TCTP_SCHMA Loading...

Translationally-controlled tumor protein homolog

Involved in calcium binding and microtubule stabilization.

AlphaFold DB , UniProt , Accession Q95WA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene TCTP, Length 166 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
1M86.6Confident95.6Very high172 Ų17260.5 Ų60.585%0.84730%0.3SS*.  0105.30-168.1175.280.800107.2V3 T15 D16M1-V3 HydrophobicContact CE-CG2 4.12Å; M1-T15 HydrophobicContact SD-CG2 4.44Å; M1-D16 VanDerWaalsContact CA-OD1 3.23Å; M1-D16 WeakPolarHBondContact CA-OD1 3.4Å; M1-D16 VanDerWaalsContact CA-OD2 3.31Å; M1-D16 WeakPolarHBondContact CA-OD2 3.13Å; M1-D16 WeakPolarHBondContact CG-OD1 3.27Å
2I94Very high95.6Very high95 Ų9562.8 Ų62.849%0.48731%0.309SS..  trans-85.9133.1171.1-59170.6000106.8Y4 T15 D16I2-Y4 HydrophobicContact CB-CE2 4.37Å; I2-Y4 HydrophobicContact CG2-CD2 4.3Å; I2-Y4 HydrophobicContact CG2-CE1 4.45Å; I2-Y4 HydrophobicContact CG2-CE2 3.9Å; I2-T15 CarbonylContact O-C 3.55Å; I2-T15 VanDerWaalsContact O-CA 3.28Å; I2-T15 WeakPolarHBondContact O-CA 3.12Å; I2-T15 WeakPolarHBondContact O-CB 3.38Å; I2-D16 HydrophobicContact CB-CB 4.02Å; I2-D16 PolarHBondContact N-OD1 2.63Å; I2-D16 VanDerWaalsContact N-OD1 3.14Å; I2-D16 PolarHBondContact N-OD2 3.26Å; I2-D16 PolarHBondContact O-N 2.92Å
3V96.4Very high95.8Very high40 Ų4058.1 Ų58.124%0.24229%0.286CS..EExtended strand (participates in β ladder)trans-109.5122.6175.7-177.60000106.7M1 K5 E12 T15M1-V3 HydrophobicContact CE-CG2 4.12Å; V3-K5 HydrophobicContact CG1-CG 4.15Å; V3-E12 HydrophobicContact CG1-CB 4.02Å; V3-E12 VanDerWaalsContact CG1-CD 3.44Å; V3-E12 HydrophobicContact CG1-CG 3.44Å; V3-E12 VanDerWaalsContact CG1-CG 3.44Å; V3-T15 HydrophobicContact CG2-CG2 4.19Å
4Y98Very high95.9Very high34 Ų3454 Ų5413%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-94122.5177.8-65.4-93.8000108.9I2 M13 F14 D16 P20 Y28 L165I2-Y4 HydrophobicContact CB-CE2 4.37Å; I2-Y4 HydrophobicContact CG2-CD2 4.3Å; I2-Y4 HydrophobicContact CG2-CE1 4.45Å; I2-Y4 HydrophobicContact CG2-CE2 3.9Å; Y4-M13 PolarHBondContact O-N 2.87Å; Y4-F14 HydrophobicContact CD1-CE2 4.09Å; Y4-F14 AromaticContact CD1-CZ 3.92Å; Y4-F14 HydrophobicContact CD1-CZ 3.92Å; Y4-F14 AromaticContact CD2-CD2 3.52Å; Y4-F14 HydrophobicContact CD2-CD2 3.52Å; Y4-F14 AromaticContact CD2-CE2 3.13Å; Y4-F14 HydrophobicContact CD2-CE2 3.13Å; Y4-F14 HydrophobicContact CD2-CG 4.41Å; Y4-F14 AromaticContact CD2-CZ 3.78Å; Y4-F14 HydrophobicContact CD2-CZ 3.78Å; Y4-F14 HydrophobicContact CE1-CE2 4.43Å; Y4-F14 HydrophobicContact CE1-CZ 4.48Å; Y4-F14 HydrophobicContact CE2-CD2 4.16Å; Y4-F14 AromaticContact CE2-CE2 3.57Å; Y4-F14 HydrophobicContact CE2-CE2 3.57Å; Y4-F14 HydrophobicContact CE2-CZ 4.36Å; Y4-F14 HydrophobicContact CG-CD2 4.03Å; Y4-F14 HydrophobicContact CG-CE1 4.21Å; Y4-F14 AromaticContact CG-CE2 3.42Å; Y4-F14 HydrophobicContact CG-CE2 3.42Å; Y4-F14 VanDerWaalsContact CG-CE2 3.42Å; Y4-F14 AromaticContact CG-CZ 3.53Å; Y4-F14 HydrophobicContact CG-CZ 3.53Å; Y4-F14 PolarHBondContact N-O 3.05Å; Y4-F14 PolarHBondContact O-N 2.98Å; Y4-D16 HydrophobicContact CE2-CB 4.35Å; Y4-P20 HydrophobicContact CE2-CG 4.22Å; Y4-Y28 HydrophobicContact CD1-CE2 4.2Å; Y4-Y28 AromaticContact CE1-CE2 3.94Å; Y4-Y28 HydrophobicContact CE1-CE2 3.94Å; Y4-Y28 AromaticContact CE1-CZ 3.93Å; Y4-L165 HydrophobicContact CD1-CB 4.49Å; Y4-L165 HydrophobicContact CD1-CD1 4.2Å
5K97.9Very high95.9Very high79 Ų7951.3 Ų51.334%0.34325%0.253SS..EExtended strand (participates in β ladder)trans-117.4148.2-175.4-61.5176.1174.4-167.10111.7V3 M7 D11 L165 T166V3-K5 HydrophobicContact CG1-CG 4.15Å; K5-M7 PolarHBondContact O-N 2.66Å; K5-D11 CarbonylContact C-O 3.53Å; K5-D11 WeakPolarHBondContact CA-O 3.28Å; K5-D11 WeakPolarHBondContact CB-O 3.42Å; K5-L165 CarbonylContact O-C 3.48Å; K5-L165 WeakPolarHBondContact O-CA 3.48Å; K5-L165 WeakPolarHBondContact O-CD2 3.43Å; K5-T166 PolarHBondContact N-O 3.2Å; K5-T166 PolarHBondContact O-N 2.78Å
6D98.3Very high95.8Very high1 Ų151.4 Ų51.41%0.00526%0.255CS..BIsolated β-bridgetrans-64.2133.2170179.9-85.7000109.5I8 T9 E10 D11 M13 M143D6-I8 PolarHBondContact O-N 3.35Å; D6-I8 VanDerWaalsContact OD1-CA 3.31Å; D6-I8 WeakPolarHBondContact OD1-CA 3.21Å; D6-I8 VanDerWaalsContact OD1-CB 3.24Å; D6-I8 WeakPolarHBondContact OD1-CB 3.41Å; D6-I8 PolarHBondContact OD1-N 2.79Å; D6-T9 WeakPolarHBondContact CB-OG1 3.42Å; D6-T9 PolarHBondContact OD1-N 2.79Å; D6-T9 PolarHBondContact OD1-OG1 2.79Å; D6-E10 WeakPolarHBondContact O-CA 3.46Å; D6-E10 PolarHBondContact O-N 3.38Å; D6-D11 WeakPolarHBondContact CB-OD1 3.44Å; D6-D11 PolarHBondContact N-O 2.73Å; D6-M13 HydrophobicContact CB-CG 4.05Å; D6-M13 HydrophobicContact CB-SD 3.93Å; D6-M143 WeakPolarHBondContact OD2-CB 3.38Å; D6-M143 PolarHBondContact OD2-N 2.92Å
7M96.4Very high95.6Very high31 Ų3153.3 Ų53.315%0.15328%0.275CS..THydrogen-bonded Turntrans-72.4-11.3-174.971178161.700115.4K5 Y93 T96 I97 R100 G164 T166K5-M7 PolarHBondContact O-N 2.66Å; M7-Y93 HydrophobicContact CE-CE2 4.27Å; M7-T96 HydrophobicContact CE-CG2 3.87Å; M7-I97 HydrophobicContact CE-CD1 3.41Å; M7-I97 VanDerWaalsContact CE-CD1 3.41Å; M7-I97 HydrophobicContact CE-CG1 4.1Å; M7-R100 WeakPolarHBondContact SD-CD 3.46Å; M7-R100 PolarHBondContact SD-NH1 2.66Å; M7-G164 WeakPolarHBondContact CB-O 3.49Å; M7-G164 WeakPolarHBondContact CG-O 3.48Å; M7-G164 PolarHBondContact N-O 3.3Å; M7-T166 HydrophobicContact CB-CG2 4.08Å
8I96.7Very high95.5Very high59 Ų5952.7 Ų52.730%0.30327%0.271SS..THydrogen-bonded Turntrans-100.7-46.8-178-59.9177.4000109.1D6 Y93 T96 D141D6-I8 PolarHBondContact O-N 3.35Å; D6-I8 VanDerWaalsContact OD1-CA 3.31Å; D6-I8 WeakPolarHBondContact OD1-CA 3.21Å; D6-I8 VanDerWaalsContact OD1-CB 3.24Å; D6-I8 WeakPolarHBondContact OD1-CB 3.41Å; D6-I8 PolarHBondContact OD1-N 2.79Å; I8-Y93 HydrophobicContact CD1-CD2 4.34Å; I8-Y93 HydrophobicContact CD1-CE2 3.9Å; I8-T96 HydrophobicContact CD1-CG2 4.03Å; I8-T96 HydrophobicContact CG1-CG2 4.48Å; I8-D141 WeakPolarHBondContact CD1-O 3.49Å
9T96.8Very high95.4Very high32 Ų3255.2 Ų55.220%0.19629%0.292CS..THydrogen-bonded Turntrans-96-15-176.8360000114.3D6 D11 P137 N139 A142D6-T9 WeakPolarHBondContact CB-OG1 3.42Å; D6-T9 PolarHBondContact OD1-N 2.79Å; D6-T9 PolarHBondContact OD1-OG1 2.79Å; T9-D11 WeakPolarHBondContact CB-OD1 3.4Å; T9-D11 PolarHBondContact O-N 2.66Å; T9-D11 VanDerWaalsContact O-N 3.09Å; T9-D11 PolarHBondContact OG1-OD1 2.84Å; T9-P137 HydrophobicContact CG2-CB 3.96Å; T9-P137 HydrophobicContact CG2-CG 4.25Å; T9-N139 HydrophobicContact CG2-CB 3.49Å; T9-N139 VanDerWaalsContact CG2-CB 3.49Å; T9-A142 HydrophobicContact CG2-CB 3.91Å
10E95.7Very high95.4Very high101 Ų10153.8 Ų53.847%0.47229%0.286SS..  trans57.714.7-176.9-65.6-71.5131.300114D6D6-E10 WeakPolarHBondContact O-CA 3.46Å; D6-E10 PolarHBondContact O-N 3.38Å
11D94.8Very high95.5Very high22 Ų2256.7 Ų56.712%0.11829%0.293CS..  trans-79.3147.2173.862.7-34.9000110.9K5 D6 T9 M13 G135 P137K5-D11 CarbonylContact C-O 3.53Å; K5-D11 WeakPolarHBondContact CA-O 3.28Å; K5-D11 WeakPolarHBondContact CB-O 3.42Å; D6-D11 WeakPolarHBondContact CB-OD1 3.44Å; D6-D11 PolarHBondContact N-O 2.73Å; T9-D11 WeakPolarHBondContact CB-OD1 3.4Å; T9-D11 PolarHBondContact O-N 2.66Å; T9-D11 VanDerWaalsContact O-N 3.09Å; T9-D11 PolarHBondContact OG1-OD1 2.84Å; D11-M13 PolarHBondContact O-N 3.48Å; D11-G135 VanDerWaalsContact OD2-CA 3.3Å; D11-G135 WeakPolarHBondContact OD2-CA 3.42Å; D11-P137 HydrophobicContact CB-CG 4.37Å; D11-P137 WeakPolarHBondContact OD2-CD 3.39Å
12E95.9Very high96.1Very high87 Ų8752.2 Ų52.241%0.40728%0.275SS..EExtended strand (participates in β ladder)trans-70.5124.4-180177.2170.1163.200110.6V3 T15 N74V3-E12 HydrophobicContact CG1-CB 4.02Å; V3-E12 VanDerWaalsContact CG1-CD 3.44Å; V3-E12 HydrophobicContact CG1-CG 3.44Å; V3-E12 VanDerWaalsContact CG1-CG 3.44Å; E12-T15 WeakPolarHBondContact OE1-CG2 3.37Å; E12-N74 PolarHBondContact O-ND2 2.93Å
13M97.5Very high96.2Very high2 Ų249.5 Ų49.51%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-98.2-42.8179.8-57.4-55.2-73.900111.7Y4 D6 D11 N74 F76 V145 F160 L165Y4-M13 PolarHBondContact O-N 2.87Å; D6-M13 HydrophobicContact CB-CG 4.05Å; D6-M13 HydrophobicContact CB-SD 3.93Å; D11-M13 PolarHBondContact O-N 3.48Å; M13-N74 PolarHBondContact O-ND2 2.95Å; M13-F76 HydrophobicContact CB-CZ 4.38Å; M13-F76 HydrophobicContact CE-CE1 3.71Å; M13-F76 HydrophobicContact CE-CZ 3.78Å; M13-F76 VanDerWaalsContact O-CZ 3.29Å; M13-F76 WeakPolarHBondContact O-CZ 3.13Å; M13-F76 HydrophobicContact SD-CE1 3.9Å; M13-F76 HydrophobicContact SD-CZ 4.24Å; M13-V145 HydrophobicContact CE-CG2 3.23Å; M13-F160 HydrophobicContact CB-CD1 4.23Å; M13-F160 HydrophobicContact CB-CE1 3.91Å; M13-F160 HydrophobicContact CE-CD1 4.27Å; M13-F160 HydrophobicContact CE-CE1 4.01Å; M13-L165 HydrophobicContact CB-CD2 4.07Å; M13-L165 HydrophobicContact CG-CD2 3.74Å
14F97.5Very high96Very high1 Ų149.2 Ų49.20%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-167.4175.2172.861.4-86.9000110.2Y4 P20 Y28 V30 L70 F160 L165Y4-F14 HydrophobicContact CD1-CE2 4.09Å; Y4-F14 AromaticContact CD1-CZ 3.92Å; Y4-F14 HydrophobicContact CD1-CZ 3.92Å; Y4-F14 AromaticContact CD2-CD2 3.52Å; Y4-F14 HydrophobicContact CD2-CD2 3.52Å; Y4-F14 AromaticContact CD2-CE2 3.13Å; Y4-F14 HydrophobicContact CD2-CE2 3.13Å; Y4-F14 HydrophobicContact CD2-CG 4.41Å; Y4-F14 AromaticContact CD2-CZ 3.78Å; Y4-F14 HydrophobicContact CD2-CZ 3.78Å; Y4-F14 HydrophobicContact CE1-CE2 4.43Å; Y4-F14 HydrophobicContact CE1-CZ 4.48Å; Y4-F14 HydrophobicContact CE2-CD2 4.16Å; Y4-F14 AromaticContact CE2-CE2 3.57Å; Y4-F14 HydrophobicContact CE2-CE2 3.57Å; Y4-F14 HydrophobicContact CE2-CZ 4.36Å; Y4-F14 HydrophobicContact CG-CD2 4.03Å; Y4-F14 HydrophobicContact CG-CE1 4.21Å; Y4-F14 AromaticContact CG-CE2 3.42Å; Y4-F14 HydrophobicContact CG-CE2 3.42Å; Y4-F14 VanDerWaalsContact CG-CE2 3.42Å; Y4-F14 AromaticContact CG-CZ 3.53Å; Y4-F14 HydrophobicContact CG-CZ 3.53Å; Y4-F14 PolarHBondContact N-O 3.05Å; Y4-F14 PolarHBondContact O-N 2.98Å; F14-P20 HydrophobicContact CE2-CB 3.74Å; F14-P20 HydrophobicContact CE2-CG 3.88Å; F14-P20 HydrophobicContact CZ-CB 4.26Å; F14-Y28 HydrophobicContact CZ-CD2 4.03Å; F14-Y28 HydrophobicContact CZ-CG 4.15Å; F14-V30 HydrophobicContact CD1-CG2 4.35Å; F14-V30 HydrophobicContact CD2-CG2 3.86Å; F14-V30 HydrophobicContact CE1-CG2 4.39Å; F14-V30 HydrophobicContact CE2-CG2 3.92Å; F14-V30 HydrophobicContact CG-CG2 4.1Å; F14-V30 HydrophobicContact CZ-CG2 4.2Å; F14-L70 HydrophobicContact CB-CD1 3.83Å; F14-F160 HydrophobicContact CD1-CD1 4.14Å; F14-F160 AromaticContact CD1-CD2 3.86Å; F14-F160 HydrophobicContact CD1-CD2 3.86Å; F14-F160 AromaticContact CD1-CE1 3.94Å; F14-F160 HydrophobicContact CD1-CE1 3.94Å; F14-F160 AromaticContact CD1-CE2 3.65Å; F14-F160 HydrophobicContact CD1-CE2 3.65Å; F14-F160 HydrophobicContact CD1-CG 4.11Å; F14-F160 AromaticContact CD1-CZ 3.7Å; F14-F160 HydrophobicContact CD1-CZ 3.7Å; F14-F160 HydrophobicContact CE1-CB 4.19Å; F14-F160 HydrophobicContact CE1-CD1 4.05Å; F14-F160 AromaticContact CE1-CD2 3.59Å; F14-F160 HydrophobicContact CE1-CD2 3.59Å; F14-F160 HydrophobicContact CE1-CE1 4.32Å; F14-F160 AromaticContact CE1-CE2 3.89Å; F14-F160 HydrophobicContact CE1-CE2 3.89Å; F14-F160 AromaticContact CE1-CG 3.68Å; F14-F160 HydrophobicContact CE1-CG 3.68Å; F14-F160 HydrophobicContact CE1-CZ 4.26Å; F14-F160 HydrophobicContact CZ-CD2 4.49Å; F14-L165 HydrophobicContact CE1-CD1 3.5Å; F14-L165 HydrophobicContact CZ-CD1 3.74Å
15T96.2Very high95.8Very high13 Ų1350.2 Ų50.28%0.0827%0.273CS..EExtended strand (participates in β ladder)trans-119163.6174.864.30000112M1 I2 V3 E12 S17 H18M1-T15 HydrophobicContact SD-CG2 4.44Å; I2-T15 CarbonylContact O-C 3.55Å; I2-T15 VanDerWaalsContact O-CA 3.28Å; I2-T15 WeakPolarHBondContact O-CA 3.12Å; I2-T15 WeakPolarHBondContact O-CB 3.38Å; V3-T15 HydrophobicContact CG2-CG2 4.19Å; E12-T15 WeakPolarHBondContact OE1-CG2 3.37Å; T15-S17 PolarHBondContact O-N 3.42Å; T15-S17 PolarHBondContact OG1-OG 2.84Å; T15-H18 WeakPolarHBondContact O-CB 3.29Å; T15-H18 PolarHBondContact O-N 2.83Å; T15-H18 VanDerWaalsContact O-N 3.07Å
