A0A096LPY9_POEFO Loading...

Ras homolog family member Q

AlphaFold DB , UniProt , Accession A0A096LPY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 128 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
1M77.4Confident95.5Very high219 Ų21958.7 Ų58.7100%1.07932%0.315SS*.  0127.30179.6166.7167.100106.2
2T92.7Very high95.8Very high71 Ų7155.4 Ų55.444%0.43630%0.299SS..  trans-111.3128.5178.5-56.70000107.7V4 F5 V35T2-V4 WeakPolarHBondContact CG2-O 3.45Å; T2-F5 HydrophobicContact CG2-CD1 4.29Å; T2-F5 HydrophobicContact CG2-CD2 3.97Å; T2-F5 HydrophobicContact CG2-CE1 3.97Å; T2-F5 HydrophobicContact CG2-CE2 3.62Å; T2-F5 HydrophobicContact CG2-CG 4.31Å; T2-F5 HydrophobicContact CG2-CZ 3.63Å; T2-V35 WeakPolarHBondContact O-CG1 3.39Å
3D94.2Very high96Very high93 Ų9357 Ų5750%0.49731%0.307SS..SBendtrans-91.7-29.9-175.1-58.8-58.2000112.8P36 I103D3-P36 WeakPolarHBondContact O-CD 3.48Å; D3-P36 WeakPolarHBondContact O-CG 3.44Å; D3-I103 HydrophobicContact CB-CG2 3.91Å; D3-I103 WeakPolarHBondContact O-CG2 3.33Å
4V96.5Very high96.1Very high36 Ų3654 Ų5422%0.21829%0.292CS..  trans-153.9145.9178.561.80000110.5T2 P36 L38 A99 A102 I103T2-V4 WeakPolarHBondContact CG2-O 3.45Å; V4-P36 WeakPolarHBondContact CA-O 3.21Å; V4-P36 HydrophobicContact CB-CG 4.48Å; V4-L38 HydrophobicContact CG2-CD1 3.51Å; V4-A99 HydrophobicContact CG1-CB 4.22Å; V4-A102 HydrophobicContact CG2-CB 4.32Å; V4-I103 HydrophobicContact CB-CG2 3.8Å; V4-I103 HydrophobicContact CG1-CG2 4.17Å
5F97.8Very high96.3Very high66 Ų6653.1 Ų53.129%0.28929%0.294SS..EExtended strand (participates in β ladder)trans-109146.3170-70.6-91.6000111.7T2 L28 A32 V35 P36 Y37 L38T2-F5 HydrophobicContact CG2-CD1 4.29Å; T2-F5 HydrophobicContact CG2-CD2 3.97Å; T2-F5 HydrophobicContact CG2-CE1 3.97Å; T2-F5 HydrophobicContact CG2-CE2 3.62Å; T2-F5 HydrophobicContact CG2-CG 4.31Å; T2-F5 HydrophobicContact CG2-CZ 3.63Å; F5-L28 HydrophobicContact CB-CD1 4.31Å; F5-L28 HydrophobicContact CB-CD2 4Å; F5-L28 HydrophobicContact CD1-CD1 3.86Å; F5-L28 HydrophobicContact CD2-CD1 3.49Å; F5-L28 VanDerWaalsContact CD2-CD1 3.49Å; F5-L28 HydrophobicContact CD2-CD2 4.37Å; F5-L28 HydrophobicContact CE1-CD1 3.93Å; F5-L28 HydrophobicContact CE2-CD1 3.56Å; F5-L28 HydrophobicContact CG-CD1 3.63Å; F5-L28 HydrophobicContact CG-CD2 4.22Å; F5-L28 HydrophobicContact CZ-CD1 3.78Å; F5-A32 HydrophobicContact CE2-CB 3.77Å; F5-A32 HydrophobicContact CZ-CB 4.23Å; F5-V35 HydrophobicContact CD2-CB 3.99Å; F5-V35 HydrophobicContact CD2-CG1 3.52Å; F5-V35 HydrophobicContact CE2-CB 3.9Å; F5-V35 HydrophobicContact CE2-CG1 3.66Å; F5-V35 HydrophobicContact CE2-CG2 4.26Å; F5-P36 PolarHBondContact N-O 3.44Å; F5-Y37 CarbonylContact O-C 3.44Å; F5-Y37 WeakPolarHBondContact O-CA 3.07Å; F5-Y37 WeakPolarHBondContact O-CB 3.45Å; F5-L38 PolarHBondContact O-N 3.47Å
6L98.3Very high96.4Very high73 Ų7350.4 Ų50.438%0.38228%0.281SS..EExtended strand (participates in β ladder)trans-112.6107.6172.9-56.2-174.6000108.5L38 I40 V95 A99L6-L38 HydrophobicContact CD2-CB 4.09Å; L6-L38 HydrophobicContact CD2-CD1 4.23Å; L6-L38 HydrophobicContact CD2-CD2 4.18Å; L6-L38 HydrophobicContact CD2-CG 4.4Å; L6-I40 HydrophobicContact CB-CD1 3.83Å; L6-I40 HydrophobicContact CD1-CD1 4.02Å; L6-I40 HydrophobicContact CD2-CD1 4.12Å; L6-I40 HydrophobicContact CG-CD1 4.2Å; L6-V95 HydrophobicContact CD1-CG1 3.99Å; L6-A99 HydrophobicContact CD2-CB 4.14Å
7I98.5Very high96.6Very high14 Ų1449.4 Ų49.47%0.07227%0.273CS..EExtended strand (participates in β ladder)trans-90114.5176.4-55.1-179.7000107.8V20 W24 V25 L28 Y37 L38 L39 I40I7-V20 HydrophobicContact CG2-CG1 4.04Å; I7-V20 HydrophobicContact CG2-CG2 4.05Å; I7-W24 HydrophobicContact CG2-CE3 4.06Å; I7-V25 HydrophobicContact CD1-CG2 3.51Å; I7-L28 HydrophobicContact CD1-CD2 3.78Å; I7-L28 HydrophobicContact CG1-CD2 4.25Å; I7-Y37 HydrophobicContact CD1-CD2 3.58Å; I7-Y37 HydrophobicContact CD1-CE2 4.08Å; I7-Y37 HydrophobicContact CD1-CG 4.06Å; I7-Y37 HydrophobicContact CG1-CD2 4.34Å; I7-L38 PolarHBondContact N-O 3.03Å; I7-L39 HydrophobicContact CB-CD1 4.43Å; I7-L39 HydrophobicContact CG2-CD1 4.26Å; I7-L39 CarbonylContact O-C 3.59Å; I7-I40 PolarHBondContact O-N 2.97Å
8C98.6Very high96.7Very high59 Ų5952.7 Ų52.740%0.39929%0.286SS..EExtended strand (participates in β ladder)trans-112134.6-173.3-58.60000110.7W24 I40 T42C8-W24 WeakPolarHBondContact O-CZ3 3.5Å; C8-I40 WeakPolarHBondContact CA-O 3.32Å; C8-T42 HydrophobicContact CB-CG2 4.08Å
9Y98.9Very high96.8Very high3 Ų353 Ų531%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-126.4163.2165.373.7-85.8000109.7V11 F17 V20 L39 I40 T42 I64 G69 Y81Y9-V11 HydrophobicContact CE2-CG1 3.99Å; Y9-F17 HydrophobicContact CD1-CD2 4.01Å; Y9-F17 HydrophobicContact CD2-CB 3.79Å; Y9-F17 AromaticContact CD2-CD2 3.62Å; Y9-F17 HydrophobicContact CD2-CD2 3.62Å; Y9-F17 HydrophobicContact CD2-CG 4.18Å; Y9-F17 AromaticContact CE1-CD2 3.77Å; Y9-F17 HydrophobicContact CE1-CD2 3.77Å; Y9-F17 HydrophobicContact CE1-CE2 4.06Å; Y9-F17 HydrophobicContact CE2-CB 4.22Å; Y9-F17 AromaticContact CE2-CD2 3.39Å; Y9-F17 HydrophobicContact CE2-CD2 3.39Å; Y9-F17 HydrophobicContact CE2-CE2 4.11Å; Y9-F17 HydrophobicContact CE2-CG 4.18Å; Y9-F17 HydrophobicContact CG-CB 4.28Å; Y9-F17 AromaticContact CG-CD2 3.93Å; Y9-F17 HydrophobicContact CG-CD2 3.93Å; Y9-F17 AromaticContact CZ-CD2 3.46Å; Y9-F17 VanDerWaalsContact CZ-CD2 3.46Å; Y9-F17 AromaticContact CZ-CE2 3.75Å; Y9-V20 HydrophobicContact CD1-CG2 4.32Å; Y9-V20 HydrophobicContact CG-CG2 4.46Å; Y9-L39 HydrophobicContact CD1-CD1 3.86Å; Y9-L39 HydrophobicContact CD1-CG 4.35Å; Y9-L39 HydrophobicContact CE1-CD1 4.09Å; Y9-L39 HydrophobicContact CE1-CD2 4.25Å; Y9-L39 HydrophobicContact CE1-CG 4.08Å; Y9-I40 WeakPolarHBondContact CD1-O 3.28Å; Y9-I40 PolarHBondContact N-O 2.9Å; Y9-T42 WeakPolarHBondContact O-CB 3.48Å; Y9-T42 PolarHBondContact O-N 2.69Å; Y9-T42 PolarHBondContact O-OG1 2.89Å; Y9-I64 HydrophobicContact CE2-CB 4.01Å; Y9-I64 HydrophobicContact CE2-CG1 4.15Å; Y9-I64 HydrophobicContact CE2-CG2 3.83Å; Y9-G69 WeakPolarHBondContact OH-CA 3.24Å; Y9-Y81 AromaticContact CE1-CE2 3.92Å; Y9-Y81 HydrophobicContact CE1-CE2 3.92Å; Y9-Y81 PolarHBondContact OH-OH 3.26Å
10S98.8Very high96.8Very high12 Ų1250.4 Ų50.48%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-95131.1173.1157.90000110.2V12 N13 S16 Q43S10-V12 PolarHBondContact O-N 3.35Å; S10-V12 VanDerWaalsContact O-N 3.12Å; S10-V12 VanDerWaalsContact OG-CG2 3.31Å; S10-V12 WeakPolarHBondContact OG-CG2 3.4Å; S10-V12 PolarHBondContact OG-N 3.33Å; S10-V12 VanDerWaalsContact OG-N 3.15Å; S10-N13 PolarHBondContact O-N 2.87Å; S10-N13 VanDerWaalsContact O-N 3.08Å; S10-N13 PolarHBondContact OG-N 2.68Å; S10-S16 PolarHBondContact N-OG 3.42Å; S10-S16 PolarHBondContact O-OG 3.17Å; S10-Q43 PolarHBondContact OG-OE1 2.99Å
11V98.8Very high96.8Very high0 Ų055.5 Ų55.50%029%0.288CS..THydrogen-bonded Turntrans-68.4-9.6178.2-52.80000112.8Y9 T42 I44 R47 P63 I64Y9-V11 HydrophobicContact CE2-CG1 3.99Å; V11-T42 WeakPolarHBondContact CG1-O 3.48Å; V11-T42 WeakPolarHBondContact CG2-O 3.43Å; V11-T42 PolarHBondContact N-O 2.75Å; V11-I44 HydrophobicContact CG1-CG2 4.06Å; V11-I44 HydrophobicContact CG2-CG2 4.24Å; V11-R47 VanDerWaalsContact CG1-NH2 3.34Å; V11-R47 HydrophobicContact CG2-CB 4.23Å; V11-P63 CarbonylContact O-C 3.57Å; V11-P63 WeakPolarHBondContact O-CA 3.38Å; V11-I64 HydrophobicContact CB-CB 4.42Å; V11-I64 PolarHBondContact O-N 3.36Å
12V98.6Very high97.8Very high19 Ų1950.7 Ų50.712%0.11526%0.263CS..THydrogen-bonded Turntrans-114.416.2175.6-61.80000112.4S10 Q43 L46 T52 L56 P63S10-V12 PolarHBondContact O-N 3.35Å; S10-V12 VanDerWaalsContact O-N 3.12Å; S10-V12 VanDerWaalsContact OG-CG2 3.31Å; S10-V12 WeakPolarHBondContact OG-CG2 3.4Å; S10-V12 PolarHBondContact OG-N 3.33Å; S10-V12 VanDerWaalsContact OG-N 3.15Å; V12-Q43 HydrophobicContact CG2-CB 4.45Å; V12-L46 HydrophobicContact CB-CB 4.46Å; V12-L46 HydrophobicContact CG1-CB 3.74Å; V12-L46 HydrophobicContact CG2-CB 3.98Å; V12-L46 HydrophobicContact CG2-CD1 3.92Å; V12-T52 HydrophobicContact CB-CG2 3.63Å; V12-T52 HydrophobicContact CG1-CG2 3.66Å; V12-T52 HydrophobicContact CG2-CG2 4.07Å; V12-L56 HydrophobicContact CB-CD1 4.17Å; V12-L56 HydrophobicContact CG1-CD1 4.48Å; V12-P63 HydrophobicContact CG1-CB 4.37Å
