.8 Ų45.826%0.26323%0.232SC..Hα-helixtrans-64.2-45.7-179.4-69.3-30.3000112.3L11 D63 S68 A69 M88 T89 V91L11-F65 HydrophobicContact CD1-CB 3.25Å; L11-F65 HydrophobicContact CD1-CD1 3.51Å; L11-F65 HydrophobicContact CD1-CG 3.62Å; L11-F65 VanDerWaalsContact CD1-O 3.25Å; L11-F65 WeakPolarHBondContact CD1-O 3.42Å; D63-F65 PolarHBondContact O-N 2.68Å; D63-F65 WeakPolarHBondContact OD1-CB 3.4Å; D63-F65 PolarHBondContact OD1-N 2.96Å; F65-S68 PolarHBondContact O-N 3.32Å; F65-A69 PolarHBondContact O-N 3.04Å; F65-M88 HydrophobicContact CD2-CE 4.22Å; F65-M88 HydrophobicContact CE2-CE 4.46Å; F65-T89 HydrophobicContact CB-CG2 4.47Å; F65-V91 HydrophobicContact CD2-CG1 4.23Å
66G91.4Very high91.8Very high0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-60.3-48.9176.100000112.1I60 D63 S68 A69 V70 T89I60-G66 VanDerWaalsContact CD1-C 3.48Å; D63-G66 PolarHBondContact O-N 3Å; D63-G66 PolarHBondContact OD1-N 3.38Å; G66-S68 VanDerWaalsContact C-N 3.32Å; G66-S68 PolarHBondContact O-N 3.26Å; G66-A69 PolarHBondContact O-N 3.3Å; G66-V70 WeakPolarHBondContact O-CG2 3.36Å; G66-V70 PolarHBondContact O-N 3.47Å; G66-T89 WeakPolarHBondContact CA-OG1 3.49Å; G66-T89 PolarHBondContact N-OG1 2.64Å
67H90Very high91.9Very high106 Ų10646.3 Ų46.349%0.49124%0.24SC..Hα-helixtrans-61.8-40.3178.4-65.193.1000112.2D63 Y64 V70 H71D63-H67 PolarHBondContact O-N 3.11Å; D63-H67 PolarHBondContact O-ND1 3.37Å; Y64-H67 PolarHBondContact O-N 3.03Å; H67-V70 PolarHBondContact O-N 3.21Å; H67-H71 PolarHBondContact O-N 3.2Å
68S90.8Very high92Very high21 Ų2144.6 Ų44.615%0.14723%0.232CC..Hα-helixtrans-65.5-41177.4-60.50000111.9F36 Y64 F65 G66 V70 H71 N72F36-S68 WeakPolarHBondContact CE1-O 3.37Å; Y64-S68 VanDerWaalsContact CE1-OG 3.28Å; Y64-S68 WeakPolarHBondContact CE1-OG 3.28Å; Y64-S68 WeakPolarHBondContact O-CB 3.3Å; Y64-S68 PolarHBondContact O-N 3.02Å; Y64-S68 PolarHBondContact O-OG 3.31Å; F65-S68 PolarHBondContact O-N 3.32Å; G66-S68 VanDerWaalsContact C-N 3.32Å; G66-S68 PolarHBondContact O-N 3.26Å; S68-V70 VanDerWaalsContact C-N 3.32Å; S68-V70 PolarHBondContact O-N 3.26Å; S68-H71 WeakPolarHBondContact O-CB 3.27Å; S68-H71 PolarHBondContact O-N 2.91Å; S68-N72 PolarHBondContact O-N 3.34Å
69A90.7Very high92Very high3 Ų346.8 Ų46.83%0.02525%0.247CC..Hα-helixtrans-63-39.9175.900000111.4I8 F36 F65 G66 N72 L73I8-A69 HydrophobicContact CB-CB 4.36Å; I8-A69 VanDerWaalsContact CD1-O 3.27Å; I8-A69 WeakPolarHBondContact CD1-O 3.38Å; I8-A69 HydrophobicContact CG2-CB 3.78Å; F36-A69 HydrophobicContact CD1-CB 4.34Å; F36-A69 HydrophobicContact CE1-CB 4.42Å; F65-A69 PolarHBondContact O-N 3.04Å; G66-A69 PolarHBondContact O-N 3.3Å; A69-N72 PolarHBondContact O-N 3.11Å; A69-L73 PolarHBondContact O-N 2.95Å; A69-L73 VanDerWaalsContact O-N 3.11Å
70V91.1Very high91.5Very high9 Ų945.9 Ų45.96%0.05524%0.244CC..Hα-helixtrans-61.8-41.4172.5175.50000113.2I8 I60 G66 H67 S68 K74I8-V70 HydrophobicContact CD1-CB 3.91Å; I8-V70 HydrophobicContact CD1-CG2 3.55Å; I8-V70 HydrophobicContact CG1-CG2 4.28Å; I60-V70 HydrophobicContact CD1-CG2 3.71Å; I60-V70 HydrophobicContact CG2-CG2 4.44Å; G66-V70 WeakPolarHBondContact O-CG2 3.36Å; G66-V70 PolarHBondContact O-N 3.47Å; H67-V70 PolarHBondContact O-N 3.21Å; S68-V70 VanDerWaalsContact C-N 3.32Å; S68-V70 PolarHBondContact O-N 3.26Å; V70-K74 HydrophobicContact CG1-CD 4.24Å; V70-K74 VanDerWaalsContact O-CG 3.32Å; V70-K74 WeakPolarHBondContact O-CG 3.26Å; V70-K74 PolarHBondContact O-N 3.24Å
71H91.2Very high90.5Very high111 Ų11146.4 Ų46.451%0.51425%0.249SC..Hα-helixtrans-63-49.6174.3-169.369.4000111.5H67 S68 L73 K74 E75H67-H71 PolarHBondContact O-N 3.2Å; S68-H71 WeakPolarHBondContact O-CB 3.27Å; S68-H71 PolarHBondContact O-N 2.91Å; H71-L73 PolarHBondContact O-N 3.48Å; H71-K74 WeakPolarHBondContact O-CB 3.41Å; H71-K74 PolarHBondContact O-N 3.29Å; H71-K74 VanDerWaalsContact O-N 3.09Å; H71-E75 IonicContact CD2-OE1 3.55Å; H71-E75 IonicContact CD2-OE2 3.14Å; H71-E75 VanDerWaalsContact NE2-CD 3.35Å; H71-E75 IonicContact NE2-OE1 2.67Å; H71-E75 PolarHBondContact NE2-OE1 3Å; H71-E75 IonicContact NE2-OE2 2.99Å; H71-E75 PolarHBondContact O-N 3.38Å
72N92.3Very high89.2Confident22 Ų2250.2 Ų50.212%0.11827%0.273CS..Hα-helixtrans-57.9-44.4-177.8-179.4-78.3000113.4F36 S68 A69 K74 E75 N76F36-N72 HydrophobicContact CD1-CB 3.86Å; F36-N72 HydrophobicContact CD2-CB 3.85Å; F36-N72 VanDerWaalsContact CD2-CG 3.44Å; F36-N72 WeakPolarHBondContact CD2-ND2 3.31Å; F36-N72 HydrophobicContact CE1-CB 3.79Å; F36-N72 HydrophobicContact CE2-CB 3.76Å; F36-N72 WeakPolarHBondContact CE2-ND2 3.07Å; F36-N72 HydrophobicContact CG-CB 3.87Å; F36-N72 HydrophobicContact CZ-CB 3.72Å; S68-N72 PolarHBondContact O-N 3.34Å; A69-N72 PolarHBondContact O-N 3.11Å; N72-K74 VanDerWaalsContact C-N 3.32Å; N72-K74 PolarHBondContact O-N 2.93Å; N72-E75 PolarHBondContact O-N 3.16Å; N72-N76 PolarHBondContact O-N 2.81Å; N72-N76 PolarHBondContact O-ND2 2.72Å; N72-N76 PolarHBondContact OD1-ND2 2.89Å; N72-N76 VanDerWaalsContact OD1-ND2 3.15Å
73L92.5Very high88.4Confident1 Ų150 Ų501%0.00526%0.259CS..Hα-helixtrans-64.7-38.7177.7-80-157.5000112.4I8 A41 V45 V56 A69 H71 E75 N76 G77 V78 C80I8-L73 HydrophobicContact CB-CD1 3.91Å; I8-L73 HydrophobicContact CB-CG 4.4Å; I8-L73 HydrophobicContact CD1-CB 3.64Å; I8-L73 HydrophobicContact CD1-CD1 3.36Å; I8-L73 HydrophobicContact CD1-CG 3.53Å; I8-L73 HydrophobicContact CG1-CB 4.46Å; I8-L73 HydrophobicContact CG1-CD1 3.26Å; I8-L73 HydrophobicContact CG1-CG 3.95Å; I8-L73 HydrophobicContact CG2-CD1 3.64Å; I8-L73 HydrophobicContact CG2-CG 3.71Å; A41-L73 HydrophobicContact CB-CD2 4.19Å; V45-L73 HydrophobicContact CG2-CD2 3.51Å; V56-L73 HydrophobicContact CB-CD1 4.29Å; V56-L73 HydrophobicContact CG2-CD1 3.83Å; A69-L73 PolarHBondContact O-N 2.95Å; A69-L73 VanDerWaalsContact O-N 3.11Å; H71-L73 PolarHBondContact O-N 3.48Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-N76 CarbonylContact O-C 3.54Å; L73-N76 PolarHBondContact O-N 3.38Å; L73-N76 VanDerWaalsContact O-N 3.16Å; L73-G77 PolarHBondContact O-N 2.7Å; L73-V78 HydrophobicContact CB-CB 4.03Å; L73-V78 HydrophobicContact CB-CG1 4.42Å; L73-V78 HydrophobicContact CD1-CB 4.29Å; L73-V78 HydrophobicContact CD1-CG1 3.82Å; L73-V78 HydrophobicContact CD2-CB 4.25Å; L73-V78 HydrophobicContact CD2-CG1 4.44Å; L73-V78 HydrophobicContact CD2-CG2 4.17Å; L73-V78 HydrophobicContact CG-CB 4.44Å; L73-V78 HydrophobicContact CG-CG1 4.49Å; L73-V78 WeakPolarHBondContact O-CB 3.44Å; L73-V78 PolarHBondContact O-N 3.44Å; L73-C80 HydrophobicContact CD1-CB 4.43Å
74K92.8Very high88Confident117 Ų11752.4 Ų52.451%0.50928%0.275SS..Hα-helixtrans-63.5-41.2176.3-72.1174.3-178.7174.90111.2V70 H71 N72 N76 G77V70-K74 HydrophobicContact CG1-CD 4.24Å; V70-K74 VanDerWaalsContact O-CG 3.32Å; V70-K74 WeakPolarHBondContact O-CG 3.26Å; V70-K74 PolarHBondContact O-N 3.24Å; H71-K74 WeakPolarHBondContact O-CB 3.41Å; H71-K74 PolarHBondContact O-N 3.29Å; H71-K74 VanDerWaalsContact O-N 3.09Å; N72-K74 VanDerWaalsContact C-N 3.32Å; N72-K74 PolarHBondContact O-N 2.93Å; K74-N76 VanDerWaalsContact C-N 3.26Å; K74-N76 PolarHBondContact O-N 3.08Å; K74-G77 PolarHBondContact O-N 3.23Å
75E93.8Very high87.8Confident135 Ų13545 Ų4563%0.63125%0.247SC*.Hα-helixtrans-62.2-34.4174.1-69.3-171.7121.500112.2H71 N72 L73 G77H71-E75 IonicContact CD2-OE1 3.55Å; H71-E75 IonicContact CD2-OE2 3.14Å; H71-E75 VanDerWaalsContact NE2-CD 3.35Å; H71-E75 IonicContact NE2-OE1 2.67Å; H71-E75 PolarHBondContact NE2-OE1 3Å; H71-E75 IonicContact NE2-OE2 2.99Å; H71-E75 PolarHBondContact O-N 3.38Å; N72-E75 PolarHBondContact O-N 3.16Å; L73-E75 VanDerWaalsContact C-N 3.33Å; E75-G77 PolarHBondContact O-N 2.85Å
76N94.2Very high87.8Confident21 Ų2151.9 Ų51.911%0.11228%0.28CS..THydrogen-bonded Turntrans-79.13173.1-77.4-84.1000114V45 T48 R49 N72 L73 K74 V78V45-N76 HydrophobicContact CG1-CB 4.16Å; V45-N76 WeakPolarHBondContact CG1-OD1 3.45Å; V45-N76 HydrophobicContact CG2-CB 3.91Å; T48-N76 WeakPolarHBondContact CG2-O 3.12Å; R49-N76 PolarHBondContact NE-OD1 2.97Å; R49-N76 VanDerWaalsContact NE-OD1 3.14Å; R49-N76 PolarHBondContact NH2-OD1 2.72Å; N72-N76 PolarHBondContact O-N 2.81Å; N72-N76 PolarHBondContact O-ND2 2.72Å; N72-N76 PolarHBondContact OD1-ND2 2.89Å; N72-N76 VanDerWaalsContact OD1-ND2 3.15Å; L73-N76 CarbonylContact O-C 3.54Å; L73-N76 PolarHBondContact O-N 3.38Å; L73-N76 VanDerWaalsContact O-N 3.16Å; K74-N76 VanDerWaalsContact C-N 3.26Å; K74-N76 PolarHBondContact O-N 3.08Å; N76-V78 VanDerWaalsContact C-N 3.29Å; N76-V78 HydrophobicContact CB-CG2 4.38Å; N76-V78 PolarHBondContact O-N 2.74Å
77G94.9Very high87.9Confident51 Ų5154.3 Ų54.353%0.52630%0.295SS..THydrogen-bonded Turntrans76.910179.300000114.9L73 K74 E75L73-G77 PolarHBondContact O-N 2.7Å; K74-G77 PolarHBondContact O-N 3.23Å; E75-G77 PolarHBondContact O-N 2.85Å
78V94.2Very high88Confident3 Ų354.8 Ų54.82%0.01830%0.299CS..  trans-80.1128.8178.9178.20000109.4A44 V45 T48 V56 L73 N76 C80A44-V78 HydrophobicContact CB-CG1 4.22Å; A44-V78 HydrophobicContact CB-CG2 4.48Å; V45-V78 HydrophobicContact CG2-CG2 4.06Å; T48-V78 HydrophobicContact CG2-CG2 4.27Å; T48-V78 WeakPolarHBondContact OG1-CG2 2.96Å; V56-V78 HydrophobicContact CG2-CG1 3.58Å; L73-V78 HydrophobicContact CB-CB 4.03Å; L73-V78 HydrophobicContact CB-CG1 4.42Å; L73-V78 HydrophobicContact CD1-CB 4.29Å; L73-V78 HydrophobicContact CD1-CG1 3.82Å; L73-V78 HydrophobicContact CD2-CB 4.25Å; L73-V78 HydrophobicContact CD2-CG1 4.44Å; L73-V78 HydrophobicContact CD2-CG2 4.17Å; L73-V78 HydrophobicContact CG-CB 4.44Å; L73-V78 HydrophobicContact CG-CG1 4.49Å; L73-V78 WeakPolarHBondContact O-CB 3.44Å; L73-V78 PolarHBondContact O-N 3.44Å; N76-V78 VanDerWaalsContact C-N 3.29Å; N76-V78 HydrophobicContact CB-CG2 4.38Å; N76-V78 PolarHBondContact O-N 2.74Å; V78-C80 PolarHBondContact O-N 3.35Å
79S91.4Very high88.2Confident47 Ų4753.9 Ų53.933%0.32929%0.293SS..BIsolated β-bridgetrans-73.9122175.3-70.50000110.8T54 A55 V56T54-S79 VanDerWaalsContact O-CB 3.26Å; T54-S79 WeakPolarHBondContact O-CB 3.31Å; T54-S79 PolarHBondContact O-N 2.87Å; A55-S79 WeakPolarHBondContact CA-O 3.36Å; V56-S79 PolarHBondContact N-O 3.23Å; V56-S79 VanDerWaalsContact N-O 3.16Å
80C82.3Confident88.3Confident6 Ų653.8 Ų53.84%0.04129%0.291CS..  trans-139.7156.3174.259.80000109.9K5 F6 I8 L73 V78K5-C80 VanDerWaalsContact CB-O 3.3Å; K5-C80 WeakPolarHBondContact CB-O 3.34Å; F6-C80 WeakPolarHBondContact O-CA 3.32Å; F6-C80 WeakPolarHBondContact O-CB 3.35Å; I8-C80 HydrophobicContact CD1-CB 3.93Å; I8-C80 HydrophobicContact CG1-CB 4.02Å; L73-C80 HydrophobicContact CD1-CB 4.43Å; V78-C80 PolarHBondContact O-N 3.35Å
81G69.6Low88.3Confident11 Ų1154.5 Ų54.511%0.11330%0.296CS..  trans-121-156.6168.200000109.9K5 F6 D7K5-G81 WeakPolarHBondContact O-CA 3.46Å; K5-G81 PolarHBondContact O-N 2.86Å; F6-G81 VanDerWaalsContact N-N 3.15Å; F6-G81 PolarHBondContact O-N 3.29Å; D7-G81 VanDerWaalsContact CG-O 3.32Å
82T65.9Low88.2Confident80 Ų8049.8 Ų49.849%0.49128%0.276SS..  trans-137.390.7-164.3-23.40000111.5D7 I60 V84D7-T82 WeakPolarHBondContact OD1-CA 3.27Å; I60-T82 HydrophobicContact CD1-CG2 4.09Å; T82-V84 HydrophobicContact CG2-CG2 4.01Å
83L74.7Confident88.1Confident45 Ų4551.8 Ų51.824%0.23629%0.286CS..  trans-101.9104.1164.8-67.1176.5000108.4F6 D7 K59 I60 D118F6-L83 HydrophobicContact CD1-CD1 3.35Å; F6-L83 HydrophobicContact CD1-CD2 4.28Å; F6-L83 HydrophobicContact CD1-CG 3.59Å; F6-L83 HydrophobicContact CE1-CD1 3.69Å; F6-L83 HydrophobicContact CE1-CD2 4.05Å; F6-L83 HydrophobicContact CE1-CG 3.88Å; F6-L83 HydrophobicContact CG-CD1 4.27Å; D7-L83 PolarHBondContact OD1-N 3.02Å; D7-L83 WeakPolarHBondContact OD2-CA 3.47Å; D7-L83 VanDerWaalsContact OD2-CB 3.25Å; D7-L83 WeakPolarHBondContact OD2-CB 3.49Å; D7-L83 PolarHBondContact OD2-N 3.5Å; K59-L83 HydrophobicContact CD-CB 4.39Å; K59-L83 HydrophobicContact CG-CB 3.94Å; K59-L83 HydrophobicContact CG-CD1 4.35Å; I60-L83 PolarHBondContact N-O 3.34Å; L83-D118 HydrophobicContact CD1-CB 4.47Å
84V82.3Confident87.8Confident74 Ų7452.6 Ų52.645%0.44829%0.291SS..EExtended strand (participates in β ladder)trans-94.8135.8179.7-1800000109.9I60 T82I60-V84 HydrophobicContact CD1-CG2 4.37Å; I60-V84 HydrophobicContact CG1-CG2 4.39Å; I60-V84 WeakPolarHBondContact O-CA 3.25Å; T82-V84 HydrophobicContact CG2-CG2 4.01Å
85V86.7Confident87.7Confident21 Ų2149.2 Ų49.213%0.12728%0.278CS..EExtended strand (participates in β ladder)trans-119.2155.9171.4-72.50000111.5K59 I60 G62 V87 A110 H113K59-V85 HydrophobicContact CD-CG1 3.61Å; I60-V85 VanDerWaalsContact O-CG2 3.28Å; I60-V85 WeakPolarHBondContact O-CG2 3.45Å; I60-V85 PolarHBondContact O-N 3.48Å; G62-V85 PolarHBondContact N-O 2.86Å; V85-V87 HydrophobicContact CB-CG2 4.26Å; V85-V87 HydrophobicContact CG2-CG2 3.53Å; V85-V87 PolarHBondContact O-N 3.41Å; V85-A110 HydrophobicContact CG2-CB 3.53Å; V85-H113 HydrophobicContact CB-CB 4.4Å; V85-H113 HydrophobicContact CG1-CB 3.97Å; V85-H113 HydrophobicContact CG2-CB 4.17Å
86H91.5Very high87.3Confident205 Ų20544.2 Ų44.295%0.94926%0.257SS*.SBendtrans-79.644.1178.3-64-76.2000112.8
87V92.5Very high87.1Confident52 Ų5243.4 Ų43.432%0.31525%0.253SS..SBendtrans-136.4167.8169.4-64.30000108.8G61 V85 A110G61-V87 WeakPolarHBondContact CA-O 3.46Å; V85-V87 HydrophobicContact CB-CG2 4.26Å; V85-V87 HydrophobicContact CG2-CG2 3.53Å; V85-V87 PolarHBondContact O-N 3.41Å; V87-A110 HydrophobicContact CG2-CB 4.05Å
88M93.5Very high86.7Confident115 Ų11548 Ų4857%0.56726%0.261SS*.PPolyproline II helixtrans-69.1146.8176.2-62.9-64.5-68.200111.5D63 F65 G109 A110D63-M88 HydrophobicContact CB-CE 4.01Å; D63-M88 HydrophobicContact CB-SD 4.09Å; D63-M88 WeakPolarHBondContact OD2-CA 3.13Å; D63-M88 VanDerWaalsContact OD2-CE 3.23Å; D63-M88 WeakPolarHBondContact OD2-CE 3.4Å; D63-M88 VanDerWaalsContact OD2-SD 3.4Å; F65-M88 HydrophobicContact CD2-CE 4.22Å; F65-M88 HydrophobicContact CE2-CE 4.46Å; M88-G109 CarbonylContact O-C 3.57Å; M88-G109 WeakPolarHBondContact O-CA 3.46Å; M88-A110 PolarHBondContact O-N 3.16Å
89T94.1Very high86.2Confident3 Ų353.1 Ų53.12%0.01829%0.292CS..PPolyproline II helixtrans-57.6145.3168-60.50000109.7I60 G61 D63 F65 G66I60-T89 HydrophobicContact CG2-CG2 4.45Å; G61-T89 WeakPolarHBondContact CA-OG1 3.44Å; G61-T89 PolarHBondContact N-OG1 3.02Å; D63-T89 WeakPolarHBondContact OD1-CB 3.33Å; D63-T89 PolarHBondContact OD1-OG1 3.44Å; D63-T89 PolarHBondContact OD2-N 3.29Å; F65-T89 HydrophobicContact CB-CG2 4.47Å; G66-T89 WeakPolarHBondContact CA-OG1 3.49Å; G66-T89 PolarHBondContact N-OG1 2.64Å
90G92.4Very high85.5Confident0 Ų053.3 Ų53.30%030%0.302CS..PPolyproline II helixtrans-55.8141.617600000111.7L10 L11 V107 L108L10-G90 VanDerWaalsContact CA-O 3.3Å; L10-G90 WeakPolarHBondContact CA-O 3.3Å; L11-G90 PolarHBondContact N-O 2.93Å; G90-V107 CarbonylContact C-O 3.51Å; G90-V107 WeakPolarHBondContact CA-O 3.34Å; G90-L108 WeakPolarHBondContact CA-O 3.39Å
91V91.9Very high85.5Confident24 Ų2458.7 Ų58.715%0.14533%0.326CS..EExtended strand (participates in β ladder)trans-136.4147.1176.6-64.70000111.6L11 F65 T106 V107L11-V91 CarbonylContact O-C 3.6Å; L11-V91 VanDerWaalsContact O-CA 3.29Å; L11-V91 WeakPolarHBondContact O-CA 3.47Å; F65-V91 HydrophobicContact CD2-CG1 4.23Å; V91-T106 WeakPolarHBondContact O-CA 3Å; V91-V107 HydrophobicContact CG2-CB 4.23Å; V91-V107 PolarHBondContact N-O 2.65Å; V91-V107 PolarHBondContact O-N 2.6Å
92S89.8Confident86Confident13 Ų1362.5 Ų62.59%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-115.6119.5168.6-67.10000109.4L11 S12 N13 I105 T106L11-S92 PolarHBondContact O-N 3.26Å; S12-S92 CarbonylContact C-O 3.6Å; S12-S92 WeakPolarHBondContact CA-O 3.38Å; N13-S92 PolarHBondContact N-O 3.02Å; S92-I105 WeakPolarHBondContact CA-O 3.5Å; S92-T106 PolarHBondContact OG-OG1 3.06Å
93N89.8Confident86.9Confident64 Ų6461.2 Ų61.234%0.34234%0.338SS..EExtended strand (participates in β ladder)trans-94.7112.2172.8-59.2-74.9000108.3N13 I104 I105N13-N93 PolarHBondContact ND2-OD1 2.89Å; N93-I104 CarbonylContact O-C 3.58Å; N93-I104 WeakPolarHBondContact O-CA 3.35Å; N93-I105 HydrophobicContact CB-CB 4.44Å; N93-I105 PolarHBondContact N-O 3.45Å; N93-I105 PolarHBondContact O-N 3.38Å
94V86.3Confident87.4Confident18 Ų1863.4 Ų63.411%0.10935%0.349CS..EExtended strand (participates in β ladder)trans-111.5122.8-174.8-174.10000108.1N13 L14 S15 V96 S103 I104N13-V94 PolarHBondContact O-N 3.14Å; L14-V94 WeakPolarHBondContact CA-O 3.18Å; L14-V94 HydrophobicContact CG-CB 4.21Å; S15-V94 PolarHBondContact N-O 2.99Å; V94-V96 HydrophobicContact CG1-CG2 3.68Å; V94-S103 WeakPolarHBondContact CA-O 3.48Å; V94-I104 HydrophobicContact CG1-CG1 4.11Å; V94-I104 HydrophobicContact CG2-CG1 4.19Å; V94-I104 HydrophobicContact CG2-CG2 4.24Å
95I89.9Confident87.6Confident46 Ų4665.2 Ų65.224%0.23636%0.355CS..EExtended strand (participates in β ladder)trans-99.6129.6165.3-56.3174.7000106.9S15 T17 L20 P21 N102 S103S15-I95 WeakPolarHBondContact O-CA 3.13Å; T17-I95 HydrophobicContact CG2-CG2 3.98Å; T17-I95 WeakPolarHBondContact OG1-CG2 3.27Å; L20-I95 HydrophobicContact CD2-CB 4.05Å; L20-I95 HydrophobicContact CD2-CG2 3.75Å; P21-I95 HydrophobicContact CG-CD1 4.12Å; I95-N102 CarbonylContact O-C 3.54Å; I95-N102 WeakPolarHBondContact O-CA 3.3Å; I95-N102 WeakPolarHBondContact O-CB 3.45Å; I95-S103 PolarHBondContact N-O 3.32Å; I95-S103 PolarHBondContact O-N 3.22Å
96V86.6Confident87.7Confident29 Ų2967.2 Ų67.218%0.17637%0.367CS..EExtended strand (participates in β ladder)trans-121.5125.6176.7-175.60000108.7S15 Y16 T17 V94 Q101 N102S15-V96 PolarHBondContact O-N 2.83Å; Y16-V96 CarbonylContact C-O 3.58Å; Y16-V96 WeakPolarHBondContact CA-O 3.5Å; Y16-V96 HydrophobicContact CD1-CB 3.96Å; Y16-V96 HydrophobicContact CD1-CG1 4.18Å; Y16-V96 HydrophobicContact CE1-CB 4.11Å; Y16-V96 HydrophobicContact CE1-CG1 4.18Å; Y16-V96 HydrophobicContact CE1-CG2 4.49Å; T17-V96 PolarHBondContact N-O 3.43Å; V94-V96 HydrophobicContact CG1-CG2 3.68Å; V96-Q101 WeakPolarHBondContact CA-O 3.42Å; V96-N102 HydrophobicContact CG2-CB 4.46Å
97T89Confident87.7Confident5 Ų561.2 Ų61.23%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-84.1162.1178.170.10000111.7T17 L20 T99 G100 Q101T17-T97 CarbonylContact O-C 3.41Å; T17-T97 WeakPolarHBondContact O-CA 3.43Å; L20-T97 HydrophobicContact CD2-CG2 3.97Å; L20-T97 HydrophobicContact CG-CG2 3.79Å; T97-T99 PolarHBondContact O-N 3.3Å; T97-T99 PolarHBondContact OG1-N 2.9Å; T97-T99 PolarHBondContact OG1-OG1 3.41Å; T97-G100 PolarHBondContact O-N 3Å; T97-G100 PolarHBondContact OG1-N 3.16Å; T97-Q101 HydrophobicContact CG2-CB 4.06Å; T97-Q101 PolarHBondContact N-O 2.96Å; T97-Q101 WeakPolarHBondContact OG1-CB 3.42Å; T97-Q101 PolarHBondContact OG1-N 3.45Å; T97-Q101 PolarHBondContact OG1-O 3.09Å