16D94.3Very high95.7Very high53 Ų5346.5 Ų46.528%0.28326%0.256SS..G310 helixtrans-56.6-18.317458.6-9000114.4M1 I2 Y4 H18 C19M1-D16 VanDerWaalsContact CA-OD1 3.23Å; M1-D16 WeakPolarHBondContact CA-OD1 3.4Å; M1-D16 VanDerWaalsContact CA-OD2 3.31Å; M1-D16 WeakPolarHBondContact CA-OD2 3.13Å; M1-D16 WeakPolarHBondContact CG-OD1 3.27Å; I2-D16 HydrophobicContact CB-CB 4.02Å; I2-D16 PolarHBondContact N-OD1 2.63Å; I2-D16 VanDerWaalsContact N-OD1 3.14Å; I2-D16 PolarHBondContact N-OD2 3.26Å; I2-D16 PolarHBondContact O-N 2.92Å; Y4-D16 HydrophobicContact CE2-CB 4.35Å; D16-H18 PolarHBondContact O-N 2.86Å; D16-C19 PolarHBondContact O-N 3.5Å
17S92.9Very high95.7Very high84 Ų8446.4 Ų46.459%0.58726%0.256SS*.G310 helixtrans-60-22.7173.572.60000113.9T15 C19T15-S17 PolarHBondContact O-N 3.42Å; T15-S17 PolarHBondContact OG1-OG 2.84Å; S17-C19 VanDerWaalsContact C-N 3.26Å; S17-C19 PolarHBondContact O-N 3.26Å
18H93Very high95.8Very high43 Ų4346.5 Ų46.520%0.19926%0.255CS..G310 helixtrans-81.1-0.7175-80.4-82.1000114T15 D16 V30 D31T15-H18 WeakPolarHBondContact O-CB 3.29Å; T15-H18 PolarHBondContact O-N 2.83Å; T15-H18 VanDerWaalsContact O-N 3.07Å; D16-H18 PolarHBondContact O-N 2.86Å; H18-V30 HydrophobicContact CB-CG1 3.51Å; H18-V30 HydrophobicContact CB-CG2 4.36Å; H18-D31 PolarHBondContact ND1-O 2.97Å
19C93.5Very high95.9Very high100 Ų10044.6 Ų44.668%0.67625%0.245SC*.  trans49.958.8177.7-63.50000113.1D16 S17 R21D16-C19 PolarHBondContact O-N 3.5Å; S17-C19 VanDerWaalsContact C-N 3.26Å; S17-C19 PolarHBondContact O-N 3.26Å; C19-R21 PolarHBondContact O-N 2.9Å
20P96.4Very high96Very high27 Ų2743 Ų4318%0.17524%0.235CC..PPolyproline II helixtrans-60.1131.4-17328.9-38.8000111.7Y4 F14 Y28 V30Y4-P20 HydrophobicContact CE2-CG 4.22Å; F14-P20 HydrophobicContact CE2-CB 3.74Å; F14-P20 HydrophobicContact CE2-CG 3.88Å; F14-P20 HydrophobicContact CZ-CB 4.26Å; P20-Y28 HydrophobicContact CB-CD1 3.73Å; P20-Y28 HydrophobicContact CB-CE1 4.37Å; P20-Y28 HydrophobicContact CB-CG 4.18Å; P20-Y28 HydrophobicContact CG-CD1 4.33Å; P20-Y28 HydrophobicContact CG-CE1 4.49Å; P20-V30 HydrophobicContact CB-CG2 3.79Å
21R97.5Very high96.1Very high115 Ų11541.2 Ų41.243%0.43423%0.229SC..EExtended strand (participates in β ladder)trans-89.1128.4174.2-58.1-167.8-56.4-147.514109.7C19 V23 Y28 E29 D31C19-R21 PolarHBondContact O-N 2.9Å; R21-V23 PolarHBondContact O-N 3.46Å; R21-Y28 CarbonylContact O-C 3.58Å; R21-Y28 WeakPolarHBondContact O-CA 3.41Å; R21-E29 PolarHBondContact N-O 2.87Å; R21-E29 IonicContact NH2-OE2 3.59Å; R21-E29 PolarHBondContact NH2-OE2 2.92Å; R21-E29 PolarHBondContact O-N 3.09Å; R21-D31 IonicContact NH1-OD2 2.76Å
22V97.3Very high96.1Very high77 Ų7740.6 Ų40.647%0.46723%0.226SC..EExtended strand (participates in β ladder)trans-78.1123.4172.4179.90000109.1F27 Y28 K162V22-F27 WeakPolarHBondContact CA-O 3.47Å; V22-Y28 HydrophobicContact CG2-CD1 3.95Å; V22-Y28 HydrophobicContact CG2-CE1 3.53Å; V22-K162 HydrophobicContact CG1-CD 4.34Å; V22-K162 HydrophobicContact CG2-CD 4.5Å
23V96.9Very high96.1Very high38 Ų3844.7 Ų44.723%0.2324%0.238CC..EExtended strand (participates in β ladder)trans-117.8129.2177.3-177.40000109.6R21 D25 F26 F27 E29 Y119R21-V23 PolarHBondContact O-N 3.46Å; V23-D25 PolarHBondContact O-N 2.77Å; V23-F26 PolarHBondContact O-N 2.89Å; V23-F27 HydrophobicContact CB-CB 4.32Å; V23-F27 PolarHBondContact N-O 3.02Å; V23-F27 PolarHBondContact O-N 3.03Å; V23-E29 HydrophobicContact CB-CG 4.43Å; V23-E29 HydrophobicContact CG2-CB 4.22Å; V23-E29 HydrophobicContact CG2-CG 3.7Å; V23-Y119 HydrophobicContact CG1-CD2 4.21Å; V23-Y119 HydrophobicContact CG1-CE2 3.83Å
24A92.4Very high96Very high35 Ų3547.8 Ų47.829%0.28925%0.251SS..THydrogen-bonded Turntrans55.719.2177.700000115.3F26 F27 Q115A24-F26 WeakPolarHBondContact O-CD2 3.33Å; A24-F26 PolarHBondContact O-N 3.35Å; A24-F27 HydrophobicContact CB-CD2 4.35Å; A24-Q115 HydrophobicContact CB-CB 4.38Å
25D93Very high95.7Very high55 Ų5550.4 Ų50.429%0.29427%0.267SS..THydrogen-bonded Turntrans69.2-13.9-173.1-164.737.8000116.4V23 K108 K162V23-D25 PolarHBondContact O-N 2.77Å; D25-K108 IonicContact OD1-NZ 3.92Å; D25-K108 WeakPolarHBondContact OD2-CE 3.04Å; D25-K108 IonicContact OD2-NZ 3.38Å; D25-K108 PolarHBondContact OD2-NZ 2.89Å; D25-K162 WeakPolarHBondContact O-CD 3.34Å; D25-K162 PolarHBondContact O-NZ 3.03Å; D25-K162 IonicContact OD1-NZ 3.59Å; D25-K162 PolarHBondContact OD1-NZ 3.27Å
26F96.6Very high95.5Very high0 Ų054.1 Ų54.10%029%0.29CS..THydrogen-bonded Turntrans-115.4-6.8-172.6-60.5-73.3000115V23 A24 L101 K108 L111 L112 Q115 K162 D163V23-F26 PolarHBondContact O-N 2.89Å; A24-F26 WeakPolarHBondContact O-CD2 3.33Å; A24-F26 PolarHBondContact O-N 3.35Å; F26-L101 HydrophobicContact CE1-CD1 4.38Å; F26-K108 HydrophobicContact CE1-CB 4.23Å; F26-K108 HydrophobicContact CE1-CD 4.42Å; F26-K108 HydrophobicContact CZ-CB 4.33Å; F26-L111 HydrophobicContact CE2-CB 4.27Å; F26-L111 HydrophobicContact CE2-CD2 4Å; F26-L111 HydrophobicContact CE2-CG 3.77Å; F26-L111 HydrophobicContact CZ-CB 4.03Å; F26-L111 HydrophobicContact CZ-CD2 4.05Å; F26-L111 HydrophobicContact CZ-CG 3.97Å; F26-L112 HydrophobicContact CB-CD1 4.07Å; F26-L112 HydrophobicContact CD1-CB 4.11Å; F26-L112 HydrophobicContact CD1-CD1 3.3Å; F26-L112 HydrophobicContact CD1-CG 4.31Å; F26-L112 HydrophobicContact CE1-CB 3.73Å; F26-L112 HydrophobicContact CE1-CD1 3.84Å; F26-L112 HydrophobicContact CE1-CG 4.42Å; F26-L112 HydrophobicContact CG-CD1 3.69Å; F26-L112 HydrophobicContact CZ-CB 4.01Å; F26-L112 VanDerWaalsContact CZ-N 3.34Å; F26-Q115 HydrophobicContact CD2-CB 3.6Å; F26-Q115 HydrophobicContact CD2-CG 4.04Å; F26-Q115 HydrophobicContact CE2-CB 3.88Å; F26-Q115 HydrophobicContact CE2-CG 3.86Å; F26-K162 WeakPolarHBondContact O-CB 3.28Å; F26-K162 PolarHBondContact O-N 3.06Å; F26-D163 WeakPolarHBondContact CD1-OD2 3.47Å
27F98.4Very high95Very high0 Ų053.7 Ų53.70%029%0.29CS..EExtended strand (participates in β ladder)trans-124.2146-180-56.3-76.3000111.3V22 V23 A24 V116 Y119 M120 V159 F160 F161V22-F27 WeakPolarHBondContact CA-O 3.47Å; V23-F27 HydrophobicContact CB-CB 4.32Å; V23-F27 PolarHBondContact N-O 3.02Å; V23-F27 PolarHBondContact O-N 3.03Å; A24-F27 HydrophobicContact CB-CD2 4.35Å; F27-V116 HydrophobicContact CE2-CG2 4.45Å; F27-V116 HydrophobicContact CZ-CB 4.33Å; F27-V116 HydrophobicContact CZ-CG1 4.48Å; F27-V116 HydrophobicContact CZ-CG2 3.87Å; F27-Y119 HydrophobicContact CD2-CD1 4.47Å; F27-Y119 AromaticContact CD2-CD2 3.84Å; F27-Y119 HydrophobicContact CD2-CD2 3.84Å; F27-Y119 HydrophobicContact CD2-CE2 4.34Å; F27-Y119 AromaticContact CD2-CG 3.92Å; F27-Y119 HydrophobicContact CD2-CG 3.92Å; F27-Y119 HydrophobicContact CE1-CD1 4.47Å; F27-Y119 VanDerWaalsContact CE2-CB 3.46Å; F27-Y119 HydrophobicContact CE2-CD1 4.17Å; F27-Y119 AromaticContact CE2-CD2 3.96Å; F27-Y119 HydrophobicContact CE2-CD2 3.96Å; F27-Y119 AromaticContact CE2-CG 3.59Å; F27-Y119 HydrophobicContact CE2-CG 3.59Å; F27-Y119 HydrophobicContact CZ-CD1 4.16Å; F27-Y119 HydrophobicContact CZ-CG 4Å; F27-M120 HydrophobicContact CD1-CE 4.34Å; F27-M120 HydrophobicContact CE1-CE 3.4Å; F27-M120 VanDerWaalsContact CE1-CE 3.4Å; F27-M120 HydrophobicContact CZ-CE 3.7Å; F27-V159 HydrophobicContact CB-CG1 4.09Å; F27-V159 HydrophobicContact CD1-CG1 3.94Å; F27-V159 HydrophobicContact CG-CG1 4.24Å; F27-F160 CarbonylContact C-O 3.55Å; F27-F160 VanDerWaalsContact CA-O 3.23Å; F27-F160 WeakPolarHBondContact CA-O 3.47Å; F27-F161 HydrophobicContact CD1-CD1 4.23Å; F27-F161 HydrophobicContact CD1-CE1 4.35Å; F27-F161 AromaticContact CE1-CD1 3.7Å; F27-F161 HydrophobicContact CE1-CD1 3.7Å; F27-F161 AromaticContact CE1-CE1 3.4Å; F27-F161 HydrophobicContact CE1-CE1 3.4Å; F27-F161 VanDerWaalsContact CE1-CE1 3.4Å; F27-F161 HydrophobicContact CE1-CE2 4.34Å; F27-F161 HydrophobicContact CE1-CG 4.29Å; F27-F161 AromaticContact CE1-CZ 3.75Å; F27-F161 HydrophobicContact CE1-CZ 3.75Å; F27-F161 HydrophobicContact CZ-CD1 4.49Å; F27-F161 AromaticContact CZ-CE1 3.96Å; F27-F161 HydrophobicContact CZ-CE1 3.96Å; F27-F161 HydrophobicContact CZ-CZ 4.43Å
28Y98.5Very high94.4Very high32 Ų3253 Ų5313%0.12529%0.285CS..EExtended strand (participates in β ladder)trans-100.5132.3156.6-70.6-64.2000109Y4 F14 P20 R21 V22 V159 F160 K162 L165Y4-Y28 HydrophobicContact CD1-CE2 4.2Å; Y4-Y28 AromaticContact CE1-CE2 3.94Å; Y4-Y28 HydrophobicContact CE1-CE2 3.94Å; Y4-Y28 AromaticContact CE1-CZ 3.93Å; F14-Y28 HydrophobicContact CZ-CD2 4.03Å; F14-Y28 HydrophobicContact CZ-CG 4.15Å; P20-Y28 HydrophobicContact CB-CD1 3.73Å; P20-Y28 HydrophobicContact CB-CE1 4.37Å; P20-Y28 HydrophobicContact CB-CG 4.18Å; P20-Y28 HydrophobicContact CG-CD1 4.33Å; P20-Y28 HydrophobicContact CG-CE1 4.49Å; R21-Y28 CarbonylContact O-C 3.58Å; R21-Y28 WeakPolarHBondContact O-CA 3.41Å; V22-Y28 HydrophobicContact CG2-CD1 3.95Å; V22-Y28 HydrophobicContact CG2-CE1 3.53Å; Y28-V159 WeakPolarHBondContact O-CA 3.5Å; Y28-F160 PolarHBondContact N-O 3.38Å; Y28-F160 PolarHBondContact O-N 2.85Å; Y28-K162 HydrophobicContact CD2-CB 3.76Å; Y28-K162 HydrophobicContact CD2-CD 4.5Å; Y28-K162 HydrophobicContact CD2-CG 4.1Å; Y28-K162 HydrophobicContact CE1-CD 4.05Å; Y28-K162 HydrophobicContact CE2-CB 3.67Å; Y28-K162 HydrophobicContact CE2-CD 3.85Å; Y28-K162 HydrophobicContact CE2-CG 3.46Å; Y28-K162 VanDerWaalsContact CE2-CG 3.46Å; Y28-K162 HydrophobicContact CG-CB 4.46Å; Y28-L165 HydrophobicContact CD2-CD1 3.7Å; Y28-L165 HydrophobicContact CE2-CD1 4.13Å
29E98.5Very high93.1Very high19 Ų1954.7 Ų54.79%0.08930%0.302CS..EExtended strand (participates in β ladder)trans-107128.5163-68-172.7177.100109.9R21 V23 Y119 R150 Y157 F158 V159R21-E29 PolarHBondContact N-O 2.87Å; R21-E29 IonicContact NH2-OE2 3.59Å; R21-E29 PolarHBondContact NH2-OE2 2.92Å; R21-E29 PolarHBondContact O-N 3.09Å; V23-E29 HydrophobicContact CB-CG 4.43Å; V23-E29 HydrophobicContact CG2-CB 4.22Å; V23-E29 HydrophobicContact CG2-CG 3.7Å; E29-Y119 PolarHBondContact OE1-OH 2.67Å; E29-R150 IonicContact OE2-CZ 2.7Å; E29-R150 IonicContact OE2-NH1 2.73Å; E29-R150 PolarHBondContact OE2-NH1 2.99Å; E29-R150 IonicContact OE2-NH2 3.37Å; E29-R150 PolarHBondContact OE2-NH2 3.12Å; E29-Y157 HydrophobicContact CB-CD2 4.49Å; E29-Y157 HydrophobicContact CG-CD2 4.35Å; E29-Y157 HydrophobicContact CG-CE2 4.43Å; E29-F158 CarbonylContact C-O 3.52Å; E29-F158 VanDerWaalsContact CA-O 3.25Å; E29-F158 WeakPolarHBondContact CA-O 3.4Å; E29-V159 HydrophobicContact CG-CG2 4.34Å
30V98.3Very high91.4Very high0 Ų052.8 Ų52.80%028%0.284CS..EExtended strand (participates in β ladder)trans-119122.7-178.9162.60000108.7F14 H18 P20 L70 Y157 F158 F160F14-V30 HydrophobicContact CD1-CG2 4.35Å; F14-V30 HydrophobicContact CD2-CG2 3.86Å; F14-V30 HydrophobicContact CE1-CG2 4.39Å; F14-V30 HydrophobicContact CE2-CG2 3.92Å; F14-V30 HydrophobicContact CG-CG2 4.1Å; F14-V30 HydrophobicContact CZ-CG2 4.2Å; H18-V30 HydrophobicContact CB-CG1 3.51Å; H18-V30 HydrophobicContact CB-CG2 4.36Å; P20-V30 HydrophobicContact CB-CG2 3.79Å; V30-L70 HydrophobicContact CG1-CD2 4.08Å; V30-Y157 CarbonylContact O-C 3.55Å; V30-Y157 WeakPolarHBondContact O-CA 3.37Å; V30-Y157 WeakPolarHBondContact O-CB 3.44Å; V30-F158 PolarHBondContact N-O 3.31Å; V30-F158 PolarHBondContact O-N 3.4Å; V30-F160 HydrophobicContact CB-CE2 4.1Å; V30-F160 HydrophobicContact CG2-CD2 4.39Å; V30-F160 HydrophobicContact CG2-CE2 4.12Å
31D97.9Very high89.5Confident62 Ų6256.2 Ų56.233%0.33231%0.305SS..EExtended strand (participates in β ladder)trans-76.2138.4169.1-67-20.7000109.2H18 R21 R150 T155H18-D31 PolarHBondContact ND1-O 2.97Å; R21-D31 IonicContact NH1-OD2 2.76Å; D31-R150 IonicContact OD1-CZ 3.37Å; D31-R150 IonicContact OD1-NE 3.14Å; D31-R150 PolarHBondContact OD1-NE 3.34Å; D31-R150 IonicContact OD1-NH2 3.88Å; D31-R150 PolarHBondContact OD1-NH2 2.95Å; D31-T155 HydrophobicContact CB-CG2 4.36Å