13N98.5Very high98Very high76 Ų7652.7 Ų52.741%0.40627%0.268SS..  trans-132.187.3171.3-178.3-4.6000109.8S10 A15 S16 F17S10-N13 PolarHBondContact O-N 2.87Å; S10-N13 VanDerWaalsContact O-N 3.08Å; S10-N13 PolarHBondContact OG-N 2.68Å; N13-A15 VanDerWaalsContact C-N 3.27Å; N13-A15 PolarHBondContact O-N 2.84Å; N13-A15 PolarHBondContact OD1-N 3.18Å; N13-S16 WeakPolarHBondContact O-CB 3.47Å; N13-S16 PolarHBondContact O-N 3.41Å; N13-S16 PolarHBondContact O-OG 3.2Å; N13-S16 PolarHBondContact OD1-N 2.81Å; N13-F17 PolarHBondContact O-N 3.12Å
14P98.3Very high98.2Very high15 Ų1552.4 Ų52.410%0.09726%0.26CS..Hα-helixtrans-56.5-33.1-177.7-29.939000115.3S16 F17 Q18 L56 E61 K62 I64P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.28Å; P14-F17 WeakPolarHBondContact O-CB 3.46Å; P14-F17 PolarHBondContact O-N 3.26Å; P14-F17 VanDerWaalsContact O-N 3.08Å; P14-Q18 PolarHBondContact O-N 3.14Å; P14-Q18 VanDerWaalsContact O-N 3.08Å; P14-L56 HydrophobicContact CG-CD2 4.48Å; P14-E61 VanDerWaalsContact CD-OE2 3.31Å; P14-E61 WeakPolarHBondContact CD-OE2 3.49Å; P14-E61 HydrophobicContact CG-CB 4.15Å; P14-E61 HydrophobicContact CG-CG 4.39Å; P14-E61 WeakPolarHBondContact CG-OE2 3.46Å; P14-K62 WeakPolarHBondContact CG-O 3.36Å; P14-I64 HydrophobicContact CB-CD1 4.12Å; P14-I64 HydrophobicContact CG-CD1 4.27Å
15A98.2Very high98.3Very high40 Ų4051 Ų5133%0.33125%0.251SS..Hα-helixtrans-61.5-39.3174.700000111.8N13 F17 Q18 N19N13-A15 VanDerWaalsContact C-N 3.27Å; N13-A15 PolarHBondContact O-N 2.84Å; N13-A15 PolarHBondContact OD1-N 3.18Å; A15-F17 PolarHBondContact O-N 2.9Å; A15-Q18 PolarHBondContact O-N 3.21Å; A15-N19 VanDerWaalsContact O-CG 3.3Å; A15-N19 PolarHBondContact O-N 2.74Å
16S98.7Very high98.3Very high11 Ų1150.7 Ų50.78%0.07726%0.256CS..Hα-helixtrans-63.3-31.7174.975.10000112.7S10 N13 P14 W24S10-S16 PolarHBondContact N-OG 3.42Å; S10-S16 PolarHBondContact O-OG 3.17Å; N13-S16 WeakPolarHBondContact O-CB 3.47Å; N13-S16 PolarHBondContact O-N 3.41Å; N13-S16 PolarHBondContact O-OG 3.2Å; N13-S16 PolarHBondContact OD1-N 2.81Å; P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.28Å; S16-W24 WeakPolarHBondContact O-CH2 3.41Å; S16-W24 VanDerWaalsContact O-CZ3 3.32Å; S16-W24 WeakPolarHBondContact O-CZ3 3.17Å
17F98.7Very high98.3Very high32 Ų3252.2 Ų52.214%0.1426%0.261CS..Hα-helixtrans-71.9-36.7175.8-179.2-104.8000112.2Y9 N13 P14 A15 V20 I64 Q68 L72Y9-F17 HydrophobicContact CD1-CD2 4.01Å; Y9-F17 HydrophobicContact CD2-CB 3.79Å; Y9-F17 AromaticContact CD2-CD2 3.62Å; Y9-F17 HydrophobicContact CD2-CD2 3.62Å; Y9-F17 HydrophobicContact CD2-CG 4.18Å; Y9-F17 AromaticContact CE1-CD2 3.77Å; Y9-F17 HydrophobicContact CE1-CD2 3.77Å; Y9-F17 HydrophobicContact CE1-CE2 4.06Å; Y9-F17 HydrophobicContact CE2-CB 4.22Å; Y9-F17 AromaticContact CE2-CD2 3.39Å; Y9-F17 HydrophobicContact CE2-CD2 3.39Å; Y9-F17 HydrophobicContact CE2-CE2 4.11Å; Y9-F17 HydrophobicContact CE2-CG 4.18Å; Y9-F17 HydrophobicContact CG-CB 4.28Å; Y9-F17 AromaticContact CG-CD2 3.93Å; Y9-F17 HydrophobicContact CG-CD2 3.93Å; Y9-F17 AromaticContact CZ-CD2 3.46Å; Y9-F17 VanDerWaalsContact CZ-CD2 3.46Å; Y9-F17 AromaticContact CZ-CE2 3.75Å; N13-F17 PolarHBondContact O-N 3.12Å; P14-F17 WeakPolarHBondContact O-CB 3.46Å; P14-F17 PolarHBondContact O-N 3.26Å; P14-F17 VanDerWaalsContact O-N 3.08Å; A15-F17 PolarHBondContact O-N 2.9Å; F17-V20 WeakPolarHBondContact O-CB 3.16Å; F17-I64 HydrophobicContact CB-CD1 4.08Å; F17-I64 HydrophobicContact CB-CG1 3.98Å; F17-I64 HydrophobicContact CD1-CD1 3.98Å; F17-I64 HydrophobicContact CD1-CG1 4.49Å; F17-I64 HydrophobicContact CD1-CG2 4.48Å; F17-I64 HydrophobicContact CD2-CG1 4.49Å; F17-I64 HydrophobicContact CD2-CG2 3.95Å; F17-I64 HydrophobicContact CE1-CG2 4.47Å; F17-I64 HydrophobicContact CE2-CG2 3.91Å; F17-I64 HydrophobicContact CG-CD1 4.06Å; F17-I64 HydrophobicContact CG-CG1 4.09Å; F17-I64 HydrophobicContact CG-CG2 4.21Å; F17-I64 HydrophobicContact CZ-CG2 4.18Å; F17-Q68 HydrophobicContact CZ-CB 4.1Å; F17-L72 HydrophobicContact CD2-CD2 3.76Å; F17-L72 HydrophobicContact CE1-CD2 4.27Å; F17-L72 HydrophobicContact CE2-CB 3.92Å; F17-L72 HydrophobicContact CE2-CD2 3.29Å; F17-L72 HydrophobicContact CE2-CG 4.23Å; F17-L72 HydrophobicContact CG-CD2 4.45Å; F17-L72 HydrophobicContact CZ-CB 3.74Å; F17-L72 HydrophobicContact CZ-CD2 3.59Å; F17-L72 HydrophobicContact CZ-CG 4.23Å
18Q98.3Very high98.2Very high109 Ų10952.5 Ų52.551%0.50926%0.263SS..Hα-helixtrans-65-46.5174.4-72.5172.1-22.800111.5P14 A15 V20 R21 E22P14-Q18 PolarHBondContact O-N 3.14Å; P14-Q18 VanDerWaalsContact O-N 3.08Å; A15-Q18 PolarHBondContact O-N 3.21Å; Q18-V20 PolarHBondContact O-N 2.92Å; Q18-V20 VanDerWaalsContact O-N 3.11Å; Q18-R21 PolarHBondContact O-N 3.29Å; Q18-E22 PolarHBondContact O-N 2.9Å; Q18-E22 VanDerWaalsContact O-N 3.15Å
19N98.6Very high98Very high59 Ų5954.3 Ų54.332%0.31627%0.265SS..Hα-helixtrans-57.7-29.2-179.7-69.7-12.7000113.7A15 R21 E22 E23 W24A15-N19 VanDerWaalsContact O-CG 3.3Å; A15-N19 PolarHBondContact O-N 2.74Å; N19-R21 VanDerWaalsContact C-N 3.28Å; N19-R21 PolarHBondContact O-N 3.45Å; N19-E22 PolarHBondContact O-N 2.98Å; N19-E23 PolarHBondContact O-N 3.45Å; N19-W24 HydrophobicContact CB-CD2 4.08Å; N19-W24 HydrophobicContact CB-CE3 4.48Å; N19-W24 HydrophobicContact CB-CH2 4.05Å; N19-W24 HydrophobicContact CB-CZ2 3.6Å; N19-W24 HydrophobicContact CB-CZ3 4.46Å; N19-W24 PolarHBondContact O-N 3.24Å
20V98.6Very high97.9Very high0 Ų061.5 Ų61.50%030%0.299CS..Iπ-helixtrans-53.4-48.6173.9171.20000110.8I7 Y9 F17 Q18 W24 V25 L39 L72 I76I7-V20 HydrophobicContact CG2-CG1 4.04Å; I7-V20 HydrophobicContact CG2-CG2 4.05Å; Y9-V20 HydrophobicContact CD1-CG2 4.32Å; Y9-V20 HydrophobicContact CG-CG2 4.46Å; F17-V20 WeakPolarHBondContact O-CB 3.16Å; Q18-V20 PolarHBondContact O-N 2.92Å; Q18-V20 VanDerWaalsContact O-N 3.11Å; V20-W24 HydrophobicContact CB-CE3 4.23Å; V20-W24 HydrophobicContact CG2-CE3 3.56Å; V20-W24 HydrophobicContact CG2-CZ3 3.63Å; V20-V25 HydrophobicContact CG1-CG2 3.88Å; V20-V25 VanDerWaalsContact O-CB 3.26Å; V20-V25 WeakPolarHBondContact O-CB 3.11Å; V20-V25 WeakPolarHBondContact O-CG2 3.45Å; V20-V25 PolarHBondContact O-N 2.63Å; V20-L39 HydrophobicContact CG1-CD1 3.74Å; V20-L39 HydrophobicContact CG2-CD1 4.15Å; V20-L72 HydrophobicContact CB-CD2 4.06Å; V20-L72 HydrophobicContact CG1-CD2 3.79Å; V20-I76 HydrophobicContact CG1-CD1 3.93Å
21R95.9Very high97.8Very high158 Ų15869.4 Ų69.460%0.59633%0.328SS*.Iπ-helixtrans-79.5-38.9-175.9-179.6-180171.6172.9-3.6111.9Q18 N19 P26 L72Q18-R21 PolarHBondContact O-N 3.29Å; N19-R21 VanDerWaalsContact C-N 3.28Å; N19-R21 PolarHBondContact O-N 3.45Å; R21-P26 WeakPolarHBondContact O-CD 3.38Å; R21-P26 WeakPolarHBondContact O-CG 3.44Å; R21-L72 HydrophobicContact CB-CD1 4.11Å
22E97.6Very high97.6Very high118 Ų11870.2 Ų70.255%0.55134%0.335SS*.Iπ-helixtrans-84.5-34-168.2-66.7178178.300112.2Q18 N19Q18-E22 PolarHBondContact O-N 2.9Å; Q18-E22 VanDerWaalsContact O-N 3.15Å; N19-E22 PolarHBondContact O-N 2.98Å
23E97.7Very high97.3Very high114 Ų11474.4 Ų74.453%0.53336%0.362SS..Iπ-helixtrans-124.9-59.5-170.6-58.8-61.6141.600111.8N19 P26 E27N19-E23 PolarHBondContact O-N 3.45Å; E23-P26 WeakPolarHBondContact O-CD 3.26Å; E23-E27 VanDerWaalsContact O-CB 3.26Å; E23-E27 WeakPolarHBondContact O-CB 3.47Å; E23-E27 PolarHBondContact O-N 3.35Å
24W98.4Very high97Very high87 Ų8774.8 Ų74.833%0.3337%0.371SS..Iπ-helixtrans-72.7-41.3-163.3-53.7-24.3000113.9I7 C8 S16 N19 V20 L28I7-W24 HydrophobicContact CG2-CE3 4.06Å; C8-W24 WeakPolarHBondContact O-CZ3 3.5Å; S16-W24 WeakPolarHBondContact O-CH2 3.41Å; S16-W24 VanDerWaalsContact O-CZ3 3.32Å; S16-W24 WeakPolarHBondContact O-CZ3 3.17Å; N19-W24 HydrophobicContact CB-CD2 4.08Å; N19-W24 HydrophobicContact CB-CE3 4.48Å; N19-W24 HydrophobicContact CB-CH2 4.05Å; N19-W24 HydrophobicContact CB-CZ2 3.6Å; N19-W24 HydrophobicContact CB-CZ3 4.46Å; N19-W24 PolarHBondContact O-N 3.24Å; V20-W24 HydrophobicContact CB-CE3 4.23Å; V20-W24 HydrophobicContact CG2-CE3 3.56Å; V20-W24 HydrophobicContact CG2-CZ3 3.63Å; W24-L28 VanDerWaalsContact O-CB 3.24Å; W24-L28 WeakPolarHBondContact O-CB 3.32Å; W24-L28 PolarHBondContact O-N 3.41Å