98E86Confident87.7Confident148 Ų14860.7 Ų60.769%0.69234%0.34SS*.THydrogen-bonded Turntrans-58.2-27.1169.9-72.2175.6-170.400112.9T17 G100T17-E98 PolarHBondContact O-N 3.34Å; E98-G100 VanDerWaalsContact C-N 3.27Å; E98-G100 PolarHBondContact O-N 3.01Å
99T84.8Confident87.7Confident109 Ų10956.2 Ų56.267%0.66932%0.324SS*.THydrogen-bonded Turntrans-81-1.1174.556.50000113.9T97 Q101T97-T99 PolarHBondContact O-N 3.3Å; T97-T99 PolarHBondContact OG1-N 2.9Å; T97-T99 PolarHBondContact OG1-OG1 3.41Å; T99-Q101 VanDerWaalsContact C-N 3.31Å; T99-Q101 PolarHBondContact O-N 3.17Å
100G76.5Confident87.8Confident52 Ų5256.1 Ų56.154%0.53632%0.323SS..SBendtrans80.63.9-178.300000114.9T97 E98T97-G100 PolarHBondContact O-N 3Å; T97-G100 PolarHBondContact OG1-N 3.16Å; E98-G100 VanDerWaalsContact C-N 3.27Å; E98-G100 PolarHBondContact O-N 3.01Å
101Q81.5Confident87.8Confident118 Ų11856.1 Ų56.155%0.55132%0.323SS*.  trans-67.1147.9169.6-61177.7-46.900109.3V96 T97 T99V96-Q101 WeakPolarHBondContact CA-O 3.42Å; T97-Q101 HydrophobicContact CG2-CB 4.06Å; T97-Q101 PolarHBondContact N-O 2.96Å; T97-Q101 WeakPolarHBondContact OG1-CB 3.42Å; T97-Q101 PolarHBondContact OG1-N 3.45Å; T97-Q101 PolarHBondContact OG1-O 3.09Å; T99-Q101 VanDerWaalsContact C-N 3.31Å; T99-Q101 PolarHBondContact O-N 3.17Å
102N81.4Confident87.9Confident91 Ų9158 Ų5849%0.48733%0.332SS..EExtended strand (participates in β ladder)trans-134.7158176.964.743.7000112.9I95 V96I95-N102 CarbonylContact O-C 3.54Å; I95-N102 WeakPolarHBondContact O-CA 3.3Å; I95-N102 WeakPolarHBondContact O-CB 3.45Å; V96-N102 HydrophobicContact CG2-CB 4.46Å
103S84.3Confident88.2Confident53 Ų5361.5 Ų61.537%0.37135%0.347SS..EExtended strand (participates in β ladder)trans-136.3131.8169.3-177.20000108.3V94 I95V94-S103 WeakPolarHBondContact CA-O 3.48Å; I95-S103 PolarHBondContact N-O 3.32Å; I95-S103 PolarHBondContact O-N 3.22Å
104I83.8Confident88.4Confident92 Ų9258.8 Ų58.847%0.47233%0.332SS..EExtended strand (participates in β ladder)trans-125.4123.4-172-53.8-179.8000109.5N93 V94N93-I104 CarbonylContact O-C 3.58Å; N93-I104 WeakPolarHBondContact O-CA 3.35Å; V94-I104 HydrophobicContact CG1-CG1 4.11Å; V94-I104 HydrophobicContact CG2-CG1 4.19Å; V94-I104 HydrophobicContact CG2-CG2 4.24Å
105I87.6Confident88.8Confident111 Ų11159.6 Ų59.657%0.56934%0.338SS*.EExtended strand (participates in β ladder)trans-109.6106.6168.6-57.4173.1000107.7S92 N93S92-I105 WeakPolarHBondContact CA-O 3.5Å; N93-I105 HydrophobicContact CB-CB 4.44Å; N93-I105 PolarHBondContact N-O 3.45Å; N93-I105 PolarHBondContact O-N 3.38Å
106T88.5Confident89.1Confident63 Ų6359.1 Ų59.139%0.38734%0.338SS..EExtended strand (participates in β ladder)trans-98.5125.3176-64.30000110.7L10 V91 S92 L108L10-T106 HydrophobicContact CD2-CG2 3.75Å; V91-T106 WeakPolarHBondContact O-CA 3Å; S92-T106 PolarHBondContact OG-OG1 3.06Å; T106-L108 HydrophobicContact CG2-CD2 3.87Å; T106-L108 HydrophobicContact CG2-CG 4.37Å
107V91.9Very high89.5Confident80 Ų8063.4 Ų63.449%0.48536%0.356SS..EExtended strand (participates in β ladder)trans-109.7109.5169.4-177.70000107.2G90 V91 G109G90-V107 CarbonylContact C-O 3.51Å; G90-V107 WeakPolarHBondContact CA-O 3.34Å; V91-V107 HydrophobicContact CG2-CB 4.23Å; V91-V107 PolarHBondContact N-O 2.65Å; V91-V107 PolarHBondContact O-N 2.6Å; V107-G109 VanDerWaalsContact C-N 3.29Å; V107-G109 PolarHBondContact O-N 2.95Å
108L92.3Very high89.7Confident41 Ų4163.7 Ų63.722%0.21536%0.357CS..  trans-69.9-22.6-173.9-68.3175.8000113.6L10 G90 T106 A110 N111 L112 E137L10-L108 HydrophobicContact CD1-CD2 4.27Å; G90-L108 WeakPolarHBondContact CA-O 3.39Å; T106-L108 HydrophobicContact CG2-CD2 3.87Å; T106-L108 HydrophobicContact CG2-CG 4.37Å; L108-A110 PolarHBondContact O-N 3.41Å; L108-N111 HydrophobicContact CB-CB 4.25Å; L108-N111 VanDerWaalsContact O-CB 3.26Å; L108-N111 WeakPolarHBondContact O-CB 3.35Å; L108-N111 PolarHBondContact O-N 3.05Å; L108-N111 PolarHBondContact O-OD1 2.91Å; L108-L112 HydrophobicContact CB-CD1 4Å; L108-L112 HydrophobicContact CB-CD2 4.22Å; L108-L112 HydrophobicContact CB-CG 3.73Å; L108-L112 HydrophobicContact CD1-CD1 4.43Å; L108-L112 HydrophobicContact CD1-CD2 3.74Å; L108-L112 HydrophobicContact CD1-CG 4.17Å; L108-E137 HydrophobicContact CD2-CB 4Å; L108-E137 HydrophobicContact CD2-CG 4.29Å
109G94.1Very high90.1Very high21 Ų2156.9 Ų56.922%0.21633%0.325CS..G310 helixtrans46.9-126.517300000113.6M88 V107 N111 L112M88-G109 CarbonylContact O-C 3.57Å; M88-G109 WeakPolarHBondContact O-CA 3.46Å; V107-G109 VanDerWaalsContact C-N 3.29Å; V107-G109 PolarHBondContact O-N 2.95Å; G109-N111 PolarHBondContact O-N 3.44Å; G109-N111 VanDerWaalsContact O-N 3.07Å; G109-L112 PolarHBondContact O-N 3.44Å; G109-L112 VanDerWaalsContact O-N 3.15Å
110A94.6Very high90.5Very high0 Ų055.7 Ų55.70%031%0.312CS..G310 helixtrans-52-26.9178.700000115.1K59 V85 V87 M88 L108 L112 H113K59-A110 CarbonylContact O-C 3.55Å; K59-A110 VanDerWaalsContact O-CB 3.26Å; K59-A110 WeakPolarHBondContact O-CB 3.34Å; V85-A110 HydrophobicContact CG2-CB 3.53Å; V87-A110 HydrophobicContact CG2-CB 4.05Å; M88-A110 PolarHBondContact O-N 3.16Å; L108-A110 PolarHBondContact O-N 3.41Å; A110-L112 PolarHBondContact O-N 3.16Å; A110-H113 WeakPolarHBondContact O-CB 3.44Å; A110-H113 PolarHBondContact O-N 3.16Å
111N92.9Very high91.2Very high0 Ų059.1 Ų59.10%031%0.312CS..G310 helixtrans-55.7-38.4178.2-5019.4000112.3N9 L10 L108 G109 H113 L114 E137 H138N9-N111 VanDerWaalsContact CB-CG 3.47Å; N9-N111 WeakPolarHBondContact CB-ND2 3.35Å; N9-N111 WeakPolarHBondContact CB-OD1 3.49Å; N9-N111 WeakPolarHBondContact ND2-CA 3.4Å; N9-N111 WeakPolarHBondContact ND2-CB 3.49Å; N9-N111 PolarHBondContact ND2-OD1 3.34Å; N9-N111 VanDerWaalsContact ND2-OD1 3.13Å; N9-N111 PolarHBondContact OD1-OD1 2.71Å; L10-N111 WeakPolarHBondContact CD1-ND2 3.48Å; L108-N111 HydrophobicContact CB-CB 4.25Å; L108-N111 VanDerWaalsContact O-CB 3.26Å; L108-N111 WeakPolarHBondContact O-CB 3.35Å; L108-N111 PolarHBondContact O-N 3.05Å; L108-N111 PolarHBondContact O-OD1 2.91Å; G109-N111 PolarHBondContact O-N 3.44Å; G109-N111 VanDerWaalsContact O-N 3.07Å; N111-H113 PolarHBondContact O-N 3.02Å; N111-L114 PolarHBondContact O-N 2.71Å; N111-E137 WeakPolarHBondContact CB-O 3.4Å; N111-E137 PolarHBondContact ND2-O 3.35Å; N111-H138 PolarHBondContact O-ND1 3.42Å
112L94.3Very high91.6Very high64 Ų6453.5 Ų53.534%0.33529%0.286SS..G310 helixtrans-74.7-7.4-178-63.5179.8000113.1L108 G109 A110 K139L108-L112 HydrophobicContact CB-CD1 4Å; L108-L112 HydrophobicContact CB-CD2 4.22Å; L108-L112 HydrophobicContact CB-CG 3.73Å; L108-L112 HydrophobicContact CD1-CD1 4.43Å; L108-L112 HydrophobicContact CD1-CD2 3.74Å; L108-L112 HydrophobicContact CD1-CG 4.17Å; G109-L112 PolarHBondContact O-N 3.44Å; G109-L112 VanDerWaalsContact O-N 3.15Å; A110-L112 PolarHBondContact O-N 3.16Å; L112-K139 HydrophobicContact CD2-CG 4.16Å; L112-K139 WeakPolarHBondContact O-CD 3.41Å; L112-K139 WeakPolarHBondContact O-CE 3.5Å; L112-K139 PolarHBondContact O-NZ 3.29Å
113H95.3Very high92Very high87 Ų8754.2 Ų54.240%0.40328%0.282SS..G310 helixtrans-95.1-6.7177.6-70-101.6000113.2K59 V85 A110 N111 S115K59-H113 HydrophobicContact CD-CB 4.25Å; K59-H113 WeakPolarHBondContact CD-O 3.47Å; K59-H113 WeakPolarHBondContact CE-O 3.3Å; K59-H113 PolarHBondContact NZ-O 3.42Å; V85-H113 HydrophobicContact CB-CB 4.4Å; V85-H113 HydrophobicContact CG1-CB 3.97Å; V85-H113 HydrophobicContact CG2-CB 4.17Å; A110-H113 WeakPolarHBondContact O-CB 3.44Å; A110-H113 PolarHBondContact O-N 3.16Å; N111-H113 PolarHBondContact O-N 3.02Å; H113-S115 PolarHBondContact O-N 2.9Å
114L93.9Very high92.3Very high7 Ų755.7 Ų55.74%0.03729%0.286CS..  trans-59.6131.2166.1-172.867.6000108.1I57 K59 N111 D118 I119 V142I57-L114 HydrophobicContact CG2-CD1 4.19Å; I57-L114 HydrophobicContact CG2-CD2 4.42Å; K59-L114 HydrophobicContact CG-CB 4.32Å; K59-L114 HydrophobicContact CG-CD1 4.06Å; N111-L114 PolarHBondContact O-N 2.71Å; L114-D118 HydrophobicContact CD1-CB 3.82Å; L114-I119 HydrophobicContact CD2-CD1 4.15Å; L114-V142 HydrophobicContact CB-CG1 4.46Å; L114-V142 HydrophobicContact CD2-CG1 3.81Å; L114-V142 HydrophobicContact CG-CG1 3.86Å; L114-V142 WeakPolarHBondContact O-CG2 3.47Å
115S94.9Very high92.6Very high34 Ų3453.6 Ų53.624%0.23828%0.275CS..  trans-118164-177.380.50000112.6H113 Q117 D118 I119H113-S115 PolarHBondContact O-N 2.9Å; S115-Q117 PolarHBondContact O-N 2.94Å; S115-Q117 PolarHBondContact OG-N 3.32Å; S115-Q117 PolarHBondContact OG-OE1 3.02Å; S115-D118 PolarHBondContact N-OD2 2.94Å; S115-D118 WeakPolarHBondContact O-CB 3.34Å; S115-D118 PolarHBondContact O-N 3.01Å; S115-D118 PolarHBondContact OG-N 2.94Å; S115-D118 PolarHBondContact OG-OD2 3.05Å; S115-D118 VanDerWaalsContact OG-OD2 3.11Å; S115-I119 PolarHBondContact O-N 3.35Å
116V96.5Very high92.8Very high37 Ų3748.7 Ų48.722%0.22425%0.25CC..Hα-helixtrans-55.1-39.1171.4177.60000110.7D118 I119 H120 E141 V142 E145V116-D118 VanDerWaalsContact C-N 3.3Å; V116-D118 PolarHBondContact O-N 3.48Å; V116-I119 WeakPolarHBondContact O-CB 3.15Å; V116-I119 PolarHBondContact O-N 3.26Å; V116-H120 PolarHBondContact O-CD2 3.4Å; V116-H120 VanDerWaalsContact O-CD2 3.26Å; V116-H120 PolarHBondContact O-N 2.96Å; V116-E141 HydrophobicContact CG2-CG 4.4Å; V116-V142 HydrophobicContact CG2-CG2 4.26Å; V116-E145 HydrophobicContact CG1-CB 4.19Å; V116-E145 HydrophobicContact CG1-CG 3.82Å
117Q95.7Very high92.8Very high119 Ų11952.1 Ų52.156%0.55626%0.259SS*.Hα-helixtrans-64.3-32.8176.2-68.278.114.600112.8S115 H120 K121S115-Q117 PolarHBondContact O-N 2.94Å; S115-Q117 PolarHBondContact OG-N 3.32Å; S115-Q117 PolarHBondContact OG-OE1 3.02Å; Q117-H120 PolarHBondContact O-N 2.84Å; Q117-K121 VanDerWaalsContact O-CG 3.3Å; Q117-K121 WeakPolarHBondContact O-CG 3.49Å; Q117-K121 PolarHBondContact O-N 2.83Å
118D93.3Very high92.5Very high10 Ų1055.2 Ų55.25%0.05327%0.273CS..Hα-helixtrans-69.4-38.5175.6-58.3-46.1000111.3K59 L83 L114 S115 V116 K121 A122K59-D118 WeakPolarHBondContact CE-OD2 3.41Å; K59-D118 IonicContact NZ-OD1 3.32Å; K59-D118 IonicContact NZ-OD2 3.89Å; K59-D118 PolarHBondContact NZ-OD2 3.01Å; L83-D118 HydrophobicContact CD1-CB 4.47Å; L114-D118 HydrophobicContact CD1-CB 3.82Å; S115-D118 PolarHBondContact N-OD2 2.94Å; S115-D118 WeakPolarHBondContact O-CB 3.34Å; S115-D118 PolarHBondContact O-N 3.01Å; S115-D118 PolarHBondContact OG-N 2.94Å; S115-D118 PolarHBondContact OG-OD2 3.05Å; S115-D118 VanDerWaalsContact OG-OD2 3.11Å; V116-D118 VanDerWaalsContact C-N 3.3Å; V116-D118 PolarHBondContact O-N 3.48Å; D118-K121 WeakPolarHBondContact O-CB 3.37Å; D118-K121 PolarHBondContact O-N 2.91Å; D118-K121 IonicContact OD1-NZ 3.67Å; D118-A122 PolarHBondContact O-N 3.43Å
119I93.5Very high92.6Very high5 Ų555.1 Ų55.13%0.02627%0.274CS..Hα-helixtrans-61.2-45.6172.4-60.6-55000110.9I57 L114 S115 V116 K121 A122 R123 F126 V142 E145 A146 I149I57-I119 HydrophobicContact CG2-CD1 4.03Å; L114-I119 HydrophobicContact CD2-CD1 4.15Å; S115-I119 PolarHBondContact O-N 3.35Å; V116-I119 WeakPolarHBondContact O-CB 3.15Å; V116-I119 PolarHBondContact O-N 3.26Å; I119-K121 PolarHBondContact O-N 2.95Å; I119-A122 CarbonylContact O-C 3.29Å; I119-A122 WeakPolarHBondContact O-CA 3.45Å; I119-A122 PolarHBondContact O-N 2.83Å; I119-A122 VanDerWaalsContact O-N 3.09Å; I119-R123 PolarHBondContact O-N 3.49Å; I119-F126 HydrophobicContact CG2-CE2 4.26Å; I119-F126 HydrophobicContact CG2-CZ 4.08Å; I119-V142 HydrophobicContact CD1-CG1 4.04Å; I119-V142 HydrophobicContact CG1-CG1 3.63Å; I119-E145 HydrophobicContact CG2-CB 4.44Å; I119-E145 HydrophobicContact CG2-CG 4.11Å; I119-A146 HydrophobicContact CD1-CB 4.26Å; I119-A146 HydrophobicContact CG2-CB 4.13Å; I119-I149 HydrophobicContact CG2-CD1 3.81Å
120H93.7Very high92.7Very high84 Ų8457.6 Ų57.639%0.38929%0.288SS..Hα-helixtrans-62.3-40.4175.1-69.5-50.2000112.9V116 Q117 A122 R123 E145V116-H120 PolarHBondContact O-CD2 3.4Å; V116-H120 VanDerWaalsContact O-CD2 3.26Å; V116-H120 PolarHBondContact O-N 2.96Å; Q117-H120 PolarHBondContact O-N 2.84Å; H120-A122 PolarHBondContact O-N 3.29Å; H120-R123 WeakPolarHBondContact O-CB 3.17Å; H120-R123 PolarHBondContact O-N 2.88Å; H120-R123 VanDerWaalsContact O-N 3.11Å; H120-E145 IonicContact CE1-OE1 3.68Å; H120-E145 PolarHBondContact CE1-OE1 3.21Å; H120-E145 IonicContact ND1-OE1 2.97Å; H120-E145 IonicContact NE2-OE1 2.72Å
121K91.6Very high92.8Very high124 Ų12458.6 Ų58.654%0.53929%0.294SS..Hα-helixtrans-58.8-39.7173.8-76.1168.6-175.3170.90110.4Q4 Q117 D118 I119 R123Q4-K121 PolarHBondContact NE2-O 3.41Å; Q4-K121 PolarHBondContact OE1-O 3.41Å; Q117-K121 VanDerWaalsContact O-CG 3.3Å; Q117-K121 WeakPolarHBondContact O-CG 3.49Å; Q117-K121 PolarHBondContact O-N 2.83Å; D118-K121 WeakPolarHBondContact O-CB 3.37Å; D118-K121 PolarHBondContact O-N 2.91Å; D118-K121 IonicContact OD1-NZ 3.67Å; I119-K121 PolarHBondContact O-N 2.95Å; K121-R123 VanDerWaalsContact C-N 3.26Å; K121-R123 PolarHBondContact O-N 3.31Å
122A89.2Confident93.1Very high0 Ų059.4 Ų59.40%030%0.299CS..THydrogen-bonded Turntrans-77.11.5178.700000114.9F6 I57 D118 I119 H120 N124 L125 F126F6-A122 HydrophobicContact CD2-CB 3.71Å; F6-A122 HydrophobicContact CE2-CB 3.56Å; I57-A122 HydrophobicContact CD1-CB 3.94Å; D118-A122 PolarHBondContact O-N 3.43Å; I119-A122 CarbonylContact O-C 3.29Å; I119-A122 WeakPolarHBondContact O-CA 3.45Å; I119-A122 PolarHBondContact O-N 2.83Å; I119-A122 VanDerWaalsContact O-N 3.09Å; H120-A122 PolarHBondContact O-N 3.29Å; A122-N124 PolarHBondContact O-N 3.19Å; A122-L125 VanDerWaalsContact O-CB 3.25Å; A122-L125 WeakPolarHBondContact O-CB 3.35Å; A122-L125 PolarHBondContact O-N 2.72Å; A122-F126 HydrophobicContact CB-CE2 4.09Å; A122-F126 WeakPolarHBondContact O-CD2 3.33Å
123R90.3Very high93.2Very high106 Ų10658.1 Ų58.140%0.429%0.292SS..Hα-helixtrans-51.3-32-172.9-171.3171.3-167.2175.46.5114.5I119 H120 K121 L125 F126 K127 I149 E152I119-R123 PolarHBondContact O-N 3.49Å; H120-R123 WeakPolarHBondContact O-CB 3.17Å; H120-R123 PolarHBondContact O-N 2.88Å; H120-R123 VanDerWaalsContact O-N 3.11Å; K121-R123 VanDerWaalsContact C-N 3.26Å; K121-R123 PolarHBondContact O-N 3.31Å; R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 2.63Å; R123-F126 PolarHBondContact O-N 3.33Å; R123-K127 PolarHBondContact O-N 2.76Å; R123-I149 HydrophobicContact CG-CG2 4.04Å; R123-E152 IonicContact NH2-OE1 3.25Å; R123-E152 IonicContact NH2-OE2 2.89Å; R123-E152 PolarHBondContact NH2-OE2 2.94Å
124N89.9Confident93.3Very high85 Ų8554.7 Ų54.746%0.45528%0.278SS..Hα-helixtrans-68.4-26.8177.8-73.8-29.6000113.7A122A122-N124 PolarHBondContact O-N 3.19Å
125L89.9Confident93.5Very high48 Ų4854.9 Ų54.925%0.25128%0.279SS..Hα-helixtrans-67.6-41.5174.6-174.660.2000110.6A55 I57 A122 R123 K127 N128 T129A55-L125 HydrophobicContact CB-CD1 4.38Å; A55-L125 HydrophobicContact CB-CD2 4Å; I57-L125 HydrophobicContact CD1-CD2 4.09Å; I57-L125 HydrophobicContact CG1-CD2 4.15Å; A122-L125 VanDerWaalsContact O-CB 3.25Å; A122-L125 WeakPolarHBondContact O-CB 3.35Å; A122-L125 PolarHBondContact O-N 2.72Å; R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 2.63Å; L125-K127 PolarHBondContact O-N 3.47Å; L125-N128 PolarHBondContact O-N 2.97Å; L125-T129 PolarHBondContact O-OG1 2.99Å
126F91.8Very high93.5Very high8 Ų854 Ų544%0.03527%0.271CS..Hα-helixtrans-59.4-43.5179-68.8-98.2000112.3I57 I119 A122 R123 N128 T129 V132 A146 I149 A150 S153I57-F126 HydrophobicContact CD1-CE2 3.72Å; I57-F126 HydrophobicContact CD1-CZ 3.79Å; I119-F126 HydrophobicContact CG2-CE2 4.26Å; I119-F126 HydrophobicContact CG2-CZ 4.08Å; A122-F126 HydrophobicContact CB-CE2 4.09Å; A122-F126 WeakPolarHBondContact O-CD2 3.33Å; R123-F126 PolarHBondContact O-N 3.33Å; F126-N128 PolarHBondContact O-N 2.79Å; F126-T129 WeakPolarHBondContact O-CB 3.38Å; F126-T129 PolarHBondContact O-N 3.33Å; F126-V132 HydrophobicContact CD1-CG2 3.85Å; F126-V132 HydrophobicContact CE1-CG1 4.1Å; F126-V132 HydrophobicContact CE1-CG2 4.08Å; F126-A146 HydrophobicContact CE1-CB 4.22Å; F126-A146 HydrophobicContact CZ-CB 4.16Å; F126-I149 HydrophobicContact CB-CG2 3.76Å; F126-I149 HydrophobicContact CD1-CB 4.39Å; F126-I149 HydrophobicContact CD1-CG2 3.98Å; F126-I149 HydrophobicContact CD2-CG2 4.1Å; F126-I149 HydrophobicContact CG-CG2 3.68Å; F126-A150 HydrophobicContact CD1-CB 3.96Å; F126-A150 HydrophobicContact CE1-CB 4.28Å; F126-S153 PolarHBondContact O-OG 3.14Å
127K89.1Confident93.4Very high134 Ų13453.2 Ų53.258%0.58327%0.265SS*.THydrogen-bonded Turntrans-53.3-29.4-177.3-71.7-176.6177.3178.90115.1R123 L125R123-K127 PolarHBondContact O-N 2.76Å; L125-K127 PolarHBondContact O-N 3.47Å
128N86.4Confident93.3Very high146 Ų14648.9 Ų48.978%0.78125%0.245SC*.THydrogen-bonded Turntrans-109.818.7-178.1-61.5-59.2000112.6L125 F126L125-N128 PolarHBondContact O-N 2.97Å; F126-N128 PolarHBondContact O-N 2.79Å
129T93.5Very high93.3Very high39 Ų3952.5 Ų52.524%0.23926%0.26CS..  trans-112122-174.2-65.40000110.3L125 F126 V131 V132L125-T129 PolarHBondContact O-OG1 2.99Å; F126-T129 WeakPolarHBondContact O-CB 3.38Å; F126-T129 PolarHBondContact O-N 3.33Å; T129-V131 WeakPolarHBondContact CG2-O 3.41Å; T129-V132 HydrophobicContact CG2-CG2 3.9Å
130S96.2Very high93.4Very high72 Ų7255.2 Ų55.250%0.50328%0.278SS..SBendtrans-74.1-30.4-179.1-49.60000113.6G154 V155S130-G154 WeakPolarHBondContact O-CA 3.28Å; S130-V155 PolarHBondContact O-N 3.38Å
131V97.9Very high93.5Very high22 Ų2256.1 Ų56.113%0.13328%0.283CS..EExtended strand (participates in β ladder)trans-140.8131.6-178.1177.10000109.9T129 V155 I157 A258 T261 A262T129-V131 WeakPolarHBondContact CG2-O 3.41Å; V131-V155 VanDerWaalsContact CA-O 3.32Å; V131-V155 WeakPolarHBondContact CA-O 3.34Å; V131-V155 HydrophobicContact CG2-CB 4.34Å; V131-I157 HydrophobicContact CG1-CD1 3.72Å; V131-I157 HydrophobicContact CG1-CG1 3.94Å; V131-A258 HydrophobicContact CG1-CB 4.02Å; V131-T261 HydrophobicContact CG2-CG2 3.71Å; V131-A262 HydrophobicContact CB-CB 4.31Å; V131-A262 HydrophobicContact CG2-CB 3.67Å