32S96.6Very high87.3Confident10 Ų1054.8 Ų54.87%0.0731%0.306CS..  trans-128.1176.7178.1175.40000108.3I68 D69 L70 P156S32-I68 WeakPolarHBondContact OG-CG2 3.42Å; S32-D69 PolarHBondContact OG-OD1 3.36Å; S32-L70 WeakPolarHBondContact OG-CB 3.44Å; S32-L70 PolarHBondContact OG-N 2.83Å; S32-P156 PolarHBondContact N-O 3.2Å; S32-P156 WeakPolarHBondContact O-CD 3.36Å; S32-P156 WeakPolarHBondContact O-CG 3.42Å
33R95.2Very high85.1Confident173 Ų17353.5 Ų53.565%0.65331%0.308SS*.  trans-141.5158.7-178.455.1179.4176.6-179.23.1110.1D69R33-D69 HydrophobicContact CG-CB 4.3Å; R33-D69 VanDerWaalsContact CG-CG 3.45Å; R33-D69 WeakPolarHBondContact CG-OD2 3.38Å; R33-D69 IonicContact CZ-OD2 3.96Å; R33-D69 PolarHBondContact N-OD1 3.17Å; R33-D69 VanDerWaalsContact N-OD1 3.07Å; R33-D69 IonicContact NE-OD2 3.19Å; R33-D69 PolarHBondContact NE-OD2 3.05Å; R33-D69 IonicContact NH2-OD2 2.93Å; R33-D69 PolarHBondContact O-N 2.88Å
34F94.7Very high83Confident66 Ų6662.2 Ų62.229%0.28934%0.337SS..EExtended strand (participates in β ladder)trans-76138166.5-67.8-82.3000110.5R66 V67 I68 F149 P156F34-R66 HydrophobicContact CB-CG 3.85Å; F34-R66 HydrophobicContact CD1-CG 3.86Å; F34-R66 HydrophobicContact CG-CG 4.15Å; F34-R66 VanDerWaalsContact CG-NE 3.3Å; F34-V67 CarbonylContact C-O 3.59Å; F34-V67 VanDerWaalsContact CA-O 3.28Å; F34-V67 WeakPolarHBondContact CA-O 3.33Å; F34-I68 HydrophobicContact CD1-CG1 3.96Å; F34-I68 HydrophobicContact CE1-CD1 4.38Å; F34-I68 HydrophobicContact CE1-CG1 3.65Å; F34-I68 HydrophobicContact CZ-CG1 4.25Å; F34-F149 AromaticContact CE2-CE1 3.81Å; F34-F149 HydrophobicContact CE2-CE1 3.81Å; F34-F149 HydrophobicContact CE2-CZ 4.47Å; F34-F149 AromaticContact CZ-CE1 3.77Å; F34-F149 HydrophobicContact CZ-CE1 3.77Å; F34-F149 AromaticContact CZ-CZ 3.97Å; F34-F149 HydrophobicContact CZ-CZ 3.97Å; F34-P156 HydrophobicContact CE2-CG 4.35Å
35T92.4Very high81.1Confident56 Ų5667.3 Ų67.334%0.34436%0.358SS..EExtended strand (participates in β ladder)trans-125.3160168.9-170.90000109.4V37 R66 V67 D69T35-V37 HydrophobicContact CG2-CG2 4.27Å; T35-R66 WeakPolarHBondContact O-CA 3.41Å; T35-V67 HydrophobicContact CG2-CG2 3.74Å; T35-V67 PolarHBondContact N-O 2.7Å; T35-V67 PolarHBondContact O-N 3.02Å; T35-V67 VanDerWaalsContact O-O 3.11Å; T35-D69 HydrophobicContact CG2-CB 3.86Å
36T90.6Very high79.1Confident91 Ų9169.5 Ų69.556%0.55837%0.369SS*.EExtended strand (participates in β ladder)trans-102.4124.4175.1-60.90000108.3
37V84.4Confident76.7Confident45 Ų4573.2 Ų73.227%0.27341%0.407SS..EExtended strand (participates in β ladder)trans-110.9118.7174.5179.70000107.8T35 S64 K65 V67T35-V37 HydrophobicContact CG2-CG2 4.27Å; V37-S64 WeakPolarHBondContact O-CA 3.46Å; V37-K65 PolarHBondContact N-O 3.49Å; V37-K65 PolarHBondContact O-N 3.37Å; V37-V67 HydrophobicContact CB-CG2 4.36Å; V37-V67 HydrophobicContact CG2-CG2 3.51Å
38S79.5Confident74.1Confident69 Ų6977 Ų7748%0.48344%0.438SS..EExtended strand (participates in β ladder)trans-89.3128.4174.858.60000110.3N40S38-N40 PolarHBondContact O-N 3.36Å
39S66.1Low71.5Confident79 Ų7982 Ų8255%0.55247%0.468SS*.  trans-72.4-11.5166.732.20000113.2V41 T63S39-V41 PolarHBondContact O-N 2.85Å; S39-T63 WeakPolarHBondContact OG-CB 3.39Å; S39-T63 PolarHBondContact OG-O 2.88Å; S39-T63 VanDerWaalsContact OG-O 3.05Å; S39-T63 PolarHBondContact OG-OG1 3.35Å
40N59.3Low69.1Low59 Ų5987.4 Ų87.432%0.31650%0.504SS..  trans-65.1108.2176.6-69.4-26.1000109S38 D42S38-N40 PolarHBondContact O-N 3.36Å; N40-D42 PolarHBondContact O-N 2.81Å; N40-D42 VanDerWaalsContact O-N 3.09Å
41V56.5Low66.7Low99 Ų9992.7 Ų92.760%0.654%0.541SS*.  trans-56.9115161.2-173.40000105S39 G43 I46S39-V41 PolarHBondContact O-N 2.85Å; V41-G43 PolarHBondContact O-N 2.66Å; V41-I46 HydrophobicContact CB-CD1 4.12Å; V41-I46 HydrophobicContact CB-CG1 4.45Å; V41-I46 HydrophobicContact CG1-CD1 4.08Å; V41-I46 HydrophobicContact CG1-CG1 3.86Å
42D50.7Low64Low86 Ų8693.1 Ų93.146%0.4656%0.561SS.*  trans-48.9114179.4-169.2-11.6000107.6N40 R44 L45N40-D42 PolarHBondContact O-N 2.81Å; N40-D42 VanDerWaalsContact O-N 3.09Å; D42-R44 PolarHBondContact O-N 2.61Å; D42-R44 PolarHBondContact OD1-N 2.8Å; D42-L45 HydrophobicContact CB-CD1 4.33Å; D42-L45 HydrophobicContact CB-CG 4.41Å; D42-L45 WeakPolarHBondContact O-CB 3.49Å; D42-L45 PolarHBondContact O-N 2.86Å
43G51.4Low61.2Low50 Ų50102.6 Ų102.652%0.51560%0.604SS.*THydrogen-bonded Turntrans-60.1-10.4-173.900000112.8V41V41-G43 PolarHBondContact O-N 2.66Å
44R52.6Low58.4Low221 Ų22198 Ų9883%0.83461%0.61SS**THydrogen-bonded Turntrans-71.7-26.3169.1-60.7176.6-167.9176.56.4113.6D42D42-R44 PolarHBondContact O-N 2.61Å; D42-R44 PolarHBondContact OD1-N 2.8Å
45L52.9Low55.7Low141 Ų14198 Ų9874%0.73863%0.629SS**THydrogen-bonded Turntrans-87.6-27.9176.7-65175.2000112.2D42 G47D42-L45 HydrophobicContact CB-CD1 4.33Å; D42-L45 HydrophobicContact CB-CG 4.41Å; D42-L45 WeakPolarHBondContact O-CB 3.49Å; D42-L45 PolarHBondContact O-N 2.86Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.01Å
46I51.3Low53.3Low101 Ų101104.1 Ų104.152%0.51865%0.653SS.*SBendtrans-71.299.2163.3-65177.1000105.1V41 A48V41-I46 HydrophobicContact CB-CD1 4.12Å; V41-I46 HydrophobicContact CB-CG1 4.45Å; V41-I46 HydrophobicContact CG1-CD1 4.08Å; V41-I46 HydrophobicContact CG1-CG1 3.86Å; I46-A48 PolarHBondContact O-N 3.05Å
47G44.2Very low51Low78 Ų78108 Ų10880%0.80467%0.671SS**  trans-59.278.317900000111.7L45 N49L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.01Å; G47-N49 PolarHBondContact O-N 2.99Å
48A44.5Very low49.2Very low79 Ų79113.8 Ų113.865%0.65370%0.695SS**  trans-81.2105.5177.800000107.4I46I46-A48 PolarHBondContact O-N 3.05Å
49N44.6Very low47.6Very low139 Ų139117.7 Ų117.774%0.74371%0.71SS**  trans-46.2121168.7-166.65.9000109.6G47 S51G47-N49 PolarHBondContact O-N 2.99Å; N49-S51 PolarHBondContact O-N 3.11Å
50P46.9Very low46.8Very low132 Ų132118.3 Ų118.386%0.85771%0.71SS**SBendtrans-78.336.1-166.331.7-36.1000114.1
51S49.3Very low46.3Very low110 Ų110121.4 Ų121.477%0.76973%0.727SS**  trans-131.288.9-175.3-153.70000110.5N49N49-S51 PolarHBondContact O-N 3.11Å
52G41Very low46.2Very low72 Ų72121.7 Ų121.774%0.74273%0.725SS**  trans176.180.8176.400000110.4G54G52-G54 PolarHBondContact O-N 2.75Å
53E36.2Very low47Very low209 Ų209120.4 Ų120.498%0.97772%0.72SS**  trans-53.1125.9162.7-64.4-172.2127.800109.6
54G37.5Very low48.3Very low77 Ų77120 Ų12079%0.79471%0.71SS**  trans149.7115.1165.300000114.3G52G52-G54 PolarHBondContact O-N 2.75Å
55G38.5Very low49.9Very low65 Ų65116.4 Ų116.467%0.6770%0.7SS**  trans101.495.813800000115.6
56E42.4Very low51.6Low185 Ų185117.4 Ų117.486%0.86469%0.694SS**  trans75.5125132.8-63.6170.3179.100116.6E58E56-E58 PolarHBondContact O-N 2.97Å
57D40.9Very low53.6Low172 Ų172114.4 Ų114.492%0.9268%0.68SS**  trans-52.276.7162.9-74.8-54.4000109.3N59D57-N59 PolarHBondContact O-N 3.39Å
58E47.5Very low56.1Low167 Ų167111.4 Ų111.478%0.7865%0.646SS**  trans-57.6103.5161.9-75.4-158.5173.500104.2E56 V60E56-E58 PolarHBondContact O-N 2.97Å; E58-V60 HydrophobicContact CB-CG2 4.48Å; E58-V60 VanDerWaalsContact O-CG2 3.28Å; E58-V60 WeakPolarHBondContact O-CG2 3.47Å; E58-V60 PolarHBondContact O-N 2.83Å
59N44.7Very low58.5Low151 Ų151108.8 Ų108.881%0.80762%0.621SS**  trans-53.380.5161.4-168.2-15.4000105.1D57 D61D57-N59 PolarHBondContact O-N 3.39Å; N59-D61 PolarHBondContact O-N 3.15Å
60V50.5Low61Low92 Ų92102.1 Ų102.156%0.55859%0.585SS**  trans-66.190.3177.1-175.70000102.7E58 D62E58-V60 HydrophobicContact CB-CG2 4.48Å; E58-V60 VanDerWaalsContact O-CG2 3.28Å; E58-V60 WeakPolarHBondContact O-CG2 3.47Å; E58-V60 PolarHBondContact O-N 2.83Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 2.73Å
61D49.1Very low63.3Low124 Ų12497.1 Ų97.166%0.66355%0.552SS**  trans-49104.6176.8-160.311000104.4N59 T63N59-D61 PolarHBondContact O-N 3.15Å; D61-T63 PolarHBondContact O-N 2.96Å; D61-T63 PolarHBondContact O-OG1 3.28Å
62D53.8Low65.5Low104 Ų10496.9 Ų96.956%0.55654%0.539SS*.  trans-68.788.1-170.7-17331.4000105V60 S64V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 2.73Å; D62-S64 PolarHBondContact O-N 3.37Å; D62-S64 PolarHBondContact OD2-OG 3.44Å
63T67.4Low67.9Low59 Ų5997.3 Ų97.336%0.36254%0.535SS..  trans-75.535.7-177.234.10000109.5S39 D61 K65S39-T63 WeakPolarHBondContact OG-CB 3.39Å; S39-T63 PolarHBondContact OG-O 2.88Å; S39-T63 VanDerWaalsContact OG-O 3.05Å; S39-T63 PolarHBondContact OG-OG1 3.35Å; D61-T63 PolarHBondContact O-N 2.96Å; D61-T63 PolarHBondContact O-OG1 3.28Å; T63-K65 PolarHBondContact O-N 3.02Å
64S78.2Confident70.7Confident43 Ų4388.3 Ų88.330%0.30149%0.494SS..EExtended strand (participates in β ladder)trans-73.7122.7174.970.50000108.4V37 D62V37-S64 WeakPolarHBondContact O-CA 3.46Å; D62-S64 PolarHBondContact O-N 3.37Å; D62-S64 PolarHBondContact OD2-OG 3.44Å
65K85.8Confident73.5Confident145 Ų14586.4 Ų86.463%0.6347%0.474SS*.EExtended strand (participates in β ladder)trans-107.3129.9178.8-68.9-177.4-177.7177.40108.9V37 T63 V67V37-K65 PolarHBondContact N-O 3.49Å; V37-K65 PolarHBondContact O-N 3.37Å; T63-K65 PolarHBondContact O-N 3.02Å; K65-V67 HydrophobicContact CB-CG1 4.36Å; K65-V67 PolarHBondContact O-N 3.24Å
66R89.9Confident76.3Confident161 Ų16183.9 Ų83.961%0.60845%0.445SS*.EExtended strand (participates in β ladder)trans-78.2120.2170.4-169.1177.3179.6-168.9-4.4108.6F34 T35F34-R66 HydrophobicContact CB-CG 3.85Å; F34-R66 HydrophobicContact CD1-CG 3.86Å; F34-R66 HydrophobicContact CG-CG 4.15Å; F34-R66 VanDerWaalsContact CG-NE 3.3Å; T35-R66 WeakPolarHBondContact O-CA 3.41Å
67V93.4Very high78.9Confident38 Ų3878.4 Ų78.423%0.2342%0.42CS..EExtended strand (participates in β ladder)trans-129.9159.8-178.6-58.90000109.9F34 T35 V37 K65 H72F34-V67 CarbonylContact C-O 3.59Å; F34-V67 VanDerWaalsContact CA-O 3.28Å; F34-V67 WeakPolarHBondContact CA-O 3.33Å; T35-V67 HydrophobicContact CG2-CG2 3.74Å; T35-V67 PolarHBondContact N-O 2.7Å; T35-V67 PolarHBondContact O-N 3.02Å; T35-V67 VanDerWaalsContact O-O 3.11Å; V37-V67 HydrophobicContact CB-CG2 4.36Å; V37-V67 HydrophobicContact CG2-CG2 3.51Å; K65-V67 HydrophobicContact CB-CG1 4.36Å; K65-V67 PolarHBondContact O-N 3.24Å; V67-H72 HydrophobicContact CB-CB 4.4Å; V67-H72 HydrophobicContact CG2-CB 3.76Å
68I96Very high81.5Confident16 Ų1673.7 Ų73.78%0.08240%0.401CS..EExtended strand (participates in β ladder)trans-79.5127.9171.5-61.4171.4000108S32 F34 L70 V71 H72 M147 P156 F158S32-I68 WeakPolarHBondContact OG-CG2 3.42Å; F34-I68 HydrophobicContact CD1-CG1 3.96Å; F34-I68 HydrophobicContact CE1-CD1 4.38Å; F34-I68 HydrophobicContact CE1-CG1 3.65Å; F34-I68 HydrophobicContact CZ-CG1 4.25Å; I68-L70 PolarHBondContact O-N 2.88Å; I68-V71 HydrophobicContact CB-CB 4.14Å; I68-V71 HydrophobicContact CB-CG2 3.95Å; I68-V71 HydrophobicContact CD1-CG2 4.48Å; I68-V71 HydrophobicContact CG2-CG2 4.05Å; I68-V71 PolarHBondContact O-N 2.75Å; I68-H72 WeakPolarHBondContact O-CB 3.47Å; I68-H72 PolarHBondContact O-N 2.7Å; I68-M147 HydrophobicContact CD1-CE 3.57Å; I68-P156 HydrophobicContact CD1-CB 4.23Å; I68-P156 HydrophobicContact CG2-CG 4.26Å; I68-F158 HydrophobicContact CD1-CZ 4.32Å; I68-F158 HydrophobicContact CG2-CE2 3.67Å; I68-F158 HydrophobicContact CG2-CZ 3.77Å
69D95.2Very high83.9Confident23 Ų2367.1 Ų67.112%0.12337%0.372CS..Hα-helixtrans-61.5-41.8-170.969.6-19.8000112.8S32 R33 T35 H72 A73S32-D69 PolarHBondContact OG-OD1 3.36Å; R33-D69 HydrophobicContact CG-CB 4.3Å; R33-D69 VanDerWaalsContact CG-CG 3.45Å; R33-D69 WeakPolarHBondContact CG-OD2 3.38Å; R33-D69 IonicContact CZ-OD2 3.96Å; R33-D69 PolarHBondContact N-OD1 3.17Å; R33-D69 VanDerWaalsContact N-OD1 3.07Å; R33-D69 IonicContact NE-OD2 3.19Å; R33-D69 PolarHBondContact NE-OD2 3.05Å; R33-D69 IonicContact NH2-OD2 2.93Å; R33-D69 PolarHBondContact O-N 2.88Å; T35-D69 HydrophobicContact CG2-CB 3.86Å; D69-H72 PolarHBondContact O-N 2.79Å; D69-A73 WeakPolarHBondContact O-CB 3.18Å; D69-A73 PolarHBondContact O-N 3.38Å