25V97.9Very high96.8Very high6 Ų675.3 Ų75.34%0.03637%0.374CS..Hα-helixtrans-68.8-48175.8171.20000111.2I7 V20 E27 L28 Q29 Y37 I76I7-V25 HydrophobicContact CD1-CG2 3.51Å; V20-V25 HydrophobicContact CG1-CG2 3.88Å; V20-V25 VanDerWaalsContact O-CB 3.26Å; V20-V25 WeakPolarHBondContact O-CB 3.11Å; V20-V25 WeakPolarHBondContact O-CG2 3.45Å; V20-V25 PolarHBondContact O-N 2.63Å; V25-E27 VanDerWaalsContact C-N 3.34Å; V25-E27 PolarHBondContact O-N 3.2Å; V25-L28 PolarHBondContact O-N 3.43Å; V25-Q29 HydrophobicContact CG1-CG 4.18Å; V25-Q29 WeakPolarHBondContact O-CB 3.31Å; V25-Q29 WeakPolarHBondContact O-CG 3.5Å; V25-Q29 PolarHBondContact O-N 2.85Å; V25-Y37 HydrophobicContact CG2-CE2 4.45Å; V25-I76 HydrophobicContact CG1-CB 4.17Å; V25-I76 HydrophobicContact CG2-CB 4.15Å; V25-I76 HydrophobicContact CG2-CD1 3.77Å; V25-I76 HydrophobicContact CG2-CG1 4.42Å; V25-I76 HydrophobicContact CG2-CG2 4.31Å
26P98.1Very high96.7Very high60 Ų6074.7 Ų74.739%0.3937%0.366SS..Hα-helixtrans-53.4-49.2174-29.736.6000113R21 E23 L28 Q29 E30R21-P26 WeakPolarHBondContact O-CD 3.38Å; R21-P26 WeakPolarHBondContact O-CG 3.44Å; E23-P26 WeakPolarHBondContact O-CD 3.26Å; P26-L28 PolarHBondContact O-N 3.21Å; P26-Q29 PolarHBondContact O-N 3.02Å; P26-E30 PolarHBondContact O-N 2.96Å
27E98.1Very high96.7Very high105 Ų10575.1 Ų75.149%0.49137%0.366SS..Hα-helixtrans-58.5-47.9177.3-174.6-175.6163.900111.2E23 V25 Q29 E30 Y31E23-E27 VanDerWaalsContact O-CB 3.26Å; E23-E27 WeakPolarHBondContact O-CB 3.47Å; E23-E27 PolarHBondContact O-N 3.35Å; V25-E27 VanDerWaalsContact C-N 3.34Å; V25-E27 PolarHBondContact O-N 3.2Å; E27-Q29 VanDerWaalsContact C-N 3.31Å; E27-Q29 PolarHBondContact O-N 2.9Å; E27-E30 WeakPolarHBondContact O-CB 3.24Å; E27-E30 PolarHBondContact O-N 3.19Å; E27-E30 VanDerWaalsContact O-N 3.16Å; E27-Y31 HydrophobicContact CG-CD2 3.77Å; E27-Y31 HydrophobicContact CG-CE2 3.72Å; E27-Y31 VanDerWaalsContact O-CD2 3.27Å; E27-Y31 WeakPolarHBondContact O-CD2 3.38Å; E27-Y31 PolarHBondContact O-N 3.42Å
28L96.8Very high96.7Very high20 Ų2073.6 Ų73.611%0.10536%0.36CS..Hα-helixtrans-60.9-40.9178.3178.664.7000112.3F5 I7 W24 V25 P26 E30 Y31 A32 Y37F5-L28 HydrophobicContact CB-CD1 4.31Å; F5-L28 HydrophobicContact CB-CD2 4Å; F5-L28 HydrophobicContact CD1-CD1 3.86Å; F5-L28 HydrophobicContact CD2-CD1 3.49Å; F5-L28 VanDerWaalsContact CD2-CD1 3.49Å; F5-L28 HydrophobicContact CD2-CD2 4.37Å; F5-L28 HydrophobicContact CE1-CD1 3.93Å; F5-L28 HydrophobicContact CE2-CD1 3.56Å; F5-L28 HydrophobicContact CG-CD1 3.63Å; F5-L28 HydrophobicContact CG-CD2 4.22Å; F5-L28 HydrophobicContact CZ-CD1 3.78Å; I7-L28 HydrophobicContact CD1-CD2 3.78Å; I7-L28 HydrophobicContact CG1-CD2 4.25Å; W24-L28 VanDerWaalsContact O-CB 3.24Å; W24-L28 WeakPolarHBondContact O-CB 3.32Å; W24-L28 PolarHBondContact O-N 3.41Å; V25-L28 PolarHBondContact O-N 3.43Å; P26-L28 PolarHBondContact O-N 3.21Å; L28-E30 VanDerWaalsContact C-N 3.28Å; L28-E30 PolarHBondContact O-N 3.4Å; L28-Y31 PolarHBondContact O-N 3.05Å; L28-A32 HydrophobicContact CD1-CB 4.03Å; L28-A32 CarbonylContact O-C 3.46Å; L28-A32 WeakPolarHBondContact O-CA 3.17Å; L28-A32 PolarHBondContact O-N 3.33Å; L28-Y37 HydrophobicContact CD2-CD1 3.56Å; L28-Y37 HydrophobicContact CD2-CD2 4.47Å; L28-Y37 HydrophobicContact CD2-CE1 4.2Å; L28-Y37 HydrophobicContact CD2-CG 3.71Å
29Q94.9Very high96.7Very high97 Ų9768.4 Ų68.445%0.45334%0.335SS..Hα-helixtrans-69.8-26.7179.3-74-175.3-10.900112.4V25 P26 E27 P33 Y37V25-Q29 HydrophobicContact CG1-CG 4.18Å; V25-Q29 WeakPolarHBondContact O-CB 3.31Å; V25-Q29 WeakPolarHBondContact O-CG 3.5Å; V25-Q29 PolarHBondContact O-N 2.85Å; P26-Q29 PolarHBondContact O-N 3.02Å; E27-Q29 VanDerWaalsContact C-N 3.31Å; E27-Q29 PolarHBondContact O-N 2.9Å; Q29-P33 WeakPolarHBondContact O-CB 3.39Å; Q29-Y37 PolarHBondContact NE2-OH 2.87Å
30E97.1Very high96.7Very high153 Ų15365.8 Ų65.872%0.71532%0.321SS*.Hα-helixtrans-71.3-49.1172.4-172.8175.1171.600111.5P26 E27 L28P26-E30 PolarHBondContact O-N 2.96Å; E27-E30 WeakPolarHBondContact O-CB 3.24Å; E27-E30 PolarHBondContact O-N 3.19Å; E27-E30 VanDerWaalsContact O-N 3.16Å; L28-E30 VanDerWaalsContact C-N 3.28Å; L28-E30 PolarHBondContact O-N 3.4Å
31Y96.1Very high96.7Very high179 Ų17965.8 Ų65.870%0.70232%0.321SS*.Hα-helixtrans-81.8-33.1-175.3-73.2-70.9000114.5E27 L28E27-Y31 HydrophobicContact CG-CD2 3.77Å; E27-Y31 HydrophobicContact CG-CE2 3.72Å; E27-Y31 VanDerWaalsContact O-CD2 3.27Å; E27-Y31 WeakPolarHBondContact O-CD2 3.38Å; E27-Y31 PolarHBondContact O-N 3.42Å; L28-Y31 PolarHBondContact O-N 3.05Å
32A94.4Very high96.8Very high17 Ų1759.8 Ų59.814%0.1430%0.303CS..  trans-139.855.5-171.500000113.3F5 L28 S34 V35F5-A32 HydrophobicContact CE2-CB 3.77Å; F5-A32 HydrophobicContact CZ-CB 4.23Å; L28-A32 HydrophobicContact CD1-CB 4.03Å; L28-A32 CarbonylContact O-C 3.46Å; L28-A32 WeakPolarHBondContact O-CA 3.17Å; L28-A32 PolarHBondContact O-N 3.33Å; A32-S34 PolarHBondContact O-N 2.54Å; A32-V35 HydrophobicContact CB-CB 4.23Å; A32-V35 HydrophobicContact CB-CG2 3.93Å; A32-V35 PolarHBondContact O-N 3.08Å; A32-V35 VanDerWaalsContact O-N 3.13Å
33P93.5Very high96.9Very high106 Ų10658.2 Ų58.269%0.68830%0.295SS*.THydrogen-bonded Turntrans-60.4-17.9-170.521.8-34.1000115.6Q29Q29-P33 WeakPolarHBondContact O-CB 3.39Å
34S90.9Very high96.9Very high84 Ų8453.5 Ų53.559%0.58727%0.274SS*.THydrogen-bonded Turntrans-105.1-6.1-175.170.30000114.5A32 K107A32-S34 PolarHBondContact O-N 2.54Å; S34-K107 PolarHBondContact O-NZ 3.45Å
35V94.9Very high96.9Very high26 Ų2651.7 Ų51.716%0.15827%0.27CS..SBendtrans-89126.8-178.2-172.80000108.8T2 F5 A32T2-V35 WeakPolarHBondContact O-CG1 3.39Å; F5-V35 HydrophobicContact CD2-CB 3.99Å; F5-V35 HydrophobicContact CD2-CG1 3.52Å; F5-V35 HydrophobicContact CE2-CB 3.9Å; F5-V35 HydrophobicContact CE2-CG1 3.66Å; F5-V35 HydrophobicContact CE2-CG2 4.26Å; A32-V35 HydrophobicContact CB-CB 4.23Å; A32-V35 HydrophobicContact CB-CG2 3.93Å; A32-V35 PolarHBondContact O-N 3.08Å; A32-V35 VanDerWaalsContact O-N 3.13Å
36P96.1Very high97Very high27 Ų2753.6 Ų53.618%0.17528%0.28CS..  trans-65.3153.9177.228.4-35.2000111.6D3 V4 F5 C79 A102D3-P36 WeakPolarHBondContact O-CD 3.48Å; D3-P36 WeakPolarHBondContact O-CG 3.44Å; V4-P36 WeakPolarHBondContact CA-O 3.21Å; V4-P36 HydrophobicContact CB-CG 4.48Å; F5-P36 PolarHBondContact N-O 3.44Å; P36-C79 VanDerWaalsContact CB-SG 3.53Å; P36-A102 HydrophobicContact CB-CB 4.41Å
37Y97.8Very high97Very high20 Ų2052.6 Ų52.68%0.07827%0.269CS..EExtended strand (participates in β ladder)trans-143.9151.317457.1-90.9000112.7F5 I7 V25 L28 Q29 I76 A78 C79F5-Y37 CarbonylContact O-C 3.44Å; F5-Y37 WeakPolarHBondContact O-CA 3.07Å; F5-Y37 WeakPolarHBondContact O-CB 3.45Å; I7-Y37 HydrophobicContact CD1-CD2 3.58Å; I7-Y37 HydrophobicContact CD1-CE2 4.08Å; I7-Y37 HydrophobicContact CD1-CG 4.06Å; I7-Y37 HydrophobicContact CG1-CD2 4.34Å; V25-Y37 HydrophobicContact CG2-CE2 4.45Å; L28-Y37 HydrophobicContact CD2-CD1 3.56Å; L28-Y37 HydrophobicContact CD2-CD2 4.47Å; L28-Y37 HydrophobicContact CD2-CE1 4.2Å; L28-Y37 HydrophobicContact CD2-CG 3.71Å; Q29-Y37 PolarHBondContact NE2-OH 2.87Å; Y37-I76 HydrophobicContact CE2-CD1 4.29Å; Y37-I76 HydrophobicContact CE2-CG1 4.26Å; Y37-I76 PolarHBondContact OH-O 3.42Å; Y37-A78 HydrophobicContact CD2-CB 3.99Å; Y37-A78 HydrophobicContact CE2-CB 3.91Å; Y37-C79 PolarHBondContact O-N 2.91Å
38L98.3Very high96.9Very high0 Ų053.9 Ų53.90%028%0.279CS..EExtended strand (participates in β ladder)trans-107.9148.7176.3-69.668000109.1V4 F5 L6 I7 C79 E98 A99 A102V4-L38 HydrophobicContact CG2-CD1 3.51Å; F5-L38 PolarHBondContact O-N 3.47Å; L6-L38 HydrophobicContact CD2-CB 4.09Å; L6-L38 HydrophobicContact CD2-CD1 4.23Å; L6-L38 HydrophobicContact CD2-CD2 4.18Å; L6-L38 HydrophobicContact CD2-CG 4.4Å; I7-L38 PolarHBondContact N-O 3.03Å; L38-C79 HydrophobicContact CD1-CB 4.49Å; L38-E98 HydrophobicContact CD2-CB 3.56Å; L38-A99 HydrophobicContact CD2-CB 4.49Å; L38-A102 HydrophobicContact CD1-CB 3.82Å