132V97.5Very high93.8Very high17 Ų1750.5 Ų50.510%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-114.1125.5168.5174.90000108.6F126 T129 A150 V155 I157F126-V132 HydrophobicContact CD1-CG2 3.85Å; F126-V132 HydrophobicContact CE1-CG1 4.1Å; F126-V132 HydrophobicContact CE1-CG2 4.08Å; T129-V132 HydrophobicContact CG2-CG2 3.9Å; V132-A150 HydrophobicContact CB-CB 3.53Å; V132-A150 HydrophobicContact CG1-CB 3.93Å; V132-A150 HydrophobicContact CG2-CB 3.47Å; V132-A150 VanDerWaalsContact CG2-CB 3.47Å; V132-V155 PolarHBondContact N-O 3.11Å; V132-I157 PolarHBondContact O-N 2.78Å
133L97.8Very high94.1Very high37 Ų3750.8 Ų50.819%0.19426%0.26CS..EExtended strand (participates in β ladder)trans-117.1116.6-177.8171.957.8000109.5Q43 Q135 I157 L254 A258Q43-L133 HydrophobicContact CB-CD2 3.74Å; Q43-L133 HydrophobicContact CG-CD2 4.19Å; Q43-L133 VanDerWaalsContact OE1-CG 3.24Å; L133-Q135 PolarHBondContact O-NE2 3.38Å; L133-I157 VanDerWaalsContact CA-O 3.32Å; L133-I157 WeakPolarHBondContact CA-O 3.39Å; L133-I157 HydrophobicContact CB-CB 4.43Å; L133-I157 HydrophobicContact CD1-CB 3.7Å; L133-I157 HydrophobicContact CD1-CG2 3.52Å; L133-L254 HydrophobicContact CD1-CD2 4.06Å; L133-L254 HydrophobicContact CD2-CB 4.25Å; L133-A258 HydrophobicContact CD2-CB 3.99Å
134C97.4Very high94.5Very high15 Ų1546.7 Ų46.710%0.10125%0.246CC..EExtended strand (participates in β ladder)trans-118.5152.6-177.6-62.80000112.4V143 L147 I157 F158 N159C134-V143 HydrophobicContact CB-CG1 3.89Å; C134-L147 HydrophobicContact CB-CD2 4.25Å; C134-L147 HydrophobicContact CB-CG 4.48Å; C134-I157 PolarHBondContact N-O 3.31Å; C134-F158 HydrophobicContact CB-CD2 4.33Å; C134-N159 PolarHBondContact O-N 2.97Å
135Q96.4Very high94.8Very high11 Ų1144.7 Ų44.75%0.05123%0.234CC..  trans-133.9179.7174.2-37.875.734.100110.8K39 Q43 L133 V143 N159K39-Q135 HydrophobicContact CB-CB 4.22Å; K39-Q135 HydrophobicContact CB-CG 3.81Å; K39-Q135 HydrophobicContact CD-CB 4.3Å; Q43-Q135 VanDerWaalsContact OE1-CD 3.32Å; L133-Q135 PolarHBondContact O-NE2 3.38Å; Q135-V143 VanDerWaalsContact O-CG2 3.25Å; Q135-V143 WeakPolarHBondContact O-CG2 3.44Å; Q135-N159 VanDerWaalsContact CA-O 3.24Å; Q135-N159 WeakPolarHBondContact CA-O 3.37Å; Q135-N159 HydrophobicContact CG-CB 4.11Å
136L95.1Very high95.1Very high15 Ų1542.7 Ų42.78%0.07923%0.225CC..SBendtrans-103.834.1-177.5-68.1176000113.9V143 F158 P160 A161 P164 L167L136-V143 HydrophobicContact CD2-CB 4.5Å; L136-V143 HydrophobicContact CD2-CG1 4.34Å; L136-V143 HydrophobicContact CD2-CG2 4.27Å; L136-F158 HydrophobicContact CD1-CE2 4.45Å; L136-F158 HydrophobicContact CD1-CZ 3.9Å; L136-F158 HydrophobicContact CD2-CE2 3.98Å; L136-F158 HydrophobicContact CD2-CZ 3.91Å; L136-F158 HydrophobicContact CG-CE2 3.87Å; L136-F158 HydrophobicContact CG-CZ 3.8Å; L136-P160 HydrophobicContact CD1-CB 4.32Å; L136-A161 PolarHBondContact N-O 3.21Å; L136-P164 VanDerWaalsContact CD1-CD 3.46Å; L136-P164 HydrophobicContact CD1-CG 3.87Å; L136-L167 HydrophobicContact CD1-CD1 3.72Å
137E94.2Very high95.4Very high20 Ų2042.3 Ų42.39%0.09322%0.223CC..SBendtrans-888.6166.5-65.5-171.9142.300112.8L10 G38 K39 L108 N111L10-E137 VanDerWaalsContact CD1-CD 3.43Å; L10-E137 HydrophobicContact CD1-CG 4.42Å; L10-E137 WeakPolarHBondContact CD1-OE1 3.44Å; L10-E137 WeakPolarHBondContact CD1-OE2 3.28Å; G38-E137 WeakPolarHBondContact CA-OE2 3.44Å; K39-E137 HydrophobicContact CD-CG 4.29Å; K39-E137 PolarHBondContact N-OE2 2.98Å; L108-E137 HydrophobicContact CD2-CB 4Å; L108-E137 HydrophobicContact CD2-CG 4.29Å; N111-E137 WeakPolarHBondContact CB-O 3.4Å; N111-E137 PolarHBondContact ND2-O 3.35Å
138H93.9Very high95.8Very high29 Ų2938.7 Ų38.713%0.13421%0.207CC..SBendtrans-127.1170.4173.7-64.2-77.9000109.8N9 N111 V143N9-H138 PolarHBondContact ND2-CE1 2.97Å; N111-H138 PolarHBondContact O-ND1 3.42Å; H138-V143 HydrophobicContact CB-CG2 4.04Å
139K94.3Very high96.2Very high85 Ų8532.2 Ų32.237%0.3717%0.172SC..  trans-61.4133.7176.3-67.9178.2172.1160.70111.1L112 E141 V142 V143L112-K139 HydrophobicContact CD2-CG 4.16Å; L112-K139 WeakPolarHBondContact O-CD 3.41Å; L112-K139 WeakPolarHBondContact O-CE 3.5Å; L112-K139 PolarHBondContact O-NZ 3.29Å; K139-E141 VanDerWaalsContact C-N 3.25Å; K139-E141 WeakPolarHBondContact CD-OE1 3.36Å; K139-E141 PolarHBondContact O-N 2.89Å; K139-E141 VanDerWaalsContact O-N 3.17Å; K139-V142 HydrophobicContact CB-CG2 3.99Å; K139-V142 WeakPolarHBondContact O-CB 3.39Å; K139-V142 PolarHBondContact O-N 3.12Å; K139-V143 PolarHBondContact O-N 3.33Å
140P95.5Very high96.3Very high63 Ų6330.3 Ų30.341%0.40916%0.161SC..Hα-helixtrans-54.4-36.3-176.2-28.935.9000114.6V142 V143 L144 L171P140-V142 VanDerWaalsContact C-N 3.3Å; P140-V142 PolarHBondContact O-N 3.04Å; P140-V143 PolarHBondContact O-N 3.22Å; P140-L144 WeakPolarHBondContact O-CB 3.09Å; P140-L144 PolarHBondContact O-N 3.03Å; P140-L171 HydrophobicContact CB-CD1 4.38Å
141E96.3Very high96.2Very high103 Ų10330.1 Ų30.148%0.48115%0.151SC..Hα-helixtrans-66.4-30.6178.365.7-85.4-161.900113.1V116 K139 E145V116-E141 HydrophobicContact CG2-CG 4.4Å; K139-E141 VanDerWaalsContact C-N 3.25Å; K139-E141 WeakPolarHBondContact CD-OE1 3.36Å; K139-E141 PolarHBondContact O-N 2.89Å; K139-E141 VanDerWaalsContact O-N 3.17Å; E141-E145 PolarHBondContact O-N 3.34Å; E141-E145 VanDerWaalsContact O-N 3.11Å
142V96.4Very high95.8Very high5 Ų535.7 Ų35.73%0.0318%0.176CC..Hα-helixtrans-74.4-42.4176.6179.70000110.1L114 V116 I119 K139 P140 L144 E145 A146L114-V142 HydrophobicContact CB-CG1 4.46Å; L114-V142 HydrophobicContact CD2-CG1 3.81Å; L114-V142 HydrophobicContact CG-CG1 3.86Å; L114-V142 WeakPolarHBondContact O-CG2 3.47Å; V116-V142 HydrophobicContact CG2-CG2 4.26Å; I119-V142 HydrophobicContact CD1-CG1 4.04Å; I119-V142 HydrophobicContact CG1-CG1 3.63Å; K139-V142 HydrophobicContact CB-CG2 3.99Å; K139-V142 WeakPolarHBondContact O-CB 3.39Å; K139-V142 PolarHBondContact O-N 3.12Å; P140-V142 VanDerWaalsContact C-N 3.3Å; P140-V142 PolarHBondContact O-N 3.04Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-E145 PolarHBondContact O-N 3.29Å; V142-A146 PolarHBondContact O-N 3.32Å
143V97Very high95.4Very high6 Ų637 Ų374%0.03619%0.185CC..Hα-helixtrans-60.5-45.7175.1174.90000110.3C134 Q135 L136 H138 K139 P140 E145 A146 L147 F158 L171C134-V143 HydrophobicContact CB-CG1 3.89Å; Q135-V143 VanDerWaalsContact O-CG2 3.25Å; Q135-V143 WeakPolarHBondContact O-CG2 3.44Å; L136-V143 HydrophobicContact CD2-CB 4.5Å; L136-V143 HydrophobicContact CD2-CG1 4.34Å; L136-V143 HydrophobicContact CD2-CG2 4.27Å; H138-V143 HydrophobicContact CB-CG2 4.04Å; K139-V143 PolarHBondContact O-N 3.33Å; P140-V143 PolarHBondContact O-N 3.22Å; V143-E145 PolarHBondContact O-N 2.89Å; V143-A146 PolarHBondContact O-N 2.8Å; V143-L147 HydrophobicContact CG1-CD1 4.1Å; V143-L147 WeakPolarHBondContact O-CG 3.29Å; V143-L147 PolarHBondContact O-N 2.79Å; V143-F158 HydrophobicContact CG1-CD2 4.19Å; V143-F158 HydrophobicContact CG1-CE2 3.77Å; V143-L171 HydrophobicContact CB-CD2 4.18Å; V143-L171 HydrophobicContact CG1-CD2 3.74Å
144L97.3Very high95.2Very high21 Ų2136.2 Ų36.211%0.1119%0.186CC..Hα-helixtrans-59.9-45.3177.2178.160.8000111.9P140 V142 A146 L147 K148 E170 L171 Y174P140-L144 WeakPolarHBondContact O-CB 3.09Å; P140-L144 PolarHBondContact O-N 3.03Å; V142-L144 VanDerWaalsContact C-N 3.33Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.36Å; L144-L147 PolarHBondContact O-N 3.14Å; L144-K148 HydrophobicContact CD1-CD 4.46Å; L144-K148 HydrophobicContact CD1-CG 4.42Å; L144-K148 HydrophobicContact CG-CD 4.3Å; L144-K148 WeakPolarHBondContact O-CG 3.34Å; L144-K148 PolarHBondContact O-N 3.26Å; L144-E170 HydrophobicContact CD1-CB 3.76Å; L144-E170 HydrophobicContact CD2-CB 4.25Å; L144-E170 WeakPolarHBondContact CD2-OE2 3.47Å; L144-L171 HydrophobicContact CB-CD2 3.7Å; L144-L171 HydrophobicContact CB-CG 4.41Å; L144-L171 HydrophobicContact CD1-CD2 4.2Å; L144-L171 HydrophobicContact CD1-CG 4.4Å; L144-Y174 HydrophobicContact CD1-CD2 3.96Å
145E97.3Very high95.2Very high43 Ų4337.7 Ų37.720%0.20119%0.194CC..Hα-helixtrans-63.2-41.9178.3-170.263-158.600111.8V116 I119 H120 E141 V142 V143 L147 K148 I149V116-E145 HydrophobicContact CG1-CB 4.19Å; V116-E145 HydrophobicContact CG1-CG 3.82Å; I119-E145 HydrophobicContact CG2-CB 4.44Å; I119-E145 HydrophobicContact CG2-CG 4.11Å; H120-E145 IonicContact CE1-OE1 3.68Å; H120-E145 PolarHBondContact CE1-OE1 3.21Å; H120-E145 IonicContact ND1-OE1 2.97Å; H120-E145 IonicContact NE2-OE1 2.72Å; E141-E145 PolarHBondContact O-N 3.34Å; E141-E145 VanDerWaalsContact O-N 3.11Å; V142-E145 PolarHBondContact O-N 3.29Å; V143-E145 PolarHBondContact O-N 2.89Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 3.46Å; E145-K148 PolarHBondContact O-N 2.7Å; E145-I149 HydrophobicContact CG-CD1 4.3Å; E145-I149 WeakPolarHBondContact O-CG1 3.48Å; E145-I149 PolarHBondContact O-N 3.17Å
146A96.5Very high95.3Very high6 Ų637.1 Ų37.15%0.0519%0.192CC..Hα-helixtrans-61.1-42.4176.400000111.8I119 F126 V142 V143 L144 A150I119-A146 HydrophobicContact CD1-CB 4.26Å; I119-A146 HydrophobicContact CG2-CB 4.13Å; F126-A146 HydrophobicContact CE1-CB 4.22Å; F126-A146 HydrophobicContact CZ-CB 4.16Å; V142-A146 PolarHBondContact O-N 3.32Å; V143-A146 PolarHBondContact O-N 2.8Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.36Å; A146-A150 WeakPolarHBondContact O-CB 3.29Å; A146-A150 PolarHBondContact O-N 3.37Å
147L97.4Very high95.5Very high0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-65.2-40.6175.9-67.8169.9000111.9C134 V143 L144 E145 A150 K151 T156 F158 L171C134-L147 HydrophobicContact CB-CD2 4.25Å; C134-L147 HydrophobicContact CB-CG 4.48Å; V143-L147 HydrophobicContact CG1-CD1 4.1Å; V143-L147 WeakPolarHBondContact O-CG 3.29Å; V143-L147 PolarHBondContact O-N 2.79Å; L144-L147 PolarHBondContact O-N 3.14Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 3.46Å; L147-A150 PolarHBondContact O-N 3.45Å; L147-K151 WeakPolarHBondContact O-CB 3.14Å; L147-K151 PolarHBondContact O-N 2.82Å; L147-T156 HydrophobicContact CD2-CG2 4.06Å; L147-F158 HydrophobicContact CD1-CB 4.4Å; L147-F158 HydrophobicContact CD1-CD2 4.26Å; L147-F158 HydrophobicContact CD1-CG 4.25Å; L147-F158 HydrophobicContact CD2-CB 4.46Å; L147-L171 HydrophobicContact CD1-CD2 3.86Å
148K96.6Very high95.7Very high58 Ų5835.5 Ų35.525%0.25218%0.184SC..Hα-helixtrans-59.2-50.8176.2-77.3178.2177173.30111.6L144 E145 A150 K151 E170 Y174L144-K148 HydrophobicContact CD1-CD 4.46Å; L144-K148 HydrophobicContact CD1-CG 4.42Å; L144-K148 HydrophobicContact CG-CD 4.3Å; L144-K148 WeakPolarHBondContact O-CG 3.34Å; L144-K148 PolarHBondContact O-N 3.26Å; E145-K148 PolarHBondContact O-N 2.7Å; K148-A150 PolarHBondContact O-N 3.12Å; K148-K151 PolarHBondContact O-N 3.3Å; K148-E170 IonicContact NZ-OE2 2.8Å; K148-E170 PolarHBondContact NZ-OE2 3.05Å; K148-Y174 HydrophobicContact CB-CD1 4.4Å; K148-Y174 HydrophobicContact CB-CE1 4.47Å; K148-Y174 HydrophobicContact CD-CE2 4.25Å; K148-Y174 HydrophobicContact CG-CD1 3.76Å; K148-Y174 HydrophobicContact CG-CD2 3.9Å; K148-Y174 HydrophobicContact CG-CE1 3.74Å; K148-Y174 HydrophobicContact CG-CE2 3.9Å; K148-Y174 HydrophobicContact CG-CG 3.85Å
149I95.6Very high95.9Very high9 Ų934.4 Ų34.45%0.04618%0.179CC..Hα-helixtrans-64.2-42.3178.8-63.9179.4000110.9I119 R123 F126 E145 K151 E152I119-I149 HydrophobicContact CG2-CD1 3.81Å; R123-I149 HydrophobicContact CG-CG2 4.04Å; F126-I149 HydrophobicContact CB-CG2 3.76Å; F126-I149 HydrophobicContact CD1-CB 4.39Å; F126-I149 HydrophobicContact CD1-CG2 3.98Å; F126-I149 HydrophobicContact CD2-CG2 4.1Å; F126-I149 HydrophobicContact CG-CG2 3.68Å; E145-I149 HydrophobicContact CG-CD1 4.3Å; E145-I149 WeakPolarHBondContact O-CG1 3.48Å; E145-I149 PolarHBondContact O-N 3.17Å; I149-K151 VanDerWaalsContact C-N 3.33Å; I149-K151 PolarHBondContact O-N 3.34Å; I149-E152 WeakPolarHBondContact O-CB 3.1Å; I149-E152 PolarHBondContact O-N 2.99Å
150A96.1Very high96Very high0 Ų030.4 Ų30.40%016%0.161CC..Hα-helixtrans-65.6-33.6-177.700000113.7F126 V132 A146 L147 K148 E152 S153 G154 T156F126-A150 HydrophobicContact CD1-CB 3.96Å; F126-A150 HydrophobicContact CE1-CB 4.28Å; V132-A150 HydrophobicContact CB-CB 3.53Å; V132-A150 HydrophobicContact CG1-CB 3.93Å; V132-A150 HydrophobicContact CG2-CB 3.47Å; V132-A150 VanDerWaalsContact CG2-CB 3.47Å; A146-A150 WeakPolarHBondContact O-CB 3.29Å; A146-A150 PolarHBondContact O-N 3.37Å; L147-A150 PolarHBondContact O-N 3.45Å; K148-A150 PolarHBondContact O-N 3.12Å; A150-E152 PolarHBondContact O-N 3.47Å; A150-E152 VanDerWaalsContact O-N 3.1Å; A150-S153 PolarHBondContact O-N 3.33Å; A150-S153 PolarHBondContact O-OG 3.15Å; A150-G154 PolarHBondContact O-N 2.9Å; A150-T156 HydrophobicContact CB-CG2 3.51Å
151K93.6Very high95.9Very high67 Ų6727.4 Ų27.429%0.29114%0.142SC..THydrogen-bonded Turntrans-57.3-24.1177-160.7104.1174.41750112.5L147 K148 I149 L173 Y174 D176L147-K151 WeakPolarHBondContact O-CB 3.14Å; L147-K151 PolarHBondContact O-N 2.82Å; K148-K151 PolarHBondContact O-N 3.3Å; I149-K151 VanDerWaalsContact C-N 3.33Å; I149-K151 PolarHBondContact O-N 3.34Å; K151-L173 PolarHBondContact NZ-O 3.33Å; K151-Y174 HydrophobicContact CB-CD1 4.43Å; K151-Y174 HydrophobicContact CD-CD1 4.21Å; K151-Y174 WeakPolarHBondContact CD-O 3.4Å; K151-Y174 HydrophobicContact CG-CD1 4.44Å; K151-D176 IonicContact NZ-OD1 2.7Å; K151-D176 PolarHBondContact NZ-OD1 3.4Å; K151-D176 VanDerWaalsContact NZ-OD1 3.14Å
152E90.4Very high95.6Very high140 Ų14026 Ų2665%0.65414%0.142SC*.THydrogen-bonded Turntrans-76.4-20177.4-58.8179.5167.900113.2R123 I149 A150R123-E152 IonicContact NH2-OE1 3.25Å; R123-E152 IonicContact NH2-OE2 2.89Å; R123-E152 PolarHBondContact NH2-OE2 2.94Å; I149-E152 WeakPolarHBondContact O-CB 3.1Å; I149-E152 PolarHBondContact O-N 2.99Å; A150-E152 PolarHBondContact O-N 3.47Å; A150-E152 VanDerWaalsContact O-N 3.1Å
153S88Confident95.2Very high44 Ų4427 Ų2731%0.30815%0.15SC..THydrogen-bonded Turntrans-132.6-18.3-166.562.50000115.9F126 A150F126-S153 PolarHBondContact O-OG 3.14Å; A150-S153 PolarHBondContact O-N 3.33Å; A150-S153 PolarHBondContact O-OG 3.15Å
154G94.1Very high94.7Very high20 Ų2028.5 Ų28.521%0.20616%0.16CC..SBendtrans-164-173.7-176.300000113.2S130 A150S130-G154 WeakPolarHBondContact O-CA 3.28Å; A150-G154 PolarHBondContact O-N 2.9Å
155V97.4Very high94Very high46 Ų4637.7 Ų37.728%0.27920%0.2SC..EExtended strand (participates in β ladder)trans-79.9132.4177.9-179.30000109.7S130 V131 V132 D176 I177 T261S130-V155 PolarHBondContact O-N 3.38Å; V131-V155 VanDerWaalsContact CA-O 3.32Å; V131-V155 WeakPolarHBondContact CA-O 3.34Å; V131-V155 HydrophobicContact CG2-CB 4.34Å; V132-V155 PolarHBondContact N-O 3.11Å; V155-D176 HydrophobicContact CG1-CB 3.94Å; V155-I177 HydrophobicContact CG1-CD1 4.2Å; V155-I177 HydrophobicContact CG1-CG1 4.43Å; V155-T261 HydrophobicContact CB-CG2 3.96Å; V155-T261 HydrophobicContact CG1-CG2 3.86Å; V155-T261 HydrophobicContact CG2-CG2 4.01Å
156T98.4Very high93.5Very high0 Ų044.2 Ų44.20%023%0.23CC..EExtended strand (participates in β ladder)trans-97122.3174.152.20000111.8L147 A150 Y174 S175 D176 I177L147-T156 HydrophobicContact CD2-CG2 4.06Å; A150-T156 HydrophobicContact CB-CG2 3.51Å; T156-Y174 WeakPolarHBondContact CB-O 3.08Å; T156-Y174 PolarHBondContact OG1-O 3.04Å; T156-S175 WeakPolarHBondContact OG1-CA 3.21Å; T156-D176 PolarHBondContact N-OD2 3.09Å; T156-D176 VanDerWaalsContact N-OD2 3.17Å; T156-D176 PolarHBondContact O-N 3.36Å; T156-D176 PolarHBondContact OG1-N 3.27Å; T156-D176 PolarHBondContact OG1-OD2 2.92Å; T156-I177 PolarHBondContact O-N 2.88Å
157I98.6Very high93.3Very high0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-109.8130171.2-50.4-177.4000108.3V131 V132 L133 C134 I177 L254 L257 A258V131-I157 HydrophobicContact CG1-CD1 3.72Å; V131-I157 HydrophobicContact CG1-CG1 3.94Å; V132-I157 PolarHBondContact O-N 2.78Å; L133-I157 VanDerWaalsContact CA-O 3.32Å; L133-I157 WeakPolarHBondContact CA-O 3.39Å; L133-I157 HydrophobicContact CB-CB 4.43Å; L133-I157 HydrophobicContact CD1-CB 3.7Å; L133-I157 HydrophobicContact CD1-CG2 3.52Å; C134-I157 PolarHBondContact N-O 3.31Å; I157-I177 CarbonylContact C-O 3.06Å; I157-I177 WeakPolarHBondContact CA-O 3.44Å; I157-I177 HydrophobicContact CD1-CD1 4.28Å; I157-I177 HydrophobicContact CG1-CB 4.22Å; I157-I177 HydrophobicContact CG1-CD1 4.12Å; I157-I177 HydrophobicContact CG2-CB 4.29Å; I157-I177 HydrophobicContact CG2-CG2 4.37Å; I157-L254 HydrophobicContact CG2-CD2 3.91Å; I157-L257 HydrophobicContact CD1-CG 4.24Å; I157-A258 HydrophobicContact CD1-CB 4.11Å
158F98.4Very high93.1Very high0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-124.9121.3178.3179-131.9000110.9C134 L136 V143 L147 P160 L167 L171 L172 S175 I177 V178 C179C134-F158 HydrophobicContact CB-CD2 4.33Å; L136-F158 HydrophobicContact CD1-CE2 4.45Å; L136-F158 HydrophobicContact CD1-CZ 3.9Å; L136-F158 HydrophobicContact CD2-CE2 3.98Å; L136-F158 HydrophobicContact CD2-CZ 3.91Å; L136-F158 HydrophobicContact CG-CE2 3.87Å; L136-F158 HydrophobicContact CG-CZ 3.8Å; V143-F158 HydrophobicContact CG1-CD2 4.19Å; V143-F158 HydrophobicContact CG1-CE2 3.77Å; L147-F158 HydrophobicContact CD1-CB 4.4Å; L147-F158 HydrophobicContact CD1-CD2 4.26Å; L147-F158 HydrophobicContact CD1-CG 4.25Å; L147-F158 HydrophobicContact CD2-CB 4.46Å; F158-P160 HydrophobicContact CD1-CB 4.27Å; F158-P160 HydrophobicContact CE1-CB 3.64Å; F158-P160 HydrophobicContact CZ-CB 3.81Å; F158-P160 WeakPolarHBondContact O-CD 3.33Å; F158-L167 HydrophobicContact CE1-CD1 4.34Å; F158-L167 HydrophobicContact CE1-CD2 4.25Å; F158-L167 HydrophobicContact CZ-CD1 4.2Å; F158-L171 HydrophobicContact CD1-CB 4.46Å; F158-L171 HydrophobicContact CE1-CB 3.86Å; F158-L171 HydrophobicContact CZ-CB 4.22Å; F158-L171 HydrophobicContact CZ-CD1 4.27Å; F158-L171 HydrophobicContact CZ-CD2 4.45Å; F158-L172 HydrophobicContact CD1-CD2 4.28Å; F158-L172 HydrophobicContact CE1-CD2 4.28Å; F158-S175 WeakPolarHBondContact CB-OG 3.24Å; F158-I177 PolarHBondContact N-O 3.02Å; F158-V178 HydrophobicContact CD1-CG2 4.09Å; F158-V178 WeakPolarHBondContact O-CA 3.48Å; F158-C179 PolarHBondContact O-N 3.49Å
159N98.3Very high92.9Very high7 Ų751.9 Ų51.94%0.03727%0.271CS..  trans-101.7104.4169.6170.7-137.5000108.2Q43 C134 Q135 A161 C179 L254Q43-N159 PolarHBondContact NE2-OD1 3.02Å; C134-N159 PolarHBondContact O-N 2.97Å; Q135-N159 VanDerWaalsContact CA-O 3.24Å; Q135-N159 WeakPolarHBondContact CA-O 3.37Å; Q135-N159 HydrophobicContact CG-CB 4.11Å; N159-A161 WeakPolarHBondContact ND2-CB 3.31Å; N159-A161 PolarHBondContact O-N 3.45Å; N159-A161 WeakPolarHBondContact OD1-CB 3.48Å; N159-C179 PolarHBondContact ND2-O 2.86Å; N159-L254 HydrophobicContact CB-CD1 3.41Å; N159-L254 VanDerWaalsContact CB-CD1 3.41Å; N159-L254 HydrophobicContact CB-CD2 4.31Å; N159-L254 HydrophobicContact CB-CG 4.5Å