70L96.2Very high86.3Confident0 Ų065.8 Ų65.80%037%0.372CS..Hα-helixtrans-65.1-45.3177.7-171.568.5000112.1F14 V30 S32 I68 H72 A73 N74 F76 F158 F160F14-L70 HydrophobicContact CB-CD1 3.83Å; V30-L70 HydrophobicContact CG1-CD2 4.08Å; S32-L70 WeakPolarHBondContact OG-CB 3.44Å; S32-L70 PolarHBondContact OG-N 2.83Å; I68-L70 PolarHBondContact O-N 2.88Å; L70-H72 VanDerWaalsContact C-N 3.29Å; L70-H72 PolarHBondContact O-N 3.49Å; L70-A73 PolarHBondContact O-N 2.55Å; L70-N74 WeakPolarHBondContact CD1-OD1 3.32Å; L70-N74 WeakPolarHBondContact O-CB 3.14Å; L70-N74 PolarHBondContact O-N 3.07Å; L70-N74 PolarHBondContact O-OD1 3.04Å; L70-N74 VanDerWaalsContact O-OD1 3.13Å; L70-F76 HydrophobicContact CD2-CE2 4.33Å; L70-F76 HydrophobicContact CG-CE2 4.16Å; L70-F158 HydrophobicContact CB-CE2 4.35Å; L70-F158 HydrophobicContact CD2-CB 4.04Å; L70-F158 HydrophobicContact CD2-CD1 4.27Å; L70-F158 HydrophobicContact CD2-CD2 3.6Å; L70-F158 HydrophobicContact CD2-CE2 4.16Å; L70-F158 HydrophobicContact CD2-CG 3.69Å; L70-F160 HydrophobicContact CD2-CE2 4.39Å; L70-F160 HydrophobicContact CD2-CZ 4.01Å
71V96.4Very high88.5Confident26 Ų2663.6 Ų63.616%0.15836%0.355CS..Hα-helixtrans-59.6-44.5177174.10000110.5I68 G75 F76 Y133 F158I68-V71 HydrophobicContact CB-CB 4.14Å; I68-V71 HydrophobicContact CB-CG2 3.95Å; I68-V71 HydrophobicContact CD1-CG2 4.48Å; I68-V71 HydrophobicContact CG2-CG2 4.05Å; I68-V71 PolarHBondContact O-N 2.75Å; V71-G75 WeakPolarHBondContact O-CA 3.33Å; V71-G75 PolarHBondContact O-N 3.24Å; V71-F76 HydrophobicContact CB-CB 4.48Å; V71-F76 HydrophobicContact CG1-CB 4.13Å; V71-F76 HydrophobicContact CG2-CD2 4.45Å; V71-F76 PolarHBondContact O-N 2.81Å; V71-Y133 HydrophobicContact CG1-CD1 4.25Å; V71-Y133 HydrophobicContact CG1-CE1 3.8Å; V71-Y133 HydrophobicContact CG2-CD1 4.29Å; V71-Y133 HydrophobicContact CG2-CE1 3.93Å; V71-F158 HydrophobicContact CG2-CE1 3.69Å; V71-F158 HydrophobicContact CG2-CZ 3.42Å; V71-F158 VanDerWaalsContact CG2-CZ 3.42Å
72H94.3Very high90.8Very high106 Ų10662.1 Ų62.149%0.49135%0.347SS..Hα-helixtrans-70.4-44.1-178.7-174.163000112.5V67 I68 D69 L70V67-H72 HydrophobicContact CB-CB 4.4Å; V67-H72 HydrophobicContact CG2-CB 3.76Å; I68-H72 WeakPolarHBondContact O-CB 3.47Å; I68-H72 PolarHBondContact O-N 2.7Å; D69-H72 PolarHBondContact O-N 2.79Å; L70-H72 VanDerWaalsContact C-N 3.29Å; L70-H72 PolarHBondContact O-N 3.49Å
73A93.1Very high92.9Very high80 Ų8061.1 Ų61.166%0.66134%0.339SS*.Hα-helixtrans-65.9-39.7-178.200000112.3D69 L70D69-A73 WeakPolarHBondContact O-CB 3.18Å; D69-A73 PolarHBondContact O-N 3.38Å; L70-A73 PolarHBondContact O-N 2.55Å
74N95Very high94.3Very high21 Ų2166.5 Ų66.511%0.11236%0.357CS..Hα-helixtrans-94.4-2.8-176.9-64.881.7000113.4E12 M13 L70 F76 P136E12-N74 PolarHBondContact O-ND2 2.93Å; M13-N74 PolarHBondContact O-ND2 2.95Å; L70-N74 WeakPolarHBondContact CD1-OD1 3.32Å; L70-N74 WeakPolarHBondContact O-CB 3.14Å; L70-N74 PolarHBondContact O-N 3.07Å; L70-N74 PolarHBondContact O-OD1 3.04Å; L70-N74 VanDerWaalsContact O-OD1 3.13Å; N74-F76 VanDerWaalsContact C-N 3.27Å; N74-F76 HydrophobicContact CB-CD1 3.86Å; N74-F76 HydrophobicContact CB-CD2 4.5Å; N74-F76 HydrophobicContact CB-CE1 3.62Å; N74-F76 HydrophobicContact CB-CE2 4.29Å; N74-F76 HydrophobicContact CB-CG 4.3Å; N74-F76 HydrophobicContact CB-CZ 3.85Å; N74-F76 PolarHBondContact O-N 3.44Å; N74-P136 WeakPolarHBondContact O-CD 3.25Å; N74-P136 VanDerWaalsContact O-CG 3.27Å; N74-P136 WeakPolarHBondContact O-CG 3.04Å
75G95.1Very high95.3Very high36 Ų3666.6 Ų66.637%0.37136%0.358SS..THydrogen-bonded Turntrans64.430.6179.900000113.4V71 P136V71-G75 WeakPolarHBondContact O-CA 3.33Å; V71-G75 PolarHBondContact O-N 3.24Å; G75-P136 WeakPolarHBondContact O-CG 3.35Å
76F97.6Very high95.8Very high13 Ų1359.8 Ų59.86%0.05733%0.328CS..  trans-62.1140.8179.9-70.6-18.2000111.8M13 L70 V71 N74 Y133 M134 V145 F160M13-F76 HydrophobicContact CB-CZ 4.38Å; M13-F76 HydrophobicContact CE-CE1 3.71Å; M13-F76 HydrophobicContact CE-CZ 3.78Å; M13-F76 VanDerWaalsContact O-CZ 3.29Å; M13-F76 WeakPolarHBondContact O-CZ 3.13Å; M13-F76 HydrophobicContact SD-CE1 3.9Å; M13-F76 HydrophobicContact SD-CZ 4.24Å; L70-F76 HydrophobicContact CD2-CE2 4.33Å; L70-F76 HydrophobicContact CG-CE2 4.16Å; V71-F76 HydrophobicContact CB-CB 4.48Å; V71-F76 HydrophobicContact CG1-CB 4.13Å; V71-F76 HydrophobicContact CG2-CD2 4.45Å; V71-F76 PolarHBondContact O-N 2.81Å; N74-F76 VanDerWaalsContact C-N 3.27Å; N74-F76 HydrophobicContact CB-CD1 3.86Å; N74-F76 HydrophobicContact CB-CD2 4.5Å; N74-F76 HydrophobicContact CB-CE1 3.62Å; N74-F76 HydrophobicContact CB-CE2 4.29Å; N74-F76 HydrophobicContact CB-CG 4.3Å; N74-F76 HydrophobicContact CB-CZ 3.85Å; N74-F76 PolarHBondContact O-N 3.44Å; F76-Y133 HydrophobicContact CB-CD1 3.89Å; F76-Y133 HydrophobicContact CB-CG 4.34Å; F76-M134 WeakPolarHBondContact CA-O 3.42Å; F76-V145 HydrophobicContact CE2-CG2 4.35Å; F76-V145 HydrophobicContact CZ-CG2 4.24Å; F76-F160 HydrophobicContact CE2-CE1 4.31Å; F76-F160 HydrophobicContact CE2-CZ 4.26Å; F76-F160 HydrophobicContact CZ-CE1 4.1Å; F76-F160 HydrophobicContact CZ-CZ 4.4Å
77I96.8Very high96.2Very high70 Ų7056.2 Ų56.236%0.35932%0.317SS..EExtended strand (participates in β ladder)trans-110.2125-177.7-58.6168.3000108.2Y133 M134 S138I77-Y133 CarbonylContact O-C 3.44Å; I77-Y133 VanDerWaalsContact O-CA 3.31Å; I77-Y133 WeakPolarHBondContact O-CA 3.36Å; I77-M134 HydrophobicContact CB-CE 4.41Å; I77-M134 HydrophobicContact CB-CG 4.35Å; I77-M134 HydrophobicContact CG2-CE 4.31Å; I77-M134 PolarHBondContact N-O 3.41Å; I77-M134 PolarHBondContact O-N 3.34Å; I77-S138 WeakPolarHBondContact CD1-OG 3.37Å
78S96.5Very high96.4Very high72 Ų7256.9 Ų56.950%0.50333%0.327SS..EExtended strand (participates in β ladder)trans-66.7134.5175.5-176.30000110.6F132S78-F132 CarbonylContact C-O 3.3Å; S78-F132 WeakPolarHBondContact CA-O 3.05Å
79V96.5Very high96.5Very high29 Ų2957.2 Ų57.218%0.17633%0.328CS..  trans-119.7119.7179.8-174.30000109F81 F132 M134V79-F81 HydrophobicContact CB-CD2 4.13Å; V79-F81 HydrophobicContact CB-CE2 3.92Å; V79-F81 HydrophobicContact CG1-CD2 3.82Å; V79-F81 HydrophobicContact CG1-CE2 3.49Å; V79-F81 VanDerWaalsContact CG1-CE2 3.49Å; V79-F81 HydrophobicContact CG1-CZ 4.03Å; V79-F81 PolarHBondContact O-N 3Å; V79-F81 VanDerWaalsContact O-N 3.15Å; V79-F132 PolarHBondContact N-O 3.39Å; V79-M134 HydrophobicContact CG2-CB 4.04Å; V79-M134 HydrophobicContact CG2-CE 4.16Å; V79-M134 HydrophobicContact CG2-CG 3.54Å; V79-M134 HydrophobicContact CG2-SD 3.6Å
80P95.4Very high96.7Very high124 Ų12456.7 Ų56.781%0.80533%0.325SS*.  trans-74109.9175.729.9-32.3000109.4
81F97.5Very high96.7Very high46 Ų4661.4 Ų61.420%0.20235%0.35CS..  trans-105.2147.9170.6-82.8-75.3000111.2V79 S85 Y86 H89 F127 F132 I144V79-F81 HydrophobicContact CB-CD2 4.13Å; V79-F81 HydrophobicContact CB-CE2 3.92Å; V79-F81 HydrophobicContact CG1-CD2 3.82Å; V79-F81 HydrophobicContact CG1-CE2 3.49Å; V79-F81 VanDerWaalsContact CG1-CE2 3.49Å; V79-F81 HydrophobicContact CG1-CZ 4.03Å; V79-F81 PolarHBondContact O-N 3Å; V79-F81 VanDerWaalsContact O-N 3.15Å; F81-S85 WeakPolarHBondContact CD1-OG 3.38Å; F81-Y86 HydrophobicContact CD2-CD2 4.45Å; F81-Y86 HydrophobicContact CG-CD2 4.46Å; F81-H89 HydrophobicContact CE1-CB 4.24Å; F81-H89 HydrophobicContact CZ-CB 4.33Å; F81-F127 HydrophobicContact CB-CZ 3.9Å; F81-F127 WeakPolarHBondContact O-CE1 3.15Å; F81-F132 HydrophobicContact CB-CD2 4.14Å; F81-F132 HydrophobicContact CB-CE2 4.47Å; F81-F132 HydrophobicContact CB-CG 4.3Å; F81-F132 HydrophobicContact CD2-CB 3.68Å; F81-F132 HydrophobicContact CD2-CD1 4.16Å; F81-F132 HydrophobicContact CD2-CD2 4.45Å; F81-F132 AromaticContact CD2-CG 3.84Å; F81-F132 HydrophobicContact CD2-CG 3.84Å; F81-F132 HydrophobicContact CE2-CB 4.33Å; F81-I144 HydrophobicContact CE2-CD1 3.73Å; F81-I144 HydrophobicContact CE2-CG1 3.78Å; F81-I144 HydrophobicContact CE2-CG2 4.05Å; F81-I144 HydrophobicContact CZ-CD1 4.09Å; F81-I144 HydrophobicContact CZ-CG1 4Å
82D97.5Very high96.8Very high92 Ų9264.9 Ų64.949%0.49237%0.367SS..  trans-98167.1153.268.828.7000109.5K84 S85 Y86 F127D82-K84 PolarHBondContact O-N 3.03Å; D82-K84 VanDerWaalsContact O-N 3.11Å; D82-K84 WeakPolarHBondContact OD1-CA 3.5Å; D82-K84 WeakPolarHBondContact OD1-CB 3.45Å; D82-K84 PolarHBondContact OD1-N 3.06Å; D82-S85 VanDerWaalsContact CG-OG 3.31Å; D82-S85 PolarHBondContact N-OG 3.38Å; D82-S85 PolarHBondContact O-N 3.24Å; D82-S85 PolarHBondContact O-OG 3.13Å; D82-S85 WeakPolarHBondContact OD1-CB 3.17Å; D82-S85 PolarHBondContact OD1-N 2.88Å; D82-S85 PolarHBondContact OD1-OG 3.03Å; D82-Y86 WeakPolarHBondContact O-CB 3.27Å; D82-Y86 PolarHBondContact O-N 3.02Å; D82-F127 VanDerWaalsContact C-CZ 3.4Å
83Q97Very high96.9Very high83 Ų8360 Ų6039%0.38835%0.345SS..Hα-helixtrans-57.4-31.8-178.9-70.9-164.810.900113.4K87 L124 F127Q83-K87 VanDerWaalsContact O-CB 3.27Å; Q83-K87 WeakPolarHBondContact O-CB 3.31Å; Q83-K87 WeakPolarHBondContact O-CD 3.4Å; Q83-K87 WeakPolarHBondContact O-CG 3.18Å; Q83-K87 PolarHBondContact O-N 2.78Å; Q83-L124 PolarHBondContact NE2-O 3.43Å; Q83-F127 HydrophobicContact CG-CB 3.86Å; Q83-F127 HydrophobicContact CG-CD1 3.76Å; Q83-F127 HydrophobicContact CG-CD2 3.81Å; Q83-F127 HydrophobicContact CG-CE1 4.23Å; Q83-F127 HydrophobicContact CG-CE2 4.25Å; Q83-F127 HydrophobicContact CG-CG 3.52Å; Q83-F127 HydrophobicContact CG-CZ 4.45Å
84K97.7Very high97.1Very high172 Ų17257.3 Ų57.375%0.74832%0.319SS*.Hα-helixtrans-74.8-48.4-175-178.7-176.2175.6-174.50110.6D82 K87 A88D82-K84 PolarHBondContact O-N 3.03Å; D82-K84 VanDerWaalsContact O-N 3.11Å; D82-K84 WeakPolarHBondContact OD1-CA 3.5Å; D82-K84 WeakPolarHBondContact OD1-CB 3.45Å; D82-K84 PolarHBondContact OD1-N 3.06Å; K84-K87 PolarHBondContact O-N 2.92Å; K84-A88 PolarHBondContact O-N 3.43Å
85S97.5Very high97.3Very high45 Ų4562.1 Ų62.132%0.31534%0.339SS..Hα-helixtrans-64.5-41.9177.349.30000111.1F81 D82 A88 H89F81-S85 WeakPolarHBondContact CD1-OG 3.38Å; D82-S85 VanDerWaalsContact CG-OG 3.31Å; D82-S85 PolarHBondContact N-OG 3.38Å; D82-S85 PolarHBondContact O-N 3.24Å; D82-S85 PolarHBondContact O-OG 3.13Å; D82-S85 WeakPolarHBondContact OD1-CB 3.17Å; D82-S85 PolarHBondContact OD1-N 2.88Å; D82-S85 PolarHBondContact OD1-OG 3.03Å; S85-A88 WeakPolarHBondContact O-CB 3.49Å; S85-A88 PolarHBondContact O-N 2.83Å; S85-H89 PolarHBondContact O-N 3.39Å
86Y98.1Very high97.3Very high3 Ų362.7 Ų62.71%0.01234%0.335CS..Hα-helixtrans-64.5-45174.4179.5-111.4000112.2F81 D82 A88 H89 L90 M120 V123 L124 F127 F132 I144 L146F81-Y86 HydrophobicContact CD2-CD2 4.45Å; F81-Y86 HydrophobicContact CG-CD2 4.46Å; D82-Y86 WeakPolarHBondContact O-CB 3.27Å; D82-Y86 PolarHBondContact O-N 3.02Å; Y86-A88 PolarHBondContact O-N 2.94Å; Y86-H89 PolarHBondContact O-N 2.98Å; Y86-L90 HydrophobicContact CE1-CD2 4.29Å; Y86-L90 VanDerWaalsContact O-CB 3.32Å; Y86-L90 WeakPolarHBondContact O-CB 3.2Å; Y86-L90 PolarHBondContact O-N 2.96Å; Y86-M120 HydrophobicContact CE1-SD 4.45Å; Y86-V123 HydrophobicContact CE1-CG1 4.41Å; Y86-L124 HydrophobicContact CD1-CD2 4.07Å; Y86-F127 AromaticContact CD1-CE2 3.84Å; Y86-F127 HydrophobicContact CD1-CE2 3.84Å; Y86-F127 AromaticContact CG-CE2 3.97Å; Y86-F127 HydrophobicContact CG-CE2 3.97Å; Y86-F132 HydrophobicContact CD1-CE1 4Å; Y86-F132 AromaticContact CD2-CD1 3.7Å; Y86-F132 HydrophobicContact CD2-CD1 3.7Å; Y86-F132 AromaticContact CD2-CE1 3.6Å; Y86-F132 HydrophobicContact CD2-CE1 3.6Å; Y86-F132 HydrophobicContact CE1-CE1 4.08Å; Y86-F132 AromaticContact CE2-CD1 3.79Å; Y86-F132 HydrophobicContact CE2-CD1 3.79Å; Y86-F132 AromaticContact CE2-CE1 3.7Å; Y86-F132 HydrophobicContact CE2-CE1 3.7Å; Y86-F132 HydrophobicContact CG-CD1 4.29Å; Y86-F132 AromaticContact CG-CE1 3.77Å; Y86-F132 HydrophobicContact CG-CE1 3.77Å; Y86-F132 HydrophobicContact CG-CZ 4.48Å; Y86-F132 AromaticContact CZ-CE1 3.96Å; Y86-I144 HydrophobicContact CD2-CG2 4.47Å; Y86-I144 HydrophobicContact CE2-CB 4.37Å; Y86-I144 HydrophobicContact CE2-CG2 4.07Å; Y86-L146 HydrophobicContact CE2-CD2 3.92Å; Y86-L146 WeakPolarHBondContact OH-CD2 3.37Å