39L98.8Very high96.9Very high0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-98.8129.4168-177.364.1000109.6I7 Y9 V20 L72 A73 I76 A78 C80 Y81 V82I7-L39 HydrophobicContact CB-CD1 4.43Å; I7-L39 HydrophobicContact CG2-CD1 4.26Å; I7-L39 CarbonylContact O-C 3.59Å; Y9-L39 HydrophobicContact CD1-CD1 3.86Å; Y9-L39 HydrophobicContact CD1-CG 4.35Å; Y9-L39 HydrophobicContact CE1-CD1 4.09Å; Y9-L39 HydrophobicContact CE1-CD2 4.25Å; Y9-L39 HydrophobicContact CE1-CG 4.08Å; V20-L39 HydrophobicContact CG1-CD1 3.74Å; V20-L39 HydrophobicContact CG2-CD1 4.15Å; L39-L72 HydrophobicContact CD2-CB 4.05Å; L39-L72 HydrophobicContact CD2-CD2 3.96Å; L39-L72 HydrophobicContact CD2-CG 3.96Å; L39-A73 HydrophobicContact CB-CB 4.17Å; L39-A73 HydrophobicContact CD2-CB 3.93Å; L39-I76 HydrophobicContact CB-CD1 4.32Å; L39-I76 HydrophobicContact CD1-CD1 4.26Å; L39-I76 HydrophobicContact CD2-CD1 4.11Å; L39-I76 HydrophobicContact CG-CD1 4.47Å; L39-A78 HydrophobicContact CB-CB 4.13Å; L39-C80 PolarHBondContact N-O 3.33Å; L39-C80 VanDerWaalsContact N-O 3.16Å; L39-Y81 HydrophobicContact CB-CD2 4.15Å; L39-Y81 HydrophobicContact CD2-CD2 3.99Å; L39-Y81 HydrophobicContact CD2-CE2 4.35Å; L39-Y81 HydrophobicContact CG-CD2 3.92Å; L39-Y81 HydrophobicContact CG-CE2 4.29Å; L39-Y81 WeakPolarHBondContact O-CA 3.22Å; L39-Y81 WeakPolarHBondContact O-CD2 3.41Å; L39-V82 PolarHBondContact O-N 3.12Å
40I98.9Very high97.1Very high4 Ų455.4 Ų55.42%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-122.8120.3-177.1-52-178000110.9L6 I7 C8 Y9 T42 V82 V95L6-I40 HydrophobicContact CB-CD1 3.83Å; L6-I40 HydrophobicContact CD1-CD1 4.02Å; L6-I40 HydrophobicContact CD2-CD1 4.12Å; L6-I40 HydrophobicContact CG-CD1 4.2Å; I7-I40 PolarHBondContact O-N 2.97Å; C8-I40 WeakPolarHBondContact CA-O 3.32Å; Y9-I40 WeakPolarHBondContact CD1-O 3.28Å; Y9-I40 PolarHBondContact N-O 2.9Å; I40-T42 HydrophobicContact CG2-CG2 3.89Å; I40-V82 CarbonylContact C-O 3.53Å; I40-V82 VanDerWaalsContact CA-O 3.25Å; I40-V82 WeakPolarHBondContact CA-O 3.32Å; I40-V95 HydrophobicContact CD1-CB 4.35Å; I40-V95 HydrophobicContact CD1-CG1 3.43Å; I40-V95 VanDerWaalsContact CD1-CG1 3.43Å; I40-V95 HydrophobicContact CD1-CG2 3.98Å; I40-V95 HydrophobicContact CG1-CG2 4.49Å; I40-V95 HydrophobicContact CG2-CG2 4.13Å
41G98.8Very high97.1Very high0 Ų056.5 Ų56.50%030%0.298CS..EExtended strand (participates in β ladder)trans-86.4112.6165.700000110.5V82 E83 C84G41-V82 PolarHBondContact N-O 3.32Å; G41-E83 CarbonylContact O-C 3.39Å; G41-E83 VanDerWaalsContact O-CA 3.26Å; G41-E83 WeakPolarHBondContact O-CA 3.49Å; G41-C84 PolarHBondContact O-N 3.43Å
42T98.9Very high97.2Very high33 Ų3349.1 Ų49.120%0.20227%0.272CS..EExtended strand (participates in β ladder)trans-99.9165.5-177.966.60000112.1C8 Y9 V11 I40 I44 C84C8-T42 HydrophobicContact CB-CG2 4.08Å; Y9-T42 WeakPolarHBondContact O-CB 3.48Å; Y9-T42 PolarHBondContact O-N 2.69Å; Y9-T42 PolarHBondContact O-OG1 2.89Å; V11-T42 WeakPolarHBondContact CG1-O 3.48Å; V11-T42 WeakPolarHBondContact CG2-O 3.43Å; V11-T42 PolarHBondContact N-O 2.75Å; I40-T42 HydrophobicContact CG2-CG2 3.89Å; T42-I44 VanDerWaalsContact C-N 3.35Å; T42-I44 PolarHBondContact O-N 3.49Å; T42-C84 CarbonylContact C-O 3.44Å; T42-C84 WeakPolarHBondContact CA-O 3.32Å
43Q98.6Very high97.4Very high84 Ų8451.1 Ų51.139%0.39328%0.279SS..  trans63.535.7176.4-54.4176.5-30.600113.5S10 V12 D45 L46 C84S10-Q43 PolarHBondContact OG-OE1 2.99Å; V12-Q43 HydrophobicContact CG2-CB 4.45Å; Q43-D45 PolarHBondContact O-N 3.08Å; Q43-L46 HydrophobicContact CB-CD1 4.13Å; Q43-L46 HydrophobicContact CB-CG 4.39Å; Q43-L46 WeakPolarHBondContact O-CB 3.14Å; Q43-L46 PolarHBondContact O-N 3.08Å; Q43-C84 PolarHBondContact N-O 3.5Å; Q43-C84 VanDerWaalsContact N-O 3.08Å
44I98.7Very high97.6Very high16 Ų1648.3 Ų48.38%0.08227%0.265CS..G310 helixtrans-64.2-19.9-178.665.9177.6000114.4V11 T42 L46 R47 E83 C84 K90V11-I44 HydrophobicContact CG1-CG2 4.06Å; V11-I44 HydrophobicContact CG2-CG2 4.24Å; T42-I44 VanDerWaalsContact C-N 3.35Å; T42-I44 PolarHBondContact O-N 3.49Å; I44-L46 PolarHBondContact O-N 3.32Å; I44-R47 WeakPolarHBondContact O-CB 3.3Å; I44-R47 PolarHBondContact O-N 3.44Å; I44-E83 HydrophobicContact CD1-CB 4.23Å; I44-E83 HydrophobicContact CG2-CB 3.73Å; I44-E83 HydrophobicContact CG2-CG 3.97Å; I44-C84 PolarHBondContact N-O 3.45Å; I44-K90 HydrophobicContact CD1-CB 4.45Å; I44-K90 HydrophobicContact CD1-CD 3.88Å; I44-K90 HydrophobicContact CD1-CG 4.11Å
45D98.4Very high98Very high48 Ų4851.2 Ų51.226%0.25727%0.267SS..G310 helixtrans-63-24.7171.152.1-73.4000112.9Q43 S85 L87 T88Q43-D45 PolarHBondContact O-N 3.08Å; D45-S85 WeakPolarHBondContact OD1-CB 3.35Å; D45-S85 PolarHBondContact OD1-OG 3.19Å; D45-L87 WeakPolarHBondContact OD2-CD2 3.39Å; D45-T88 HydrophobicContact CB-CG2 3.97Å
46L98.6Very high98.1Very high47 Ų4750.4 Ų50.425%0.24626%0.262CS..G310 helixtrans-89.1-8.5-179.7-58.6-176.8000113.7V12 Q43 I44 D48 D49 T52V12-L46 HydrophobicContact CB-CB 4.46Å; V12-L46 HydrophobicContact CG1-CB 3.74Å; V12-L46 HydrophobicContact CG2-CB 3.98Å; V12-L46 HydrophobicContact CG2-CD1 3.92Å; Q43-L46 HydrophobicContact CB-CD1 4.13Å; Q43-L46 HydrophobicContact CB-CG 4.39Å; Q43-L46 WeakPolarHBondContact O-CB 3.14Å; Q43-L46 PolarHBondContact O-N 3.08Å; I44-L46 PolarHBondContact O-N 3.32Å; L46-D48 PolarHBondContact O-N 3.29Å; L46-D49 HydrophobicContact CD2-CB 4.25Å; L46-D49 PolarHBondContact O-N 3.05Å; L46-T52 HydrophobicContact CB-CG2 4.25Å
47R98.1Very high98.2Very high39 Ų3953.4 Ų53.415%0.14728%0.276CS..THydrogen-bonded Turntrans-59.8-35.7-177.3-177.8177.8-74.9145.5-5.8112.3V11 I44 P63 I64 T66 E83V11-R47 VanDerWaalsContact CG1-NH2 3.34Å; V11-R47 HydrophobicContact CG2-CB 4.23Å; I44-R47 WeakPolarHBondContact O-CB 3.3Å; I44-R47 PolarHBondContact O-N 3.44Å; R47-P63 HydrophobicContact CG-CB 3.93Å; R47-I64 PolarHBondContact NE-O 2.95Å; R47-I64 VanDerWaalsContact NE-O 3.08Å; R47-I64 PolarHBondContact NH2-O 3.36Å; R47-T66 PolarHBondContact NH1-OG1 3.16Å; R47-T66 VanDerWaalsContact NH1-OG1 3.12Å; R47-E83 IonicContact CZ-OE1 3.42Å; R47-E83 IonicContact CZ-OE2 3.63Å; R47-E83 IonicContact NH1-OE1 3.28Å; R47-E83 PolarHBondContact NH1-OE1 3.27Å; R47-E83 IonicContact NH1-OE2 2.81Å; R47-E83 PolarHBondContact NH1-OE2 3.2Å; R47-E83 VanDerWaalsContact NH2-CD 3.35Å; R47-E83 IonicContact NH2-OE1 2.69Å; R47-E83 PolarHBondContact NH2-OE1 3.5Å; R47-E83 IonicContact NH2-OE2 3.55Å
48D96.1Very high98.2Very high132 Ų13259.3 Ų59.371%0.70631%0.309SS*.THydrogen-bonded Turntrans-107.75.9-179.4-57-51000112.6L46 P50L46-D48 PolarHBondContact O-N 3.29Å; D48-P50 WeakPolarHBondContact O-CD 3.44Å
49D98Very high98.1Very high50 Ų5064.5 Ų64.527%0.26734%0.335SS..  trans-71.5121.3-179.4170.861.2000110.8L46 K51 T52 I53L46-D49 HydrophobicContact CD2-CB 4.25Å; L46-D49 PolarHBondContact O-N 3.05Å; D49-K51 VanDerWaalsContact C-N 3.28Å; D49-K51 PolarHBondContact O-N 3.4Å; D49-K51 WeakPolarHBondContact OD2-CB 3.32Å; D49-K51 PolarHBondContact OD2-N 3.4Å; D49-T52 PolarHBondContact O-N 2.93Å; D49-T52 VanDerWaalsContact O-N 3.14Å; D49-T52 WeakPolarHBondContact OD2-CB 3.43Å; D49-T52 PolarHBondContact OD2-N 2.74Å; D49-T52 PolarHBondContact OD2-OG1 3.21Å; D49-I53 WeakPolarHBondContact O-CG1 3.26Å; D49-I53 PolarHBondContact O-N 2.91Å
50P98.1Very high98.1Very high99 Ų9974 Ų7464%0.64338%0.376SS*.Hα-helixtrans-59.7-35.5-174.2-2734.9000114.2D48 A54D48-P50 WeakPolarHBondContact O-CD 3.44Å; P50-A54 WeakPolarHBondContact O-CB 3.36Å; P50-A54 PolarHBondContact O-N 3.42Å
51K98.1Very high98Very high175 Ų17576.4 Ų76.476%0.76139%0.387SS*.Hα-helixtrans-69.5-42.5179.4-66.1-178.1-1801780110.8D49 A54 K55D49-K51 VanDerWaalsContact C-N 3.28Å; D49-K51 PolarHBondContact O-N 3.4Å; D49-K51 WeakPolarHBondContact OD2-CB 3.32Å; D49-K51 PolarHBondContact OD2-N 3.4Å; K51-A54 PolarHBondContact O-N 3.41Å; K51-K55 PolarHBondContact O-N 3.03Å; K51-K55 VanDerWaalsContact O-N 3.08Å
52T97.9Very high98Very high25 Ų2584 Ų8415%0.15342%0.42CS..Hα-helixtrans-65.4-43.8177.3-57.80000111.3V12 L46 D49 A54 K55 L56V12-T52 HydrophobicContact CB-CG2 3.63Å; V12-T52 HydrophobicContact CG1-CG2 3.66Å; V12-T52 HydrophobicContact CG2-CG2 4.07Å; L46-T52 HydrophobicContact CB-CG2 4.25Å; D49-T52 PolarHBondContact O-N 2.93Å; D49-T52 VanDerWaalsContact O-N 3.14Å; D49-T52 WeakPolarHBondContact OD2-CB 3.43Å; D49-T52 PolarHBondContact OD2-N 2.74Å; D49-T52 PolarHBondContact OD2-OG1 3.21Å; T52-A54 PolarHBondContact O-N 2.84Å; T52-K55 PolarHBondContact O-N 3.31Å; T52-L56 HydrophobicContact CG2-CD1 4.21Å; T52-L56 WeakPolarHBondContact O-CG 3.48Å; T52-L56 PolarHBondContact O-N 3.07Å