160P96.7Very high92.9Very high0 Ų055.5 Ų55.50%029%0.288CS..  trans-77.955.6-175.236.2-39.2000111.4L136 F158 P162 A163 L167 V178 P180 I188L136-P160 HydrophobicContact CD1-CB 4.32Å; F158-P160 HydrophobicContact CD1-CB 4.27Å; F158-P160 HydrophobicContact CE1-CB 3.64Å; F158-P160 HydrophobicContact CZ-CB 3.81Å; F158-P160 WeakPolarHBondContact O-CD 3.33Å; P160-P162 CarbonylContact O-C 3.37Å; P160-A163 VanDerWaalsContact O-CA 3.29Å; P160-A163 WeakPolarHBondContact O-CA 3.45Å; P160-A163 PolarHBondContact O-N 3.31Å; P160-L167 HydrophobicContact CB-CD2 4.32Å; P160-V178 HydrophobicContact CG-CG2 4.19Å; P160-P180 HydrophobicContact CG-CB 3.81Å; P160-P180 HydrophobicContact CG-CG 4.48Å; P160-I188 HydrophobicContact CB-CD1 3.51Å; P160-I188 HydrophobicContact CG-CD1 3.47Å; P160-I188 VanDerWaalsContact CG-CD1 3.47Å
161A93.1Very high93Very high0 Ų055.5 Ų55.50%029%0.288CS..  trans-123.4134.9-17400000111.1K39 L136 N159 E184K39-A161 HydrophobicContact CD-CB 3.89Å; K39-A161 VanDerWaalsContact CE-CB 3.5Å; L136-A161 PolarHBondContact N-O 3.21Å; N159-A161 WeakPolarHBondContact ND2-CB 3.31Å; N159-A161 PolarHBondContact O-N 3.45Å; N159-A161 WeakPolarHBondContact OD1-CB 3.48Å; A161-E184 WeakPolarHBondContact CB-OE1 3.39Å
162P89.6Confident93.1Very high73 Ų7352.4 Ų52.447%0.47428%0.275SS..SBendcis-62.9145.6-13.229-34.9000111.3P160P160-P162 CarbonylContact O-C 3.37Å
163A88.5Confident93.4Very high26 Ų2649.9 Ų49.922%0.21527%0.265CS..PPolyproline II helixtrans-64.7125.9178.500000110.3P160 E184 A187 I188P160-A163 VanDerWaalsContact O-CA 3.29Å; P160-A163 WeakPolarHBondContact O-CA 3.45Å; P160-A163 PolarHBondContact O-N 3.31Å; A163-E184 HydrophobicContact CB-CB 4.02Å; A163-E184 HydrophobicContact CB-CG 3.91Å; A163-A187 HydrophobicContact CB-CB 3.83Å; A163-I188 HydrophobicContact CB-CD1 4.48Å; A163-I188 HydrophobicContact CB-CG1 4.39Å
164P87.1Confident93.8Very high38 Ų3851.3 Ų51.325%0.24726%0.264CS..PPolyproline II helixtrans-77162.3175.833.9-32.8000109.2L136 E166 L167L136-P164 VanDerWaalsContact CD1-CD 3.46Å; L136-P164 HydrophobicContact CD1-CG 3.87Å; P164-E166 WeakPolarHBondContact CB-O 2.97Å; P164-E166 VanDerWaalsContact CG-O 3.27Å; P164-E166 WeakPolarHBondContact CG-O 3.28Å; P164-E166 PolarHBondContact O-N 3.12Å; P164-L167 HydrophobicContact CG-CB 3.98Å; P164-L167 HydrophobicContact CG-CD1 3.66Å; P164-L167 HydrophobicContact CG-CG 4.44Å
165K81.4Confident94Very high215 Ų21550.3 Ų50.394%0.93525%0.254SS*.SBendtrans-58.8-37172.6-71.7-175.1177.5-178.20112.1
166E87.3Confident94Very high179 Ų17948.9 Ų48.984%0.83625%0.245SC*.SBendtrans-132.5130.1177.2-66-177.9-178.200108.7P164P164-E166 WeakPolarHBondContact CB-O 2.97Å; P164-E166 VanDerWaalsContact CG-O 3.27Å; P164-E166 WeakPolarHBondContact CG-O 3.28Å; P164-E166 PolarHBondContact O-N 3.12Å
167L91.6Very high94Very high32 Ų3249 Ų4917%0.16825%0.246CC..  trans-116.3124.9177.8-171.973.1000109.2L136 F158 P160 P164 K169 L171 L172 I188L136-L167 HydrophobicContact CD1-CD1 3.72Å; F158-L167 HydrophobicContact CE1-CD1 4.34Å; F158-L167 HydrophobicContact CE1-CD2 4.25Å; F158-L167 HydrophobicContact CZ-CD1 4.2Å; P160-L167 HydrophobicContact CB-CD2 4.32Å; P164-L167 HydrophobicContact CG-CB 3.98Å; P164-L167 HydrophobicContact CG-CD1 3.66Å; P164-L167 HydrophobicContact CG-CG 4.44Å; L167-K169 PolarHBondContact O-N 2.98Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CG-CD1 4.17Å; L167-L172 HydrophobicContact CD2-CD1 4.24Å; L167-L172 HydrophobicContact CD2-CD2 3.86Å; L167-L172 HydrophobicContact CD2-CG 4.06Å; L167-I188 HydrophobicContact CD2-CD1 3.99Å; L167-I188 HydrophobicContact CD2-CG1 4.07Å; L167-I188 HydrophobicContact CD2-CG2 3.84Å
168S93.3Very high94Very high60 Ų6049 Ų4942%0.4225%0.246SC..  trans-61.1126.3171.81770000109.8E170 L171S168-E170 PolarHBondContact O-N 3.29Å; S168-E170 VanDerWaalsContact O-N 3.14Å; S168-E170 PolarHBondContact OG-N 3.46Å; S168-L171 WeakPolarHBondContact O-CB 3.26Å; S168-L171 PolarHBondContact O-N 3.4Å
169K92.7Very high94Very high133 Ų13349.1 Ų49.158%0.57825%0.246SC*.Hα-helixtrans-59.9-23.1175.4-63.9178.5-177175.60112.2L167 L171 L172 L173 F209L167-K169 PolarHBondContact O-N 2.98Å; K169-L171 PolarHBondContact O-N 2.68Å; K169-L172 PolarHBondContact O-N 2.95Å; K169-L172 VanDerWaalsContact O-N 3.12Å; K169-L173 PolarHBondContact O-N 2.95Å; K169-F209 HydrophobicContact CD-CD1 4.13Å; K169-F209 HydrophobicContact CD-CE1 4.28Å; K169-F209 HydrophobicContact CG-CD1 4.31Å
170E96.3Very high94Very high85 Ų8548.8 Ų48.840%0.39725%0.245SC..Hα-helixtrans-59.1-37.2174.3-65.9-157159.700111.9L144 K148 S168 L172 L173 Y174L144-E170 HydrophobicContact CD1-CB 3.76Å; L144-E170 HydrophobicContact CD2-CB 4.25Å; L144-E170 WeakPolarHBondContact CD2-OE2 3.47Å; K148-E170 IonicContact NZ-OE2 2.8Å; K148-E170 PolarHBondContact NZ-OE2 3.05Å; S168-E170 PolarHBondContact O-N 3.29Å; S168-E170 VanDerWaalsContact O-N 3.14Å; S168-E170 PolarHBondContact OG-N 3.46Å; E170-L172 PolarHBondContact O-N 3.32Å; E170-L173 PolarHBondContact O-N 2.87Å; E170-Y174 HydrophobicContact CB-CD2 4.4Å; E170-Y174 VanDerWaalsContact O-CD2 3.26Å; E170-Y174 WeakPolarHBondContact O-CD2 3.13Å; E170-Y174 PolarHBondContact O-N 3.46Å
171L97.1Very high94.1Very high1 Ų151.3 Ų51.31%0.00526%0.258CS..Hα-helixtrans-58-41177.3-72.7162.4000111P140 V143 L144 L147 F158 L167 S168 K169 S175P140-L171 HydrophobicContact CB-CD1 4.38Å; V143-L171 HydrophobicContact CB-CD2 4.18Å; V143-L171 HydrophobicContact CG1-CD2 3.74Å; L144-L171 HydrophobicContact CB-CD2 3.7Å; L144-L171 HydrophobicContact CB-CG 4.41Å; L144-L171 HydrophobicContact CD1-CD2 4.2Å; L144-L171 HydrophobicContact CD1-CG 4.4Å; L147-L171 HydrophobicContact CD1-CD2 3.86Å; F158-L171 HydrophobicContact CD1-CB 4.46Å; F158-L171 HydrophobicContact CE1-CB 3.86Å; F158-L171 HydrophobicContact CZ-CB 4.22Å; F158-L171 HydrophobicContact CZ-CD1 4.27Å; F158-L171 HydrophobicContact CZ-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CG-CD1 4.17Å; S168-L171 WeakPolarHBondContact O-CB 3.26Å; S168-L171 PolarHBondContact O-N 3.4Å; K169-L171 PolarHBondContact O-N 2.68Å; L171-S175 WeakPolarHBondContact O-CB 3.26Å; L171-S175 PolarHBondContact O-N 2.96Å; L171-S175 PolarHBondContact O-OG 2.84Å
172L96.5Very high94.2Very high2 Ų254 Ų541%0.0127%0.271CS..Hα-helixtrans-71.7-40.4179.4-56.6177.1000111.8F158 L167 K169 E170 Y174 S175 V178 I188 F206 F209F158-L172 HydrophobicContact CD1-CD2 4.28Å; F158-L172 HydrophobicContact CE1-CD2 4.28Å; L167-L172 HydrophobicContact CD2-CD1 4.24Å; L167-L172 HydrophobicContact CD2-CD2 3.86Å; L167-L172 HydrophobicContact CD2-CG 4.06Å; K169-L172 PolarHBondContact O-N 2.95Å; K169-L172 VanDerWaalsContact O-N 3.12Å; E170-L172 PolarHBondContact O-N 3.32Å; L172-Y174 PolarHBondContact O-N 3.4Å; L172-S175 WeakPolarHBondContact O-CB 3.25Å; L172-S175 PolarHBondContact O-N 3.26Å; L172-S175 VanDerWaalsContact O-N 3.14Å; L172-V178 HydrophobicContact CD2-CB 4.48Å; L172-V178 HydrophobicContact CD2-CG2 3.75Å; L172-I188 HydrophobicContact CD1-CG2 4.35Å; L172-F206 HydrophobicContact CD1-CD1 4.23Å; L172-F206 HydrophobicContact CD1-CE1 4.37Å; L172-F206 HydrophobicContact CD2-CD1 4.13Å; L172-F206 HydrophobicContact CD2-CE1 4.12Å; L172-F209 HydrophobicContact CB-CB 4.02Å; L172-F209 HydrophobicContact CD1-CB 3.62Å; L172-F209 HydrophobicContact CD1-CD2 3.32Å; L172-F209 HydrophobicContact CD1-CE2 4.13Å; L172-F209 HydrophobicContact CD1-CG 3.72Å; L172-F209 HydrophobicContact CG-CB 4.49Å
173L96.5Very high94.5Very high87 Ų8757.9 Ų57.946%0.45528%0.281SS..Hα-helixtrans-61.6-40.9176.3-178.365.6000112.5K151 K169 E170 S175K151-L173 PolarHBondContact NZ-O 3.33Å; K169-L173 PolarHBondContact O-N 2.95Å; E170-L173 PolarHBondContact O-N 2.87Å; L173-S175 PolarHBondContact O-N 3.24Å
174Y97.3Very high94.8Very high73 Ų7357.3 Ų57.329%0.28627%0.273SS..THydrogen-bonded Turntrans-822.9177.7-74.2-78.7000113.7L144 K148 K151 T156 E170 L172L144-Y174 HydrophobicContact CD1-CD2 3.96Å; K148-Y174 HydrophobicContact CB-CD1 4.4Å; K148-Y174 HydrophobicContact CB-CE1 4.47Å; K148-Y174 HydrophobicContact CD-CE2 4.25Å; K148-Y174 HydrophobicContact CG-CD1 3.76Å; K148-Y174 HydrophobicContact CG-CD2 3.9Å; K148-Y174 HydrophobicContact CG-CE1 3.74Å; K148-Y174 HydrophobicContact CG-CE2 3.9Å; K148-Y174 HydrophobicContact CG-CG 3.85Å; K151-Y174 HydrophobicContact CB-CD1 4.43Å; K151-Y174 HydrophobicContact CD-CD1 4.21Å; K151-Y174 WeakPolarHBondContact CD-O 3.4Å; K151-Y174 HydrophobicContact CG-CD1 4.44Å; T156-Y174 WeakPolarHBondContact CB-O 3.08Å; T156-Y174 PolarHBondContact OG1-O 3.04Å; E170-Y174 HydrophobicContact CB-CD2 4.4Å; E170-Y174 VanDerWaalsContact O-CD2 3.26Å; E170-Y174 WeakPolarHBondContact O-CD2 3.13Å; E170-Y174 PolarHBondContact O-N 3.46Å; L172-Y174 PolarHBondContact O-N 3.4Å
175S97.5Very high95.3Very high0 Ų055.5 Ų55.50%026%0.262CS..  trans-100.8119.8176-59.90000111T156 F158 L171 L172 L173 T211T156-S175 WeakPolarHBondContact OG1-CA 3.21Å; F158-S175 WeakPolarHBondContact CB-OG 3.24Å; L171-S175 WeakPolarHBondContact O-CB 3.26Å; L171-S175 PolarHBondContact O-N 2.96Å; L171-S175 PolarHBondContact O-OG 2.84Å; L172-S175 WeakPolarHBondContact O-CB 3.25Å; L172-S175 PolarHBondContact O-N 3.26Å; L172-S175 VanDerWaalsContact O-N 3.14Å; L173-S175 PolarHBondContact O-N 3.24Å; S175-T211 WeakPolarHBondContact O-CA 3.34Å; S175-T211 PolarHBondContact O-OG1 3.43Å
176D98.1Very high96Very high16 Ų1649.5 Ų49.59%0.08624%0.235CC..SBendtrans-70.6-38.9170.5-65.8-41.9000110.7K151 V155 T156 T211 K212 T213K151-D176 IonicContact NZ-OD1 2.7Å; K151-D176 PolarHBondContact NZ-OD1 3.4Å; K151-D176 VanDerWaalsContact NZ-OD1 3.14Å; V155-D176 HydrophobicContact CG1-CB 3.94Å; T156-D176 PolarHBondContact N-OD2 3.09Å; T156-D176 VanDerWaalsContact N-OD2 3.17Å; T156-D176 PolarHBondContact O-N 3.36Å; T156-D176 PolarHBondContact OG1-N 3.27Å; T156-D176 PolarHBondContact OG1-OD2 2.92Å; D176-T211 PolarHBondContact O-OG1 3.44Å; D176-K212 HydrophobicContact CB-CD 4.38Å; D176-K212 CarbonylContact O-C 3.38Å; D176-K212 WeakPolarHBondContact O-CB 3.41Å; D176-K212 PolarHBondContact O-N 3.1Å; D176-K212 WeakPolarHBondContact OD1-CD 3.39Å; D176-K212 VanDerWaalsContact OD1-CE 3.26Å; D176-K212 WeakPolarHBondContact OD1-CE 3.35Å; D176-K212 IonicContact OD1-NZ 3.02Å; D176-K212 PolarHBondContact OD1-NZ 3.02Å; D176-T213 PolarHBondContact O-N 3.27Å
177I98.7Very high96.4Very high3 Ų343.4 Ų43.42%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-124123.9174.3-53173.3000108.7V155 T156 I157 F158 T213 V215 L257 M269V155-I177 HydrophobicContact CG1-CD1 4.2Å; V155-I177 HydrophobicContact CG1-CG1 4.43Å; T156-I177 PolarHBondContact O-N 2.88Å; I157-I177 CarbonylContact C-O 3.06Å; I157-I177 WeakPolarHBondContact CA-O 3.44Å; I157-I177 HydrophobicContact CD1-CD1 4.28Å; I157-I177 HydrophobicContact CG1-CB 4.22Å; I157-I177 HydrophobicContact CG1-CD1 4.12Å; I157-I177 HydrophobicContact CG2-CB 4.29Å; I157-I177 HydrophobicContact CG2-CG2 4.37Å; F158-I177 PolarHBondContact N-O 3.02Å; I177-T213 WeakPolarHBondContact CA-O 3.47Å; I177-T213 HydrophobicContact CG2-CG2 4.32Å; I177-V215 HydrophobicContact CG2-CG2 4.14Å; I177-L257 HydrophobicContact CG2-CD2 4.22Å; I177-M269 HydrophobicContact CD1-CE 3.58Å; I177-M269 HydrophobicContact CD1-SD 4.29Å; I177-M269 HydrophobicContact CG1-CE 4.1Å
178V98.6Very high96.6Very high0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-108.2136.116772.30000110F158 P160 L172 F206 T211 T213 A214 V215F158-V178 HydrophobicContact CD1-CG2 4.09Å; F158-V178 WeakPolarHBondContact O-CA 3.48Å; P160-V178 HydrophobicContact CG-CG2 4.19Å; L172-V178 HydrophobicContact CD2-CB 4.48Å; L172-V178 HydrophobicContact CD2-CG2 3.75Å; V178-F206 HydrophobicContact CG1-CB 4.05Å; V178-F206 HydrophobicContact CG1-CD1 3.83Å; V178-F206 HydrophobicContact CG1-CE1 4.49Å; V178-F206 HydrophobicContact CG1-CG 3.97Å; V178-F206 HydrophobicContact CG2-CD1 4.47Å; V178-F206 HydrophobicContact CG2-CE1 4.43Å; V178-T211 HydrophobicContact CG1-CG2 3.67Å; V178-T213 PolarHBondContact N-O 2.87Å; V178-A214 HydrophobicContact CG1-CB 4.17Å; V178-V215 PolarHBondContact O-N 2.97Å
179C98.7Very high96.7Very high1 Ų141.2 Ų41.21%0.00720%0.2CC..  trans-141.481.5-175.5-171.30000112.7F158 N159 V215 L254F158-C179 PolarHBondContact O-N 3.49Å; N159-C179 PolarHBondContact ND2-O 2.86Å; C179-V215 WeakPolarHBondContact CA-O 3.46Å; C179-V215 HydrophobicContact CB-CB 4.15Å; C179-L254 HydrophobicContact CB-CD2 3.84Å
180P97.9Very high96.9Very high1 Ų138.1 Ų38.11%0.00621%0.206CC..  trans-79.7166.916533.3-40.9000113.2P160 E184 A185 F206 V215 I216 T217P160-P180 HydrophobicContact CG-CB 3.81Å; P160-P180 HydrophobicContact CG-CG 4.48Å; P180-E184 WeakPolarHBondContact CA-OE2 3.45Å; P180-E184 HydrophobicContact CB-CB 3.6Å; P180-A185 HydrophobicContact CB-CB 4.23Å; P180-A185 HydrophobicContact CG-CB 3.93Å; P180-F206 HydrophobicContact CG-CE2 3.71Å; P180-F206 HydrophobicContact CG-CZ 3.72Å; P180-V215 WeakPolarHBondContact CD-O 3.39Å; P180-I216 HydrophobicContact CG-CG1 4.25Å; P180-I216 WeakPolarHBondContact O-CA 3.43Å; P180-T217 PolarHBondContact O-N 3.43Å
181N97.2Very high96.9Very high53 Ų5336.4 Ų36.428%0.28320%0.199SC..BIsolated β-bridgetrans-85179155.766.237.4000112.5F183 E184 A185 T217N181-F183 VanDerWaalsContact C-N 3.33Å; N181-F183 PolarHBondContact O-N 3.48Å; N181-F183 PolarHBondContact OD1-N 3.3Å; N181-E184 VanDerWaalsContact CG-CD 3.42Å; N181-E184 PolarHBondContact N-OE2 2.99Å; N181-E184 PolarHBondContact ND2-OE1 2.77Å; N181-E184 PolarHBondContact O-N 2.83Å; N181-E184 WeakPolarHBondContact OD1-CB 3.32Å; N181-E184 WeakPolarHBondContact OD1-CG 3.46Å; N181-E184 PolarHBondContact OD1-N 2.88Å; N181-A185 VanDerWaalsContact O-CB 3.23Å; N181-A185 WeakPolarHBondContact O-CB 3.24Å; N181-A185 PolarHBondContact O-N 2.98Å; N181-T217 WeakPolarHBondContact CA-OG1 3.19Å; N181-T217 WeakPolarHBondContact CB-OG1 3.44Å
182E97.1Very high96.9Very high57 Ų5738.5 Ų38.527%0.26621%0.213SC..Hα-helixtrans-53.4-44.5179.1-70.8166113.900113.4K186 T193 I216 T217 L218E182-K186 PolarHBondContact O-N 3.46Å; E182-T193 WeakPolarHBondContact CB-OG1 3.2Å; E182-T193 PolarHBondContact O-OG1 2.74Å; E182-I216 HydrophobicContact CG-CG2 4.32Å; E182-T217 PolarHBondContact N-O 3.22Å; E182-L218 HydrophobicContact CG-CD2 3.59Å
183F94.4Very high97Very high154 Ų15438.8 Ų38.868%0.67522%0.215SC*.Hα-helixtrans-69.6-45.8-178.2178.8-93.3000111.8N181 A185 K186 A187N181-F183 VanDerWaalsContact C-N 3.33Å; N181-F183 PolarHBondContact O-N 3.48Å; N181-F183 PolarHBondContact OD1-N 3.3Å; F183-A185 VanDerWaalsContact C-N 3.34Å; F183-K186 PolarHBondContact O-N 2.89Å; F183-A187 WeakPolarHBondContact O-CB 2.94Å; F183-A187 PolarHBondContact O-N 2.93Å
184E95.7Very high96.9Very high14 Ų1442.1 Ų42.17%0.06523%0.229CC..Hα-helixtrans-63.6-40.9176.9-69157.2-172.200110.8A161 A163 P180 N181 A187 I188A161-E184 WeakPolarHBondContact CB-OE1 3.39Å; A163-E184 HydrophobicContact CB-CB 4.02Å; A163-E184 HydrophobicContact CB-CG 3.91Å; P180-E184 WeakPolarHBondContact CA-OE2 3.45Å; P180-E184 HydrophobicContact CB-CB 3.6Å; N181-E184 VanDerWaalsContact CG-CD 3.42Å; N181-E184 PolarHBondContact N-OE2 2.99Å; N181-E184 PolarHBondContact ND2-OE1 2.77Å; N181-E184 PolarHBondContact O-N 2.83Å; N181-E184 WeakPolarHBondContact OD1-CB 3.32Å; N181-E184 WeakPolarHBondContact OD1-CG 3.46Å; N181-E184 PolarHBondContact OD1-N 2.88Å; E184-A187 PolarHBondContact O-N 2.89Å; E184-I188 WeakPolarHBondContact O-CB 3.43Å; E184-I188 VanDerWaalsContact O-CD1 3.3Å; E184-I188 WeakPolarHBondContact O-CD1 3.46Å; E184-I188 VanDerWaalsContact O-CG1 3.22Å; E184-I188 WeakPolarHBondContact O-CG1 3.41Å; E184-I188 PolarHBondContact O-N 2.92Å
185A97.3Very high96.9Very high0 Ų041.6 Ų41.60%024%0.236CC..Hα-helixtrans-60.9-46175.600000111.4P180 N181 F183 I188 T189 T193 F206 I216P180-A185 HydrophobicContact CB-CB 4.23Å; P180-A185 HydrophobicContact CG-CB 3.93Å; N181-A185 VanDerWaalsContact O-CB 3.23Å; N181-A185 WeakPolarHBondContact O-CB 3.24Å; N181-A185 PolarHBondContact O-N 2.98Å; F183-A185 VanDerWaalsContact C-N 3.34Å; A185-I188 PolarHBondContact O-N 3.27Å; A185-T189 WeakPolarHBondContact O-CB 3.45Å; A185-T189 WeakPolarHBondContact O-CG2 3.24Å; A185-T189 PolarHBondContact O-N 2.86Å; A185-T189 PolarHBondContact O-OG1 3Å; A185-T193 HydrophobicContact CB-CG2 4.01Å; A185-F206 HydrophobicContact CB-CE2 3.97Å; A185-F206 HydrophobicContact CB-CZ 4.45Å; A185-I216 HydrophobicContact CB-CD1 3.81Å; A185-I216 HydrophobicContact CB-CG1 4.14Å; A185-I216 HydrophobicContact CB-CG2 4.35Å
186K96.6Very high96.9Very high88 Ų8846.9 Ų46.938%0.38326%0.263SS..Hα-helixtrans-62-43.8175.3178.4176.5-178.8172.70112.1E182 F183 I188 G190 I191 E194E182-K186 PolarHBondContact O-N 3.46Å; F183-K186 PolarHBondContact O-N 2.89Å; K186-I188 VanDerWaalsContact C-N 3.31Å; K186-I188 PolarHBondContact O-N 2.96Å; K186-G190 VanDerWaalsContact O-CA 3.26Å; K186-G190 WeakPolarHBondContact O-CA 3.44Å; K186-G190 PolarHBondContact O-N 2.75Å; K186-I191 VanDerWaalsContact CA-O 3.28Å; K186-I191 WeakPolarHBondContact CA-O 3.43Å; K186-I191 WeakPolarHBondContact CB-O 3.24Å; K186-E194 IonicContact NZ-OE1 2.64Å
187A95.1Very high96.8Very high51 Ų5151.7 Ų51.742%0.42129%0.289SS..Hα-helixtrans-61.4-38.8178.900000112.5A163 F183 E184A163-A187 HydrophobicContact CB-CB 3.83Å; F183-A187 WeakPolarHBondContact O-CB 2.94Å; F183-A187 PolarHBondContact O-N 2.93Å; E184-A187 PolarHBondContact O-N 2.89Å
188I95.8Very high96.8Very high27 Ų2751.9 Ų51.914%0.13829%0.291CS..Hα-helixtrans-84.5-41.3-175.7-63.8160000112.2P160 A163 L167 L172 E184 A185 K186 F206P160-I188 HydrophobicContact CB-CD1 3.51Å; P160-I188 HydrophobicContact CG-CD1 3.47Å; P160-I188 VanDerWaalsContact CG-CD1 3.47Å; A163-I188 HydrophobicContact CB-CD1 4.48Å; A163-I188 HydrophobicContact CB-CG1 4.39Å; L167-I188 HydrophobicContact CD2-CD1 3.99Å; L167-I188 HydrophobicContact CD2-CG1 4.07Å; L167-I188 HydrophobicContact CD2-CG2 3.84Å; L172-I188 HydrophobicContact CD1-CG2 4.35Å; E184-I188 WeakPolarHBondContact O-CB 3.43Å; E184-I188 VanDerWaalsContact O-CD1 3.3Å; E184-I188 WeakPolarHBondContact O-CD1 3.46Å; E184-I188 VanDerWaalsContact O-CG1 3.22Å; E184-I188 WeakPolarHBondContact O-CG1 3.41Å; E184-I188 PolarHBondContact O-N 2.92Å; A185-I188 PolarHBondContact O-N 3.27Å; K186-I188 VanDerWaalsContact C-N 3.31Å; K186-I188 PolarHBondContact O-N 2.96Å; I188-F206 HydrophobicContact CB-CE1 4.28Å; I188-F206 HydrophobicContact CB-CZ 4.11Å; I188-F206 HydrophobicContact CD1-CE1 4.38Å; I188-F206 HydrophobicContact CD1-CZ 4.24Å; I188-F206 HydrophobicContact CG2-CE1 3.71Å; I188-F206 HydrophobicContact CG2-CZ 4.04Å