87K97.6Very high97.3Very high85 Ų8562.1 Ų62.137%0.3733%0.333SS..Hα-helixtrans-57.2-38.7174.1-79.7168.5179158.10112.1Q83 K84 N91 L124Q83-K87 VanDerWaalsContact O-CB 3.27Å; Q83-K87 WeakPolarHBondContact O-CB 3.31Å; Q83-K87 WeakPolarHBondContact O-CD 3.4Å; Q83-K87 WeakPolarHBondContact O-CG 3.18Å; Q83-K87 PolarHBondContact O-N 2.78Å; K84-K87 PolarHBondContact O-N 2.92Å; K87-N91 WeakPolarHBondContact O-CB 3.47Å; K87-N91 VanDerWaalsContact O-CG 3.25Å; K87-N91 PolarHBondContact O-N 3.37Å; K87-N91 VanDerWaalsContact O-N 3.09Å; K87-N91 PolarHBondContact O-ND2 2.88Å; K87-L124 HydrophobicContact CD-CD1 4.31Å; K87-L124 HydrophobicContact CD-CD2 4.33Å; K87-L124 HydrophobicContact CG-CD1 4.06Å; K87-L124 HydrophobicContact CG-CD2 3.91Å
88A98.1Very high97.3Very high53 Ų5360.3 Ų60.344%0.43832%0.324SS..Hα-helixtrans-65.8-47.4177.500000111.4K84 S85 Y86 N91 L92K84-A88 PolarHBondContact O-N 3.43Å; S85-A88 WeakPolarHBondContact O-CB 3.49Å; S85-A88 PolarHBondContact O-N 2.83Å; Y86-A88 PolarHBondContact O-N 2.94Å; A88-N91 PolarHBondContact O-N 2.65Å; A88-L92 WeakPolarHBondContact O-CG 3.45Å; A88-L92 PolarHBondContact O-N 3.38Å
89H98.2Very high97.3Very high23 Ų2362 Ų6211%0.10632%0.323CS..Hα-helixtrans-58.8-52.4174.7177.1-78000111.7F81 S85 Y86 N91 L92 Y93 P140 A142 I144F81-H89 HydrophobicContact CE1-CB 4.24Å; F81-H89 HydrophobicContact CZ-CB 4.33Å; S85-H89 PolarHBondContact O-N 3.39Å; Y86-H89 PolarHBondContact O-N 2.98Å; H89-N91 VanDerWaalsContact C-N 3.26Å; H89-N91 PolarHBondContact O-N 2.79Å; H89-L92 WeakPolarHBondContact O-CA 3.46Å; H89-L92 WeakPolarHBondContact O-CB 3.21Å; H89-L92 PolarHBondContact O-N 2.94Å; H89-Y93 PolarHBondContact O-N 3Å; H89-P140 PolarHBondContact CD2-O 2.87Å; H89-P140 PolarHBondContact NE2-O 3.19Å; H89-P140 VanDerWaalsContact NE2-O 3.12Å; H89-A142 PolarHBondContact CE1-O 3.23Å; H89-A142 VanDerWaalsContact CE1-O 3.29Å; H89-A142 PolarHBondContact NE2-O 3.3Å; H89-A142 VanDerWaalsContact NE2-O 3.1Å; H89-I144 VanDerWaalsContact CE1-CG1 3.4Å; H89-I144 WeakPolarHBondContact CE1-CG1 3.44Å
90L98Very high97.3Very high12 Ų1264.1 Ų64.16%0.06333%0.328CS..Hα-helixtrans-53.7-43.3179.2174.263.5000111.8Y86 L92 Y93 L94 M120 F161Y86-L90 HydrophobicContact CE1-CD2 4.29Å; Y86-L90 VanDerWaalsContact O-CB 3.32Å; Y86-L90 WeakPolarHBondContact O-CB 3.2Å; Y86-L90 PolarHBondContact O-N 2.96Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 2.89Å; L90-Y93 PolarHBondContact O-N 3.28Å; L90-L94 HydrophobicContact CD1-CD1 3.93Å; L90-L94 HydrophobicContact CD1-CD2 4.43Å; L90-L94 HydrophobicContact CD1-CG 3.91Å; L90-L94 HydrophobicContact CG-CD1 3.93Å; L90-L94 HydrophobicContact CG-CG 4.33Å; L90-L94 WeakPolarHBondContact O-CB 3.35Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.19Å; L90-M120 HydrophobicContact CD1-CG 4.4Å; L90-M120 HydrophobicContact CD1-SD 4.48Å; L90-M120 HydrophobicContact CD2-CB 4Å; L90-M120 HydrophobicContact CD2-CG 3.74Å; L90-M120 HydrophobicContact CD2-SD 4.13Å; L90-F161 HydrophobicContact CD1-CE2 3.99Å; L90-F161 HydrophobicContact CD1-CZ 3.54Å
91N96.9Very high97.2Very high99 Ų9958.2 Ų58.253%0.52929%0.29SS..Hα-helixtrans-66-31.8178.1-77.6-42.8000113.4K87 A88 H89 K95K87-N91 WeakPolarHBondContact O-CB 3.47Å; K87-N91 VanDerWaalsContact O-CG 3.25Å; K87-N91 PolarHBondContact O-N 3.37Å; K87-N91 VanDerWaalsContact O-N 3.09Å; K87-N91 PolarHBondContact O-ND2 2.88Å; A88-N91 PolarHBondContact O-N 2.65Å; H89-N91 VanDerWaalsContact C-N 3.26Å; H89-N91 PolarHBondContact O-N 2.79Å; N91-K95 WeakPolarHBondContact O-CG 3.5Å
92L97.6Very high97.2Very high98 Ų9861.7 Ų61.751%0.51331%0.307SS..Hα-helixtrans-72.6-49173.9-67.6167.4000110A88 H89 L90 L94 K95A88-L92 WeakPolarHBondContact O-CG 3.45Å; A88-L92 PolarHBondContact O-N 3.38Å; H89-L92 WeakPolarHBondContact O-CA 3.46Å; H89-L92 WeakPolarHBondContact O-CB 3.21Å; H89-L92 PolarHBondContact O-N 2.94Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 2.89Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 2.82Å; L92-K95 WeakPolarHBondContact O-CB 3.3Å; L92-K95 PolarHBondContact O-N 3.4Å
93Y98Very high97.1Very high4 Ų465.7 Ų65.72%0.01632%0.32CS..Hα-helixtrans-60.9-39.3179.7-167.5-106000112.6M7 I8 H89 L90 K95 T96 I97 D141 M143 F161 G164M7-Y93 HydrophobicContact CE-CE2 4.27Å; I8-Y93 HydrophobicContact CD1-CD2 4.34Å; I8-Y93 HydrophobicContact CD1-CE2 3.9Å; H89-Y93 PolarHBondContact O-N 3Å; L90-Y93 PolarHBondContact O-N 3.28Å; Y93-K95 PolarHBondContact O-N 3.46Å; Y93-T96 WeakPolarHBondContact O-CB 3.23Å; Y93-T96 PolarHBondContact O-N 2.87Å; Y93-T96 VanDerWaalsContact O-N 3.08Å; Y93-I97 HydrophobicContact CD1-CD1 4.47Å; Y93-I97 HydrophobicContact CD1-CG1 3.96Å; Y93-I97 HydrophobicContact CE1-CD1 3.73Å; Y93-I97 HydrophobicContact CE1-CG1 3.72Å; Y93-I97 WeakPolarHBondContact O-CG1 3.28Å; Y93-I97 PolarHBondContact O-N 2.7Å; Y93-D141 WeakPolarHBondContact CD2-O 3.36Å; Y93-M143 HydrophobicContact CE1-CB 4.33Å; Y93-M143 HydrophobicContact CE1-CE 4.48Å; Y93-M143 HydrophobicContact CE1-CG 4.1Å; Y93-M143 HydrophobicContact CE2-CB 4.04Å; Y93-M143 WeakPolarHBondContact OH-CB 3.16Å; Y93-M143 WeakPolarHBondContact OH-CE 3.25Å; Y93-F161 HydrophobicContact CD1-CD2 4Å; Y93-F161 HydrophobicContact CD1-CE2 4.25Å; Y93-F161 HydrophobicContact CD1-CG 4.44Å; Y93-F161 HydrophobicContact CE1-CB 4.05Å; Y93-F161 AromaticContact CE1-CD2 3.74Å; Y93-F161 HydrophobicContact CE1-CD2 3.74Å; Y93-F161 HydrophobicContact CE1-CE2 4.44Å; Y93-F161 AromaticContact CE1-CG 3.98Å; Y93-F161 HydrophobicContact CE1-CG 3.98Å; Y93-G164 WeakPolarHBondContact OH-CA 3.32Å
94L97.5Very high97Very high23 Ų2366.2 Ų66.212%0.1233%0.329CS..Hα-helixtrans-62.9-28.2176.3-75.1172.9000113.3L90 L92 I97 I98 V116 F161L90-L94 HydrophobicContact CD1-CD1 3.93Å; L90-L94 HydrophobicContact CD1-CD2 4.43Å; L90-L94 HydrophobicContact CD1-CG 3.91Å; L90-L94 HydrophobicContact CG-CD1 3.93Å; L90-L94 HydrophobicContact CG-CG 4.33Å; L90-L94 WeakPolarHBondContact O-CB 3.35Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.19Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 2.82Å; L94-I97 PolarHBondContact O-N 3.24Å; L94-I98 WeakPolarHBondContact O-CB 3.42Å; L94-I98 WeakPolarHBondContact O-CD1 3.29Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 3.28Å; L94-V116 HydrophobicContact CD1-CG1 3.85Å; L94-V116 HydrophobicContact CD2-CB 4.43Å; L94-V116 HydrophobicContact CD2-CG1 3.79Å; L94-V116 HydrophobicContact CD2-CG2 4.12Å; L94-V116 HydrophobicContact CG-CG1 4.42Å; L94-F161 HydrophobicContact CD2-CE1 3.81Å; L94-F161 HydrophobicContact CD2-CZ 4.2Å
95K97.4Very high96.8Very high122 Ų12260.4 Ų60.453%0.5331%0.306SS..Hα-helixtrans-65-45.3172.9-66.9170.8-176177.80110.2N91 L92 Y93 I97 I98 E99N91-K95 WeakPolarHBondContact O-CG 3.5Å; L92-K95 WeakPolarHBondContact O-CB 3.3Å; L92-K95 PolarHBondContact O-N 3.4Å; Y93-K95 PolarHBondContact O-N 3.46Å; K95-I97 VanDerWaalsContact C-N 3.33Å; K95-I97 PolarHBondContact O-N 3.4Å; K95-I98 PolarHBondContact O-N 3.09Å; K95-E99 WeakPolarHBondContact O-CG 3.46Å; K95-E99 PolarHBondContact O-N 3.21Å
96T96.9Very high96.7Very high48 Ų4861.8 Ų61.829%0.29431%0.314SS..Hα-helixtrans-59.2-44.4176.5-46.80000111.7M7 I8 Y93 E99 R100M7-T96 HydrophobicContact CE-CG2 3.87Å; I8-T96 HydrophobicContact CD1-CG2 4.03Å; I8-T96 HydrophobicContact CG1-CG2 4.48Å; Y93-T96 WeakPolarHBondContact O-CB 3.23Å; Y93-T96 PolarHBondContact O-N 2.87Å; Y93-T96 VanDerWaalsContact O-N 3.08Å; T96-E99 PolarHBondContact O-N 2.82Å; T96-R100 PolarHBondContact O-N 3.21Å
97I97.3Very high96.5Very high1 Ų168.5 Ų68.51%0.00535%0.35CS..Hα-helixtrans-62.1-44.9175.7-62.5-75.4000111.3M7 Y93 L94 K95 R100 L101 L112 F161 D163 G164M7-I97 HydrophobicContact CE-CD1 3.41Å; M7-I97 VanDerWaalsContact CE-CD1 3.41Å; M7-I97 HydrophobicContact CE-CG1 4.1Å; Y93-I97 HydrophobicContact CD1-CD1 4.47Å; Y93-I97 HydrophobicContact CD1-CG1 3.96Å; Y93-I97 HydrophobicContact CE1-CD1 3.73Å; Y93-I97 HydrophobicContact CE1-CG1 3.72Å; Y93-I97 WeakPolarHBondContact O-CG1 3.28Å; Y93-I97 PolarHBondContact O-N 2.7Å; L94-I97 PolarHBondContact O-N 3.24Å; K95-I97 VanDerWaalsContact C-N 3.33Å; K95-I97 PolarHBondContact O-N 3.4Å; I97-R100 PolarHBondContact O-N 3.29Å; I97-L101 HydrophobicContact CG2-CD1 4.34Å; I97-L101 PolarHBondContact O-N 3.31Å; I97-L112 HydrophobicContact CG2-CD1 4.1Å; I97-L112 HydrophobicContact CG2-CD2 3.78Å; I97-F161 HydrophobicContact CD1-CB 4.19Å; I97-D163 HydrophobicContact CD1-CB 4.43Å; I97-D163 HydrophobicContact CG2-CB 4.09Å; I97-G164 VanDerWaalsContact CD1-N 3.29Å
98I97.1Very high96.4Very high33 Ų3366.9 Ų66.917%0.16934%0.343CS..Hα-helixtrans-63.5-43.8178.8-72.2164.6000111L94 K95 R100 L101 Q102 V109 L112L94-I98 WeakPolarHBondContact O-CB 3.42Å; L94-I98 WeakPolarHBondContact O-CD1 3.29Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 3.28Å; K95-I98 PolarHBondContact O-N 3.09Å; I98-R100 VanDerWaalsContact C-N 3.27Å; I98-R100 PolarHBondContact O-N 2.87Å; I98-L101 PolarHBondContact O-N 2.82Å; I98-Q102 HydrophobicContact CG2-CG 4.31Å; I98-Q102 WeakPolarHBondContact O-CB 3.4Å; I98-Q102 VanDerWaalsContact O-CG 3.27Å; I98-Q102 WeakPolarHBondContact O-CG 3.46Å; I98-Q102 PolarHBondContact O-N 3.12Å; I98-V109 HydrophobicContact CG2-CG1 4.01Å; I98-L112 HydrophobicContact CD1-CD2 4.47Å; I98-L112 HydrophobicContact CG1-CD2 3.62Å
99E96.3Very high96.2Very high107 Ų10765.1 Ų65.150%0.533%0.327SS..Hα-helixtrans-61.4-36.7177.5-75.2176.5-164.700112.1K95 T96 K103K95-E99 WeakPolarHBondContact O-CG 3.46Å; K95-E99 PolarHBondContact O-N 3.21Å; T96-E99 PolarHBondContact O-N 2.82Å; E99-K103 WeakPolarHBondContact O-CG 3.42Å
100R94.8Very high95.9Very high73 Ų7368.5 Ų68.528%0.27535%0.351SS..Hα-helixtrans-67.2-51.3172.8180170.4174.1166.5-6.3111.3M7 T96 I97 I98 Q102 K103 T104 D163 L165M7-R100 WeakPolarHBondContact SD-CD 3.46Å; M7-R100 PolarHBondContact SD-NH1 2.66Å; T96-R100 PolarHBondContact O-N 3.21Å; I97-R100 PolarHBondContact O-N 3.29Å; I98-R100 VanDerWaalsContact C-N 3.27Å; I98-R100 PolarHBondContact O-N 2.87Å; R100-Q102 VanDerWaalsContact C-N 3.27Å; R100-Q102 PolarHBondContact O-N 3.17Å; R100-K103 WeakPolarHBondContact O-CA 3.3Å; R100-K103 WeakPolarHBondContact O-CB 3.47Å; R100-K103 PolarHBondContact O-N 2.93Å; R100-T104 HydrophobicContact CG-CG2 4.41Å; R100-T104 PolarHBondContact O-N 3.46Å; R100-T104 PolarHBondContact O-OG1 2.93Å; R100-D163 WeakPolarHBondContact CD-O 3.27Å; R100-L165 PolarHBondContact NH1-O 3.14Å; R100-L165 PolarHBondContact NH2-O 3.2Å
101L95.2Very high95.8Very high1 Ų171.8 Ų71.81%0.00537%0.368CS..Hα-helixtrans-60-36.1179-79.9-179.7000112.6F26 I97 I98 K103 T104 D105 P106 V109 L112 D163F26-L101 HydrophobicContact CE1-CD1 4.38Å; I97-L101 HydrophobicContact CG2-CD1 4.34Å; I97-L101 PolarHBondContact O-N 3.31Å; I98-L101 PolarHBondContact O-N 2.82Å; L101-K103 PolarHBondContact O-N 3.12Å; L101-K103 VanDerWaalsContact O-N 3.14Å; L101-T104 PolarHBondContact O-N 3.18Å; L101-D105 HydrophobicContact CD2-CB 4.34Å; L101-D105 CarbonylContact O-C 2.96Å; L101-D105 WeakPolarHBondContact O-CA 3.47Å; L101-D105 PolarHBondContact O-N 3.1Å; L101-P106 VanDerWaalsContact O-N 3.09Å; L101-V109 HydrophobicContact CB-CG2 3.78Å; L101-L112 HydrophobicContact CD1-CB 4.1Å; L101-L112 HydrophobicContact CD1-CD1 4.27Å; L101-L112 HydrophobicContact CD1-CD2 3.87Å; L101-L112 HydrophobicContact CD1-CG 4.28Å; L101-D163 HydrophobicContact CD2-CB 4.32Å; L101-D163 WeakPolarHBondContact CD2-OD1 3.42Å; L101-D163 HydrophobicContact CG-CB 4.41Å
102Q96.2Very high95.7Very high118 Ų11867.1 Ų67.155%0.55134%0.343SS*.Hα-helixtrans-58.3-27.8174.2-78.1174.3-1600113.1I98 R100 V109I98-Q102 HydrophobicContact CG2-CG 4.31Å; I98-Q102 WeakPolarHBondContact O-CB 3.4Å; I98-Q102 VanDerWaalsContact O-CG 3.27Å; I98-Q102 WeakPolarHBondContact O-CG 3.46Å; I98-Q102 PolarHBondContact O-N 3.12Å; R100-Q102 VanDerWaalsContact C-N 3.27Å; R100-Q102 PolarHBondContact O-N 3.17Å; Q102-V109 HydrophobicContact CG-CG2 4.15Å