53I98Very high98Very high58 Ų5883.8 Ų83.830%0.29742%0.42SS..Hα-helixtrans-60.4-45.8175.3-69.3168.3000111.1D49 K55 L56 N57D49-I53 WeakPolarHBondContact O-CG1 3.26Å; D49-I53 PolarHBondContact O-N 2.91Å; I53-K55 VanDerWaalsContact C-N 3.35Å; I53-K55 PolarHBondContact O-N 3.06Å; I53-L56 PolarHBondContact O-N 3.43Å; I53-N57 WeakPolarHBondContact CG2-ND2 3.39Å; I53-N57 WeakPolarHBondContact O-CB 3.49Å; I53-N57 VanDerWaalsContact O-CG 3.25Å; I53-N57 PolarHBondContact O-N 3.28Å; I53-N57 PolarHBondContact O-ND2 3.38Å
54A98.2Very high98Very high48 Ų4880.1 Ų80.140%0.39740%0.403SS..Hα-helixtrans-58.1-47177.500000111.6P50 K51 T52 L56 N57 D58P50-A54 WeakPolarHBondContact O-CB 3.36Å; P50-A54 PolarHBondContact O-N 3.42Å; K51-A54 PolarHBondContact O-N 3.41Å; T52-A54 PolarHBondContact O-N 2.84Å; A54-L56 PolarHBondContact O-N 3.46Å; A54-N57 WeakPolarHBondContact O-CB 3.48Å; A54-N57 PolarHBondContact O-N 3.48Å; A54-D58 PolarHBondContact O-N 2.92Å
55K98Very high98Very high145 Ų14581 Ų8163%0.6341%0.412SS*.Hα-helixtrans-60.5-42.7177.6-174.6-175.9176.9-174.40112.7K51 T52 I53 D58 M59K51-K55 PolarHBondContact O-N 3.03Å; K51-K55 VanDerWaalsContact O-N 3.08Å; T52-K55 PolarHBondContact O-N 3.31Å; I53-K55 VanDerWaalsContact C-N 3.35Å; I53-K55 PolarHBondContact O-N 3.06Å; K55-D58 PolarHBondContact O-N 3.29Å; K55-M59 PolarHBondContact O-N 3.24Å
56L97.8Very high98Very high8 Ų880.6 Ų80.64%0.04241%0.412CS..Hα-helixtrans-66.5-39.3177.3-74.6169.8000111.5V12 P14 T52 I53 A54 D58 M59 K60 E61 P63V12-L56 HydrophobicContact CB-CD1 4.17Å; V12-L56 HydrophobicContact CG1-CD1 4.48Å; P14-L56 HydrophobicContact CG-CD2 4.48Å; T52-L56 HydrophobicContact CG2-CD1 4.21Å; T52-L56 WeakPolarHBondContact O-CG 3.48Å; T52-L56 PolarHBondContact O-N 3.07Å; I53-L56 PolarHBondContact O-N 3.43Å; A54-L56 PolarHBondContact O-N 3.46Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-D58 PolarHBondContact O-N 3.32Å; L56-M59 CarbonylContact O-C 3.46Å; L56-M59 WeakPolarHBondContact O-CA 3.25Å; L56-M59 WeakPolarHBondContact O-CB 3.4Å; L56-M59 PolarHBondContact O-N 3.07Å; L56-K60 PolarHBondContact O-N 3.12Å; L56-K60 VanDerWaalsContact O-N 3.07Å; L56-E61 CarbonylContact C-O 3.59Å; L56-E61 HydrophobicContact CB-CB 4.43Å; L56-E61 HydrophobicContact CD2-CB 3.95Å; L56-E61 PolarHBondContact O-N 3.32Å; L56-P63 HydrophobicContact CD1-CB 4.46Å; L56-P63 HydrophobicContact CD1-CG 3.69Å
57N97.6Very high98Very high90 Ų9084.4 Ų84.448%0.48143%0.428SS..Hα-helixtrans-62.5-38.1175.9-72.8-30.2000112.4I53 A54 M59 K60I53-N57 WeakPolarHBondContact CG2-ND2 3.39Å; I53-N57 WeakPolarHBondContact O-CB 3.49Å; I53-N57 VanDerWaalsContact O-CG 3.25Å; I53-N57 PolarHBondContact O-N 3.28Å; I53-N57 PolarHBondContact O-ND2 3.38Å; A54-N57 WeakPolarHBondContact O-CB 3.48Å; A54-N57 PolarHBondContact O-N 3.48Å; N57-M59 PolarHBondContact O-N 2.91Å; N57-K60 WeakPolarHBondContact O-CA 3.34Å; N57-K60 PolarHBondContact O-N 3.41Å
58D97.9Very high98Very high144 Ų14486.8 Ų86.877%0.7744%0.441SS*.Hα-helixtrans-59.2-33.1174-67.9-20.1000111.6A54 K55 L56 K60A54-D58 PolarHBondContact O-N 2.92Å; K55-D58 PolarHBondContact O-N 3.29Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-D58 PolarHBondContact O-N 3.32Å; D58-K60 VanDerWaalsContact C-N 3.34Å
59M97.1Very high98.1Very high110 Ų11080.5 Ų80.554%0.54241%0.407SS..THydrogen-bonded Turntrans-871.6174.7-66.5172.738.200113.8K55 L56 N57 E61K55-M59 PolarHBondContact O-N 3.24Å; L56-M59 CarbonylContact O-C 3.46Å; L56-M59 WeakPolarHBondContact O-CA 3.25Å; L56-M59 WeakPolarHBondContact O-CB 3.4Å; L56-M59 PolarHBondContact O-N 3.07Å; N57-M59 PolarHBondContact O-N 2.91Å; M59-E61 HydrophobicContact CB-CB 4.46Å; M59-E61 HydrophobicContact CB-CG 4.31Å; M59-E61 VanDerWaalsContact CE-OE2 3.24Å; M59-E61 WeakPolarHBondContact CE-OE2 3.42Å; M59-E61 PolarHBondContact O-N 3.19Å
60K97.9Very high98.1Very high198 Ų19882.4 Ų82.486%0.86142%0.415SS*.THydrogen-bonded Turntrans58.127.7-172.6-53.9179.1-178.4177.70113.8L56 N57 D58L56-K60 PolarHBondContact O-N 3.12Å; L56-K60 VanDerWaalsContact O-N 3.07Å; N57-K60 WeakPolarHBondContact O-CA 3.34Å; N57-K60 PolarHBondContact O-N 3.41Å; D58-K60 VanDerWaalsContact C-N 3.34Å
61E97.8Very high98.2Very high55 Ų5584 Ų8426%0.25741%0.411SS..  trans-106.5168.7178.2-72.4-166.9156.500111.5P14 L56 M59P14-E61 VanDerWaalsContact CD-OE2 3.31Å; P14-E61 WeakPolarHBondContact CD-OE2 3.49Å; P14-E61 HydrophobicContact CG-CB 4.15Å; P14-E61 HydrophobicContact CG-CG 4.39Å; P14-E61 WeakPolarHBondContact CG-OE2 3.46Å; L56-E61 CarbonylContact C-O 3.59Å; L56-E61 HydrophobicContact CB-CB 4.43Å; L56-E61 HydrophobicContact CD2-CB 3.95Å; L56-E61 PolarHBondContact O-N 3.32Å; M59-E61 HydrophobicContact CB-CB 4.46Å; M59-E61 HydrophobicContact CB-CG 4.31Å; M59-E61 VanDerWaalsContact CE-OE2 3.24Å; M59-E61 WeakPolarHBondContact CE-OE2 3.42Å; M59-E61 PolarHBondContact O-N 3.19Å
62K97.9Very high98.2Very high159 Ų15976 Ų7669%0.69138%0.377SS*.  trans-136152.1175.8-68.2-177.7179.6-179.60110P14P14-K62 WeakPolarHBondContact CG-O 3.36Å
63P98.5Very high98.2Very high29 Ų2975.1 Ų75.119%0.18837%0.372CS..PPolyproline II helixtrans-54.8145.9168.3-23.433000111.4V11 V12 R47 L56 A65V11-P63 CarbonylContact O-C 3.57Å; V11-P63 WeakPolarHBondContact O-CA 3.38Å; V12-P63 HydrophobicContact CG1-CB 4.37Å; R47-P63 HydrophobicContact CG-CB 3.93Å; L56-P63 HydrophobicContact CD1-CB 4.46Å; L56-P63 HydrophobicContact CD1-CG 3.69Å; P63-A65 PolarHBondContact O-N 2.85Å
64I98.7Very high98.2Very high8 Ų880.5 Ų80.54%0.04139%0.394CS..PPolyproline II helixtrans-71.8121.5175.3-53.7-56.9000109.1Y9 V11 P14 F17 R47 Q68Y9-I64 HydrophobicContact CE2-CB 4.01Å; Y9-I64 HydrophobicContact CE2-CG1 4.15Å; Y9-I64 HydrophobicContact CE2-CG2 3.83Å; V11-I64 HydrophobicContact CB-CB 4.42Å; V11-I64 PolarHBondContact O-N 3.36Å; P14-I64 HydrophobicContact CB-CD1 4.12Å; P14-I64 HydrophobicContact CG-CD1 4.27Å; F17-I64 HydrophobicContact CB-CD1 4.08Å; F17-I64 HydrophobicContact CB-CG1 3.98Å; F17-I64 HydrophobicContact CD1-CD1 3.98Å; F17-I64 HydrophobicContact CD1-CG1 4.49Å; F17-I64 HydrophobicContact CD1-CG2 4.48Å; F17-I64 HydrophobicContact CD2-CG1 4.49Å; F17-I64 HydrophobicContact CD2-CG2 3.95Å; F17-I64 HydrophobicContact CE1-CG2 4.47Å; F17-I64 HydrophobicContact CE2-CG2 3.91Å; F17-I64 HydrophobicContact CG-CD1 4.06Å; F17-I64 HydrophobicContact CG-CG1 4.09Å; F17-I64 HydrophobicContact CG-CG2 4.21Å; F17-I64 HydrophobicContact CZ-CG2 4.18Å; R47-I64 PolarHBondContact NE-O 2.95Å; R47-I64 VanDerWaalsContact NE-O 3.08Å; R47-I64 PolarHBondContact NH2-O 3.36Å; I64-Q68 HydrophobicContact CG2-CB 3.91Å
65A98.4Very high98.2Very high34 Ų3483.3 Ų83.328%0.28140%0.398SS..PPolyproline II helixtrans-72.4152.1175.500000111.3P63 E67 Q68 G69P63-A65 PolarHBondContact O-N 2.85Å; A65-E67 PolarHBondContact O-N 3.04Å; A65-Q68 HydrophobicContact CB-CG 4.28Å; A65-Q68 WeakPolarHBondContact O-CB 3.31Å; A65-Q68 PolarHBondContact O-N 2.81Å; A65-G69 PolarHBondContact O-N 2.76Å
66T98.5Very high98.1Very high39 Ų3977.2 Ų77.224%0.23937%0.373CS..Hα-helixtrans-58.2-38.2-179.7-60.10000111.8R47 Q68 G69 Q70 Y81 E83R47-T66 PolarHBondContact NH1-OG1 3.16Å; R47-T66 VanDerWaalsContact NH1-OG1 3.12Å; T66-Q68 VanDerWaalsContact C-N 3.28Å; T66-Q68 PolarHBondContact O-N 2.98Å; T66-G69 PolarHBondContact O-N 2.55Å; T66-Q70 HydrophobicContact CG2-CG 4.5Å; T66-Q70 WeakPolarHBondContact O-CG 2.97Å; T66-Q70 PolarHBondContact O-N 3.15Å; T66-Y81 HydrophobicContact CG2-CE1 4.13Å; T66-E83 VanDerWaalsContact CA-OE1 3.24Å; T66-E83 WeakPolarHBondContact CA-OE1 3.35Å; T66-E83 VanDerWaalsContact CB-OE1 3.32Å; T66-E83 WeakPolarHBondContact CB-OE1 3.45Å; T66-E83 VanDerWaalsContact OG1-CD 3.3Å; T66-E83 PolarHBondContact OG1-OE1 3.45Å; T66-E83 PolarHBondContact OG1-OE2 2.92Å