189T95.9Very high96.8Very high19 Ų1952.2 Ų52.212%0.11729%0.293CS..Hα-helixtrans-90-21.5-174.864.10000113.3A185 I191 A202 K205 F206 F209A185-T189 WeakPolarHBondContact O-CB 3.45Å; A185-T189 WeakPolarHBondContact O-CG2 3.24Å; A185-T189 PolarHBondContact O-N 2.86Å; A185-T189 PolarHBondContact O-OG1 3Å; T189-I191 PolarHBondContact O-N 2.72Å; T189-I191 WeakPolarHBondContact OG1-CB 2.96Å; T189-I191 PolarHBondContact OG1-N 3.07Å; T189-I191 VanDerWaalsContact OG1-N 3.16Å; T189-A202 HydrophobicContact CG2-CB 4.32Å; T189-K205 HydrophobicContact CG2-CB 3.99Å; T189-K205 HydrophobicContact CG2-CG 4.09Å; T189-F206 HydrophobicContact CG2-CD2 3.95Å; T189-F206 HydrophobicContact CG2-CE1 4.3Å; T189-F206 HydrophobicContact CG2-CE2 3.56Å; T189-F206 HydrophobicContact CG2-CG 4.45Å; T189-F206 HydrophobicContact CG2-CZ 3.75Å; T189-F209 HydrophobicContact CG2-CE2 4.5Å
190G95.9Very high96.8Very high68 Ų6855.4 Ų55.470%0.70131%0.308SS*.  trans73.85.1-16900000113.9K186K186-G190 VanDerWaalsContact O-CA 3.26Å; K186-G190 WeakPolarHBondContact O-CA 3.44Å; K186-G190 PolarHBondContact O-N 2.75Å
191I97.5Very high96.8Very high49 Ų4958.2 Ų58.225%0.25133%0.328SS..  trans-101.8131.2-175.1-58.8172.6000109.4K186 T189 G198 A202 K205K186-I191 VanDerWaalsContact CA-O 3.28Å; K186-I191 WeakPolarHBondContact CA-O 3.43Å; K186-I191 WeakPolarHBondContact CB-O 3.24Å; T189-I191 PolarHBondContact O-N 2.72Å; T189-I191 WeakPolarHBondContact OG1-CB 2.96Å; T189-I191 PolarHBondContact OG1-N 3.07Å; T189-I191 VanDerWaalsContact OG1-N 3.16Å; I191-G198 WeakPolarHBondContact CG2-O 3.45Å; I191-A202 HydrophobicContact CB-CB 4.42Å; I191-A202 HydrophobicContact CG2-CB 4.48Å; I191-K205 HydrophobicContact CD1-CB 3.97Å; I191-K205 HydrophobicContact CD1-CG 4.27Å
192S97.4Very high96.9Very high45 Ų4555.7 Ų55.732%0.31531%0.314SS..  trans-65.7137.2174.7-168.50000110.7G198S192-G198 CarbonylContact O-C 3.54Å; S192-G198 WeakPolarHBondContact O-CA 3.44Å
193T97Very high97Very high8 Ų853 Ų535%0.04930%0.302CS..  trans-106.914.717945.10000112.4E182 A185 S195 V199 A202 I216E182-T193 WeakPolarHBondContact CB-OG1 3.2Å; E182-T193 PolarHBondContact O-OG1 2.74Å; A185-T193 HydrophobicContact CB-CG2 4.01Å; T193-S195 VanDerWaalsContact C-N 3.29Å; T193-S195 PolarHBondContact O-N 3.13Å; T193-V199 HydrophobicContact CG2-CG2 4.44Å; T193-V199 WeakPolarHBondContact O-CG2 3.32Å; T193-A202 HydrophobicContact CG2-CB 4.07Å; T193-I216 HydrophobicContact CG2-CD1 4.47Å
194E95.6Very high97.2Very high157 Ų15748.2 Ų48.273%0.73428%0.282SS*.SBendtrans-74.9-15.8-179.4-67.8167.3-159.900113.5K186K186-E194 IonicContact NZ-OE1 2.64Å
195S96.7Very high97.2Very high63 Ų6350.7 Ų50.744%0.44129%0.292SS..SBendtrans-122.1160.2176.768.90000111.8T193 G198 V199T193-S195 VanDerWaalsContact C-N 3.29Å; T193-S195 PolarHBondContact O-N 3.13Å; S195-G198 PolarHBondContact O-N 2.92Å; S195-G198 VanDerWaalsContact O-N 3.16Å; S195-G198 PolarHBondContact OG-N 2.95Å; S195-G198 VanDerWaalsContact OG-N 3.15Å; S195-V199 WeakPolarHBondContact O-CG2 3.36Å; S195-V199 PolarHBondContact O-N 2.87Å
196I96.8Very high97.3Very high111 Ų11150.7 Ų50.757%0.56929%0.292SS*.Hα-helixtrans-54.6-54.1173.8-69.2173.3000110G198 V199 E200I196-G198 PolarHBondContact O-N 2.75Å; I196-G198 VanDerWaalsContact O-N 3.13Å; I196-V199 PolarHBondContact O-N 3.11Å; I196-E200 HydrophobicContact CG2-CG 4.41Å; I196-E200 WeakPolarHBondContact O-CG 3.32Å; I196-E200 PolarHBondContact O-N 3.19Å
197D97.8Very high97.3Very high117 Ų11746.8 Ų46.863%0.62628%0.275SS*.Hα-helixtrans-55.2-35.8178.3-59.6-11.9000112.9S201D197-S201 VanDerWaalsContact O-CB 3.25Å; D197-S201 WeakPolarHBondContact O-CB 3.27Å; D197-S201 PolarHBondContact O-N 3.03Å; D197-S201 PolarHBondContact O-OG 3.19Å
198G98.3Very high97.4Very high7 Ų750.6 Ų50.67%0.07228%0.284CS..Hα-helixtrans-67.9-45.5176.800000113.1I191 S192 S195 I196 S201 A202I191-G198 WeakPolarHBondContact CG2-O 3.45Å; S192-G198 CarbonylContact O-C 3.54Å; S192-G198 WeakPolarHBondContact O-CA 3.44Å; S195-G198 PolarHBondContact O-N 2.92Å; S195-G198 VanDerWaalsContact O-N 3.16Å; S195-G198 PolarHBondContact OG-N 2.95Å; S195-G198 VanDerWaalsContact OG-N 3.15Å; I196-G198 PolarHBondContact O-N 2.75Å; I196-G198 VanDerWaalsContact O-N 3.13Å; G198-S201 PolarHBondContact O-N 3.43Å; G198-A202 WeakPolarHBondContact O-CB 3.45Å; G198-A202 PolarHBondContact O-N 3.3Å
199V98.5Very high97.4Very high6 Ų651 Ų514%0.03629%0.285CS..Hα-helixtrans-60.2-45.9173.4172.80000110.7T193 S195 I196 A202 L203 I216 L218 A224 Y235T193-V199 HydrophobicContact CG2-CG2 4.44Å; T193-V199 WeakPolarHBondContact O-CG2 3.32Å; S195-V199 WeakPolarHBondContact O-CG2 3.36Å; S195-V199 PolarHBondContact O-N 2.87Å; I196-V199 PolarHBondContact O-N 3.11Å; V199-A202 PolarHBondContact O-N 3.15Å; V199-L203 HydrophobicContact CG1-CD1 4.27Å; V199-L203 WeakPolarHBondContact O-CG 3.37Å; V199-L203 PolarHBondContact O-N 3.33Å; V199-I216 HydrophobicContact CG1-CD1 4.35Å; V199-L218 HydrophobicContact CG1-CD2 4.29Å; V199-L218 HydrophobicContact CG2-CD2 3.98Å; V199-A224 HydrophobicContact CG1-CB 3.72Å; V199-Y235 HydrophobicContact CG1-CE1 4.35Å
200E98.6Very high97.4Very high69 Ų6951.3 Ų51.332%0.32229%0.292SS..Hα-helixtrans-63.3-44.9179.1-63.1-169.2175.700111.8I196 A202 L203 Q204 V233 Y235I196-E200 HydrophobicContact CG2-CG 4.41Å; I196-E200 WeakPolarHBondContact O-CG 3.32Å; I196-E200 PolarHBondContact O-N 3.19Å; E200-A202 VanDerWaalsContact C-N 3.33Å; E200-A202 PolarHBondContact O-N 3.45Å; E200-L203 WeakPolarHBondContact O-CB 3.28Å; E200-L203 PolarHBondContact O-N 2.96Å; E200-Q204 WeakPolarHBondContact O-CG 3.25Å; E200-Q204 PolarHBondContact O-N 3.22Å; E200-V233 HydrophobicContact CB-CG2 3.9Å; E200-V233 HydrophobicContact CG-CB 3.95Å; E200-V233 HydrophobicContact CG-CG1 4.06Å; E200-V233 HydrophobicContact CG-CG2 3.78Å; E200-Y235 WeakPolarHBondContact CG-OH 3.45Å
201S98.5Very high97.5Very high60 Ų6048 Ų4842%0.4226%0.259SS..Hα-helixtrans-62.2-40176.6-62.50000112D197 G198 Q204 K205D197-S201 VanDerWaalsContact O-CB 3.25Å; D197-S201 WeakPolarHBondContact O-CB 3.27Å; D197-S201 PolarHBondContact O-N 3.03Å; D197-S201 PolarHBondContact O-OG 3.19Å; G198-S201 PolarHBondContact O-N 3.43Å; S201-Q204 PolarHBondContact O-N 3.29Å; S201-K205 WeakPolarHBondContact O-CB 3.38Å; S201-K205 PolarHBondContact O-N 3.18Å
202A98.4Very high97.5Very high0 Ų051.1 Ų51.10%027%0.27CS..Hα-helixtrans-64.4-42175.400000112T189 I191 T193 G198 V199 E200 K205 F206 I216T189-A202 HydrophobicContact CG2-CB 4.32Å; I191-A202 HydrophobicContact CB-CB 4.42Å; I191-A202 HydrophobicContact CG2-CB 4.48Å; T193-A202 HydrophobicContact CG2-CB 4.07Å; G198-A202 WeakPolarHBondContact O-CB 3.45Å; G198-A202 PolarHBondContact O-N 3.3Å; V199-A202 PolarHBondContact O-N 3.15Å; E200-A202 VanDerWaalsContact C-N 3.33Å; E200-A202 PolarHBondContact O-N 3.45Å; A202-K205 WeakPolarHBondContact O-CB 3.39Å; A202-K205 PolarHBondContact O-N 3.15Å; A202-F206 WeakPolarHBondContact O-CD2 3.42Å; A202-F206 PolarHBondContact O-N 3.17Å; A202-I216 HydrophobicContact CB-CD1 3.71Å
203L98.7Very high97.5Very high0 Ų049.6 Ų49.60%026%0.259CS..Hα-helixtrans-60.7-47.2174.5-74.9169.6000111.8V199 E200 K205 F206 L207 A214 I216 A224 A226 V233V199-L203 HydrophobicContact CG1-CD1 4.27Å; V199-L203 WeakPolarHBondContact O-CG 3.37Å; V199-L203 PolarHBondContact O-N 3.33Å; E200-L203 WeakPolarHBondContact O-CB 3.28Å; E200-L203 PolarHBondContact O-N 2.96Å; L203-K205 PolarHBondContact O-N 2.96Å; L203-F206 PolarHBondContact O-N 3.14Å; L203-L207 WeakPolarHBondContact O-CG 3.34Å; L203-L207 PolarHBondContact O-N 3.26Å; L203-L207 VanDerWaalsContact O-N 3.11Å; L203-A214 HydrophobicContact CD2-CB 3.67Å; L203-A214 VanDerWaalsContact CD2-O 3.31Å; L203-A214 WeakPolarHBondContact CD2-O 3.09Å; L203-I216 HydrophobicContact CD2-CB 4.48Å; L203-I216 HydrophobicContact CD2-CD1 4.05Å; L203-I216 HydrophobicContact CD2-CG1 3.77Å; L203-I216 HydrophobicContact CG-CD1 3.89Å; L203-I216 HydrophobicContact CG-CG1 4.16Å; L203-A224 HydrophobicContact CD1-CB 3.81Å; L203-A226 HydrophobicContact CB-CB 4.33Å; L203-V233 HydrophobicContact CD1-CB 4.36Å; L203-V233 HydrophobicContact CD1-CG1 3.47Å; L203-V233 VanDerWaalsContact CD1-CG1 3.47Å; L203-V233 HydrophobicContact CD1-CG2 3.99Å
204Q98.4Very high97.6Very high54 Ų5449.2 Ų49.225%0.25226%0.257SS..Hα-helixtrans-59.1-39174.7-64-50.6-42.700111.3E200 S201 F206 L207 E208 K231E200-Q204 WeakPolarHBondContact O-CG 3.25Å; E200-Q204 PolarHBondContact O-N 3.22Å; S201-Q204 PolarHBondContact O-N 3.29Å; Q204-F206 VanDerWaalsContact C-N 3.35Å; Q204-F206 PolarHBondContact O-N 3.07Å; Q204-L207 WeakPolarHBondContact O-CB 3.41Å; Q204-L207 PolarHBondContact O-N 2.87Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; Q204-E208 WeakPolarHBondContact O-CG 3.07Å; Q204-E208 PolarHBondContact O-N 3.07Å; Q204-K231 PolarHBondContact NE2-O 2.94Å
205K97.6Very high97.8Very high66 Ų6641.8 Ų41.829%0.28722%0.222SC..Hα-helixtrans-63.8-39.3178.8-164.956.7170.5-1760112.9T189 I191 S201 A202 L203 L207 E208 F209T189-K205 HydrophobicContact CG2-CB 3.99Å; T189-K205 HydrophobicContact CG2-CG 4.09Å; I191-K205 HydrophobicContact CD1-CB 3.97Å; I191-K205 HydrophobicContact CD1-CG 4.27Å; S201-K205 WeakPolarHBondContact O-CB 3.38Å; S201-K205 PolarHBondContact O-N 3.18Å; A202-K205 WeakPolarHBondContact O-CB 3.39Å; A202-K205 PolarHBondContact O-N 3.15Å; L203-K205 PolarHBondContact O-N 2.96Å; K205-L207 VanDerWaalsContact C-N 3.35Å; K205-E208 WeakPolarHBondContact CD-OE2 3.25Å; K205-E208 IonicContact NZ-OE2 2.63Å; K205-E208 PolarHBondContact NZ-OE2 3.44Å; K205-E208 WeakPolarHBondContact O-CB 3.23Å; K205-E208 PolarHBondContact O-N 3.39Å; K205-F209 HydrophobicContact CD-CE1 4.37Å; K205-F209 HydrophobicContact CD-CZ 4.15Å; K205-F209 HydrophobicContact CG-CD2 4.45Å; K205-F209 HydrophobicContact CG-CE1 4.43Å; K205-F209 HydrophobicContact CG-CE2 3.79Å; K205-F209 HydrophobicContact CG-CZ 3.78Å; K205-F209 VanDerWaalsContact O-CD2 3.24Å; K205-F209 WeakPolarHBondContact O-CD2 3.3Å; K205-F209 VanDerWaalsContact O-CG 3.32Å; K205-F209 WeakPolarHBondContact O-CG 3.46Å; K205-F209 PolarHBondContact O-N 3.42Å
206F97.9Very high97.9Very high0 Ų038.8 Ų38.80%020%0.201CC..Hα-helixtrans-63.3-40.4172.8-79.8-64.7000112.4L172 V178 P180 A185 I188 T189 A202 L203 Q204 F209 G210 T211 A214L172-F206 HydrophobicContact CD1-CD1 4.23Å; L172-F206 HydrophobicContact CD1-CE1 4.37Å; L172-F206 HydrophobicContact CD2-CD1 4.13Å; L172-F206 HydrophobicContact CD2-CE1 4.12Å; V178-F206 HydrophobicContact CG1-CB 4.05Å; V178-F206 HydrophobicContact CG1-CD1 3.83Å; V178-F206 HydrophobicContact CG1-CE1 4.49Å; V178-F206 HydrophobicContact CG1-CG 3.97Å; V178-F206 HydrophobicContact CG2-CD1 4.47Å; V178-F206 HydrophobicContact CG2-CE1 4.43Å; P180-F206 HydrophobicContact CG-CE2 3.71Å; P180-F206 HydrophobicContact CG-CZ 3.72Å; A185-F206 HydrophobicContact CB-CE2 3.97Å; A185-F206 HydrophobicContact CB-CZ 4.45Å; I188-F206 HydrophobicContact CB-CE1 4.28Å; I188-F206 HydrophobicContact CB-CZ 4.11Å; I188-F206 HydrophobicContact CD1-CE1 4.38Å; I188-F206 HydrophobicContact CD1-CZ 4.24Å; I188-F206 HydrophobicContact CG2-CE1 3.71Å; I188-F206 HydrophobicContact CG2-CZ 4.04Å; T189-F206 HydrophobicContact CG2-CD2 3.95Å; T189-F206 HydrophobicContact CG2-CE1 4.3Å; T189-F206 HydrophobicContact CG2-CE2 3.56Å; T189-F206 HydrophobicContact CG2-CG 4.45Å; T189-F206 HydrophobicContact CG2-CZ 3.75Å; A202-F206 WeakPolarHBondContact O-CD2 3.42Å; A202-F206 PolarHBondContact O-N 3.17Å; L203-F206 PolarHBondContact O-N 3.14Å; Q204-F206 VanDerWaalsContact C-N 3.35Å; Q204-F206 PolarHBondContact O-N 3.07Å; F206-F209 HydrophobicContact CD1-CD2 4.33Å; F206-F209 WeakPolarHBondContact O-CB 3.45Å; F206-F209 PolarHBondContact O-N 2.74Å; F206-G210 PolarHBondContact O-N 3Å; F206-T211 HydrophobicContact CB-CG2 4.15Å; F206-T211 VanDerWaalsContact O-CG2 3.3Å; F206-T211 WeakPolarHBondContact O-CG2 3.44Å; F206-A214 HydrophobicContact CB-CB 3.56Å; F206-A214 HydrophobicContact CG-CB 4.39Å
207L98Very high98Very high5 Ų534.7 Ų34.73%0.02618%0.181CC..Hα-helixtrans-63.4-40.8173.7-63.4-178.5000111.6L203 Q204 K205 F209 G210 T211 A214 A226 Q228 K231L203-L207 WeakPolarHBondContact O-CG 3.34Å; L203-L207 PolarHBondContact O-N 3.26Å; L203-L207 VanDerWaalsContact O-N 3.11Å; Q204-L207 WeakPolarHBondContact O-CB 3.41Å; Q204-L207 PolarHBondContact O-N 2.87Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; K205-L207 VanDerWaalsContact C-N 3.35Å; L207-F209 PolarHBondContact O-N 2.65Å; L207-G210 PolarHBondContact O-N 3.1Å; L207-T211 HydrophobicContact CD2-CG2 4.15Å; L207-A214 HydrophobicContact CD2-CB 4.18Å; L207-A214 HydrophobicContact CG-CB 4.38Å; L207-A226 HydrophobicContact CD1-CB 3.87Å; L207-Q228 HydrophobicContact CD2-CG 4.32Å; L207-Q228 PolarHBondContact O-NE2 2.97Å; L207-K231 HydrophobicContact CD1-CG 4.31Å
208E97Very high97.9Very high132 Ų13229.8 Ų29.862%0.61716%0.155SC*.Hα-helixtrans-60.9-32.1173.4-72.2175.1-167.900112.9Q204 K205 G210Q204-E208 WeakPolarHBondContact O-CG 3.07Å; Q204-E208 PolarHBondContact O-N 3.07Å; K205-E208 WeakPolarHBondContact CD-OE2 3.25Å; K205-E208 IonicContact NZ-OE2 2.63Å; K205-E208 PolarHBondContact NZ-OE2 3.44Å; K205-E208 WeakPolarHBondContact O-CB 3.23Å; K205-E208 PolarHBondContact O-N 3.39Å; E208-G210 PolarHBondContact O-N 3.33Å
209F95.8Very high97.7Very high34 Ų3432.2 Ų32.215%0.14918%0.18CC..THydrogen-bonded Turntrans-72.4-8.9174.3-63.5-36.8000113.9K169 L172 T189 K205 F206 L207K169-F209 HydrophobicContact CD-CD1 4.13Å; K169-F209 HydrophobicContact CD-CE1 4.28Å; K169-F209 HydrophobicContact CG-CD1 4.31Å; L172-F209 HydrophobicContact CB-CB 4.02Å; L172-F209 HydrophobicContact CD1-CB 3.62Å; L172-F209 HydrophobicContact CD1-CD2 3.32Å; L172-F209 HydrophobicContact CD1-CE2 4.13Å; L172-F209 HydrophobicContact CD1-CG 3.72Å; L172-F209 HydrophobicContact CG-CB 4.49Å; T189-F209 HydrophobicContact CG2-CE2 4.5Å; K205-F209 HydrophobicContact CD-CE1 4.37Å; K205-F209 HydrophobicContact CD-CZ 4.15Å; K205-F209 HydrophobicContact CG-CD2 4.45Å; K205-F209 HydrophobicContact CG-CE1 4.43Å; K205-F209 HydrophobicContact CG-CE2 3.79Å; K205-F209 HydrophobicContact CG-CZ 3.78Å; K205-F209 VanDerWaalsContact O-CD2 3.24Å; K205-F209 WeakPolarHBondContact O-CD2 3.3Å; K205-F209 VanDerWaalsContact O-CG 3.32Å; K205-F209 WeakPolarHBondContact O-CG 3.46Å; K205-F209 PolarHBondContact O-N 3.42Å; F206-F209 HydrophobicContact CD1-CD2 4.33Å; F206-F209 WeakPolarHBondContact O-CB 3.45Å; F206-F209 PolarHBondContact O-N 2.74Å; L207-F209 PolarHBondContact O-N 2.65Å
210G96.1Very high97.4Very high26 Ų2640.3 Ų40.327%0.26822%0.218SC..THydrogen-bonded Turntrans106.15.3169.200000115.8F206 L207 E208F206-G210 PolarHBondContact O-N 3Å; L207-G210 PolarHBondContact O-N 3.1Å; E208-G210 PolarHBondContact O-N 3.33Å
211T97.2Very high97.3Very high0 Ų043.2 Ų43.20%023%0.229CC..  trans-70150.6171.4-163.20000110.8S175 D176 V178 F206 L207 T213 A214 Q228S175-T211 WeakPolarHBondContact O-CA 3.34Å; S175-T211 PolarHBondContact O-OG1 3.43Å; D176-T211 PolarHBondContact O-OG1 3.44Å; V178-T211 HydrophobicContact CG1-CG2 3.67Å; F206-T211 HydrophobicContact CB-CG2 4.15Å; F206-T211 VanDerWaalsContact O-CG2 3.3Å; F206-T211 WeakPolarHBondContact O-CG2 3.44Å; L207-T211 HydrophobicContact CD2-CG2 4.15Å; T211-T213 PolarHBondContact OG1-O 3.22Å; T211-A214 HydrophobicContact CG2-CB 4.16Å; T211-Q228 WeakPolarHBondContact O-CG 3.29Å; T211-Q228 PolarHBondContact O-NE2 2.8Å
212K97.2Very high97.2Very high114 Ų11440.6 Ų40.650%0.49621%0.211SC..SBendtrans-80.6-35.6179-63.9-179.7-177150.90112.3D176 T227 Q228D176-K212 HydrophobicContact CB-CD 4.38Å; D176-K212 CarbonylContact O-C 3.38Å; D176-K212 WeakPolarHBondContact O-CB 3.41Å; D176-K212 PolarHBondContact O-N 3.1Å; D176-K212 WeakPolarHBondContact OD1-CD 3.39Å; D176-K212 VanDerWaalsContact OD1-CE 3.26Å; D176-K212 WeakPolarHBondContact OD1-CE 3.35Å; D176-K212 IonicContact OD1-NZ 3.02Å; D176-K212 PolarHBondContact OD1-NZ 3.02Å; K212-T227 CarbonylContact O-C 3.47Å; K212-T227 VanDerWaalsContact O-CA 3.27Å; K212-T227 WeakPolarHBondContact O-CA 3.17Å; K212-Q228 PolarHBondContact O-N 3.45Å
213T98.5Very high97.3Very high13 Ų1340.6 Ų40.68%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-135.4123.2179.5-61.30000109.1D176 I177 V178 T211 V215 A226 T227 M269D176-T213 PolarHBondContact O-N 3.27Å; I177-T213 WeakPolarHBondContact CA-O 3.47Å; I177-T213 HydrophobicContact CG2-CG2 4.32Å; V178-T213 PolarHBondContact N-O 2.87Å; T211-T213 PolarHBondContact OG1-O 3.22Å; T213-V215 HydrophobicContact CG2-CG2 4.01Å; T213-A226 WeakPolarHBondContact CA-O 3.34Å; T213-T227 HydrophobicContact CG2-CG2 4.13Å; T213-M269 HydrophobicContact CG2-CE 4.14Å; T213-M269 HydrophobicContact CG2-CG 4.13Å; T213-M269 HydrophobicContact CG2-SD 4.36Å
214A98.7Very high97.3Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-104132.9171.600000109.1V178 L203 F206 L207 T211 F225 A226V178-A214 HydrophobicContact CG1-CB 4.17Å; L203-A214 HydrophobicContact CD2-CB 3.67Å; L203-A214 VanDerWaalsContact CD2-O 3.31Å; L203-A214 WeakPolarHBondContact CD2-O 3.09Å; F206-A214 HydrophobicContact CB-CB 3.56Å; F206-A214 HydrophobicContact CG-CB 4.39Å; L207-A214 HydrophobicContact CD2-CB 4.18Å; L207-A214 HydrophobicContact CG-CB 4.38Å; T211-A214 HydrophobicContact CG2-CB 4.16Å; A214-F225 CarbonylContact O-C 3.5Å; A214-F225 WeakPolarHBondContact O-CA 3.18Å; A214-F225 VanDerWaalsContact O-CB 3.29Å; A214-F225 WeakPolarHBondContact O-CB 3.39Å; A214-A226 PolarHBondContact N-O 3.25Å; A214-A226 PolarHBondContact O-N 3.41Å
215V98.9Very high97.3Very high0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-128.1133.2175.9-175.60000108.1I177 V178 C179 P180 T213 C223 A224 F225 F253 L273I177-V215 HydrophobicContact CG2-CG2 4.14Å; V178-V215 PolarHBondContact O-N 2.97Å; C179-V215 WeakPolarHBondContact CA-O 3.46Å; C179-V215 HydrophobicContact CB-CB 4.15Å; P180-V215 WeakPolarHBondContact CD-O 3.39Å; T213-V215 HydrophobicContact CG2-CG2 4.01Å; V215-C223 HydrophobicContact CG1-CB 4.11Å; V215-A224 CarbonylContact C-O 3.56Å; V215-A224 WeakPolarHBondContact CA-O 3.35Å; V215-F225 HydrophobicContact CB-CB 4.38Å; V215-F225 HydrophobicContact CG1-CB 4.47Å; V215-F225 HydrophobicContact CG2-CB 3.92Å; V215-F253 HydrophobicContact CG1-CE1 4.31Å; V215-F253 HydrophobicContact CG1-CZ 4.3Å; V215-L273 HydrophobicContact CG1-CD2 3.93Å; V215-L273 HydrophobicContact CG2-CD1 4.25Å; V215-L273 HydrophobicContact CG2-CD2 3.92Å