103K95.4Very high95.5Very high176 Ų17668 Ų6877%0.76534%0.343SS*.Hα-helixtrans-89.8-31178.2-62.6170-173.1170.40112.7E99 R100 L101E99-K103 WeakPolarHBondContact O-CG 3.42Å; R100-K103 WeakPolarHBondContact O-CA 3.3Å; R100-K103 WeakPolarHBondContact O-CB 3.47Å; R100-K103 PolarHBondContact O-N 2.93Å; L101-K103 PolarHBondContact O-N 3.12Å; L101-K103 VanDerWaalsContact O-N 3.14Å
104T94.8Very high95.3Very high94 Ų9470.6 Ų70.658%0.57736%0.362SS*.Hα-helixtrans-104.2-41.2-171.758.20000113.8R100 L101R100-T104 HydrophobicContact CG-CG2 4.41Å; R100-T104 PolarHBondContact O-N 3.46Å; R100-T104 PolarHBondContact O-OG1 2.93Å; L101-T104 PolarHBondContact O-N 3.18Å
105D94.6Very high95.2Very high51 Ų5172.2 Ų72.227%0.27337%0.368SS..  trans-15675.2-176.5-167.3-13.6000110.6L101 D107 K108L101-D105 HydrophobicContact CD2-CB 4.34Å; L101-D105 CarbonylContact O-C 2.96Å; L101-D105 WeakPolarHBondContact O-CA 3.47Å; L101-D105 PolarHBondContact O-N 3.1Å; D105-D107 PolarHBondContact O-N 2.95Å; D105-K108 HydrophobicContact CB-CD 4.44Å; D105-K108 PolarHBondContact O-N 3.11Å; D105-K108 WeakPolarHBondContact OD2-CD 3.37Å; D105-K108 WeakPolarHBondContact OD2-CE 3.25Å; D105-K108 WeakPolarHBondContact OD2-CG 3.42Å; D105-K108 IonicContact OD2-NZ 3.38Å
106P94.8Very high95.2Very high73 Ų7366.5 Ų66.547%0.47434%0.344SS..G310 helixtrans-64.1-24.9-173.423.9-33.9000113.2L101 K108 V109L101-P106 VanDerWaalsContact O-N 3.09Å; P106-K108 PolarHBondContact O-N 3.05Å; P106-V109 WeakPolarHBondContact O-CB 3.27Å; P106-V109 WeakPolarHBondContact O-CG2 3.49Å; P106-V109 PolarHBondContact O-N 3.33Å
107D94.8Very high95Very high145 Ų14569.6 Ų69.678%0.77536%0.358SS*.G310 helixtrans-67.4-22.9-179.6-68-21.7000112.1D105 P110D105-D107 PolarHBondContact O-N 2.95Å; D107-P110 WeakPolarHBondContact O-CD 3.21Å
108K93.9Very high95Very high50 Ų5077.1 Ų77.122%0.21739%0.391CS..G310 helixtrans-80.8-16.2176-73-170.1-180-165.10114.5D25 F26 D105 P106 L111 L112D25-K108 IonicContact OD1-NZ 3.92Å; D25-K108 WeakPolarHBondContact OD2-CE 3.04Å; D25-K108 IonicContact OD2-NZ 3.38Å; D25-K108 PolarHBondContact OD2-NZ 2.89Å; F26-K108 HydrophobicContact CE1-CB 4.23Å; F26-K108 HydrophobicContact CE1-CD 4.42Å; F26-K108 HydrophobicContact CZ-CB 4.33Å; D105-K108 HydrophobicContact CB-CD 4.44Å; D105-K108 PolarHBondContact O-N 3.11Å; D105-K108 WeakPolarHBondContact OD2-CD 3.37Å; D105-K108 WeakPolarHBondContact OD2-CE 3.25Å; D105-K108 WeakPolarHBondContact OD2-CG 3.42Å; D105-K108 IonicContact OD2-NZ 3.38Å; P106-K108 PolarHBondContact O-N 3.05Å; K108-L111 CarbonylContact O-C 3.58Å; K108-L111 PolarHBondContact O-N 3.33Å; K108-L112 PolarHBondContact O-N 3.03Å
109V94.2Very high95Very high17 Ų1777 Ų7710%0.10339%0.389CS..Hα-helixtrans-57.4-42.8-175174.90000113.3I98 L101 Q102 P106 L111 K113I98-V109 HydrophobicContact CG2-CG1 4.01Å; L101-V109 HydrophobicContact CB-CG2 3.78Å; Q102-V109 HydrophobicContact CG-CG2 4.15Å; P106-V109 WeakPolarHBondContact O-CB 3.27Å; P106-V109 WeakPolarHBondContact O-CG2 3.49Å; P106-V109 PolarHBondContact O-N 3.33Å; V109-L111 VanDerWaalsContact C-N 3.33Å; V109-L111 PolarHBondContact O-N 3.47Å; V109-K113 PolarHBondContact O-N 3.49Å
110P92.9Very high95Very high93 Ų9372.2 Ų72.260%0.60437%0.366SS*.Hα-helixtrans-63.3-38.8174.6-22.534.9000112.9D107D107-P110 WeakPolarHBondContact O-CD 3.21Å
111L94.7Very high95.1Very high81 Ų8174.5 Ų74.542%0.42438%0.378SS..Hα-helixtrans-71.8-37.1-179.9-171.967.9000111.8F26 K108 V109 K113 S114 Q115F26-L111 HydrophobicContact CE2-CB 4.27Å; F26-L111 HydrophobicContact CE2-CD2 4Å; F26-L111 HydrophobicContact CE2-CG 3.77Å; F26-L111 HydrophobicContact CZ-CB 4.03Å; F26-L111 HydrophobicContact CZ-CD2 4.05Å; F26-L111 HydrophobicContact CZ-CG 3.97Å; K108-L111 CarbonylContact O-C 3.58Å; K108-L111 PolarHBondContact O-N 3.33Å; V109-L111 VanDerWaalsContact C-N 3.33Å; V109-L111 PolarHBondContact O-N 3.47Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 2.99Å; L111-S114 PolarHBondContact O-N 3.27Å; L111-S114 PolarHBondContact O-OG 3.02Å; L111-Q115 HydrophobicContact CD1-CG 3.99Å; L111-Q115 HydrophobicContact CG-CG 4.04Å; L111-Q115 WeakPolarHBondContact O-CB 3.28Å; L111-Q115 VanDerWaalsContact O-CG 3.25Å; L111-Q115 WeakPolarHBondContact O-CG 3.23Å; L111-Q115 PolarHBondContact O-N 3.13Å
112L95.8Very high95.1Very high2 Ų278.4 Ų78.41%0.0140%0.399CS..Hα-helixtrans-53.2-52.4173.6175.179.6000109.9F26 I97 I98 L101 K108 S114 Q115 V116F26-L112 HydrophobicContact CB-CD1 4.07Å; F26-L112 HydrophobicContact CD1-CB 4.11Å; F26-L112 HydrophobicContact CD1-CD1 3.3Å; F26-L112 HydrophobicContact CD1-CG 4.31Å; F26-L112 HydrophobicContact CE1-CB 3.73Å; F26-L112 HydrophobicContact CE1-CD1 3.84Å; F26-L112 HydrophobicContact CE1-CG 4.42Å; F26-L112 HydrophobicContact CG-CD1 3.69Å; F26-L112 HydrophobicContact CZ-CB 4.01Å; F26-L112 VanDerWaalsContact CZ-N 3.34Å; I97-L112 HydrophobicContact CG2-CD1 4.1Å; I97-L112 HydrophobicContact CG2-CD2 3.78Å; I98-L112 HydrophobicContact CD1-CD2 4.47Å; I98-L112 HydrophobicContact CG1-CD2 3.62Å; L101-L112 HydrophobicContact CD1-CB 4.1Å; L101-L112 HydrophobicContact CD1-CD1 4.27Å; L101-L112 HydrophobicContact CD1-CD2 3.87Å; L101-L112 HydrophobicContact CD1-CG 4.28Å; K108-L112 PolarHBondContact O-N 3.03Å; L112-S114 VanDerWaalsContact C-N 3.33Å; L112-S114 PolarHBondContact O-N 2.85Å; L112-Q115 PolarHBondContact O-N 2.83Å; L112-V116 HydrophobicContact CD1-CG2 3.57Å; L112-V116 HydrophobicContact CG-CG2 3.93Å; L112-V116 VanDerWaalsContact O-CB 3.28Å; L112-V116 WeakPolarHBondContact O-CB 3.46Å; L112-V116 WeakPolarHBondContact O-CG2 3.33Å; L112-V116 PolarHBondContact O-N 2.85Å
113K92.1Very high95.1Very high116 Ų11672.8 Ų72.850%0.50437%0.373SS..Hα-helixtrans-59.6-43.3-175.2-69.7-179-179.4-1800112.2V109 L111 N117V109-K113 PolarHBondContact O-N 3.49Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 2.99Å; K113-N117 VanDerWaalsContact O-CB 3.25Å; K113-N117 WeakPolarHBondContact O-CB 3.19Å; K113-N117 PolarHBondContact O-N 2.89Å; K113-N117 VanDerWaalsContact O-N 3.13Å; K113-N117 PolarHBondContact O-ND2 2.98Å
114S94.1Very high95.2Very high59 Ų5965.6 Ų65.641%0.41334%0.343SS..Hα-helixtrans-69.1-44.7179.762.40000111.9L111 L112 N117 K118L111-S114 PolarHBondContact O-N 3.27Å; L111-S114 PolarHBondContact O-OG 3.02Å; L112-S114 VanDerWaalsContact C-N 3.33Å; L112-S114 PolarHBondContact O-N 2.85Å; S114-N117 PolarHBondContact O-N 2.84Å; S114-K118 PolarHBondContact O-N 3.18Å
115Q95.8Very high95.4Very high56 Ų5666 Ų6626%0.26234%0.341SS..Hα-helixtrans-71.3-41.1-176.5-66.1-63.7101.200112.3A24 F26 L111 L112 K118 Y119A24-Q115 HydrophobicContact CB-CB 4.38Å; F26-Q115 HydrophobicContact CD2-CB 3.6Å; F26-Q115 HydrophobicContact CD2-CG 4.04Å; F26-Q115 HydrophobicContact CE2-CB 3.88Å; F26-Q115 HydrophobicContact CE2-CG 3.86Å; L111-Q115 HydrophobicContact CD1-CG 3.99Å; L111-Q115 HydrophobicContact CG-CG 4.04Å; L111-Q115 WeakPolarHBondContact O-CB 3.28Å; L111-Q115 VanDerWaalsContact O-CG 3.25Å; L111-Q115 WeakPolarHBondContact O-CG 3.23Å; L111-Q115 PolarHBondContact O-N 3.13Å; L112-Q115 PolarHBondContact O-N 2.83Å; Q115-K118 PolarHBondContact O-N 3.07Å; Q115-Y119 WeakPolarHBondContact O-CB 3.34Å; Q115-Y119 PolarHBondContact O-N 3.38Å
116V96.8Very high95.5Very high3 Ų365.9 Ų65.92%0.01834%0.341CS..Hα-helixtrans-63.2-45.8173.6172.90000110.7F27 L94 L112 K118 Y119 M120 F161F27-V116 HydrophobicContact CE2-CG2 4.45Å; F27-V116 HydrophobicContact CZ-CB 4.33Å; F27-V116 HydrophobicContact CZ-CG1 4.48Å; F27-V116 HydrophobicContact CZ-CG2 3.87Å; L94-V116 HydrophobicContact CD1-CG1 3.85Å; L94-V116 HydrophobicContact CD2-CB 4.43Å; L94-V116 HydrophobicContact CD2-CG1 3.79Å; L94-V116 HydrophobicContact CD2-CG2 4.12Å; L94-V116 HydrophobicContact CG-CG1 4.42Å; L112-V116 HydrophobicContact CD1-CG2 3.57Å; L112-V116 HydrophobicContact CG-CG2 3.93Å; L112-V116 VanDerWaalsContact O-CB 3.28Å; L112-V116 WeakPolarHBondContact O-CB 3.46Å; L112-V116 WeakPolarHBondContact O-CG2 3.33Å; L112-V116 PolarHBondContact O-N 2.85Å; V116-K118 VanDerWaalsContact C-N 3.27Å; V116-K118 PolarHBondContact O-N 3.4Å; V116-Y119 PolarHBondContact O-N 3Å; V116-M120 HydrophobicContact CG1-CG 3.76Å; V116-M120 VanDerWaalsContact O-CB 3.23Å; V116-M120 WeakPolarHBondContact O-CB 3.48Å; V116-M120 VanDerWaalsContact O-CG 3.3Å; V116-M120 WeakPolarHBondContact O-CG 3.28Å; V116-M120 PolarHBondContact O-N 3.04Å; V116-F161 HydrophobicContact CG1-CE1 4.21Å; V116-F161 HydrophobicContact CG1-CZ 4.44Å; V116-F161 HydrophobicContact CG2-CE1 3.93Å
117N94.4Very high95.6Very high112 Ų11263.6 Ų63.660%0.59932%0.323SS*.Hα-helixtrans-58.9-41177.4-79.2-25.6000111.8K113 S114 K121K113-N117 VanDerWaalsContact O-CB 3.25Å; K113-N117 WeakPolarHBondContact O-CB 3.19Å; K113-N117 PolarHBondContact O-N 2.89Å; K113-N117 VanDerWaalsContact O-N 3.13Å; K113-N117 PolarHBondContact O-ND2 2.98Å; S114-N117 PolarHBondContact O-N 2.84Å; N117-K121 WeakPolarHBondContact O-CB 3.35Å; N117-K121 PolarHBondContact O-N 3.36Å
118K96.1Very high95.7Very high160 Ų16063.4 Ų63.470%0.69632%0.323SS*.Hα-helixtrans-64.9-47.8177.4-175.2179178.4-177.90111.9S114 Q115 V116S114-K118 PolarHBondContact O-N 3.18Å; Q115-K118 PolarHBondContact O-N 3.07Å; V116-K118 VanDerWaalsContact C-N 3.27Å; V116-K118 PolarHBondContact O-N 3.4Å
119Y96.8Very high95.8Very high31 Ų3165.9 Ų65.912%0.12234%0.335CS..Hα-helixtrans-67.8-49.3-178.9-165-77000111.3V23 F27 E29 Q115 V116 K121 N122 V123 V159V23-Y119 HydrophobicContact CG1-CD2 4.21Å; V23-Y119 HydrophobicContact CG1-CE2 3.83Å; F27-Y119 HydrophobicContact CD2-CD1 4.47Å; F27-Y119 AromaticContact CD2-CD2 3.84Å; F27-Y119 HydrophobicContact CD2-CD2 3.84Å; F27-Y119 HydrophobicContact CD2-CE2 4.34Å; F27-Y119 AromaticContact CD2-CG 3.92Å; F27-Y119 HydrophobicContact CD2-CG 3.92Å; F27-Y119 HydrophobicContact CE1-CD1 4.47Å; F27-Y119 VanDerWaalsContact CE2-CB 3.46Å; F27-Y119 HydrophobicContact CE2-CD1 4.17Å; F27-Y119 AromaticContact CE2-CD2 3.96Å; F27-Y119 HydrophobicContact CE2-CD2 3.96Å; F27-Y119 AromaticContact CE2-CG 3.59Å; F27-Y119 HydrophobicContact CE2-CG 3.59Å; F27-Y119 HydrophobicContact CZ-CD1 4.16Å; F27-Y119 HydrophobicContact CZ-CG 4Å; E29-Y119 PolarHBondContact OE1-OH 2.67Å; Q115-Y119 WeakPolarHBondContact O-CB 3.34Å; Q115-Y119 PolarHBondContact O-N 3.38Å; V116-Y119 PolarHBondContact O-N 3Å; Y119-K121 VanDerWaalsContact C-N 3.26Å; Y119-K121 PolarHBondContact O-N 3.45Å; Y119-N122 WeakPolarHBondContact O-CB 3.46Å; Y119-N122 PolarHBondContact O-N 3.43Å; Y119-V123 HydrophobicContact CD1-CG2 3.93Å; Y119-V123 HydrophobicContact CE1-CG2 3.85Å; Y119-V123 PolarHBondContact O-N 2.9Å; Y119-V159 HydrophobicContact CE1-CG1 3.86Å; Y119-V159 HydrophobicContact CE1-CG2 4.39Å; Y119-V159 VanDerWaalsContact OH-CG2 3.28Å; Y119-V159 WeakPolarHBondContact OH-CG2 3.42Å
120M96.6Very high96Very high5 Ų565.7 Ų65.73%0.02533%0.332CS..Hα-helixtrans-68.3-24.9-178.4-65.6-62.3143.500112.7F27 Y86 L90 V116 N122 V123 L124 L146 F161F27-M120 HydrophobicContact CD1-CE 4.34Å; F27-M120 HydrophobicContact CE1-CE 3.4Å; F27-M120 VanDerWaalsContact CE1-CE 3.4Å; F27-M120 HydrophobicContact CZ-CE 3.7Å; Y86-M120 HydrophobicContact CE1-SD 4.45Å; L90-M120 HydrophobicContact CD1-CG 4.4Å; L90-M120 HydrophobicContact CD1-SD 4.48Å; L90-M120 HydrophobicContact CD2-CB 4Å; L90-M120 HydrophobicContact CD2-CG 3.74Å; L90-M120 HydrophobicContact CD2-SD 4.13Å; V116-M120 HydrophobicContact CG1-CG 3.76Å; V116-M120 VanDerWaalsContact O-CB 3.23Å; V116-M120 WeakPolarHBondContact O-CB 3.48Å; V116-M120 VanDerWaalsContact O-CG 3.3Å; V116-M120 WeakPolarHBondContact O-CG 3.28Å; V116-M120 PolarHBondContact O-N 3.04Å; M120-N122 VanDerWaalsContact C-N 3.32Å; M120-N122 PolarHBondContact O-N 2.86Å; M120-V123 PolarHBondContact O-N 3.08Å; M120-V123 HydrophobicContact SD-CB 4.33Å; M120-V123 HydrophobicContact SD-CG2 4.09Å; M120-L124 WeakPolarHBondContact O-CB 3.41Å; M120-L124 WeakPolarHBondContact O-CD1 3.37Å; M120-L124 WeakPolarHBondContact O-CG 3.47Å; M120-L124 PolarHBondContact O-N 3.27Å; M120-L146 HydrophobicContact CE-CD1 3.97Å; M120-L146 HydrophobicContact SD-CD1 4.21Å; M120-F161 HydrophobicContact CE-CE2 4.29Å; M120-F161 HydrophobicContact CE-CZ 3.88Å