67E98.6Very high98Very high128 Ų12879.2 Ų79.260%0.59840%0.395SS*.Hα-helixtrans-63.5-34.6178.5-62.270.7-154.600111.8A65 K71A65-E67 PolarHBondContact O-N 3.04Å; E67-K71 VanDerWaalsContact O-CB 3.28Å; E67-K71 WeakPolarHBondContact O-CB 3.42Å; E67-K71 PolarHBondContact O-N 2.79Å
68Q98.6Very high98Very high89 Ų8975.8 Ų75.842%0.41638%0.379SS..Hα-helixtrans-66.9-43.5175.9-64.3176.1-85.500110.7F17 I64 A65 T66 K71 L72F17-Q68 HydrophobicContact CZ-CB 4.1Å; I64-Q68 HydrophobicContact CG2-CB 3.91Å; A65-Q68 HydrophobicContact CB-CG 4.28Å; A65-Q68 WeakPolarHBondContact O-CB 3.31Å; A65-Q68 PolarHBondContact O-N 2.81Å; T66-Q68 VanDerWaalsContact C-N 3.28Å; T66-Q68 PolarHBondContact O-N 2.98Å; Q68-K71 PolarHBondContact O-N 3.48Å; Q68-L72 WeakPolarHBondContact O-CB 3.35Å; Q68-L72 PolarHBondContact O-N 3Å
69G98.6Very high97.9Very high0 Ų072.4 Ų72.40%037%0.366CS..Hα-helixtrans-62.4-45.1175.400000112.9Y9 A65 T66 K71 L72 A73Y9-G69 WeakPolarHBondContact OH-CA 3.24Å; A65-G69 PolarHBondContact O-N 2.76Å; T66-G69 PolarHBondContact O-N 2.55Å; G69-K71 VanDerWaalsContact C-N 3.33Å; G69-K71 PolarHBondContact O-N 2.96Å; G69-L72 PolarHBondContact O-N 3.12Å; G69-A73 PolarHBondContact O-N 3.23Å
70Q98.6Very high97.9Very high90 Ų9068.6 Ų68.642%0.42135%0.35SS..Hα-helixtrans-60.8-41174.8-70.8176.90.400112.5T66 K74 Y81T66-Q70 HydrophobicContact CG2-CG 4.5Å; T66-Q70 WeakPolarHBondContact O-CG 2.97Å; T66-Q70 PolarHBondContact O-N 3.15Å; Q70-K74 WeakPolarHBondContact O-CG 3.43Å; Q70-K74 PolarHBondContact O-N 2.94Å; Q70-Y81 HydrophobicContact CB-CD1 4.34Å; Q70-Y81 HydrophobicContact CG-CD1 3.53Å; Q70-Y81 HydrophobicContact CG-CE1 4.09Å; Q70-Y81 HydrophobicContact CG-CG 4.4Å
71K98.6Very high97.9Very high131 Ų13161 Ų6157%0.5732%0.316SS*.Hα-helixtrans-63.9-48.5176.4-177.2179.1173.7-176.30110.6E67 Q68 G69 A73 K74 E75E67-K71 VanDerWaalsContact O-CB 3.28Å; E67-K71 WeakPolarHBondContact O-CB 3.42Å; E67-K71 PolarHBondContact O-N 2.79Å; Q68-K71 PolarHBondContact O-N 3.48Å; G69-K71 VanDerWaalsContact C-N 3.33Å; G69-K71 PolarHBondContact O-N 2.96Å; K71-A73 PolarHBondContact O-N 3.21Å; K71-K74 PolarHBondContact O-N 3.43Å; K71-E75 WeakPolarHBondContact CE-OE1 3.2Å; K71-E75 WeakPolarHBondContact O-CG 3.37Å; K71-E75 PolarHBondContact O-N 3.08Å
72L98.4Very high98Very high8 Ų859 Ų594%0.04231%0.307CS..Hα-helixtrans-59.8-45.7179.3-178.962.8000111.5F17 V20 R21 L39 Q68 G69 K74 E75 I76F17-L72 HydrophobicContact CD2-CD2 3.76Å; F17-L72 HydrophobicContact CE1-CD2 4.27Å; F17-L72 HydrophobicContact CE2-CB 3.92Å; F17-L72 HydrophobicContact CE2-CD2 3.29Å; F17-L72 HydrophobicContact CE2-CG 4.23Å; F17-L72 HydrophobicContact CG-CD2 4.45Å; F17-L72 HydrophobicContact CZ-CB 3.74Å; F17-L72 HydrophobicContact CZ-CD2 3.59Å; F17-L72 HydrophobicContact CZ-CG 4.23Å; V20-L72 HydrophobicContact CB-CD2 4.06Å; V20-L72 HydrophobicContact CG1-CD2 3.79Å; R21-L72 HydrophobicContact CB-CD1 4.11Å; L39-L72 HydrophobicContact CD2-CB 4.05Å; L39-L72 HydrophobicContact CD2-CD2 3.96Å; L39-L72 HydrophobicContact CD2-CG 3.96Å; Q68-L72 WeakPolarHBondContact O-CB 3.35Å; Q68-L72 PolarHBondContact O-N 3Å; G69-L72 PolarHBondContact O-N 3.12Å; L72-K74 PolarHBondContact O-N 3.3Å; L72-E75 WeakPolarHBondContact O-CB 3.02Å; L72-E75 PolarHBondContact O-N 3.33Å; L72-I76 HydrophobicContact CD1-CG2 3.6Å; L72-I76 HydrophobicContact CG-CD1 4.42Å; L72-I76 HydrophobicContact CG-CG2 4.13Å; L72-I76 VanDerWaalsContact O-CG1 3.32Å; L72-I76 WeakPolarHBondContact O-CG1 3.43Å; L72-I76 PolarHBondContact O-N 3.36Å
73A98.4Very high98Very high6 Ų653.1 Ų53.15%0.0528%0.282CS..Hα-helixtrans-54.9-40.6178.400000112.8L39 G69 K71 G77 A78 Y81L39-A73 HydrophobicContact CB-CB 4.17Å; L39-A73 HydrophobicContact CD2-CB 3.93Å; G69-A73 PolarHBondContact O-N 3.23Å; K71-A73 PolarHBondContact O-N 3.21Å; A73-G77 PolarHBondContact O-N 3.45Å; A73-G77 VanDerWaalsContact O-N 3.13Å; A73-A78 HydrophobicContact CB-CB 4.21Å; A73-A78 PolarHBondContact O-N 3.24Å; A73-Y81 HydrophobicContact CB-CG 4.48Å
74K98Very high98Very high172 Ų17252.2 Ų52.275%0.74828%0.277SS*.Hα-helixtrans-67.6-43.2175.4-68.1174-174.2173.80111.9Q70 K71 L72 G77Q70-K74 WeakPolarHBondContact O-CG 3.43Å; Q70-K74 PolarHBondContact O-N 2.94Å; K71-K74 PolarHBondContact O-N 3.43Å; L72-K74 PolarHBondContact O-N 3.3Å; K74-G77 PolarHBondContact O-N 3Å
75E97.6Very high98Very high107 Ų10751.8 Ų51.850%0.528%0.275SS..Hα-helixtrans-63.6-43.9-179.8-71.9176.2178.100112K71 L72 G77K71-E75 WeakPolarHBondContact CE-OE1 3.2Å; K71-E75 WeakPolarHBondContact O-CG 3.37Å; K71-E75 PolarHBondContact O-N 3.08Å; L72-E75 WeakPolarHBondContact O-CB 3.02Å; L72-E75 PolarHBondContact O-N 3.33Å; E75-G77 VanDerWaalsContact C-N 3.3Å; E75-G77 PolarHBondContact O-N 3.23Å
76I96.8Very high98Very high17 Ų1753.9 Ų53.99%0.08729%0.292CS..Hα-helixtrans-82.7-6.5-179.571.1-178.6000113V20 V25 Y37 L39 L72 A78V20-I76 HydrophobicContact CG1-CD1 3.93Å; V25-I76 HydrophobicContact CG1-CB 4.17Å; V25-I76 HydrophobicContact CG2-CB 4.15Å; V25-I76 HydrophobicContact CG2-CD1 3.77Å; V25-I76 HydrophobicContact CG2-CG1 4.42Å; V25-I76 HydrophobicContact CG2-CG2 4.31Å; Y37-I76 HydrophobicContact CE2-CD1 4.29Å; Y37-I76 HydrophobicContact CE2-CG1 4.26Å; Y37-I76 PolarHBondContact OH-O 3.42Å; L39-I76 HydrophobicContact CB-CD1 4.32Å; L39-I76 HydrophobicContact CD1-CD1 4.26Å; L39-I76 HydrophobicContact CD2-CD1 4.11Å; L39-I76 HydrophobicContact CG-CD1 4.47Å; L72-I76 HydrophobicContact CD1-CG2 3.6Å; L72-I76 HydrophobicContact CG-CD1 4.42Å; L72-I76 HydrophobicContact CG-CG2 4.13Å; L72-I76 VanDerWaalsContact O-CG1 3.32Å; L72-I76 WeakPolarHBondContact O-CG1 3.43Å; L72-I76 PolarHBondContact O-N 3.36Å; I76-A78 HydrophobicContact CD1-CB 4.18Å; I76-A78 HydrophobicContact CG1-CB 4.05Å
77G96.2Very high97.9Very high50 Ų5058.6 Ų58.652%0.51532%0.315SS..THydrogen-bonded Turntrans71.629.3-179.500000115A73 K74 E75A73-G77 PolarHBondContact O-N 3.45Å; A73-G77 VanDerWaalsContact O-N 3.13Å; K74-G77 PolarHBondContact O-N 3Å; E75-G77 VanDerWaalsContact C-N 3.3Å; E75-G77 PolarHBondContact O-N 3.23Å
78A97.4Very high97.9Very high17 Ų1756.4 Ų56.414%0.1431%0.311CS..  trans-64.8152.7171.800000111.2Y37 L39 A73 I76 C80Y37-A78 HydrophobicContact CD2-CB 3.99Å; Y37-A78 HydrophobicContact CE2-CB 3.91Å; L39-A78 HydrophobicContact CB-CB 4.13Å; A73-A78 HydrophobicContact CB-CB 4.21Å; A73-A78 PolarHBondContact O-N 3.24Å; I76-A78 HydrophobicContact CD1-CB 4.18Å; I76-A78 HydrophobicContact CG1-CB 4.05Å; A78-C80 VanDerWaalsContact C-N 3.33Å; A78-C80 PolarHBondContact O-N 3.06Å
79C95.9Very high97.8Very high74 Ų7459.2 Ų59.250%0.532%0.324SS..SBendtrans-61.8-41.7178.8-67.30000112.2P36 Y37 L38 A102P36-C79 VanDerWaalsContact CB-SG 3.53Å; Y37-C79 PolarHBondContact O-N 2.91Å; L38-C79 HydrophobicContact CD1-CB 4.49Å; C79-A102 HydrophobicContact CB-CB 4.39Å
80C96.1Very high97.8Very high29 Ų2965.9 Ų65.920%0.19635%0.353CS..  trans-158.2174.5175.162.40000110.5L39 A78 E98L39-C80 PolarHBondContact N-O 3.33Å; L39-C80 VanDerWaalsContact N-O 3.16Å; A78-C80 VanDerWaalsContact C-N 3.33Å; A78-C80 PolarHBondContact O-N 3.06Å; C80-E98 PolarHBondContact SG-OE2 2.99Å; C80-E98 VanDerWaalsContact SG-OE2 3.36Å
81Y98.6Very high97.8Very high38 Ų3862.5 Ų62.515%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-117.9129.9170.8176.7-116.6000109.2Y9 L39 T66 Q70 A73 E83Y9-Y81 AromaticContact CE1-CE2 3.92Å; Y9-Y81 HydrophobicContact CE1-CE2 3.92Å; Y9-Y81 PolarHBondContact OH-OH 3.26Å; L39-Y81 HydrophobicContact CB-CD2 4.15Å; L39-Y81 HydrophobicContact CD2-CD2 3.99Å; L39-Y81 HydrophobicContact CD2-CE2 4.35Å; L39-Y81 HydrophobicContact CG-CD2 3.92Å; L39-Y81 HydrophobicContact CG-CE2 4.29Å; L39-Y81 WeakPolarHBondContact O-CA 3.22Å; L39-Y81 WeakPolarHBondContact O-CD2 3.41Å; T66-Y81 HydrophobicContact CG2-CE1 4.13Å; Q70-Y81 HydrophobicContact CB-CD1 4.34Å; Q70-Y81 HydrophobicContact CG-CD1 3.53Å; Q70-Y81 HydrophobicContact CG-CE1 4.09Å; Q70-Y81 HydrophobicContact CG-CG 4.4Å; A73-Y81 HydrophobicContact CB-CG 4.48Å; Y81-E83 HydrophobicContact CE1-CG 3.69Å; Y81-E83 HydrophobicContact CE2-CG 4.48Å; Y81-E83 WeakPolarHBondContact OH-CG 3.49Å; Y81-E83 PolarHBondContact OH-OE1 3.22Å