216I98.8Very high97.3Very high0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-116.6120.5169.1-61.2176.2000107.7P180 E182 A185 T193 V199 A202 L203 L218 C223 A224P180-I216 HydrophobicContact CG-CG1 4.25Å; P180-I216 WeakPolarHBondContact O-CA 3.43Å; E182-I216 HydrophobicContact CG-CG2 4.32Å; A185-I216 HydrophobicContact CB-CD1 3.81Å; A185-I216 HydrophobicContact CB-CG1 4.14Å; A185-I216 HydrophobicContact CB-CG2 4.35Å; T193-I216 HydrophobicContact CG2-CD1 4.47Å; V199-I216 HydrophobicContact CG1-CD1 4.35Å; A202-I216 HydrophobicContact CB-CD1 3.71Å; L203-I216 HydrophobicContact CD2-CB 4.48Å; L203-I216 HydrophobicContact CD2-CD1 4.05Å; L203-I216 HydrophobicContact CD2-CG1 3.77Å; L203-I216 HydrophobicContact CG-CD1 3.89Å; L203-I216 HydrophobicContact CG-CG1 4.16Å; I216-L218 HydrophobicContact CG2-CD2 3.82Å; I216-C223 CarbonylContact O-C 3.48Å; I216-C223 VanDerWaalsContact O-CA 3.25Å; I216-C223 WeakPolarHBondContact O-CA 3.42Å; I216-C223 WeakPolarHBondContact O-CB 3.23Å; I216-A224 PolarHBondContact N-O 3.16Å; I216-A224 PolarHBondContact O-N 3.44Å
217T98.4Very high97.3Very high26 Ų2636.7 Ų36.716%0.1620%0.196CC..EExtended strand (participates in β ladder)trans-77.9132.5171.162.20000110P180 N181 E182 F253P180-T217 PolarHBondContact O-N 3.43Å; N181-T217 WeakPolarHBondContact CA-OG1 3.19Å; N181-T217 WeakPolarHBondContact CB-OG1 3.44Å; E182-T217 PolarHBondContact N-O 3.22Å; T217-F253 HydrophobicContact CG2-CD1 3.9Å; T217-F253 HydrophobicContact CG2-CE1 3.96Å; T217-F253 HydrophobicContact CG2-CG 4.31Å; T217-F253 HydrophobicContact CG2-CZ 4.41Å
218L97.1Very high97.3Very high13 Ų1339.8 Ų39.87%0.06821%0.21CC..  trans-114.830.7-172.8-54.1175000111.8E182 V199 I216 E220 K221 G222 A224 Y235E182-L218 HydrophobicContact CG-CD2 3.59Å; V199-L218 HydrophobicContact CG1-CD2 4.29Å; V199-L218 HydrophobicContact CG2-CD2 3.98Å; I216-L218 HydrophobicContact CG2-CD2 3.82Å; L218-E220 PolarHBondContact O-N 2.8Å; L218-K221 HydrophobicContact CB-CB 3.89Å; L218-K221 WeakPolarHBondContact O-CB 3.49Å; L218-K221 PolarHBondContact O-N 3.39Å; L218-G222 WeakPolarHBondContact CA-O 3.39Å; L218-G222 PolarHBondContact N-O 2.9Å; L218-A224 HydrophobicContact CD1-CB 4.13Å; L218-Y235 HydrophobicContact CD1-CD1 4.17Å; L218-Y235 HydrophobicContact CD1-CE1 4.12Å
219G93Very high97.1Very high58 Ų5841.5 Ų41.560%0.59822%0.224SC*.G310 helixtrans55.8-126.1-178.700000113K221 G222G219-K221 PolarHBondContact O-N 2.84Å; G219-K221 VanDerWaalsContact O-N 3.12Å; G219-G222 PolarHBondContact O-N 3.13Å; G219-G222 VanDerWaalsContact O-N 3.08Å
220E93.2Very high97.1Very high177 Ų17743.6 Ų43.683%0.82724%0.237SC*.G310 helixtrans-63.6-13.1179.264.6176.7-155.500114.4L218L218-E220 PolarHBondContact O-N 2.8Å
221K95.8Very high97Very high129 Ų12947.9 Ų47.956%0.56125%0.248SC*.G310 helixtrans-84.9-12.2176.3-55.8171.4-174.5166.20112.5L218 G219 T237 A238L218-K221 HydrophobicContact CB-CB 3.89Å; L218-K221 WeakPolarHBondContact O-CB 3.49Å; L218-K221 PolarHBondContact O-N 3.39Å; G219-K221 PolarHBondContact O-N 2.84Å; G219-K221 VanDerWaalsContact O-N 3.12Å; K221-T237 WeakPolarHBondContact O-CA 3.45Å; K221-A238 PolarHBondContact O-N 3.05Å
222G97.6Very high96.9Very high5 Ų553.5 Ų53.55%0.05228%0.278CS..EExtended strand (participates in β ladder)trans98.7-125.3-178.900000113L218 G219 I236L218-G222 WeakPolarHBondContact CA-O 3.39Å; L218-G222 PolarHBondContact N-O 2.9Å; G219-G222 PolarHBondContact O-N 3.13Å; G219-G222 VanDerWaalsContact O-N 3.08Å; G222-I236 CarbonylContact C-O 3.56Å; G222-I236 VanDerWaalsContact CA-O 3.32Å; G222-I236 WeakPolarHBondContact CA-O 3.39Å
223C98.6Very high97Very high1 Ų149.4 Ų49.41%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-147.115717870.20000112.7V215 I216 I236 F253V215-C223 HydrophobicContact CG1-CB 4.11Å; I216-C223 CarbonylContact O-C 3.48Å; I216-C223 VanDerWaalsContact O-CA 3.25Å; I216-C223 WeakPolarHBondContact O-CA 3.42Å; I216-C223 WeakPolarHBondContact O-CB 3.23Å; C223-I236 PolarHBondContact N-O 3.26Å; C223-I236 PolarHBondContact O-N 3.35Å; C223-F253 HydrophobicContact CB-CZ 4.29Å
224A98.7Very high97Very high0 Ų050.5 Ų50.50%027%0.27CS..EExtended strand (participates in β ladder)trans-114.9146.9168.100000109.7V199 L203 V215 I216 L218 V233 S234 Y235V199-A224 HydrophobicContact CG1-CB 3.72Å; L203-A224 HydrophobicContact CD1-CB 3.81Å; V215-A224 CarbonylContact C-O 3.56Å; V215-A224 WeakPolarHBondContact CA-O 3.35Å; I216-A224 PolarHBondContact N-O 3.16Å; I216-A224 PolarHBondContact O-N 3.44Å; L218-A224 HydrophobicContact CD1-CB 4.13Å; A224-V233 HydrophobicContact CB-CG1 4.16Å; A224-S234 CarbonylContact C-O 3.49Å; A224-S234 WeakPolarHBondContact CA-O 3.44Å; A224-Y235 HydrophobicContact CB-CD1 3.66Å; A224-Y235 HydrophobicContact CB-CE1 3.53Å; A224-Y235 HydrophobicContact CB-CG 4.31Å
225F98.8Very high97Very high14 Ų1454.7 Ų54.76%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-146.3157.1176.679.1-78.5000113A214 V215 T227 V233 S234 I236 M269 E270 L273A214-F225 CarbonylContact O-C 3.5Å; A214-F225 WeakPolarHBondContact O-CA 3.18Å; A214-F225 VanDerWaalsContact O-CB 3.29Å; A214-F225 WeakPolarHBondContact O-CB 3.39Å; V215-F225 HydrophobicContact CB-CB 4.38Å; V215-F225 HydrophobicContact CG1-CB 4.47Å; V215-F225 HydrophobicContact CG2-CB 3.92Å; F225-T227 HydrophobicContact CD2-CG2 4.25Å; F225-T227 HydrophobicContact CE2-CG2 4.33Å; F225-V233 WeakPolarHBondContact O-CA 3.44Å; F225-S234 PolarHBondContact N-O 3.2Å; F225-S234 PolarHBondContact O-N 2.89Å; F225-I236 HydrophobicContact CD1-CG1 4.45Å; F225-I236 HydrophobicContact CE1-CD1 4.4Å; F225-I236 HydrophobicContact CE1-CG1 4.29Å; F225-M269 HydrophobicContact CD2-CG 4.13Å; F225-M269 HydrophobicContact CE2-CB 4.23Å; F225-M269 HydrophobicContact CE2-CG 4.03Å; F225-E270 HydrophobicContact CE1-CB 4.21Å; F225-E270 HydrophobicContact CE1-CG 4.13Å; F225-E270 HydrophobicContact CZ-CB 3.82Å; F225-E270 HydrophobicContact CZ-CG 4.17Å; F225-L273 HydrophobicContact CB-CD1 3.73Å; F225-L273 HydrophobicContact CD1-CD1 3.34Å; F225-L273 HydrophobicContact CD2-CD1 3.81Å; F225-L273 HydrophobicContact CE1-CD1 3.82Å; F225-L273 HydrophobicContact CE2-CD1 4.26Å; F225-L273 HydrophobicContact CG-CD1 3.33Å; F225-L273 HydrophobicContact CZ-CD1 4.27Å
226A98.6Very high96.9Very high1 Ų155.2 Ų55.21%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-144.9158170.900000109.7L203 L207 T213 A214 V233L203-A226 HydrophobicContact CB-CB 4.33Å; L207-A226 HydrophobicContact CD1-CB 3.87Å; T213-A226 WeakPolarHBondContact CA-O 3.34Å; A214-A226 PolarHBondContact N-O 3.25Å; A214-A226 PolarHBondContact O-N 3.41Å; A226-V233 HydrophobicContact CB-CG2 4.25Å
227T98.2Very high96.8Very high22 Ų2260.9 Ų60.914%0.13532%0.324CS..EExtended strand (participates in β ladder)trans-128.5163.5-178.167.10000111.1K212 T213 F225 D229 N230 K231K212-T227 CarbonylContact O-C 3.47Å; K212-T227 VanDerWaalsContact O-CA 3.27Å; K212-T227 WeakPolarHBondContact O-CA 3.17Å; T213-T227 HydrophobicContact CG2-CG2 4.13Å; F225-T227 HydrophobicContact CD2-CG2 4.25Å; F225-T227 HydrophobicContact CE2-CG2 4.33Å; T227-D229 VanDerWaalsContact C-N 3.3Å; T227-N230 CarbonylContact C-O 3.06Å; T227-N230 PolarHBondContact N-O 2.81Å; T227-N230 CarbonylContact O-C 3.51Å; T227-N230 PolarHBondContact OG1-N 2.87Å; T227-N230 PolarHBondContact OG1-O 2.83Å; T227-K231 WeakPolarHBondContact O-CA 3.17Å; T227-K231 PolarHBondContact O-N 3.01Å
228Q96.2Very high96.6Very high71 Ų7160.4 Ų60.433%0.33232%0.323SS..SBendtrans-64.9-36.3172.1-69.3-67.7-13.700112.2L207 T211 K212L207-Q228 HydrophobicContact CD2-CG 4.32Å; L207-Q228 PolarHBondContact O-NE2 2.97Å; T211-Q228 WeakPolarHBondContact O-CG 3.29Å; T211-Q228 PolarHBondContact O-NE2 2.8Å; K212-Q228 PolarHBondContact O-N 3.45Å
229D94.6Very high96.2Very high167 Ų16766.4 Ų66.489%0.89335%0.35SS*.SBendtrans-73.3-32.5-178.9-59.4-30.4000111.9T227T227-D229 VanDerWaalsContact C-N 3.3Å
230N95Very high96.1Very high79 Ų7975.3 Ų75.342%0.42237%0.366SS..  trans-137.3103.6172.5-177.63.6000109.8T227 N232T227-N230 CarbonylContact C-O 3.06Å; T227-N230 PolarHBondContact N-O 2.81Å; T227-N230 CarbonylContact O-C 3.51Å; T227-N230 PolarHBondContact OG1-N 2.87Å; T227-N230 PolarHBondContact OG1-O 2.83Å; N230-N232 PolarHBondContact O-N 3.44Å; N230-N232 VanDerWaalsContact OD1-CB 3.26Å; N230-N232 WeakPolarHBondContact OD1-CB 3.3Å; N230-N232 PolarHBondContact OD1-N 2.85Å; N230-N232 PolarHBondContact OD1-ND2 3.29Å
231K93.4Very high96Very high115 Ų11569 Ų6950%0.534%0.339SS..  trans-76.5-7-179.7-65-170.2177.6-174.50113.6Q204 L207 T227 V233Q204-K231 PolarHBondContact NE2-O 2.94Å; L207-K231 HydrophobicContact CD1-CG 4.31Å; T227-K231 WeakPolarHBondContact O-CA 3.17Å; T227-K231 PolarHBondContact O-N 3.01Å; K231-V233 PolarHBondContact O-N 2.82Å
232N96.8Very high95.8Very high119 Ų11971.6 Ų71.664%0.63635%0.351SS*.SBendtrans-66.3133.4173.9-64.8-26.1000109.8N230N230-N232 PolarHBondContact O-N 3.44Å; N230-N232 VanDerWaalsContact OD1-CB 3.26Å; N230-N232 WeakPolarHBondContact OD1-CB 3.3Å; N230-N232 PolarHBondContact OD1-N 2.85Å; N230-N232 PolarHBondContact OD1-ND2 3.29Å
233V98.2Very high95.3Very high28 Ų2874.1 Ų74.117%0.1737%0.371CS..  trans-76.9130.8179.2-179.20000109.7E200 L203 A224 F225 A226 K231 Y235E200-V233 HydrophobicContact CB-CG2 3.9Å; E200-V233 HydrophobicContact CG-CB 3.95Å; E200-V233 HydrophobicContact CG-CG1 4.06Å; E200-V233 HydrophobicContact CG-CG2 3.78Å; L203-V233 HydrophobicContact CD1-CB 4.36Å; L203-V233 HydrophobicContact CD1-CG1 3.47Å; L203-V233 VanDerWaalsContact CD1-CG1 3.47Å; L203-V233 HydrophobicContact CD1-CG2 3.99Å; A224-V233 HydrophobicContact CB-CG1 4.16Å; F225-V233 WeakPolarHBondContact O-CA 3.44Å; A226-V233 HydrophobicContact CB-CG2 4.25Å; K231-V233 PolarHBondContact O-N 2.82Å; V233-Y235 HydrophobicContact CB-CE2 4.39Å; V233-Y235 HydrophobicContact CG1-CD2 4.15Å; V233-Y235 HydrophobicContact CG1-CE2 3.6Å
234S98.2Very high94.8Very high35 Ų3578.4 Ų78.425%0.24540%0.397CS..EExtended strand (participates in β ladder)trans-113.5138.3175.4-62.70000109.8A224 F225A224-S234 CarbonylContact C-O 3.49Å; A224-S234 WeakPolarHBondContact CA-O 3.44Å; F225-S234 PolarHBondContact N-O 3.2Å; F225-S234 PolarHBondContact O-N 2.89Å
235Y98.3Very high94Very high88 Ų8880.2 Ų80.235%0.34541%0.407SS..EExtended strand (participates in β ladder)trans-111.1132.3179.6-71.6-95.5000110.5V199 E200 L218 A224 V233V199-Y235 HydrophobicContact CG1-CE1 4.35Å; E200-Y235 WeakPolarHBondContact CG-OH 3.45Å; L218-Y235 HydrophobicContact CD1-CD1 4.17Å; L218-Y235 HydrophobicContact CD1-CE1 4.12Å; A224-Y235 HydrophobicContact CB-CD1 3.66Å; A224-Y235 HydrophobicContact CB-CE1 3.53Å; A224-Y235 HydrophobicContact CB-CG 4.31Å; V233-Y235 HydrophobicContact CB-CE2 4.39Å; V233-Y235 HydrophobicContact CG1-CD2 4.15Å; V233-Y235 HydrophobicContact CG1-CE2 3.6Å
236I98.1Very high93.3Very high11 Ų1184.1 Ų84.16%0.05643%0.432CS..EExtended strand (participates in β ladder)trans-110.1110172.8-57.6-60000107.5G222 C223 F225 E270 L273 R274 C277G222-I236 CarbonylContact C-O 3.56Å; G222-I236 VanDerWaalsContact CA-O 3.32Å; G222-I236 WeakPolarHBondContact CA-O 3.39Å; C223-I236 PolarHBondContact N-O 3.26Å; C223-I236 PolarHBondContact O-N 3.35Å; F225-I236 HydrophobicContact CD1-CG1 4.45Å; F225-I236 HydrophobicContact CE1-CD1 4.4Å; F225-I236 HydrophobicContact CE1-CG1 4.29Å; I236-E270 HydrophobicContact CD1-CG 3.47Å; I236-E270 VanDerWaalsContact CD1-CG 3.47Å; I236-L273 HydrophobicContact CG1-CB 4.27Å; I236-R274 HydrophobicContact CG2-CB 4.16Å; I236-R274 HydrophobicContact CG2-CG 4.3Å; I236-C277 HydrophobicContact CG2-CB 4.1Å
237T96.9Very high92.6Very high120 Ų12087.3 Ų87.374%0.73645%0.451SS*.EExtended strand (participates in β ladder)trans-74.4129.4176.6-51.90000110.5K221K221-T237 WeakPolarHBondContact O-CA 3.45Å
238A93.3Very high92.1Very high15 Ų1586.9 Ų86.912%0.12445%0.451CS..PPolyproline II helixtrans-73.2149.4171.100000111.3K221 R240K221-A238 PolarHBondContact O-N 3.05Å; A238-R240 PolarHBondContact O-N 2.79Å
239Q89.6Confident91.9Very high139 Ų13984.5 Ų84.565%0.6544%0.444SS*.PPolyproline II helixtrans-69.6130.9171.4-171.9171.710.700109.2V241Q239-V241 PolarHBondContact O-N 3.24Å
240R90.2Very high91.9Very high246 Ų24678.2 Ų78.293%0.92842%0.419SS*.PPolyproline II helixtrans-69.5117.6175.9-161.5177.4-170-177.43.4109.1A238A238-R240 PolarHBondContact O-N 2.79Å
241V91.7Very high92Very high44 Ų4475 Ų7527%0.26740%0.401SS..  trans-125.8161.4179.5-65.40000110.2Q239 A243 V284 E285Q239-V241 PolarHBondContact O-N 3.24Å; V241-A243 PolarHBondContact O-N 2.79Å; V241-V284 HydrophobicContact CG2-CG2 3.6Å; V241-E285 HydrophobicContact CB-CG 3.9Å; V241-E285 HydrophobicContact CG1-CG 4.37Å; V241-E285 HydrophobicContact CG2-CG 4.14Å
242K90.6Very high92.2Very high183 Ų18369.5 Ų69.580%0.79638%0.378SS*.  trans-84.799.7171.9-176.4179.5177-177.50108.6V244K242-V244 PolarHBondContact O-N 2.9Å
243A88.1Confident92.2Very high58 Ų5864.1 Ų64.148%0.47935%0.349SS..  trans-64133.1178.400000111.5V241 T246 V284V241-A243 PolarHBondContact O-N 2.79Å; A243-T246 HydrophobicContact CB-CG2 4.07Å; A243-V284 HydrophobicContact CB-CB 4.41Å; A243-V284 HydrophobicContact CB-CG2 4.2Å
244V86.9Confident92.3Very high92 Ų9263 Ų6356%0.55834%0.342SS*.SBendtrans-101.7-47.2171.1174.60000109.6K242 V284 E285 P287K242-V244 PolarHBondContact O-N 2.9Å; V244-V284 PolarHBondContact N-O 2.93Å; V244-E285 WeakPolarHBondContact CG2-O 3.49Å; V244-P287 HydrophobicContact CG1-CB 4.49Å
245D82.5Confident92.3Very high37 Ų3761.3 Ų61.320%0.19833%0.33CS..  trans-151.4119.6177.8-177.2-1.9000109.2T247 V284 G288D245-T247 VanDerWaalsContact C-N 3.29Å; D245-T247 WeakPolarHBondContact OD1-CB 3.27Å; D245-T247 PolarHBondContact OD1-N 3.32Å; D245-T247 PolarHBondContact OD1-OG1 2.92Å; D245-V284 PolarHBondContact N-O 2.98Å; D245-V284 VanDerWaalsContact N-O 3.14Å; D245-V284 VanDerWaalsContact O-CA 3.24Å; D245-V284 WeakPolarHBondContact O-CA 3.36Å; D245-G288 WeakPolarHBondContact OD2-CA 3.26Å; D245-G288 PolarHBondContact OD2-N 2.88Å
246T84.1Confident92.3Very high96 Ų9657.1 Ų57.159%0.58931%0.313SS*.  trans-86.6-1.6-17957.80000113.3A243 G248 A249 V284A243-T246 HydrophobicContact CB-CG2 4.07Å; T246-G248 PolarHBondContact O-N 3.24Å; T246-A249 WeakPolarHBondContact O-CB 3.42Å; T246-A249 PolarHBondContact O-N 2.75Å; T246-V284 HydrophobicContact CG2-CB 4.35Å; T246-V284 HydrophobicContact CG2-CG1 4.22Å
247T83.7Confident92.3Very high68 Ų6856.6 Ų56.642%0.41731%0.311SS..THydrogen-bonded Turntrans-63.9118.7-174.4-51.40000111D245 T289D245-T247 VanDerWaalsContact C-N 3.29Å; D245-T247 WeakPolarHBondContact OD1-CB 3.27Å; D245-T247 PolarHBondContact OD1-N 3.32Å; D245-T247 PolarHBondContact OD1-OG1 2.92Å; T247-T289 WeakPolarHBondContact CG2-OG1 2.98Å
248G87.6Confident92.4Very high13 Ų1351.4 Ų51.413%0.13428%0.28CS..THydrogen-bonded Turntrans867.4178.800000115.4T246 G250 D251 A252 Y293T246-G248 PolarHBondContact O-N 3.24Å; G248-G250 VanDerWaalsContact C-N 3.3Å; G248-G250 PolarHBondContact O-N 3.43Å; G248-D251 PolarHBondContact O-N 2.97Å; G248-D251 VanDerWaalsContact O-N 3.13Å; G248-A252 PolarHBondContact O-N 3.44Å; G248-Y293 PolarHBondContact O-OH 3.36Å
249A92.5Very high92.6Very high21 Ų2150.8 Ų50.817%0.17427%0.274CS..Hα-helixtrans-59.1-40.1175.800000112.7T246 D251 A252 F253 V284T246-A249 WeakPolarHBondContact O-CB 3.42Å; T246-A249 PolarHBondContact O-N 2.75Å; A249-D251 VanDerWaalsContact C-N 3.31Å; A249-D251 PolarHBondContact O-N 2.65Å; A249-A252 WeakPolarHBondContact O-CB 3.19Å; A249-A252 PolarHBondContact O-N 3.25Å; A249-F253 PolarHBondContact O-N 3.32Å; A249-V284 HydrophobicContact CB-CG1 3.52Å
250G95.1Very high93.1Very high36 Ų3644.1 Ų44.137%0.37124%0.243SC..Hα-helixtrans-64.1-36.1175.300000112.8G248 F253 L254G248-G250 VanDerWaalsContact C-N 3.3Å; G248-G250 PolarHBondContact O-N 3.43Å; G250-F253 WeakPolarHBondContact O-CB 3.16Å; G250-F253 PolarHBondContact O-N 3.26Å; G250-L254 PolarHBondContact O-N 3.18Å
251D95.7Very high93.4Very high11 Ų1133.1 Ų33.16%0.05920%0.204CC..Hα-helixtrans-71.7-36.2175.3-65.2-32.2000111.4N42 Q43 G248 A249 F253 L254 G255N42-D251 HydrophobicContact CB-CB 3.52Å; N42-D251 PolarHBondContact ND2-OD2 2.95Å; Q43-D251 HydrophobicContact CG-CB 3.75Å; Q43-D251 WeakPolarHBondContact CG-O 3.43Å; Q43-D251 PolarHBondContact NE2-OD1 3.47Å; G248-D251 PolarHBondContact O-N 2.97Å; G248-D251 VanDerWaalsContact O-N 3.13Å; A249-D251 VanDerWaalsContact C-N 3.31Å; A249-D251 PolarHBondContact O-N 2.65Å; D251-F253 VanDerWaalsContact C-N 3.35Å; D251-L254 PolarHBondContact O-N 2.8Å; D251-G255 PolarHBondContact O-N 2.94Å
252A97.4Very high93.7Very high0 Ų032.6 Ų32.60%020%0.203CC..Hα-helixtrans-62.6-42.917200000111.4M46 G248 A249 S256 A280 Y293M46-A252 HydrophobicContact CG-CB 4.35Å; M46-A252 WeakPolarHBondContact CG-O 3.26Å; M46-A252 HydrophobicContact SD-CB 4.24Å; G248-A252 PolarHBondContact O-N 3.44Å; A249-A252 WeakPolarHBondContact O-CB 3.19Å; A249-A252 PolarHBondContact O-N 3.25Å; A252-S256 VanDerWaalsContact O-CB 3.28Å; A252-S256 WeakPolarHBondContact O-CB 3.24Å; A252-S256 PolarHBondContact O-N 3.43Å; A252-S256 PolarHBondContact O-OG 3.07Å; A252-A280 HydrophobicContact CB-CB 4.48Å; A252-Y293 HydrophobicContact CB-CD1 3.99Å; A252-Y293 HydrophobicContact CB-CE1 3.64Å
253F98.3Very high94Very high6 Ų629 Ų293%0.02619%0.188CC..Hα-helixtrans-58.5-50.5174.8-179.1-90.5000111.2V215 T217 C223 A249 G250 D251 S256 L257 L273 C277 A280V215-F253 HydrophobicContact CG1-CE1 4.31Å; V215-F253 HydrophobicContact CG1-CZ 4.3Å; T217-F253 HydrophobicContact CG2-CD1 3.9Å; T217-F253 HydrophobicContact CG2-CE1 3.96Å; T217-F253 HydrophobicContact CG2-CG 4.31Å; T217-F253 HydrophobicContact CG2-CZ 4.41Å; C223-F253 HydrophobicContact CB-CZ 4.29Å; A249-F253 PolarHBondContact O-N 3.32Å; G250-F253 WeakPolarHBondContact O-CB 3.16Å; G250-F253 PolarHBondContact O-N 3.26Å; D251-F253 VanDerWaalsContact C-N 3.35Å; F253-S256 WeakPolarHBondContact O-CB 3.5Å; F253-S256 PolarHBondContact O-N 2.89Å; F253-L257 HydrophobicContact CE1-CD2 4.28Å; F253-L257 WeakPolarHBondContact O-CB 3.19Å; F253-L257 PolarHBondContact O-N 3.05Å; F253-L273 HydrophobicContact CE1-CD2 4.16Å; F253-L273 HydrophobicContact CZ-CD2 3.59Å; F253-C277 HydrophobicContact CE2-CB 4.31Å; F253-C277 VanDerWaalsContact CE2-SG 3.53Å; F253-A280 HydrophobicContact CB-CB 3.92Å; F253-A280 HydrophobicContact CD2-CB 4.47Å