121K96.5Very high96.3Very high121 Ų12165.2 Ų65.253%0.52632%0.322SS..Hα-helixtrans-58.8-44.6168.4175.4165.1173.6450111.6N117 Y119 L124 D125N117-K121 WeakPolarHBondContact O-CB 3.35Å; N117-K121 PolarHBondContact O-N 3.36Å; Y119-K121 VanDerWaalsContact C-N 3.26Å; Y119-K121 PolarHBondContact O-N 3.45Å; K121-L124 PolarHBondContact O-N 3.05Å; K121-D125 WeakPolarHBondContact CG-OD2 3.12Å; K121-D125 IonicContact NZ-OD1 2.7Å; K121-D125 PolarHBondContact NZ-OD1 2.85Å; K121-D125 IonicContact NZ-OD2 2.75Å; K121-D125 PolarHBondContact NZ-OD2 3.41Å; K121-D125 WeakPolarHBondContact O-CB 3.44Å; K121-D125 PolarHBondContact O-N 3.35Å
122N95.6Very high96.5Very high84 Ų8461.7 Ų61.745%0.44930%0.303SS..Hα-helixtrans-64.8-42.5177.3175.2-97.1000111.8Y119 M120 L124 D125 N126Y119-N122 WeakPolarHBondContact O-CB 3.46Å; Y119-N122 PolarHBondContact O-N 3.43Å; M120-N122 VanDerWaalsContact C-N 3.32Å; M120-N122 PolarHBondContact O-N 2.86Å; N122-L124 VanDerWaalsContact C-N 3.32Å; N122-L124 PolarHBondContact O-N 3.39Å; N122-D125 PolarHBondContact O-N 3.03Å; N122-N126 PolarHBondContact ND2-ND2 3.02Å; N122-N126 PolarHBondContact O-N 2.84Å; N122-N126 PolarHBondContact O-ND2 2.81Å
123V97.1Very high96.6Very high0 Ų062.5 Ų62.50%031%0.306CS..Hα-helixtrans-57.9-46.1174.7176.90000110.9Y86 Y119 M120 N126 F127 Y130 L146Y86-V123 HydrophobicContact CE1-CG1 4.41Å; Y119-V123 HydrophobicContact CD1-CG2 3.93Å; Y119-V123 HydrophobicContact CE1-CG2 3.85Å; Y119-V123 PolarHBondContact O-N 2.9Å; M120-V123 PolarHBondContact O-N 3.08Å; M120-V123 HydrophobicContact SD-CB 4.33Å; M120-V123 HydrophobicContact SD-CG2 4.09Å; V123-N126 CarbonylContact O-C 3.53Å; V123-N126 VanDerWaalsContact O-C 3.3Å; V123-N126 PolarHBondContact O-N 3.07Å; V123-F127 WeakPolarHBondContact O-CA 3.37Å; V123-F127 PolarHBondContact O-N 2.92Å; V123-Y130 HydrophobicContact CB-CE2 4.21Å; V123-Y130 HydrophobicContact CG1-CD1 4.31Å; V123-Y130 HydrophobicContact CG1-CD2 3.99Å; V123-Y130 HydrophobicContact CG1-CE1 4.45Å; V123-Y130 HydrophobicContact CG1-CE2 4.17Å; V123-Y130 HydrophobicContact CG1-CG 4.06Å; V123-Y130 HydrophobicContact CG2-CE1 4.17Å; V123-Y130 HydrophobicContact CG2-CE2 4.23Å; V123-L146 HydrophobicContact CB-CD1 4.49Å; V123-L146 HydrophobicContact CG1-CD1 3.87Å; V123-L146 HydrophobicContact CG2-CD1 3.84Å
124L97.2Very high96.8Very high24 Ų2458.5 Ų58.513%0.12629%0.29CS..Hα-helixtrans-72.1-34.1-178.4-69.4168.8000113.2Q83 Y86 K87 M120 K121 N122 N126 F127Q83-L124 PolarHBondContact NE2-O 3.43Å; Y86-L124 HydrophobicContact CD1-CD2 4.07Å; K87-L124 HydrophobicContact CD-CD1 4.31Å; K87-L124 HydrophobicContact CD-CD2 4.33Å; K87-L124 HydrophobicContact CG-CD1 4.06Å; K87-L124 HydrophobicContact CG-CD2 3.91Å; M120-L124 WeakPolarHBondContact O-CB 3.41Å; M120-L124 WeakPolarHBondContact O-CD1 3.37Å; M120-L124 WeakPolarHBondContact O-CG 3.47Å; M120-L124 PolarHBondContact O-N 3.27Å; K121-L124 PolarHBondContact O-N 3.05Å; N122-L124 VanDerWaalsContact C-N 3.32Å; N122-L124 PolarHBondContact O-N 3.39Å; L124-N126 VanDerWaalsContact C-N 3.27Å; L124-F127 HydrophobicContact CD2-CD2 4.11Å
125D97.7Very high96.8Very high103 Ų10356 Ų5655%0.55127%0.273SS*.Hα-helixtrans-71.3-25.2176.6-69.6-16.6000111.3K121 N122K121-D125 WeakPolarHBondContact CG-OD2 3.12Å; K121-D125 IonicContact NZ-OD1 2.7Å; K121-D125 PolarHBondContact NZ-OD1 2.85Å; K121-D125 IonicContact NZ-OD2 2.75Å; K121-D125 PolarHBondContact NZ-OD2 3.41Å; K121-D125 WeakPolarHBondContact O-CB 3.44Å; K121-D125 PolarHBondContact O-N 3.35Å; N122-D125 PolarHBondContact O-N 3.03Å
126N96.8Very high96.6Very high49 Ų4956.2 Ų56.226%0.26228%0.28SS..THydrogen-bonded Turntrans-117.732.4177.6-55.4-81000112.3N122 V123 L124 D128 Q129 Y130N122-N126 PolarHBondContact ND2-ND2 3.02Å; N122-N126 PolarHBondContact O-N 2.84Å; N122-N126 PolarHBondContact O-ND2 2.81Å; V123-N126 CarbonylContact O-C 3.53Å; V123-N126 VanDerWaalsContact O-C 3.3Å; V123-N126 PolarHBondContact O-N 3.07Å; L124-N126 VanDerWaalsContact C-N 3.27Å; N126-D128 PolarHBondContact O-N 2.75Å; N126-D128 VanDerWaalsContact O-N 3.12Å; N126-Q129 HydrophobicContact CB-CG 4.4Å; N126-Q129 WeakPolarHBondContact O-CB 3.37Å; N126-Q129 PolarHBondContact O-N 2.5Å; N126-Y130 HydrophobicContact CB-CE2 4.43Å; N126-Y130 WeakPolarHBondContact O-CD2 3.18Å
127F97.8Very high96.4Very high24 Ų2459.8 Ų59.811%0.10530%0.302CS..G310 helixtrans-58.5-31.1-166.7-173.4-92.5000114.3F81 D82 Q83 Y86 V123 L124 Q129 Y130 F132F81-F127 HydrophobicContact CB-CZ 3.9Å; F81-F127 WeakPolarHBondContact O-CE1 3.15Å; D82-F127 VanDerWaalsContact C-CZ 3.4Å; Q83-F127 HydrophobicContact CG-CB 3.86Å; Q83-F127 HydrophobicContact CG-CD1 3.76Å; Q83-F127 HydrophobicContact CG-CD2 3.81Å; Q83-F127 HydrophobicContact CG-CE1 4.23Å; Q83-F127 HydrophobicContact CG-CE2 4.25Å; Q83-F127 HydrophobicContact CG-CG 3.52Å; Q83-F127 HydrophobicContact CG-CZ 4.45Å; Y86-F127 AromaticContact CD1-CE2 3.84Å; Y86-F127 HydrophobicContact CD1-CE2 3.84Å; Y86-F127 AromaticContact CG-CE2 3.97Å; Y86-F127 HydrophobicContact CG-CE2 3.97Å; V123-F127 WeakPolarHBondContact O-CA 3.37Å; V123-F127 PolarHBondContact O-N 2.92Å; L124-F127 HydrophobicContact CD2-CD2 4.11Å; F127-Q129 PolarHBondContact O-N 2.98Å; F127-Y130 PolarHBondContact O-N 2.97Å; F127-Y130 VanDerWaalsContact O-N 3.17Å; F127-F132 HydrophobicContact CD1-CE2 4.49Å; F127-F132 HydrophobicContact CD2-CE2 4.28Å; F127-F132 AromaticContact CD2-CZ 3.62Å; F127-F132 HydrophobicContact CD2-CZ 3.62Å; F127-F132 AromaticContact CE1-CE2 3.91Å; F127-F132 HydrophobicContact CE1-CE2 3.91Å; F127-F132 HydrophobicContact CE1-CZ 4.17Å; F127-F132 AromaticContact CE2-CE1 3.83Å; F127-F132 HydrophobicContact CE2-CE1 3.83Å; F127-F132 AromaticContact CE2-CE2 3.68Å; F127-F132 HydrophobicContact CE2-CE2 3.68Å; F127-F132 AromaticContact CE2-CZ 3.09Å; F127-F132 HydrophobicContact CE2-CZ 3.09Å; F127-F132 HydrophobicContact CG-CZ 4.36Å; F127-F132 HydrophobicContact CZ-CD2 4.41Å; F127-F132 HydrophobicContact CZ-CE1 4.28Å; F127-F132 AromaticContact CZ-CE2 3.46Å; F127-F132 HydrophobicContact CZ-CE2 3.46Å; F127-F132 VanDerWaalsContact CZ-CE2 3.46Å; F127-F132 AromaticContact CZ-CZ 3.41Å; F127-F132 HydrophobicContact CZ-CZ 3.41Å; F127-F132 VanDerWaalsContact CZ-CZ 3.41Å
128D96.9Very high96.3Very high142 Ų14257 Ų5776%0.75929%0.292SS*.G310 helixtrans-68.5-17.2177.561.1-36.7000114N126N126-D128 PolarHBondContact O-N 2.75Å; N126-D128 VanDerWaalsContact O-N 3.12Å
129Q97.1Very high96.2Very high102 Ų10251.6 Ų51.648%0.47727%0.271SS..G310 helixtrans-87.5-11.8174.1-56.7179.4-1.500112.5N126 F127 N148N126-Q129 HydrophobicContact CB-CG 4.4Å; N126-Q129 WeakPolarHBondContact O-CB 3.37Å; N126-Q129 PolarHBondContact O-N 2.5Å; F127-Q129 PolarHBondContact O-N 2.98Å; Q129-N148 VanDerWaalsContact O-CG 3.25Å; Q129-N148 PolarHBondContact O-OD1 3.09Å
130Y98.3Very high96.1Very high13 Ų1354.7 Ų54.75%0.05130%0.295CS..  trans-98.4134-178.5-76-90.8000111.6V123 N126 F127 F132 L146 M147 N148 Y157V123-Y130 HydrophobicContact CB-CE2 4.21Å; V123-Y130 HydrophobicContact CG1-CD1 4.31Å; V123-Y130 HydrophobicContact CG1-CD2 3.99Å; V123-Y130 HydrophobicContact CG1-CE1 4.45Å; V123-Y130 HydrophobicContact CG1-CE2 4.17Å; V123-Y130 HydrophobicContact CG1-CG 4.06Å; V123-Y130 HydrophobicContact CG2-CE1 4.17Å; V123-Y130 HydrophobicContact CG2-CE2 4.23Å; N126-Y130 HydrophobicContact CB-CE2 4.43Å; N126-Y130 WeakPolarHBondContact O-CD2 3.18Å; F127-Y130 PolarHBondContact O-N 2.97Å; F127-Y130 VanDerWaalsContact O-N 3.17Å; Y130-F132 WeakPolarHBondContact O-CE2 3.24Å; Y130-L146 HydrophobicContact CD1-CB 3.96Å; Y130-L146 HydrophobicContact CE1-CB 4.32Å; Y130-M147 CarbonylContact C-O 3.59Å; Y130-M147 VanDerWaalsContact CA-O 3.27Å; Y130-M147 WeakPolarHBondContact CA-O 3.11Å; Y130-N148 HydrophobicContact CD1-CB 3.71Å; Y130-N148 HydrophobicContact CE1-CB 3.61Å; Y130-N148 WeakPolarHBondContact CE2-ND2 3.23Å; Y130-N148 HydrophobicContact CG-CB 4.24Å; Y130-Y157 PolarHBondContact OH-OH 2.91Å
131E98.2Very high96Very high82 Ų8259.2 Ų59.238%0.38332%0.319SS..EExtended strand (participates in β ladder)trans-99.8150.1162.5-66.7-178.2-158.400109.7Y133 M147E131-Y133 HydrophobicContact CB-CD2 4.42Å; E131-Y133 HydrophobicContact CB-CE2 3.67Å; E131-Y133 PolarHBondContact OE2-OH 3.35Å; E131-M147 HydrophobicContact CB-CB 4.28Å; E131-M147 HydrophobicContact CB-SD 4.18Å; E131-M147 HydrophobicContact CG-SD 4.43Å; E131-M147 PolarHBondContact N-O 3Å; E131-M147 PolarHBondContact O-N 3.31Å
132F98.6Very high96Very high8 Ų853.7 Ų53.74%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-120.5134.3-174.7-57.7-94.7000109.2S78 V79 F81 Y86 F127 Y130 I144 L146S78-F132 CarbonylContact C-O 3.3Å; S78-F132 WeakPolarHBondContact CA-O 3.05Å; V79-F132 PolarHBondContact N-O 3.39Å; F81-F132 HydrophobicContact CB-CD2 4.14Å; F81-F132 HydrophobicContact CB-CE2 4.47Å; F81-F132 HydrophobicContact CB-CG 4.3Å; F81-F132 HydrophobicContact CD2-CB 3.68Å; F81-F132 HydrophobicContact CD2-CD1 4.16Å; F81-F132 HydrophobicContact CD2-CD2 4.45Å; F81-F132 AromaticContact CD2-CG 3.84Å; F81-F132 HydrophobicContact CD2-CG 3.84Å; F81-F132 HydrophobicContact CE2-CB 4.33Å; Y86-F132 HydrophobicContact CD1-CE1 4Å; Y86-F132 AromaticContact CD2-CD1 3.7Å; Y86-F132 HydrophobicContact CD2-CD1 3.7Å; Y86-F132 AromaticContact CD2-CE1 3.6Å; Y86-F132 HydrophobicContact CD2-CE1 3.6Å; Y86-F132 HydrophobicContact CE1-CE1 4.08Å; Y86-F132 AromaticContact CE2-CD1 3.79Å; Y86-F132 HydrophobicContact CE2-CD1 3.79Å; Y86-F132 AromaticContact CE2-CE1 3.7Å; Y86-F132 HydrophobicContact CE2-CE1 3.7Å; Y86-F132 HydrophobicContact CG-CD1 4.29Å; Y86-F132 AromaticContact CG-CE1 3.77Å; Y86-F132 HydrophobicContact CG-CE1 3.77Å; Y86-F132 HydrophobicContact CG-CZ 4.48Å; Y86-F132 AromaticContact CZ-CE1 3.96Å; F127-F132 HydrophobicContact CD1-CE2 4.49Å; F127-F132 HydrophobicContact CD2-CE2 4.28Å; F127-F132 AromaticContact CD2-CZ 3.62Å; F127-F132 HydrophobicContact CD2-CZ 3.62Å; F127-F132 AromaticContact CE1-CE2 3.91Å; F127-F132 HydrophobicContact CE1-CE2 3.91Å; F127-F132 HydrophobicContact CE1-CZ 4.17Å; F127-F132 AromaticContact CE2-CE1 3.83Å; F127-F132 HydrophobicContact CE2-CE1 3.83Å; F127-F132 AromaticContact CE2-CE2 3.68Å; F127-F132 HydrophobicContact CE2-CE2 3.68Å; F127-F132 AromaticContact CE2-CZ 3.09Å; F127-F132 HydrophobicContact CE2-CZ 3.09Å; F127-F132 HydrophobicContact CG-CZ 4.36Å; F127-F132 HydrophobicContact CZ-CD2 4.41Å; F127-F132 HydrophobicContact CZ-CE1 4.28Å; F127-F132 AromaticContact CZ-CE2 3.46Å; F127-F132 HydrophobicContact CZ-CE2 3.46Å; F127-F132 VanDerWaalsContact CZ-CE2 3.46Å; F127-F132 AromaticContact CZ-CZ 3.41Å; F127-F132 HydrophobicContact CZ-CZ 3.41Å; F127-F132 VanDerWaalsContact CZ-CZ 3.41Å; Y130-F132 WeakPolarHBondContact O-CE2 3.24Å; F132-I144 HydrophobicContact CB-CG2 3.83Å; F132-I144 HydrophobicContact CD1-CG2 3.81Å; F132-I144 HydrophobicContact CG-CG2 4.31Å; F132-L146 HydrophobicContact CD1-CD2 3.32Å; F132-L146 HydrophobicContact CE1-CD2 3.27Å; F132-L146 HydrophobicContact CG-CD2 4.45Å; F132-L146 HydrophobicContact CZ-CD2 4.36Å
133Y98.3Very high96.1Very high19 Ų1949.8 Ų49.88%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-130.7149.5-176.7-70.8-89.9000110.5V71 F76 I77 E131 I144 V145 M147 F158V71-Y133 HydrophobicContact CG1-CD1 4.25Å; V71-Y133 HydrophobicContact CG1-CE1 3.8Å; V71-Y133 HydrophobicContact CG2-CD1 4.29Å; V71-Y133 HydrophobicContact CG2-CE1 3.93Å; F76-Y133 HydrophobicContact CB-CD1 3.89Å; F76-Y133 HydrophobicContact CB-CG 4.34Å; I77-Y133 CarbonylContact O-C 3.44Å; I77-Y133 VanDerWaalsContact O-CA 3.31Å; I77-Y133 WeakPolarHBondContact O-CA 3.36Å; E131-Y133 HydrophobicContact CB-CD2 4.42Å; E131-Y133 HydrophobicContact CB-CE2 3.67Å; E131-Y133 PolarHBondContact OE2-OH 3.35Å; Y133-I144 CarbonylContact O-C 3.55Å; Y133-I144 WeakPolarHBondContact O-CA 3.18Å; Y133-V145 PolarHBondContact N-O 3.06Å; Y133-V145 PolarHBondContact O-N 3.2Å; Y133-M147 HydrophobicContact CD2-CB 3.92Å; Y133-M147 HydrophobicContact CE2-CB 3.76Å; Y133-M147 HydrophobicContact CE2-CG 4.23Å; Y133-F158 HydrophobicContact CD2-CE1 4.08Å; Y133-F158 HydrophobicContact CE2-CE1 4.3Å