82V98.5Very high97.7Very high14 Ų1458.8 Ų58.89%0.08533%0.328CS..EExtended strand (participates in β ladder)trans-129.8143.2176.7-173.30000109.2L39 I40 G41 T94 V95 E98L39-V82 PolarHBondContact O-N 3.12Å; I40-V82 CarbonylContact C-O 3.53Å; I40-V82 VanDerWaalsContact CA-O 3.25Å; I40-V82 WeakPolarHBondContact CA-O 3.32Å; G41-V82 PolarHBondContact N-O 3.32Å; V82-T94 HydrophobicContact CG1-CG2 3.96Å; V82-T94 HydrophobicContact CG2-CG2 4.45Å; V82-V95 HydrophobicContact CB-CG2 4.08Å; V82-V95 HydrophobicContact CG1-CG2 3.58Å; V82-E98 HydrophobicContact CG2-CB 4.33Å; V82-E98 HydrophobicContact CG2-CG 4.01Å
83E98.8Very high97.7Very high35 Ų3565.3 Ų65.316%0.16436%0.356CS..EExtended strand (participates in β ladder)trans-110.2138.9171.6-81.7-171.8-179.700110.4G41 I44 R47 T66 Y81G41-E83 CarbonylContact O-C 3.39Å; G41-E83 VanDerWaalsContact O-CA 3.26Å; G41-E83 WeakPolarHBondContact O-CA 3.49Å; I44-E83 HydrophobicContact CD1-CB 4.23Å; I44-E83 HydrophobicContact CG2-CB 3.73Å; I44-E83 HydrophobicContact CG2-CG 3.97Å; R47-E83 IonicContact CZ-OE1 3.42Å; R47-E83 IonicContact CZ-OE2 3.63Å; R47-E83 IonicContact NH1-OE1 3.28Å; R47-E83 PolarHBondContact NH1-OE1 3.27Å; R47-E83 IonicContact NH1-OE2 2.81Å; R47-E83 PolarHBondContact NH1-OE2 3.2Å; R47-E83 VanDerWaalsContact NH2-CD 3.35Å; R47-E83 IonicContact NH2-OE1 2.69Å; R47-E83 PolarHBondContact NH2-OE1 3.5Å; R47-E83 IonicContact NH2-OE2 3.55Å; T66-E83 VanDerWaalsContact CA-OE1 3.24Å; T66-E83 WeakPolarHBondContact CA-OE1 3.35Å; T66-E83 VanDerWaalsContact CB-OE1 3.32Å; T66-E83 WeakPolarHBondContact CB-OE1 3.45Å; T66-E83 VanDerWaalsContact OG1-CD 3.3Å; T66-E83 PolarHBondContact OG1-OE1 3.45Å; T66-E83 PolarHBondContact OG1-OE2 2.92Å; Y81-E83 HydrophobicContact CE1-CG 3.69Å; Y81-E83 HydrophobicContact CE2-CG 4.48Å; Y81-E83 WeakPolarHBondContact OH-CG 3.49Å; Y81-E83 PolarHBondContact OH-OE1 3.22Å
84C98.8Very high97.7Very high10 Ų1068.1 Ų68.17%0.06837%0.372CS..EExtended strand (participates in β ladder)trans-143.8157.9176.971.50000114.1G41 T42 Q43 I44 K90 L92 V95G41-C84 PolarHBondContact O-N 3.43Å; T42-C84 CarbonylContact C-O 3.44Å; T42-C84 WeakPolarHBondContact CA-O 3.32Å; Q43-C84 PolarHBondContact N-O 3.5Å; Q43-C84 VanDerWaalsContact N-O 3.08Å; I44-C84 PolarHBondContact N-O 3.45Å; C84-K90 CarbonylContact C-O 3.5Å; C84-K90 WeakPolarHBondContact CA-O 3.45Å; C84-K90 WeakPolarHBondContact CB-O 3.15Å; C84-L92 HydrophobicContact CB-CD2 4.16Å; C84-V95 HydrophobicContact CB-CG2 4.1Å
85S98.6Very high97.7Very high0 Ų060.2 Ų60.20%034%0.339CS..  trans-124.7119.4169.2166.50000107.8D45 L87 T88 Q89 K90D45-S85 WeakPolarHBondContact OD1-CB 3.35Å; D45-S85 PolarHBondContact OD1-OG 3.19Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact OG-N 2.89Å; S85-T88 WeakPolarHBondContact CB-OG1 3.41Å; S85-T88 PolarHBondContact OG-N 3.01Å; S85-T88 PolarHBondContact OG-OG1 2.95Å; S85-Q89 CarbonylContact O-C 3.43Å; S85-Q89 WeakPolarHBondContact O-CA 3.15Å; S85-Q89 PolarHBondContact O-N 2.87Å; S85-K90 PolarHBondContact N-O 2.95Å; S85-K90 PolarHBondContact O-N 2.63Å
86A97.6Very high97.6Very high78 Ų7861.4 Ų61.465%0.64534%0.343SS*.THydrogen-bonded Turntrans-67.2-34173.500000111.4
87L97.6Very high97.6Very high137 Ų13763.5 Ų63.572%0.71735%0.354SS*.THydrogen-bonded Turntrans-67.3-49.9-178.3179.463.1000112.1D45 S85 Q89D45-L87 WeakPolarHBondContact OD2-CD2 3.39Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact OG-N 2.89Å; L87-Q89 VanDerWaalsContact C-N 3.35Å
88T97.8Very high97.7Very high83 Ų8364 Ų6451%0.50934%0.343SS..THydrogen-bonded Turntrans-91.2-3.4-178.165.40000112.8D45 S85 K90D45-T88 HydrophobicContact CB-CG2 3.97Å; S85-T88 WeakPolarHBondContact CB-OG1 3.41Å; S85-T88 PolarHBondContact OG-N 3.01Å; S85-T88 PolarHBondContact OG-OG1 2.95Å; T88-K90 PolarHBondContact O-N 2.88Å; T88-K90 WeakPolarHBondContact OG1-CB 3.32Å
89Q97.8Very high97.6Very high148 Ų14863.8 Ų63.869%0.69234%0.341SS*.  trans60.43.8-172.9-52.8179.719.300115.2S85 L87 G91 L92S85-Q89 CarbonylContact O-C 3.43Å; S85-Q89 WeakPolarHBondContact O-CA 3.15Å; S85-Q89 PolarHBondContact O-N 2.87Å; L87-Q89 VanDerWaalsContact C-N 3.35Å; Q89-G91 PolarHBondContact O-N 3.13Å; Q89-L92 HydrophobicContact CB-CD1 4.13Å; Q89-L92 HydrophobicContact CG-CD1 4.31Å; Q89-L92 PolarHBondContact O-N 3.37Å
90K98.2Very high97.6Very high140 Ų14064.5 Ų64.561%0.60934%0.339SS*.THydrogen-bonded Turntrans-59.6129.1176.7-175.1175.5175.6-176.70109.9I44 C84 S85 T88 L92I44-K90 HydrophobicContact CD1-CB 4.45Å; I44-K90 HydrophobicContact CD1-CD 3.88Å; I44-K90 HydrophobicContact CD1-CG 4.11Å; C84-K90 CarbonylContact C-O 3.5Å; C84-K90 WeakPolarHBondContact CA-O 3.45Å; C84-K90 WeakPolarHBondContact CB-O 3.15Å; S85-K90 PolarHBondContact N-O 2.95Å; S85-K90 PolarHBondContact O-N 2.63Å; T88-K90 PolarHBondContact O-N 2.88Å; T88-K90 WeakPolarHBondContact OG1-CB 3.32Å; K90-L92 PolarHBondContact O-N 2.88Å
91G97.8Very high97.6Very high19 Ų1967.3 Ų67.320%0.19635%0.351CS..THydrogen-bonded Turntrans76.9-9174.800000116.3Q89 K93 T94 V95Q89-G91 PolarHBondContact O-N 3.13Å; G91-K93 PolarHBondContact O-N 3.03Å; G91-T94 WeakPolarHBondContact O-CB 3.26Å; G91-T94 PolarHBondContact O-N 3.41Å; G91-V95 PolarHBondContact O-N 3.49Å
92L97.7Very high97.3Very high53 Ų5366.5 Ų66.528%0.27735%0.352SS..Hα-helixtrans-60-46.7-179.6-72.2-179000112.2C84 Q89 K90 T94 V95 F96C84-L92 HydrophobicContact CB-CD2 4.16Å; Q89-L92 HydrophobicContact CB-CD1 4.13Å; Q89-L92 HydrophobicContact CG-CD1 4.31Å; Q89-L92 PolarHBondContact O-N 3.37Å; K90-L92 PolarHBondContact O-N 2.88Å; L92-T94 VanDerWaalsContact C-N 3.28Å; L92-T94 PolarHBondContact O-N 3.43Å; L92-V95 WeakPolarHBondContact O-CB 3.42Å; L92-V95 PolarHBondContact O-N 3.03Å; L92-F96 WeakPolarHBondContact O-CD2 3.26Å; L92-F96 PolarHBondContact O-N 3.44Å
93K97.6Very high97Very high144 Ų14469.6 Ų69.663%0.62637%0.367SS*.Hα-helixtrans-57.8-44.1177.5-171.1-174.1-176.5-59.30111.2G91 V95 F96 D97G91-K93 PolarHBondContact O-N 3.03Å; K93-V95 VanDerWaalsContact C-N 3.33Å; K93-V95 PolarHBondContact O-N 3.21Å; K93-F96 PolarHBondContact O-N 3.08Å; K93-D97 IonicContact NZ-OD1 2.63Å; K93-D97 PolarHBondContact NZ-OD1 2.58Å; K93-D97 IonicContact NZ-OD2 2.9Å; K93-D97 PolarHBondContact NZ-OD2 3.08Å; K93-D97 VanDerWaalsContact O-CG 3.26Å; K93-D97 PolarHBondContact O-N 3.33Å
94T97.9Very high96.6Very high65 Ų6574.3 Ų74.340%0.39939%0.393SS..Hα-helixtrans-60.9-40.2179.1-50.40000112V82 G91 L92 F96 D97 E98V82-T94 HydrophobicContact CG1-CG2 3.96Å; V82-T94 HydrophobicContact CG2-CG2 4.45Å; G91-T94 WeakPolarHBondContact O-CB 3.26Å; G91-T94 PolarHBondContact O-N 3.41Å; L92-T94 VanDerWaalsContact C-N 3.28Å; L92-T94 PolarHBondContact O-N 3.43Å; T94-F96 VanDerWaalsContact C-N 3.32Å; T94-F96 PolarHBondContact O-N 2.85Å; T94-D97 PolarHBondContact O-N 2.97Å; T94-E98 HydrophobicContact CG2-CG 4.13Å; T94-E98 WeakPolarHBondContact O-CB 3.39Å; T94-E98 VanDerWaalsContact O-CG 3.26Å; T94-E98 WeakPolarHBondContact O-CG 3.39Å; T94-E98 PolarHBondContact O-N 2.9Å
95V97.9Very high95.6Very high7 Ų776.1 Ų76.14%0.04241%0.409CS..Hα-helixtrans-55.7-48.3174.8166.10000111.2L6 I40 V82 C84 G91 L92 K93 A99L6-V95 HydrophobicContact CD1-CG1 3.99Å; I40-V95 HydrophobicContact CD1-CB 4.35Å; I40-V95 HydrophobicContact CD1-CG1 3.43Å; I40-V95 VanDerWaalsContact CD1-CG1 3.43Å; I40-V95 HydrophobicContact CD1-CG2 3.98Å; I40-V95 HydrophobicContact CG1-CG2 4.49Å; I40-V95 HydrophobicContact CG2-CG2 4.13Å; V82-V95 HydrophobicContact CB-CG2 4.08Å; V82-V95 HydrophobicContact CG1-CG2 3.58Å; C84-V95 HydrophobicContact CB-CG2 4.1Å; G91-V95 PolarHBondContact O-N 3.49Å; L92-V95 WeakPolarHBondContact O-CB 3.42Å; L92-V95 PolarHBondContact O-N 3.03Å; K93-V95 VanDerWaalsContact C-N 3.33Å; K93-V95 PolarHBondContact O-N 3.21Å; V95-A99 WeakPolarHBondContact O-CB 3.24Å; V95-A99 PolarHBondContact O-N 3.11Å
96F96.9Very high94.2Very high132 Ų13281.8 Ų81.858%0.57945%0.446SS*.Hα-helixtrans-70.9-40.9-179.2-68.8-72000112.6L92 K93 T94 E98 A99 I100L92-F96 WeakPolarHBondContact O-CD2 3.26Å; L92-F96 PolarHBondContact O-N 3.44Å; K93-F96 PolarHBondContact O-N 3.08Å; T94-F96 VanDerWaalsContact C-N 3.32Å; T94-F96 PolarHBondContact O-N 2.85Å; F96-E98 VanDerWaalsContact C-N 3.35Å; F96-E98 PolarHBondContact O-N 2.99Å; F96-A99 PolarHBondContact O-N 2.97Å; F96-I100 WeakPolarHBondContact O-CG1 3.44Å; F96-I100 PolarHBondContact O-N 2.99Å; F96-I100 VanDerWaalsContact O-N 3.12Å