254L98.6Very high94.4Very high4 Ų427.7 Ų27.72%0.02117%0.171CC..Hα-helixtrans-69.1-40.3-177.3-83159.1000113.6Q43 L133 I157 N159 C179 G250 D251 S256 L257 A258Q43-L254 HydrophobicContact CG-CB 3.94Å; L133-L254 HydrophobicContact CD1-CD2 4.06Å; L133-L254 HydrophobicContact CD2-CB 4.25Å; I157-L254 HydrophobicContact CG2-CD2 3.91Å; N159-L254 HydrophobicContact CB-CD1 3.41Å; N159-L254 VanDerWaalsContact CB-CD1 3.41Å; N159-L254 HydrophobicContact CB-CD2 4.31Å; N159-L254 HydrophobicContact CB-CG 4.5Å; C179-L254 HydrophobicContact CB-CD2 3.84Å; G250-L254 PolarHBondContact O-N 3.18Å; D251-L254 PolarHBondContact O-N 2.8Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.44Å; L254-L257 PolarHBondContact O-N 3.45Å; L254-A258 WeakPolarHBondContact O-CB 3.4Å; L254-A258 PolarHBondContact O-N 2.78Å
255G98.5Very high94.6Very high0 Ų030 Ų300%018%0.18CC..Hα-helixtrans-62.5-38.3173.100000112Q43 A47 D251 F259Q43-G255 VanDerWaalsContact O-CA 3.28Å; Q43-G255 WeakPolarHBondContact O-CA 2.86Å; A47-G255 WeakPolarHBondContact CB-O 3.37Å; D251-G255 PolarHBondContact O-N 2.94Å; G255-F259 WeakPolarHBondContact O-CB 3.5Å; G255-F259 PolarHBondContact O-N 3.22Å
256S98.6Very high95.2Very high0 Ų034.1 Ų34.10%020%0.202CC..Hα-helixtrans-65.7-45.6173.5-580000112.1M46 A252 F253 L254 A258 F259 F260 L279M46-S256 WeakPolarHBondContact CE-OG 3.21Å; A252-S256 VanDerWaalsContact O-CB 3.28Å; A252-S256 WeakPolarHBondContact O-CB 3.24Å; A252-S256 PolarHBondContact O-N 3.43Å; A252-S256 PolarHBondContact O-OG 3.07Å; F253-S256 WeakPolarHBondContact O-CB 3.5Å; F253-S256 PolarHBondContact O-N 2.89Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.44Å; S256-A258 VanDerWaalsContact C-N 3.32Å; S256-A258 PolarHBondContact O-N 3.31Å; S256-F259 WeakPolarHBondContact O-CB 3.35Å; S256-F259 PolarHBondContact O-N 3.35Å; S256-F259 VanDerWaalsContact O-N 3.16Å; S256-F260 WeakPolarHBondContact O-CD2 3.35Å; S256-F260 PolarHBondContact O-N 2.85Å; S256-L279 WeakPolarHBondContact OG-CD1 3.5Å
257L98.8Very high95.8Very high0 Ų030.7 Ų30.70%018%0.18CC..Hα-helixtrans-61.5-42.5178.6179.659.3000111.1I157 I177 F253 L254 F260 T261 M269 R272 L273 S276I157-L257 HydrophobicContact CD1-CG 4.24Å; I177-L257 HydrophobicContact CG2-CD2 4.22Å; F253-L257 HydrophobicContact CE1-CD2 4.28Å; F253-L257 WeakPolarHBondContact O-CB 3.19Å; F253-L257 PolarHBondContact O-N 3.05Å; L254-L257 PolarHBondContact O-N 3.45Å; L257-F260 PolarHBondContact O-N 3.44Å; L257-T261 VanDerWaalsContact O-CB 3.24Å; L257-T261 WeakPolarHBondContact O-CB 3.33Å; L257-T261 PolarHBondContact O-N 3.18Å; L257-T261 PolarHBondContact O-OG1 3.35Å; L257-M269 HydrophobicContact CD1-SD 4.41Å; L257-R272 HydrophobicContact CD1-CB 4.14Å; L257-L273 HydrophobicContact CD1-CD2 3.94Å; L257-L273 HydrophobicContact CD1-CG 4.5Å; L257-L273 HydrophobicContact CD2-CD2 4.07Å; L257-S276 VanDerWaalsContact CA-OG 3.3Å; L257-S276 WeakPolarHBondContact CA-OG 3.4Å; L257-S276 PolarHBondContact N-OG 2.88Å; L257-S276 VanDerWaalsContact N-OG 3.12Å
258A98.6Very high96.4Very high11 Ų1130.8 Ų30.89%0.09118%0.184CC..Hα-helixtrans-62.4-42.7174.700000112V131 L133 I157 L254 S256 T261 A262V131-A258 HydrophobicContact CG1-CB 4.02Å; L133-A258 HydrophobicContact CD2-CB 3.99Å; I157-A258 HydrophobicContact CD1-CB 4.11Å; L254-A258 WeakPolarHBondContact O-CB 3.4Å; L254-A258 PolarHBondContact O-N 2.78Å; S256-A258 VanDerWaalsContact C-N 3.32Å; S256-A258 PolarHBondContact O-N 3.31Å; A258-T261 PolarHBondContact O-N 3.45Å; A258-A262 VanDerWaalsContact O-CB 3.27Å; A258-A262 WeakPolarHBondContact O-CB 3.49Å; A258-A262 PolarHBondContact O-N 3.18Å
259F98.5Very high96.9Very high1 Ų131.9 Ų31.90%0.00419%0.185CC..Hα-helixtrans-59.5-51.6175.1166.4-100.1000112A47 L50 A52 G255 S256 T261 A262 K263 Y264 F304A47-F259 HydrophobicContact CB-CB 4.39Å; L50-F259 HydrophobicContact CB-CB 4.32Å; L50-F259 HydrophobicContact CB-CD1 3.79Å; L50-F259 HydrophobicContact CB-CD2 3.73Å; L50-F259 HydrophobicContact CB-CE1 3.92Å; L50-F259 HydrophobicContact CB-CE2 3.89Å; L50-F259 HydrophobicContact CB-CG 3.67Å; L50-F259 HydrophobicContact CB-CZ 3.95Å; L50-F259 HydrophobicContact CD1-CB 3.89Å; L50-F259 HydrophobicContact CD1-CD1 3.67Å; L50-F259 HydrophobicContact CD1-CE1 4.37Å; L50-F259 HydrophobicContact CD1-CG 3.86Å; L50-F259 HydrophobicContact CG-CD1 4.37Å; L50-F259 HydrophobicContact CG-CG 4.46Å; L50-F259 WeakPolarHBondContact O-CE2 3.38Å; L50-F259 WeakPolarHBondContact O-CZ 3.46Å; A52-F259 HydrophobicContact CB-CD2 4.02Å; G255-F259 WeakPolarHBondContact O-CB 3.5Å; G255-F259 PolarHBondContact O-N 3.22Å; S256-F259 WeakPolarHBondContact O-CB 3.35Å; S256-F259 PolarHBondContact O-N 3.35Å; S256-F259 VanDerWaalsContact O-N 3.16Å; F259-T261 VanDerWaalsContact C-N 3.34Å; F259-T261 PolarHBondContact O-N 3.36Å; F259-A262 PolarHBondContact O-N 3.2Å; F259-K263 HydrophobicContact CD2-CG 4.03Å; F259-K263 HydrophobicContact CE2-CB 4.32Å; F259-K263 HydrophobicContact CE2-CG 3.91Å; F259-K263 WeakPolarHBondContact O-CB 3.29Å; F259-K263 PolarHBondContact O-N 3.12Å; F259-Y264 HydrophobicContact CD1-CE2 4.39Å; F259-Y264 HydrophobicContact CE1-CD2 4.25Å; F259-Y264 AromaticContact CE1-CE2 3.51Å; F259-Y264 HydrophobicContact CE1-CE2 3.51Å; F259-Y264 HydrophobicContact CE2-CE2 4.48Å; F259-Y264 AromaticContact CZ-CE2 3.58Å; F259-Y264 HydrophobicContact CZ-CE2 3.58Å; F259-F304 HydrophobicContact CE1-CD1 4.03Å; F259-F304 AromaticContact CE1-CE1 3.86Å; F259-F304 HydrophobicContact CE1-CE1 3.86Å; F259-F304 HydrophobicContact CZ-CD1 4.17Å; F259-F304 HydrophobicContact CZ-CE1 4.09Å
260F98.5Very high97.1Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-65.7-38-178.9-72.4-63.1000112.4S256 L257 A262 Y264 L267 R272 R275 L279 F303S256-F260 WeakPolarHBondContact O-CD2 3.35Å; S256-F260 PolarHBondContact O-N 2.85Å; L257-F260 PolarHBondContact O-N 3.44Å; F260-A262 VanDerWaalsContact C-N 3.31Å; F260-A262 PolarHBondContact O-N 3.08Å; F260-Y264 AromaticContact CD1-CD2 3.63Å; F260-Y264 HydrophobicContact CD1-CD2 3.63Å; F260-Y264 AromaticContact CD1-CE2 3.99Å; F260-Y264 HydrophobicContact CD1-CE2 3.99Å; F260-Y264 HydrophobicContact CD1-CG 4.23Å; F260-Y264 HydrophobicContact CE1-CD2 4.26Å; F260-Y264 HydrophobicContact CE1-CE2 4.19Å; F260-Y264 WeakPolarHBondContact O-CA 3.32Å; F260-Y264 PolarHBondContact O-N 2.77Å; F260-L267 HydrophobicContact CD1-CD1 4.22Å; F260-R272 HydrophobicContact CB-CB 4.03Å; F260-R272 HydrophobicContact CB-CG 3.92Å; F260-R275 HydrophobicContact CD2-CB 4Å; F260-R275 HydrophobicContact CE1-CB 4.24Å; F260-R275 HydrophobicContact CE2-CB 3.36Å; F260-R275 HydrophobicContact CE2-CG 4.42Å; F260-R275 HydrophobicContact CZ-CB 3.51Å; F260-R275 HydrophobicContact CZ-CG 4.16Å; F260-L279 HydrophobicContact CE2-CD1 3.71Å; F260-L279 HydrophobicContact CZ-CD1 4.05Å; F260-F303 VanDerWaalsContact CE1-O 3.29Å; F260-F303 WeakPolarHBondContact CE1-O 3.35Å
261T98.1Very high97.2Very high15 Ų1535.8 Ų35.89%0.09219%0.19CC..Hα-helixtrans-64.1-36.7175.1-56.70000111.8V131 V155 L257 A258 F259V131-T261 HydrophobicContact CG2-CG2 3.71Å; V155-T261 HydrophobicContact CB-CG2 3.96Å; V155-T261 HydrophobicContact CG1-CG2 3.86Å; V155-T261 HydrophobicContact CG2-CG2 4.01Å; L257-T261 VanDerWaalsContact O-CB 3.24Å; L257-T261 WeakPolarHBondContact O-CB 3.33Å; L257-T261 PolarHBondContact O-N 3.18Å; L257-T261 PolarHBondContact O-OG1 3.35Å; A258-T261 PolarHBondContact O-N 3.45Å; F259-T261 VanDerWaalsContact C-N 3.34Å; F259-T261 PolarHBondContact O-N 3.36Å
262A97.3Very high97.3Very high32 Ų3236.9 Ų36.926%0.26419%0.194SC..Hα-helixtrans-80.7-27.7-179.100000114.3V131 A258 F259 F260V131-A262 HydrophobicContact CB-CB 4.31Å; V131-A262 HydrophobicContact CG2-CB 3.67Å; A258-A262 VanDerWaalsContact O-CB 3.27Å; A258-A262 WeakPolarHBondContact O-CB 3.49Å; A258-A262 PolarHBondContact O-N 3.18Å; F259-A262 PolarHBondContact O-N 3.2Å; F260-A262 VanDerWaalsContact C-N 3.31Å; F260-A262 PolarHBondContact O-N 3.08Å
263K96.9Very high97.4Very high107 Ų10736.9 Ų36.947%0.46519%0.194SC..Hα-helixtrans-115.8-16.8-167.8-66-61.2-174.2-1780115.3F259F259-K263 HydrophobicContact CD2-CG 4.03Å; F259-K263 HydrophobicContact CE2-CB 4.32Å; F259-K263 HydrophobicContact CE2-CG 3.91Å; F259-K263 WeakPolarHBondContact O-CB 3.29Å; F259-K263 PolarHBondContact O-N 3.12Å
264Y96.7Very high97.4Very high31 Ų3141.7 Ų41.712%0.12221%0.212CC..  trans-133.371.6-173.9-61.9-94.5000110.2F259 F260 N266 L267 R272 R296 F304F259-Y264 HydrophobicContact CD1-CE2 4.39Å; F259-Y264 HydrophobicContact CE1-CD2 4.25Å; F259-Y264 AromaticContact CE1-CE2 3.51Å; F259-Y264 HydrophobicContact CE1-CE2 3.51Å; F259-Y264 HydrophobicContact CE2-CE2 4.48Å; F259-Y264 AromaticContact CZ-CE2 3.58Å; F259-Y264 HydrophobicContact CZ-CE2 3.58Å; F260-Y264 AromaticContact CD1-CD2 3.63Å; F260-Y264 HydrophobicContact CD1-CD2 3.63Å; F260-Y264 AromaticContact CD1-CE2 3.99Å; F260-Y264 HydrophobicContact CD1-CE2 3.99Å; F260-Y264 HydrophobicContact CD1-CG 4.23Å; F260-Y264 HydrophobicContact CE1-CD2 4.26Å; F260-Y264 HydrophobicContact CE1-CE2 4.19Å; F260-Y264 WeakPolarHBondContact O-CA 3.32Å; F260-Y264 PolarHBondContact O-N 2.77Å; Y264-N266 PolarHBondContact O-N 2.81Å; Y264-L267 HydrophobicContact CD1-CD1 4.19Å; Y264-L267 HydrophobicContact CG-CD1 3.95Å; Y264-L267 HydrophobicContact CG-CG 4.49Å; Y264-L267 PolarHBondContact O-N 3.02Å; Y264-R272 PolarHBondContact O-NE 3.31Å; Y264-R272 PolarHBondContact O-NH2 2.76Å; Y264-R296 PolarHBondContact OH-NH2 2.72Å; Y264-F304 VanDerWaalsContact CE1-O 3.28Å; Y264-F304 WeakPolarHBondContact CE1-O 3.29Å; Y264-F304 WeakPolarHBondContact OH-CB 3.45Å; Y264-F304 PolarHBondContact OH-O 2.88Å
265D91.3Very high97.3Very high141 Ų14142.4 Ų42.475%0.75421%0.214SC*.THydrogen-bonded Turntrans-60.7-30.2178.358.9-7.3000112.8L267 R272D265-L267 VanDerWaalsContact C-N 3.35Å; D265-L267 PolarHBondContact O-N 2.87Å; D265-R272 PolarHBondContact O-NH2 3.41Å
266N94.9Very high97.3Very high124 Ų12442.4 Ų42.466%0.66321%0.214SC*.THydrogen-bonded Turntrans-73.1-16.7177.170.2-40.8000115.2Y264Y264-N266 PolarHBondContact O-N 2.81Å
267L96.5Very high97.3Very high24 Ų2442.9 Ų42.913%0.12622%0.217CC..SBendtrans-79.7138.7178.1-64-178.7000111.4F260 Y264 D265 E271 R272F260-L267 HydrophobicContact CD1-CD1 4.22Å; Y264-L267 HydrophobicContact CD1-CD1 4.19Å; Y264-L267 HydrophobicContact CG-CD1 3.95Å; Y264-L267 HydrophobicContact CG-CG 4.49Å; Y264-L267 PolarHBondContact O-N 3.02Å; D265-L267 VanDerWaalsContact C-N 3.35Å; D265-L267 PolarHBondContact O-N 2.87Å; L267-E271 HydrophobicContact CB-CB 4.44Å; L267-E271 HydrophobicContact CB-CG 4.34Å; L267-E271 HydrophobicContact CD1-CG 4.25Å; L267-E271 HydrophobicContact CD2-CG 3.82Å; L267-E271 HydrophobicContact CG-CG 4.34Å; L267-R272 HydrophobicContact CB-CG 3.92Å; L267-R272 VanDerWaalsContact O-CZ 3.22Å; L267-R272 PolarHBondContact O-NE 3.15Å; L267-R272 PolarHBondContact O-NH2 3.16Å
268S96.3Very high97.2Very high70 Ų7043.8 Ų43.849%0.4923%0.225SC..  trans-63.7157.717069.40000111.1E270 E271 R272S268-E270 PolarHBondContact O-N 3.01Å; S268-E271 PolarHBondContact O-N 2.86Å; S268-E271 VanDerWaalsContact O-N 3.14Å; S268-E271 WeakPolarHBondContact OG-CB 3.23Å; S268-E271 PolarHBondContact OG-N 2.87Å; S268-R272 WeakPolarHBondContact O-CG 3.44Å; S268-R272 PolarHBondContact O-N 2.93Å
269M97.3Very high97.1Very high35 Ų3543.5 Ų43.517%0.17222%0.222CC..Hα-helixtrans-56.4-42.1175.5-173.457.374.300111.6I177 T213 F225 L257 E271 R272 L273I177-M269 HydrophobicContact CD1-CE 3.58Å; I177-M269 HydrophobicContact CD1-SD 4.29Å; I177-M269 HydrophobicContact CG1-CE 4.1Å; T213-M269 HydrophobicContact CG2-CE 4.14Å; T213-M269 HydrophobicContact CG2-CG 4.13Å; T213-M269 HydrophobicContact CG2-SD 4.36Å; F225-M269 HydrophobicContact CD2-CG 4.13Å; F225-M269 HydrophobicContact CE2-CB 4.23Å; F225-M269 HydrophobicContact CE2-CG 4.03Å; L257-M269 HydrophobicContact CD1-SD 4.41Å; M269-E271 VanDerWaalsContact C-N 3.32Å; M269-E271 PolarHBondContact O-N 3.04Å; M269-R272 PolarHBondContact O-N 3.13Å; M269-L273 HydrophobicContact CG-CD1 3.9Å; M269-L273 HydrophobicContact CG-CG 4.36Å; M269-L273 VanDerWaalsContact O-CG 3.28Å; M269-L273 WeakPolarHBondContact O-CG 3.48Å; M269-L273 PolarHBondContact O-N 3.04Å; M269-L273 HydrophobicContact SD-CD1 4.43Å; M269-L273 HydrophobicContact SD-CG 4.34Å
270E97.4Very high97Very high102 Ų10244 Ų4448%0.47723%0.226SC..Hα-helixtrans-55.3-46.7176.2-167179.8149.400112F225 I236 S268 L273 R274F225-E270 HydrophobicContact CE1-CB 4.21Å; F225-E270 HydrophobicContact CE1-CG 4.13Å; F225-E270 HydrophobicContact CZ-CB 3.82Å; F225-E270 HydrophobicContact CZ-CG 4.17Å; I236-E270 HydrophobicContact CD1-CG 3.47Å; I236-E270 VanDerWaalsContact CD1-CG 3.47Å; S268-E270 PolarHBondContact O-N 3.01Å; E270-L273 PolarHBondContact O-N 3.33Å; E270-R274 WeakPolarHBondContact O-CB 3.48Å; E270-R274 PolarHBondContact O-N 2.75Å
271E97.6Very high96.9Very high37 Ų3744.6 Ų44.617%0.17323%0.231CC..Hα-helixtrans-70.3-36.7-178.7-179.157.1-168.500112.2L267 S268 M269 L273 R274 R275L267-E271 HydrophobicContact CB-CB 4.44Å; L267-E271 HydrophobicContact CB-CG 4.34Å; L267-E271 HydrophobicContact CD1-CG 4.25Å; L267-E271 HydrophobicContact CD2-CG 3.82Å; L267-E271 HydrophobicContact CG-CG 4.34Å; S268-E271 PolarHBondContact O-N 2.86Å; S268-E271 VanDerWaalsContact O-N 3.14Å; S268-E271 WeakPolarHBondContact OG-CB 3.23Å; S268-E271 PolarHBondContact OG-N 2.87Å; M269-E271 VanDerWaalsContact C-N 3.32Å; M269-E271 PolarHBondContact O-N 3.04Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-R274 PolarHBondContact O-N 2.85Å; E271-R274 IonicContact OE1-CZ 3.74Å; E271-R274 IonicContact OE1-NE 2.74Å; E271-R274 IonicContact OE1-NH2 3.5Å; E271-R274 PolarHBondContact OE1-NH2 2.98Å; E271-R274 IonicContact OE2-CZ 3.71Å; E271-R274 VanDerWaalsContact OE2-CZ 3.25Å; E271-R274 IonicContact OE2-NE 3.97Å; E271-R274 PolarHBondContact OE2-NE 3.05Å; E271-R274 IonicContact OE2-NH2 3.36Å; E271-R274 PolarHBondContact OE2-NH2 2.93Å; E271-R275 WeakPolarHBondContact O-CG 3.48Å; E271-R275 PolarHBondContact O-N 3.37Å; E271-R275 IonicContact OE1-CZ 3.85Å; E271-R275 VanDerWaalsContact OE1-CZ 3.25Å; E271-R275 IonicContact OE1-NE 3.72Å; E271-R275 PolarHBondContact OE1-NE 2.93Å; E271-R275 IonicContact OE1-NH2 3.85Å; E271-R275 PolarHBondContact OE1-NH2 3.33Å
272R98.1Very high96.8Very high34 Ų3445.8 Ų45.813%0.12824%0.236CC..Hα-helixtrans-61.2-43.9172.2-62.8178.4-176.1151.58.5111.1L257 F260 Y264 D265 L267 S268 M269 S276L257-R272 HydrophobicContact CD1-CB 4.14Å; F260-R272 HydrophobicContact CB-CB 4.03Å; F260-R272 HydrophobicContact CB-CG 3.92Å; Y264-R272 PolarHBondContact O-NE 3.31Å; Y264-R272 PolarHBondContact O-NH2 2.76Å; D265-R272 PolarHBondContact O-NH2 3.41Å; L267-R272 HydrophobicContact CB-CG 3.92Å; L267-R272 VanDerWaalsContact O-CZ 3.22Å; L267-R272 PolarHBondContact O-NE 3.15Å; L267-R272 PolarHBondContact O-NH2 3.16Å; S268-R272 WeakPolarHBondContact O-CG 3.44Å; S268-R272 PolarHBondContact O-N 2.93Å; M269-R272 PolarHBondContact O-N 3.13Å; R272-S276 WeakPolarHBondContact O-CB 3.38Å; R272-S276 PolarHBondContact O-N 3.37Å; R272-S276 PolarHBondContact O-OG 2.67Å
273L98.3Very high96.6Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-68.6-42.3178.1-67.4168.9000111.8V215 F225 I236 F253 L257 M269 E270 E271 R275 S276 C277V215-L273 HydrophobicContact CG1-CD2 3.93Å; V215-L273 HydrophobicContact CG2-CD1 4.25Å; V215-L273 HydrophobicContact CG2-CD2 3.92Å; F225-L273 HydrophobicContact CB-CD1 3.73Å; F225-L273 HydrophobicContact CD1-CD1 3.34Å; F225-L273 HydrophobicContact CD2-CD1 3.81Å; F225-L273 HydrophobicContact CE1-CD1 3.82Å; F225-L273 HydrophobicContact CE2-CD1 4.26Å; F225-L273 HydrophobicContact CG-CD1 3.33Å; F225-L273 HydrophobicContact CZ-CD1 4.27Å; I236-L273 HydrophobicContact CG1-CB 4.27Å; F253-L273 HydrophobicContact CE1-CD2 4.16Å; F253-L273 HydrophobicContact CZ-CD2 3.59Å; L257-L273 HydrophobicContact CD1-CD2 3.94Å; L257-L273 HydrophobicContact CD1-CG 4.5Å; L257-L273 HydrophobicContact CD2-CD2 4.07Å; M269-L273 HydrophobicContact CG-CD1 3.9Å; M269-L273 HydrophobicContact CG-CG 4.36Å; M269-L273 VanDerWaalsContact O-CG 3.28Å; M269-L273 WeakPolarHBondContact O-CG 3.48Å; M269-L273 PolarHBondContact O-N 3.04Å; M269-L273 HydrophobicContact SD-CD1 4.43Å; M269-L273 HydrophobicContact SD-CG 4.34Å; E270-L273 PolarHBondContact O-N 3.33Å; E271-L273 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 2.81Å; L273-S276 PolarHBondContact O-N 2.9Å; L273-C277 WeakPolarHBondContact O-CB 3.25Å; L273-C277 PolarHBondContact O-N 3.16Å
274R97.9Very high96.4Very high107 Ų10740 Ų4040%0.40421%0.207SC..Hα-helixtrans-57.7-47.8176.6-167.9-174.968.180.70.9112.1I236 E270 E271 C277 A278I236-R274 HydrophobicContact CG2-CB 4.16Å; I236-R274 HydrophobicContact CG2-CG 4.3Å; E270-R274 WeakPolarHBondContact O-CB 3.48Å; E270-R274 PolarHBondContact O-N 2.75Å; E271-R274 PolarHBondContact O-N 2.85Å; E271-R274 IonicContact OE1-CZ 3.74Å; E271-R274 IonicContact OE1-NE 2.74Å; E271-R274 IonicContact OE1-NH2 3.5Å; E271-R274 PolarHBondContact OE1-NH2 2.98Å; E271-R274 IonicContact OE2-CZ 3.71Å; E271-R274 VanDerWaalsContact OE2-CZ 3.25Å; E271-R274 IonicContact OE2-NE 3.97Å; E271-R274 PolarHBondContact OE2-NE 3.05Å; E271-R274 IonicContact OE2-NH2 3.36Å; E271-R274 PolarHBondContact OE2-NH2 2.93Å; R274-C277 PolarHBondContact O-N 2.89Å; R274-A278 PolarHBondContact O-N 3.34Å; R274-A278 VanDerWaalsContact O-N 3.12Å
275R97.9Very high96.2Very high20 Ų2042.2 Ų42.28%0.07522%0.218CC..Hα-helixtrans-65.2-39.7175.9-65.6-179.5-171.7-161.34.2111.9F260 E271 L273 A278 L279 F303F260-R275 HydrophobicContact CD2-CB 4Å; F260-R275 HydrophobicContact CE1-CB 4.24Å; F260-R275 HydrophobicContact CE2-CB 3.36Å; F260-R275 HydrophobicContact CE2-CG 4.42Å; F260-R275 HydrophobicContact CZ-CB 3.51Å; F260-R275 HydrophobicContact CZ-CG 4.16Å; E271-R275 WeakPolarHBondContact O-CG 3.48Å; E271-R275 PolarHBondContact O-N 3.37Å; E271-R275 IonicContact OE1-CZ 3.85Å; E271-R275 VanDerWaalsContact OE1-CZ 3.25Å; E271-R275 IonicContact OE1-NE 3.72Å; E271-R275 PolarHBondContact OE1-NE 2.93Å; E271-R275 IonicContact OE1-NH2 3.85Å; E271-R275 PolarHBondContact OE1-NH2 3.33Å; L273-R275 PolarHBondContact O-N 2.81Å; R275-A278 PolarHBondContact O-N 3Å; R275-L279 WeakPolarHBondContact O-CG 3.22Å; R275-L279 PolarHBondContact O-N 3.3Å; R275-F303 HydrophobicContact CB-CD1 4.21Å; R275-F303 WeakPolarHBondContact CD-O 3.12Å; R275-F303 HydrophobicContact CG-CD1 4.25Å; R275-F303 VanDerWaalsContact NH1-C 3.27Å; R275-F303 PolarHBondContact NH1-O 2.63Å