97D96.9Very high92.3Very high61 Ų6185.6 Ų85.633%0.32645%0.448SS..Hα-helixtrans-59.6-46.3176.2-67.4-21.4000110.8K93 T94 A99 I100 I101K93-D97 IonicContact NZ-OD1 2.63Å; K93-D97 PolarHBondContact NZ-OD1 2.58Å; K93-D97 IonicContact NZ-OD2 2.9Å; K93-D97 PolarHBondContact NZ-OD2 3.08Å; K93-D97 VanDerWaalsContact O-CG 3.26Å; K93-D97 PolarHBondContact O-N 3.33Å; T94-D97 PolarHBondContact O-N 2.97Å; D97-A99 VanDerWaalsContact C-N 3.34Å; D97-A99 PolarHBondContact O-N 2.83Å; D97-I100 PolarHBondContact O-N 3.2Å; D97-I101 VanDerWaalsContact O-CG1 3.3Å; D97-I101 WeakPolarHBondContact O-CG1 3.37Å; D97-I101 PolarHBondContact O-N 2.85Å
98E97.1Very high90.4Very high61 Ų6190.6 Ų90.629%0.28546%0.457SS..Hα-helixtrans-67-34.4179.5-71.8-65.7142.600112.4L38 C80 V82 T94 F96 I100 I101 A102L38-E98 HydrophobicContact CD2-CB 3.56Å; C80-E98 PolarHBondContact SG-OE2 2.99Å; C80-E98 VanDerWaalsContact SG-OE2 3.36Å; V82-E98 HydrophobicContact CG2-CB 4.33Å; V82-E98 HydrophobicContact CG2-CG 4.01Å; T94-E98 HydrophobicContact CG2-CG 4.13Å; T94-E98 WeakPolarHBondContact O-CB 3.39Å; T94-E98 VanDerWaalsContact O-CG 3.26Å; T94-E98 WeakPolarHBondContact O-CG 3.39Å; T94-E98 PolarHBondContact O-N 2.9Å; F96-E98 VanDerWaalsContact C-N 3.35Å; F96-E98 PolarHBondContact O-N 2.99Å; E98-I100 VanDerWaalsContact C-N 3.33Å; E98-I100 PolarHBondContact O-N 3.47Å; E98-I101 PolarHBondContact O-N 3.13Å; E98-A102 WeakPolarHBondContact O-CB 3.35Å; E98-A102 PolarHBondContact O-N 3.36Å
99A96.2Very high87.8Confident12 Ų1296.2 Ų96.210%0.09947%0.474CS..Hα-helixtrans-62.7-41.417400000111.5V4 L6 L38 V95 F96 D97 A102 I103V4-A99 HydrophobicContact CG1-CB 4.22Å; L6-A99 HydrophobicContact CD2-CB 4.14Å; L38-A99 HydrophobicContact CD2-CB 4.49Å; V95-A99 WeakPolarHBondContact O-CB 3.24Å; V95-A99 PolarHBondContact O-N 3.11Å; F96-A99 PolarHBondContact O-N 2.97Å; D97-A99 VanDerWaalsContact C-N 3.34Å; D97-A99 PolarHBondContact O-N 2.83Å; A99-A102 PolarHBondContact O-N 2.92Å; A99-I103 PolarHBondContact O-N 2.92Å
100I96.1Very high85.3Confident89 Ų8999.9 Ų99.946%0.45649%0.488SS..Hα-helixtrans-66.6-42.3174.7-64.4165.2000110.4F96 D97 E98 A102 I103 L104F96-I100 WeakPolarHBondContact O-CG1 3.44Å; F96-I100 PolarHBondContact O-N 2.99Å; F96-I100 VanDerWaalsContact O-N 3.12Å; D97-I100 PolarHBondContact O-N 3.2Å; E98-I100 VanDerWaalsContact C-N 3.33Å; E98-I100 PolarHBondContact O-N 3.47Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 3.15Å; I100-I103 WeakPolarHBondContact O-CG1 3.35Å; I100-I103 PolarHBondContact O-N 2.82Å; I100-L104 HydrophobicContact CG2-CD1 3.65Å; I100-L104 HydrophobicContact CG2-CG 4.23Å; I100-L104 WeakPolarHBondContact O-CG 3.27Å; I100-L104 PolarHBondContact O-N 3.47Å; I100-L104 VanDerWaalsContact O-N 3.12Å
101I94.3Very high82.5Confident87 Ų8795.9 Ų95.945%0.44649%0.487SS..Hα-helixtrans-63-40.4177.7-69.3164.1000111D97 E98 I103 L104 A105D97-I101 VanDerWaalsContact O-CG1 3.3Å; D97-I101 WeakPolarHBondContact O-CG1 3.37Å; D97-I101 PolarHBondContact O-N 2.85Å; E98-I101 PolarHBondContact O-N 3.13Å; I101-I103 PolarHBondContact O-N 3.48Å; I101-L104 PolarHBondContact O-N 2.98Å; I101-A105 WeakPolarHBondContact O-CB 3.47Å; I101-A105 PolarHBondContact O-N 3.45Å
102A93.3Very high79.6Confident21 Ų21100.7 Ų100.717%0.17452%0.518CS..Hα-helixtrans-60.4-30-179.500000113.3V4 P36 L38 C79 E98 A99 I100V4-A102 HydrophobicContact CG2-CB 4.32Å; P36-A102 HydrophobicContact CB-CB 4.41Å; L38-A102 HydrophobicContact CD1-CB 3.82Å; C79-A102 HydrophobicContact CB-CB 4.39Å; E98-A102 WeakPolarHBondContact O-CB 3.35Å; E98-A102 PolarHBondContact O-N 3.36Å; A99-A102 PolarHBondContact O-N 2.92Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 3.15Å
103I92.8Very high76.8Confident79 Ų79106.9 Ų106.941%0.40555%0.547SS..Hα-helixtrans-89.1-31.6178.462.8168.6000113.1D3 V4 A99 I100 I101D3-I103 HydrophobicContact CB-CG2 3.91Å; D3-I103 WeakPolarHBondContact O-CG2 3.33Å; V4-I103 HydrophobicContact CB-CG2 3.8Å; V4-I103 HydrophobicContact CG1-CG2 4.17Å; A99-I103 PolarHBondContact O-N 2.92Å; I100-I103 WeakPolarHBondContact O-CG1 3.35Å; I100-I103 PolarHBondContact O-N 2.82Å; I101-I103 PolarHBondContact O-N 3.48Å
104L89.9Confident73.8Confident134 Ų134109.4 Ų109.470%0.70256%0.558SS**Hα-helixtrans-87.5-25.5-177.4-64-178.7000113.1I100 I101I100-L104 HydrophobicContact CG2-CD1 3.65Å; I100-L104 HydrophobicContact CG2-CG 4.23Å; I100-L104 WeakPolarHBondContact O-CG 3.27Å; I100-L104 PolarHBondContact O-N 3.47Å; I100-L104 VanDerWaalsContact O-N 3.12Å; I101-L104 PolarHBondContact O-N 2.98Å
105A78.6Confident71.4Confident48 Ų48117 Ų11740%0.39758%0.58SS.*SBendtrans-69.8135.8-17800000111.4I101 K107I101-A105 WeakPolarHBondContact O-CB 3.47Å; I101-A105 PolarHBondContact O-N 3.45Å; A105-K107 PolarHBondContact O-N 3.27Å
106P67.4Low68.5Low120 Ų120128.3 Ų128.378%0.77962%0.621SS**  trans-59.8125.6177.321-29.5000110.1R108P106-R108 PolarHBondContact O-N 3.21Å
107K59.6Low66.2Low158 Ų158130.3 Ų130.369%0.68764%0.637SS**  trans-52.5111.4179.8-67.1-164.5178.2-169.20109.4S34 A105 K109S34-K107 PolarHBondContact O-NZ 3.45Å; A105-K107 PolarHBondContact O-N 3.27Å; K107-K109 PolarHBondContact O-N 2.89Å
108R56.3Low63.4Low242 Ų242130.6 Ų130.691%0.91366%0.655SS**  trans-60.5108.3172.4-80.9-177.7156.6-179.4-4.3107.9P106 K110P106-R108 PolarHBondContact O-N 3.21Å; R108-K110 PolarHBondContact O-N 3Å
109K43.7Very low60.9Low201 Ų201133.9 Ų133.987%0.87468%0.681SS**  trans-57.5123.2171.3-71.7-172.4177.5-177.30107.9K107 G111K107-K109 PolarHBondContact O-N 2.89Å; K109-G111 PolarHBondContact O-N 2.96Å
110K45.7Very low58.3Low224 Ų224144.6 Ų144.697%0.97472%0.719SS**  trans-65.385.7166.9-74.6-176.1178.41770107.9R108R108-K110 PolarHBondContact O-N 3Å
111G39Very low55.5Low57 Ų57146.9 Ų146.959%0.58874%0.741SS**  trans-127.4112.7178.300000110.1K109K109-G111 PolarHBondContact O-N 2.96Å
112S36.8Very low53.3Low120 Ų120150.7 Ų150.784%0.83976%0.761SS**  trans9.8107.7161.946.40000117.3K114S112-K114 VanDerWaalsContact C-N 3.35Å; S112-K114 PolarHBondContact O-N 3.06Å
113M38.1Very low50.8Low183 Ų183156 Ų15690%0.90179%0.786SS**  trans-64.687.4169.7-177.215453.300111
114K35.4Very low48.3Very low196 Ų196158.2 Ų158.285%0.85281%0.807SS**  trans-87.1110.2154.8-101.2-178.2176.51770107.9S112 R116S112-K114 VanDerWaalsContact C-N 3.35Å; S112-K114 PolarHBondContact O-N 3.06Å; K114-R116 PolarHBondContact O-N 3.16Å
115R47Very low46Very low226 Ų226157.8 Ų157.885%0.85381%0.814SS**  trans-52121173-57.8179.1-153.2-173.95.4109.3
116R36.8Very low44.3Very low243 Ų243161.8 Ų161.892%0.91783%0.828SS**  trans-131.4113.9151.6-71.9-165-175.8-159.52.8107.3K114K114-R116 PolarHBondContact O-N 3.16Å
117L49.7Very low43Very low175 Ų175164.3 Ų164.392%0.91683%0.834SS**  trans-62.8130.2171.2-83.185.4000108.9
118G37.5Very low41.8Very low67 Ų67166.9 Ų166.969%0.69186%0.863SS**  trans-170.4129.4170.500000109.5R120G118-R120 PolarHBondContact O-N 3.36Å
119P45.3Very low41.1Very low130 Ų130163.2 Ų163.284%0.84486%0.86SS**  trans-91.9109.7-162.634.1-29.3000110.9
120R40.3Very low41Very low237 Ų237161.2 Ų161.289%0.89486%0.86SS**  trans-138.794.7154.9-75-166176-164.6-2.2109.8G118G118-R120 PolarHBondContact O-N 3.36Å
121C38.2Very low40.7Very low136 Ų136157.7 Ų157.792%0.91985%0.853SS**  trans3189.4152.1-56.50000117.1
122I47.4Very low40.8Very low167 Ų167163.6 Ų163.686%0.85687%0.869SS**  trans-95.3105.8157.1-56.9157.3000104.8
123N40.5Very low41Very low132 Ų132166.3 Ų166.371%0.70687%0.871SS**  trans-144.590.1166.4-126.210.9000109.9
124C40.2Very low41.2Very low126 Ų126165.2 Ų165.285%0.85187%0.869SS**SBendtrans-145.343.2158.8-159.10000109.8
125C43.3Very low41.7Very low125 Ų125163 Ų16385%0.84587%0.87SS**SBendtrans-136.89.8168.7-92.70000113.9
126L41.4Very low41.2Very low133 Ų133158.2 Ų158.270%0.69687%0.871SS**  trans-138.895.3174.7-71.6169000109.7
127I40.6Very low41.6Very low173 Ų173151.1 Ų151.189%0.88787%0.867SS**  trans-13187151.3-52.1178.5000106.5
128T35Very low40.9Very low212 Ų212148.9 Ų148.9100%1.30186%0.863SS**  trans-142.40136.43.60000106.6

Retrieved 128 of 128 residues in 43.8 ms (Link to these results)

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