276S98.2Very high96.2Very high0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-65.3-41.1177.8-56.70000112.6L257 R272 L273 L279 A280L257-S276 VanDerWaalsContact CA-OG 3.3Å; L257-S276 WeakPolarHBondContact CA-OG 3.4Å; L257-S276 PolarHBondContact N-OG 2.88Å; L257-S276 VanDerWaalsContact N-OG 3.12Å; R272-S276 WeakPolarHBondContact O-CB 3.38Å; R272-S276 PolarHBondContact O-N 3.37Å; R272-S276 PolarHBondContact O-OG 2.67Å; L273-S276 PolarHBondContact O-N 2.9Å; S276-L279 PolarHBondContact O-N 2.89Å; S276-A280 WeakPolarHBondContact O-CB 3.06Å; S276-A280 PolarHBondContact O-N 3.46Å
277C97.6Very high95.7Very high9 Ų937.9 Ų37.96%0.06119%0.193CC..Hα-helixtrans-57.7-50.7172.2-93.20000111.1I236 F253 L273 R274 L279 A280 S281I236-C277 HydrophobicContact CG2-CB 4.1Å; F253-C277 HydrophobicContact CE2-CB 4.31Å; F253-C277 VanDerWaalsContact CE2-SG 3.53Å; L273-C277 WeakPolarHBondContact O-CB 3.25Å; L273-C277 PolarHBondContact O-N 3.16Å; R274-C277 PolarHBondContact O-N 2.89Å; C277-L279 PolarHBondContact O-N 3.4Å; C277-A280 PolarHBondContact O-N 3.32Å; C277-S281 PolarHBondContact O-N 3.23Å; C277-S281 PolarHBondContact O-OG 3.33Å
278A97Very high95Very high20 Ų2037.8 Ų37.817%0.16520%0.198CC..Hα-helixtrans-63.6-39.2-179.100000112.6R274 R275 S281 L282 F303R274-A278 PolarHBondContact O-N 3.34Å; R274-A278 VanDerWaalsContact O-N 3.12Å; R275-A278 PolarHBondContact O-N 3Å; A278-S281 WeakPolarHBondContact O-CB 3.47Å; A278-S281 PolarHBondContact O-N 2.82Å; A278-L282 WeakPolarHBondContact O-CG 3.45Å; A278-L282 PolarHBondContact O-N 3.14Å; A278-F303 HydrophobicContact CB-CE1 3.66Å; A278-F303 HydrophobicContact CB-CZ 3.85Å
279L97.1Very high94.5Very high4 Ų435.5 Ų35.52%0.02118%0.181CC..Hα-helixtrans-67-36.2174.8-69.5173.4000112.8M46 L50 S256 F260 R275 S276 C277 L282 S283 L299 F303M46-L279 HydrophobicContact CE-CB 3.8Å; M46-L279 HydrophobicContact CE-CD1 4.24Å; M46-L279 HydrophobicContact CE-CG 4.44Å; L50-L279 HydrophobicContact CD1-CD1 3.73Å; L50-L279 HydrophobicContact CD2-CD1 3.81Å; L50-L279 HydrophobicContact CD2-CD2 4.3Å; L50-L279 HydrophobicContact CG-CD1 4.43Å; S256-L279 WeakPolarHBondContact OG-CD1 3.5Å; F260-L279 HydrophobicContact CE2-CD1 3.71Å; F260-L279 HydrophobicContact CZ-CD1 4.05Å; R275-L279 WeakPolarHBondContact O-CG 3.22Å; R275-L279 PolarHBondContact O-N 3.3Å; S276-L279 PolarHBondContact O-N 2.89Å; C277-L279 PolarHBondContact O-N 3.4Å; L279-L282 HydrophobicContact CD2-CD1 4.36Å; L279-L282 PolarHBondContact O-N 2.77Å; L279-S283 PolarHBondContact O-N 3.43Å; L279-S283 VanDerWaalsContact O-N 3.16Å; L279-L299 HydrophobicContact CD2-CD1 3.55Å; L279-L299 HydrophobicContact CD2-CD2 3.51Å; L279-L299 HydrophobicContact CD2-CG 4.17Å; L279-F303 HydrophobicContact CD2-CD1 4.35Å; L279-F303 HydrophobicContact CD2-CD2 4.47Å; L279-F303 HydrophobicContact CD2-CE1 4.31Å; L279-F303 HydrophobicContact CD2-CE2 4.42Å; L279-F303 HydrophobicContact CD2-CG 4.44Å; L279-F303 HydrophobicContact CD2-CZ 4.34Å; L279-F303 HydrophobicContact CG-CD1 4.33Å; L279-F303 HydrophobicContact CG-CE1 4.23Å
280A96.5Very high94.1Very high12 Ų1234.3 Ų34.310%0.09918%0.175CC..Hα-helixtrans-67-37.5171.600000112A252 F253 S276 C277 L282 S283 V284A252-A280 HydrophobicContact CB-CB 4.48Å; F253-A280 HydrophobicContact CB-CB 3.92Å; F253-A280 HydrophobicContact CD2-CB 4.47Å; S276-A280 WeakPolarHBondContact O-CB 3.06Å; S276-A280 PolarHBondContact O-N 3.46Å; C277-A280 PolarHBondContact O-N 3.32Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 2.88Å; A280-S283 PolarHBondContact O-N 2.61Å; A280-S283 PolarHBondContact O-OG 2.93Å; A280-V284 PolarHBondContact O-N 2.79Å
281S95.6Very high93.8Very high13 Ų1334.4 Ų34.49%0.09118%0.183CC..Hα-helixtrans-60.6-39.4171.9-64.60000111.8C277 A278 S283 V284C277-S281 PolarHBondContact O-N 3.23Å; C277-S281 PolarHBondContact O-OG 3.33Å; A278-S281 WeakPolarHBondContact O-CB 3.47Å; A278-S281 PolarHBondContact O-N 2.82Å; S281-S283 VanDerWaalsContact C-N 3.31Å; S281-S283 PolarHBondContact O-N 2.9Å; S281-V284 WeakPolarHBondContact O-CG2 3.43Å; S281-V284 PolarHBondContact O-N 2.82Å
282L95.7Very high93.6Very high40 Ų4032.7 Ų32.721%0.20918%0.175CC..Hα-helixtrans-68-29176.1-68.3175.8000113.1A278 L279 A280 V284 E285 R286 L294 L299 F303A278-L282 WeakPolarHBondContact O-CG 3.45Å; A278-L282 PolarHBondContact O-N 3.14Å; L279-L282 HydrophobicContact CD2-CD1 4.36Å; L279-L282 PolarHBondContact O-N 2.77Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 2.88Å; L282-V284 VanDerWaalsContact C-N 3.33Å; L282-E285 WeakPolarHBondContact CD2-OE2 3.28Å; L282-R286 PolarHBondContact O-NH1 3.43Å; L282-L294 HydrophobicContact CB-CD1 4.36Å; L282-L294 HydrophobicContact CD1-CD1 4.21Å; L282-L299 HydrophobicContact CD1-CD2 3.51Å; L282-F303 HydrophobicContact CD1-CE2 4.26Å; L282-F303 HydrophobicContact CD1-CZ 4.38Å
283S94.3Very high93.5Very high3 Ų331.2 Ų31.22%0.02117%0.17CC..Hα-helixtrans-69.3-34.2177.1740000111.4L279 A280 S281 E285 R286 S292L279-S283 PolarHBondContact O-N 3.43Å; L279-S283 VanDerWaalsContact O-N 3.16Å; A280-S283 PolarHBondContact O-N 2.61Å; A280-S283 PolarHBondContact O-OG 2.93Å; S281-S283 VanDerWaalsContact C-N 3.31Å; S281-S283 PolarHBondContact O-N 2.9Å; S283-E285 PolarHBondContact O-N 2.83Å; S283-R286 PolarHBondContact O-N 2.81Å; S283-S292 WeakPolarHBondContact O-CB 3.34Å; S283-S292 PolarHBondContact O-OG 3.02Å
284V92.6Very high93.4Very high15 Ų1532 Ų329%0.09117%0.174CC..THydrogen-bonded Turntrans-73.1-12.2-176.5-530000114.5V241 A243 V244 D245 T246 A249 A280 S281 L282 R286V241-V284 HydrophobicContact CG2-CG2 3.6Å; A243-V284 HydrophobicContact CB-CB 4.41Å; A243-V284 HydrophobicContact CB-CG2 4.2Å; V244-V284 PolarHBondContact N-O 2.93Å; D245-V284 PolarHBondContact N-O 2.98Å; D245-V284 VanDerWaalsContact N-O 3.14Å; D245-V284 VanDerWaalsContact O-CA 3.24Å; D245-V284 WeakPolarHBondContact O-CA 3.36Å; T246-V284 HydrophobicContact CG2-CB 4.35Å; T246-V284 HydrophobicContact CG2-CG1 4.22Å; A249-V284 HydrophobicContact CB-CG1 3.52Å; A280-V284 PolarHBondContact O-N 2.79Å; S281-V284 WeakPolarHBondContact O-CG2 3.43Å; S281-V284 PolarHBondContact O-N 2.82Å; L282-V284 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 2.86Å
285E93.4Very high93.3Very high77 Ų7730 Ų3036%0.3617%0.169SC..THydrogen-bonded Turntrans-81.5-0.2177.4-62.2-175.710800113.1V241 V244 L282 S283V241-E285 HydrophobicContact CB-CG 3.9Å; V241-E285 HydrophobicContact CG1-CG 4.37Å; V241-E285 HydrophobicContact CG2-CG 4.14Å; V244-E285 WeakPolarHBondContact CG2-O 3.49Å; L282-E285 WeakPolarHBondContact CD2-OE2 3.28Å; S283-E285 PolarHBondContact O-N 2.83Å
286R90.8Very high93.3Very high85 Ų8533.4 Ų33.432%0.32118%0.182SC..SBendtrans-129.6149.7-179.7-64.5179.9-171.373.614.1111.1L282 S283 V284L282-R286 PolarHBondContact O-NH1 3.43Å; S283-R286 PolarHBondContact O-N 2.81Å; V284-R286 PolarHBondContact O-N 2.86Å
287P84Confident93.1Very high89 Ų8940.9 Ų40.958%0.57822%0.216SC*.SBendtrans-71.7146.7176.830.2-34.9000112.6V244 T291V244-P287 HydrophobicContact CG1-CB 4.49Å; P287-T291 PolarHBondContact O-OG1 2.82Å; P287-T291 VanDerWaalsContact O-OG1 3.05Å
288G80.7Confident93.1Very high21 Ų2145.1 Ų45.122%0.21624%0.235CC..SBendtrans83.2168.5173.400000114D245 T291 S292D245-G288 WeakPolarHBondContact OD2-CA 3.26Å; D245-G288 PolarHBondContact OD2-N 2.88Å; G288-T291 WeakPolarHBondContact CA-OG1 3.38Å; G288-S292 WeakPolarHBondContact O-CB 3.38Å; G288-S292 PolarHBondContact O-OG 2.93Å
289T86.6Confident93.1Very high23 Ų2344.7 Ų44.714%0.14123%0.23CC..SBendtrans-81.1-91.1-174.6-55.30000111.5N42 T247 T291 S292 Y293N42-T289 HydrophobicContact CB-CG2 4.45Å; N42-T289 VanDerWaalsContact CG-CG2 3.45Å; N42-T289 WeakPolarHBondContact ND2-CG2 3.17Å; N42-T289 WeakPolarHBondContact OD1-CG2 3.41Å; T247-T289 WeakPolarHBondContact CG2-OG1 2.98Å; T289-T291 PolarHBondContact O-N 2.99Å; T289-T291 VanDerWaalsContact O-N 3.1Å; T289-S292 PolarHBondContact O-N 3.39Å; T289-S292 PolarHBondContact O-OG 3.2Å; T289-Y293 WeakPolarHBondContact O-CD1 3.37Å; T289-Y293 VanDerWaalsContact O-CE1 3.27Å; T289-Y293 WeakPolarHBondContact O-CE1 3.14Å
290M90.1Very high92.9Very high10 Ų1047.5 Ų47.55%0.04925%0.249CC..G310 helixtrans-61.2-26.6-179.5-64.5-175.7-17200113.3F36 G37 A41 N42 V45 R49 S292 Y293F36-M290 HydrophobicContact CB-CE 4.09Å; F36-M290 HydrophobicContact CB-SD 3.88Å; G37-M290 WeakPolarHBondContact O-CE 3.38Å; A41-M290 HydrophobicContact CB-CE 3.54Å; N42-M290 WeakPolarHBondContact OD1-CE 3.43Å; N42-M290 VanDerWaalsContact OD1-CG 3.24Å; N42-M290 WeakPolarHBondContact OD1-CG 3.41Å; V45-M290 HydrophobicContact CB-SD 4.4Å; V45-M290 HydrophobicContact CG1-CB 4.43Å; V45-M290 HydrophobicContact CG2-CE 4.37Å; V45-M290 HydrophobicContact CG2-SD 3.81Å; R49-M290 PolarHBondContact NH1-O 2.91Å; R49-M290 PolarHBondContact NH2-O 3.03Å; M290-S292 VanDerWaalsContact C-N 3.25Å; M290-S292 PolarHBondContact O-N 2.86Å; M290-Y293 HydrophobicContact CG-CE2 4.38Å; M290-Y293 PolarHBondContact O-N 2.88Å
291T90.7Very high92.7Very high104 Ų10453.4 Ų53.464%0.63827%0.274SS*.G310 helixtrans-69-21.6179.250.30000113.1P287 G288 T289P287-T291 PolarHBondContact O-OG1 2.82Å; P287-T291 VanDerWaalsContact O-OG1 3.05Å; G288-T291 WeakPolarHBondContact CA-OG1 3.38Å; T289-T291 PolarHBondContact O-N 2.99Å; T289-T291 VanDerWaalsContact O-N 3.1Å
292S91.8Very high92.6Very high1 Ų157.9 Ų57.91%0.00729%0.293CS..G310 helixtrans-85.6-12.4179.564.30000114.3S283 G288 T289 M290 L294S283-S292 WeakPolarHBondContact O-CB 3.34Å; S283-S292 PolarHBondContact O-OG 3.02Å; G288-S292 WeakPolarHBondContact O-CB 3.38Å; G288-S292 PolarHBondContact O-OG 2.93Å; T289-S292 PolarHBondContact O-N 3.39Å; T289-S292 PolarHBondContact O-OG 3.2Å; M290-S292 VanDerWaalsContact C-N 3.25Å; M290-S292 PolarHBondContact O-N 2.86Å; S292-L294 PolarHBondContact O-N 3.5Å
293Y96.2Very high92.4Very high3 Ų356.6 Ų56.61%0.01229%0.286CS..PPolyproline II helixtrans-77.3117.6-174.4-60.1-11.3000111.1N42 V45 M46 R49 G248 A252 T289 M290N42-Y293 HydrophobicContact CB-CE2 4.12Å; N42-Y293 WeakPolarHBondContact O-CE2 3.37Å; V45-Y293 HydrophobicContact CG1-CD2 4.23Å; M46-Y293 HydrophobicContact CB-CD2 3.86Å; M46-Y293 HydrophobicContact CB-CE2 4.18Å; M46-Y293 HydrophobicContact CB-CG 4.37Å; M46-Y293 HydrophobicContact SD-CD1 4.23Å; M46-Y293 HydrophobicContact SD-CD2 4.23Å; M46-Y293 HydrophobicContact SD-CG 3.78Å; R49-Y293 WeakPolarHBondContact CD-O 3.43Å; R49-Y293 PolarHBondContact NH1-O 3.47Å; G248-Y293 PolarHBondContact O-OH 3.36Å; A252-Y293 HydrophobicContact CB-CD1 3.99Å; A252-Y293 HydrophobicContact CB-CE1 3.64Å; T289-Y293 WeakPolarHBondContact O-CD1 3.37Å; T289-Y293 VanDerWaalsContact O-CE1 3.27Å; T289-Y293 WeakPolarHBondContact O-CE1 3.14Å; M290-Y293 HydrophobicContact CG-CE2 4.38Å; M290-Y293 PolarHBondContact O-N 2.88Å
294L96.1Very high92.4Very high16 Ų1657.1 Ų57.18%0.08429%0.288CS..PPolyproline II helixtrans-73.1144.8-178.4-72.2176.2000113R49 L282 S292 E298 L299R49-L294 WeakPolarHBondContact CB-O 3.29Å; L282-L294 HydrophobicContact CB-CD1 4.36Å; L282-L294 HydrophobicContact CD1-CD1 4.21Å; S292-L294 PolarHBondContact O-N 3.5Å; L294-E298 HydrophobicContact CB-CB 4.39Å; L294-E298 HydrophobicContact CD2-CB 3.98Å; L294-L299 HydrophobicContact CB-CD1 4.27Å; L294-L299 HydrophobicContact CB-CD2 3.91Å; L294-L299 HydrophobicContact CB-CG 3.91Å; L294-L299 HydrophobicContact CD1-CD2 3.55Å; L294-L299 HydrophobicContact CD1-CG 4.27Å; L294-L299 HydrophobicContact CG-CD2 4.41Å
295H96.8Very high91.9Very high66 Ų6661.8 Ų61.831%0.30634%0.339SS..PPolyproline II helixtrans-73.7152.4165.9-66.2-93.3000111H297 E298H295-H297 WeakPolarHBondContact CB-CE1 3.12Å; H295-H297 WeakPolarHBondContact CB-ND1 3.38Å; H295-H297 AromaticContact CG-CE1 3.86Å; H295-H297 PolarHBondContact O-N 3.41Å; H295-H297 VanDerWaalsContact O-N 3.08Å; H295-E298 HydrophobicContact CB-CG 4.33Å; H295-E298 WeakPolarHBondContact CB-OE2 3.44Å; H295-E298 IonicContact CD2-OE2 3.62Å; H295-E298 PolarHBondContact CD2-OE2 2.75Å; H295-E298 IonicContact CG-OE2 3.61Å; H295-E298 PolarHBondContact N-OE2 2.97Å; H295-E298 WeakPolarHBondContact O-CB 3.13Å; H295-E298 PolarHBondContact O-N 3.32Å
296R96.9Very high91.8Very high91 Ų9161 Ų6134%0.34334%0.338SS..G310 helixtrans-49.2-38.7178.3-177.2177.9-176136.3-3.9113.5R49 L50 Y264 E298 L299 F304R49-R296 PolarHBondContact O-N 3.35Å; L50-R296 WeakPolarHBondContact O-CD 3.47Å; Y264-R296 PolarHBondContact OH-NH2 2.72Å; R296-E298 PolarHBondContact O-N 2.89Å; R296-L299 PolarHBondContact O-N 2.82Å; R296-F304 HydrophobicContact CB-CZ 4.34Å; R296-F304 HydrophobicContact CG-CD2 4.22Å; R296-F304 HydrophobicContact CG-CE1 4.19Å; R296-F304 HydrophobicContact CG-CE2 3.69Å; R296-F304 HydrophobicContact CG-CZ 3.68Å
297H95.8Very high91.9Very high156 Ų15659.7 Ų59.772%0.72234%0.338SS*.G310 helixtrans-72.6-16.3-178.168.1-93.6000113.5H295H295-H297 WeakPolarHBondContact CB-CE1 3.12Å; H295-H297 WeakPolarHBondContact CB-ND1 3.38Å; H295-H297 AromaticContact CG-CE1 3.86Å; H295-H297 PolarHBondContact O-N 3.41Å; H295-H297 VanDerWaalsContact O-N 3.08Å
298E96.4Very high92.3Very high99 Ų9958.1 Ų58.146%0.46333%0.325SS..G310 helixtrans-91.7-6.6175.9-54.5175.59400111.8L294 H295 R296L294-E298 HydrophobicContact CB-CB 4.39Å; L294-E298 HydrophobicContact CD2-CB 3.98Å; H295-E298 HydrophobicContact CB-CG 4.33Å; H295-E298 WeakPolarHBondContact CB-OE2 3.44Å; H295-E298 IonicContact CD2-OE2 3.62Å; H295-E298 PolarHBondContact CD2-OE2 2.75Å; H295-E298 IonicContact CG-OE2 3.61Å; H295-E298 PolarHBondContact N-OE2 2.97Å; H295-E298 WeakPolarHBondContact O-CB 3.13Å; H295-E298 PolarHBondContact O-N 3.32Å; R296-E298 PolarHBondContact O-N 2.89Å
299L96.3Very high93Very high10 Ų1060.3 Ų60.35%0.05233%0.332CS..SBendtrans-101143.5-175.2-70.7166.8000111.5L50 L279 L282 L294 R296 F303 F304L50-L299 HydrophobicContact CD2-CD1 3.4Å; L279-L299 HydrophobicContact CD2-CD1 3.55Å; L279-L299 HydrophobicContact CD2-CD2 3.51Å; L279-L299 HydrophobicContact CD2-CG 4.17Å; L282-L299 HydrophobicContact CD1-CD2 3.51Å; L294-L299 HydrophobicContact CB-CD1 4.27Å; L294-L299 HydrophobicContact CB-CD2 3.91Å; L294-L299 HydrophobicContact CB-CG 3.91Å; L294-L299 HydrophobicContact CD1-CD2 3.55Å; L294-L299 HydrophobicContact CD1-CG 4.27Å; L294-L299 HydrophobicContact CG-CD2 4.41Å; R296-L299 PolarHBondContact O-N 2.82Å; L299-F303 HydrophobicContact CB-CD2 4.44Å; L299-F304 HydrophobicContact CB-CE2 3.86Å; L299-F304 HydrophobicContact CB-CZ 4.1Å; L299-F304 HydrophobicContact CD1-CZ 3.92Å
300P93.9Very high93.4Very high64 Ų6462.6 Ų62.642%0.41634%0.343SS..  trans-54.8140.3172.9-27.334.6000113.3H302 F303P300-H302 VanDerWaalsContact CB-CE1 3.47Å; P300-H302 WeakPolarHBondContact CB-CE1 3.17Å; P300-H302 VanDerWaalsContact CB-ND1 3.3Å; P300-H302 WeakPolarHBondContact CB-ND1 3.32Å; P300-H302 PolarHBondContact O-N 3.23Å; P300-H302 VanDerWaalsContact O-N 3.16Å; P300-F303 HydrophobicContact CB-CD2 4.16Å; P300-F303 HydrophobicContact CB-CE2 4.37Å; P300-F303 HydrophobicContact CG-CD2 4.33Å; P300-F303 HydrophobicContact CG-CE2 4.15Å; P300-F303 WeakPolarHBondContact O-CD2 3.37Å; P300-F303 PolarHBondContact O-N 2.67Å
301Q92.6Very high93.6Very high136 Ų13666.1 Ų66.164%0.63636%0.363SS*.G310 helixtrans-60.7-28.5-177.5-71.7-63.8-17.900114.1F303 F304Q301-F303 PolarHBondContact O-N 3.12Å; Q301-F304 PolarHBondContact O-N 3.04Å
302H92.1Very high93.9Very high107 Ų10763.4 Ų63.450%0.49534%0.343SS..G310 helixtrans-61.2-16.2-179.476.4-98.2000113.6P300 F304P300-H302 VanDerWaalsContact CB-CE1 3.47Å; P300-H302 WeakPolarHBondContact CB-CE1 3.17Å; P300-H302 VanDerWaalsContact CB-ND1 3.3Å; P300-H302 WeakPolarHBondContact CB-ND1 3.32Å; P300-H302 PolarHBondContact O-N 3.23Å; P300-H302 VanDerWaalsContact O-N 3.16Å; H302-F304 PolarHBondContact O-N 3.29Å
303F91.7Very high94Very high13 Ų1368.2 Ų68.26%0.05737%0.369CS..G310 helixtrans-69-15.8170.7-78-67.2000113.5F260 R275 A278 L279 L282 L299 P300 Q301F260-F303 VanDerWaalsContact CE1-O 3.29Å; F260-F303 WeakPolarHBondContact CE1-O 3.35Å; R275-F303 HydrophobicContact CB-CD1 4.21Å; R275-F303 WeakPolarHBondContact CD-O 3.12Å; R275-F303 HydrophobicContact CG-CD1 4.25Å; R275-F303 VanDerWaalsContact NH1-C 3.27Å; R275-F303 PolarHBondContact NH1-O 2.63Å; A278-F303 HydrophobicContact CB-CE1 3.66Å; A278-F303 HydrophobicContact CB-CZ 3.85Å; L279-F303 HydrophobicContact CD2-CD1 4.35Å; L279-F303 HydrophobicContact CD2-CD2 4.47Å; L279-F303 HydrophobicContact CD2-CE1 4.31Å; L279-F303 HydrophobicContact CD2-CE2 4.42Å; L279-F303 HydrophobicContact CD2-CG 4.44Å; L279-F303 HydrophobicContact CD2-CZ 4.34Å; L279-F303 HydrophobicContact CG-CD1 4.33Å; L279-F303 HydrophobicContact CG-CE1 4.23Å; L282-F303 HydrophobicContact CD1-CE2 4.26Å; L282-F303 HydrophobicContact CD1-CZ 4.38Å; L299-F303 HydrophobicContact CB-CD2 4.44Å; P300-F303 HydrophobicContact CB-CD2 4.16Å; P300-F303 HydrophobicContact CB-CE2 4.37Å; P300-F303 HydrophobicContact CG-CD2 4.33Å; P300-F303 HydrophobicContact CG-CE2 4.15Å; P300-F303 WeakPolarHBondContact O-CD2 3.37Å; P300-F303 PolarHBondContact O-N 2.67Å; Q301-F303 PolarHBondContact O-N 3.12Å
304F94.1Very high93.8Very high14 Ų1473.7 Ų73.76%0.06140%0.399CS..  trans-126.33.7-166-53.5-65.1000115.1L50 F259 Y264 R296 L299 Q301 H302L50-F304 HydrophobicContact CD2-CE1 4.36Å; L50-F304 HydrophobicContact CD2-CZ 4.25Å; F259-F304 HydrophobicContact CE1-CD1 4.03Å; F259-F304 AromaticContact CE1-CE1 3.86Å; F259-F304 HydrophobicContact CE1-CE1 3.86Å; F259-F304 HydrophobicContact CZ-CD1 4.17Å; F259-F304 HydrophobicContact CZ-CE1 4.09Å; Y264-F304 VanDerWaalsContact CE1-O 3.28Å; Y264-F304 WeakPolarHBondContact CE1-O 3.29Å; Y264-F304 WeakPolarHBondContact OH-CB 3.45Å; Y264-F304 PolarHBondContact OH-O 2.88Å; R296-F304 HydrophobicContact CB-CZ 4.34Å; R296-F304 HydrophobicContact CG-CD2 4.22Å; R296-F304 HydrophobicContact CG-CE1 4.19Å; R296-F304 HydrophobicContact CG-CE2 3.69Å; R296-F304 HydrophobicContact CG-CZ 3.68Å; L299-F304 HydrophobicContact CB-CE2 3.86Å; L299-F304 HydrophobicContact CB-CZ 4.1Å; L299-F304 HydrophobicContact CD1-CZ 3.92Å; Q301-F304 PolarHBondContact O-N 3.04Å; H302-F304 PolarHBondContact O-N 3.29Å
305G83.3Confident93.6Very high112 Ų11278.9 Ų78.9100%1.15543%0.428SS*.  trans127.30-176.700000110.6

Retrieved 305 of 305 residues in 816.6 ms (Link to these results)

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