134M96.2Very high96.2Very high32 Ų3250.3 Ų50.316%0.15828%0.278CS..EExtended strand (participates in β ladder)trans-126.8159.4168.668.7-177.5-173.200110.5F76 I77 V79 S138 I144F76-M134 WeakPolarHBondContact CA-O 3.42Å; I77-M134 HydrophobicContact CB-CE 4.41Å; I77-M134 HydrophobicContact CB-CG 4.35Å; I77-M134 HydrophobicContact CG2-CE 4.31Å; I77-M134 PolarHBondContact N-O 3.41Å; I77-M134 PolarHBondContact O-N 3.34Å; V79-M134 HydrophobicContact CG2-CB 4.04Å; V79-M134 HydrophobicContact CG2-CE 4.16Å; V79-M134 HydrophobicContact CG2-CG 3.54Å; V79-M134 HydrophobicContact CG2-SD 3.6Å; M134-S138 VanDerWaalsContact CE-CA 3.45Å; M134-S138 WeakPolarHBondContact CE-OG 3.31Å; M134-I144 HydrophobicContact CB-CD1 3.8Å
135G94Very high96.2Very high5 Ų549.2 Ų49.25%0.05227%0.272CS..  trans-62.2157.7174.500000113.1D11 P137 S138D11-G135 VanDerWaalsContact OD2-CA 3.3Å; D11-G135 WeakPolarHBondContact OD2-CA 3.42Å; G135-P137 VanDerWaalsContact C-N 3.31Å; G135-S138 PolarHBondContact O-N 2.82Å
136P92.1Very high96.3Very high62 Ų6244.4 Ų44.440%0.40325%0.246SC..THydrogen-bonded Turntrans-50-39.1179.8-2126000115.4N74 G75 S138N74-P136 WeakPolarHBondContact O-CD 3.25Å; N74-P136 VanDerWaalsContact O-CG 3.27Å; N74-P136 WeakPolarHBondContact O-CG 3.04Å; G75-P136 WeakPolarHBondContact O-CG 3.35Å; P136-S138 PolarHBondContact O-N 2.94Å; P136-S138 PolarHBondContact O-OG 3.27Å
137P92.9Very high96.4Very high77 Ų7742.1 Ų42.150%0.523%0.234SC..THydrogen-bonded Turntrans-59.2-13.1177.5-25.836.5000114.1T9 D11 G135 N139T9-P137 HydrophobicContact CG2-CB 3.96Å; T9-P137 HydrophobicContact CG2-CG 4.25Å; D11-P137 HydrophobicContact CB-CG 4.37Å; D11-P137 WeakPolarHBondContact OD2-CD 3.39Å; G135-P137 VanDerWaalsContact C-N 3.31Å; P137-N139 PolarHBondContact O-N 3.21Å; P137-N139 VanDerWaalsContact O-N 3.11Å
138S91.8Very high96.4Very high53 Ų5341.7 Ų41.737%0.37123%0.233SC..  trans5830.2173.3-57.30000112.9I77 M134 G135 P136 P140I77-S138 WeakPolarHBondContact CD1-OG 3.37Å; M134-S138 VanDerWaalsContact CE-CA 3.45Å; M134-S138 WeakPolarHBondContact CE-OG 3.31Å; G135-S138 PolarHBondContact O-N 2.82Å; P136-S138 PolarHBondContact O-N 2.94Å; P136-S138 PolarHBondContact O-OG 3.27Å; S138-P140 WeakPolarHBondContact O-CD 3.46Å
139N94.6Very high96.4Very high48 Ų4838.1 Ų38.126%0.25721%0.21SC..  trans-74.4119.9-176.6-176.7-20.7000109.3T9 P137 D141 A142T9-N139 HydrophobicContact CG2-CB 3.49Å; T9-N139 VanDerWaalsContact CG2-CB 3.49Å; P137-N139 PolarHBondContact O-N 3.21Å; P137-N139 VanDerWaalsContact O-N 3.11Å; N139-D141 PolarHBondContact O-N 2.85Å; N139-D141 VanDerWaalsContact O-N 3.17Å; N139-D141 PolarHBondContact OD1-N 3.43Å; N139-A142 HydrophobicContact CB-CB 3.94Å; N139-A142 WeakPolarHBondContact O-CB 3.04Å; N139-A142 PolarHBondContact O-N 3.14Å; N139-A142 VanDerWaalsContact O-N 3.12Å
140P92.9Very high96.4Very high96 Ų9635.1 Ų35.162%0.62320%0.195SC*.THydrogen-bonded Turntrans-65.9-18.5-176.828.4-36.8000113.6H89 S138H89-P140 PolarHBondContact CD2-O 2.87Å; H89-P140 PolarHBondContact NE2-O 3.19Å; H89-P140 VanDerWaalsContact NE2-O 3.12Å; S138-P140 WeakPolarHBondContact O-CD 3.46Å
141D95.3Very high96.2Very high99 Ų9944.6 Ų44.653%0.52924%0.239SC..THydrogen-bonded Turntrans-90.5-13.7178.7-60.5-39.4000112.8I8 Y93 N139I8-D141 WeakPolarHBondContact CD1-O 3.49Å; Y93-D141 WeakPolarHBondContact CD2-O 3.36Å; N139-D141 PolarHBondContact O-N 2.85Å; N139-D141 VanDerWaalsContact O-N 3.17Å; N139-D141 PolarHBondContact OD1-N 3.43Å
142A96.9Very high96.1Very high6 Ų645.1 Ų45.15%0.0525%0.245CC..SBendtrans-73.2173.3179.800000112.9T9 H89 N139 I144T9-A142 HydrophobicContact CG2-CB 3.91Å; H89-A142 PolarHBondContact CE1-O 3.23Å; H89-A142 VanDerWaalsContact CE1-O 3.29Å; H89-A142 PolarHBondContact NE2-O 3.3Å; H89-A142 VanDerWaalsContact NE2-O 3.1Å; N139-A142 HydrophobicContact CB-CB 3.94Å; N139-A142 WeakPolarHBondContact O-CB 3.04Å; N139-A142 PolarHBondContact O-N 3.14Å; N139-A142 VanDerWaalsContact O-N 3.12Å; A142-I144 PolarHBondContact O-N 3.49Å
143M98Very high95.9Very high2 Ų247 Ų471%0.0127%0.267CS..PPolyproline II helixtrans-62.5134.3178.9-166.6-178.1-5500111.8D6 Y93 F160 F161 L165D6-M143 WeakPolarHBondContact OD2-CB 3.38Å; D6-M143 PolarHBondContact OD2-N 2.92Å; Y93-M143 HydrophobicContact CE1-CB 4.33Å; Y93-M143 HydrophobicContact CE1-CE 4.48Å; Y93-M143 HydrophobicContact CE1-CG 4.1Å; Y93-M143 HydrophobicContact CE2-CB 4.04Å; Y93-M143 WeakPolarHBondContact OH-CB 3.16Å; Y93-M143 WeakPolarHBondContact OH-CE 3.25Å; M143-F160 HydrophobicContact SD-CB 3.84Å; M143-F160 HydrophobicContact SD-CD1 3.95Å; M143-F160 HydrophobicContact SD-CG 4.39Å; M143-F161 HydrophobicContact CE-CB 3.95Å; M143-F161 WeakPolarHBondContact CE-O 3.47Å; M143-F161 HydrophobicContact CG-CD2 4.47Å; M143-F161 HydrophobicContact SD-CB 4.37Å; M143-F161 PolarHBondContact SD-N 3.07Å; M143-F161 VanDerWaalsContact SD-N 3.4Å; M143-L165 HydrophobicContact CE-CD2 3.81Å; M143-L165 HydrophobicContact CE-CG 4.02Å
144I98.3Very high95.7Very high11 Ų1152 Ų526%0.05629%0.292CS..PPolyproline II helixtrans-90.5118.8159.4-64.3-58.7000108.2F81 Y86 H89 F132 Y133 M134 A142 L146F81-I144 HydrophobicContact CE2-CD1 3.73Å; F81-I144 HydrophobicContact CE2-CG1 3.78Å; F81-I144 HydrophobicContact CE2-CG2 4.05Å; F81-I144 HydrophobicContact CZ-CD1 4.09Å; F81-I144 HydrophobicContact CZ-CG1 4Å; Y86-I144 HydrophobicContact CD2-CG2 4.47Å; Y86-I144 HydrophobicContact CE2-CB 4.37Å; Y86-I144 HydrophobicContact CE2-CG2 4.07Å; H89-I144 VanDerWaalsContact CE1-CG1 3.4Å; H89-I144 WeakPolarHBondContact CE1-CG1 3.44Å; F132-I144 HydrophobicContact CB-CG2 3.83Å; F132-I144 HydrophobicContact CD1-CG2 3.81Å; F132-I144 HydrophobicContact CG-CG2 4.31Å; Y133-I144 CarbonylContact O-C 3.55Å; Y133-I144 WeakPolarHBondContact O-CA 3.18Å; M134-I144 HydrophobicContact CB-CD1 3.8Å; A142-I144 PolarHBondContact O-N 3.49Å; I144-L146 HydrophobicContact CG2-CD2 4.45Å
145V98.4Very high95.8Very high0 Ų052.5 Ų52.50%030%0.297CS..EExtended strand (participates in β ladder)trans-82129.8175.1-168.70000108.6M13 F76 Y133 F158 F160M13-V145 HydrophobicContact CE-CG2 3.23Å; F76-V145 HydrophobicContact CE2-CG2 4.35Å; F76-V145 HydrophobicContact CZ-CG2 4.24Å; Y133-V145 PolarHBondContact N-O 3.06Å; Y133-V145 PolarHBondContact O-N 3.2Å; V145-F158 HydrophobicContact CG1-CB 3.99Å; V145-F158 HydrophobicContact CG1-CD1 3.69Å; V145-F158 HydrophobicContact CG1-CG 4.32Å; V145-F160 HydrophobicContact CB-CD1 4.41Å; V145-F160 HydrophobicContact CB-CE1 4.06Å; V145-F160 HydrophobicContact CG1-CD1 3.77Å; V145-F160 HydrophobicContact CG1-CD2 4.5Å; V145-F160 HydrophobicContact CG1-CE1 3.31Å; V145-F160 HydrophobicContact CG1-CE2 4.11Å; V145-F160 HydrophobicContact CG1-CG 4.34Å; V145-F160 HydrophobicContact CG1-CZ 3.5Å; V145-F160 VanDerWaalsContact CG1-CZ 3.5Å; V145-F160 HydrophobicContact CG2-CD1 3.85Å; V145-F160 HydrophobicContact CG2-CE1 3.51Å; V145-F160 HydrophobicContact CG2-CZ 4.44Å
146L98.6Very high96Very high3 Ų352.3 Ų52.32%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-92.1139.8175.4-52.1179.8000109.5Y86 M120 V123 Y130 F132 I144 F158 V159Y86-L146 HydrophobicContact CE2-CD2 3.92Å; Y86-L146 WeakPolarHBondContact OH-CD2 3.37Å; M120-L146 HydrophobicContact CE-CD1 3.97Å; M120-L146 HydrophobicContact SD-CD1 4.21Å; V123-L146 HydrophobicContact CB-CD1 4.49Å; V123-L146 HydrophobicContact CG1-CD1 3.87Å; V123-L146 HydrophobicContact CG2-CD1 3.84Å; Y130-L146 HydrophobicContact CD1-CB 3.96Å; Y130-L146 HydrophobicContact CE1-CB 4.32Å; F132-L146 HydrophobicContact CD1-CD2 3.32Å; F132-L146 HydrophobicContact CE1-CD2 3.27Å; F132-L146 HydrophobicContact CG-CD2 4.45Å; F132-L146 HydrophobicContact CZ-CD2 4.36Å; I144-L146 HydrophobicContact CG2-CD2 4.45Å; L146-F158 CarbonylContact O-C 3.57Å; L146-F158 WeakPolarHBondContact O-CA 3.14Å; L146-V159 HydrophobicContact CB-CB 4.02Å; L146-V159 HydrophobicContact CB-CG2 4.23Å; L146-V159 HydrophobicContact CD1-CB 4.45Å; L146-V159 PolarHBondContact N-O 3.41Å; L146-V159 PolarHBondContact O-N 3.29Å
147M98.4Very high96.2Very high1 Ų150.3 Ų50.31%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-125.8136.4173.3-179.9-83.3177.400109.4I68 Y130 E131 Y133 F149 P156 Y157 F158I68-M147 HydrophobicContact CD1-CE 3.57Å; Y130-M147 CarbonylContact C-O 3.59Å; Y130-M147 VanDerWaalsContact CA-O 3.27Å; Y130-M147 WeakPolarHBondContact CA-O 3.11Å; E131-M147 HydrophobicContact CB-CB 4.28Å; E131-M147 HydrophobicContact CB-SD 4.18Å; E131-M147 HydrophobicContact CG-SD 4.43Å; E131-M147 PolarHBondContact N-O 3Å; E131-M147 PolarHBondContact O-N 3.31Å; Y133-M147 HydrophobicContact CD2-CB 3.92Å; Y133-M147 HydrophobicContact CE2-CB 3.76Å; Y133-M147 HydrophobicContact CE2-CG 4.23Å; M147-F149 HydrophobicContact CE-CD1 4.32Å; M147-F149 HydrophobicContact CE-CD2 4.11Å; M147-F149 HydrophobicContact CE-CE1 3.81Å; M147-F149 HydrophobicContact CE-CE2 3.57Å; M147-F149 HydrophobicContact CE-CG 4.47Å; M147-F149 HydrophobicContact CE-CZ 3.41Å; M147-F149 VanDerWaalsContact CE-CZ 3.41Å; M147-F149 HydrophobicContact SD-CE2 4.39Å; M147-P156 HydrophobicContact CE-CB 3.35Å; M147-Y157 WeakPolarHBondContact CA-O 3.02Å; M147-F158 HydrophobicContact CB-CD1 3.8Å; M147-F158 HydrophobicContact CB-CE1 3.53Å; M147-F158 HydrophobicContact CB-CG 4.47Å; M147-F158 HydrophobicContact CB-CZ 3.96Å; M147-F158 HydrophobicContact CG-CD1 4.13Å; M147-F158 HydrophobicContact CG-CD2 4.47Å; M147-F158 HydrophobicContact CG-CE1 3.6Å; M147-F158 HydrophobicContact CG-CE2 3.94Å; M147-F158 HydrophobicContact CG-CZ 3.44Å; M147-F158 VanDerWaalsContact CG-CZ 3.44Å
148N98.2Very high96.5Very high15 Ų1546.6 Ų46.68%0.0826%0.256CS..EExtended strand (participates in β ladder)trans-148177.5169-167.7-5.4000108.3Q129 Y130 Y157Q129-N148 VanDerWaalsContact O-CG 3.25Å; Q129-N148 PolarHBondContact O-OD1 3.09Å; Y130-N148 HydrophobicContact CD1-CB 3.71Å; Y130-N148 HydrophobicContact CE1-CB 3.61Å; Y130-N148 WeakPolarHBondContact CE2-ND2 3.23Å; Y130-N148 HydrophobicContact CG-CB 4.24Å; N148-Y157 HydrophobicContact CB-CD1 4.43Å; N148-Y157 HydrophobicContact CB-CE1 3.66Å; N148-Y157 PolarHBondContact N-O 3.28Å; N148-Y157 WeakPolarHBondContact O-CD1 3.31Å; N148-Y157 PolarHBondContact O-N 2.94Å
149F97.8Very high96.8Very high66 Ų6644.2 Ų44.229%0.28924%0.239SC..EExtended strand (participates in β ladder)trans-98.2145.4173-66.6-84.9000111.1F34 M147 T155 P156 Y157F34-F149 AromaticContact CE2-CE1 3.81Å; F34-F149 HydrophobicContact CE2-CE1 3.81Å; F34-F149 HydrophobicContact CE2-CZ 4.47Å; F34-F149 AromaticContact CZ-CE1 3.77Å; F34-F149 HydrophobicContact CZ-CE1 3.77Å; F34-F149 AromaticContact CZ-CZ 3.97Å; F34-F149 HydrophobicContact CZ-CZ 3.97Å; M147-F149 HydrophobicContact CE-CD1 4.32Å; M147-F149 HydrophobicContact CE-CD2 4.11Å; M147-F149 HydrophobicContact CE-CE1 3.81Å; M147-F149 HydrophobicContact CE-CE2 3.57Å; M147-F149 HydrophobicContact CE-CG 4.47Å; M147-F149 HydrophobicContact CE-CZ 3.41Å; M147-F149 VanDerWaalsContact CE-CZ 3.41Å; M147-F149 HydrophobicContact SD-CE2 4.39Å; F149-T155 CarbonylContact C-O 3.5Å; F149-T155 WeakPolarHBondContact CA-O 3.5Å; F149-P156 HydrophobicContact CD1-CB 4.3Å; F149-P156 HydrophobicContact CE1-CB 4.03Å; F149-Y157 WeakPolarHBondContact O-CE1 3.43Å
150R96.8Very high97Very high40 Ų4042 Ų4215%0.15123%0.227CC..  trans-62.2170.9170-62.3-59.4-174.9-166.9-4.4110.5E29 D31 D152 G153 T155 Y157E29-R150 IonicContact OE2-CZ 2.7Å; E29-R150 IonicContact OE2-NH1 2.73Å; E29-R150 PolarHBondContact OE2-NH1 2.99Å; E29-R150 IonicContact OE2-NH2 3.37Å; E29-R150 PolarHBondContact OE2-NH2 3.12Å; D31-R150 IonicContact OD1-CZ 3.37Å; D31-R150 IonicContact OD1-NE 3.14Å; D31-R150 PolarHBondContact OD1-NE 3.34Å; D31-R150 IonicContact OD1-NH2 3.88Å; D31-R150 PolarHBondContact OD1-NH2 2.95Å; R150-D152 PolarHBondContact O-N 3.27Å; R150-G153 PolarHBondContact O-N 3.38Å; R150-T155 HydrophobicContact CG-CG2 3.97Å; R150-T155 WeakPolarHBondContact CG-O 3.1Å; R150-T155 PolarHBondContact N-O 2.88Å; R150-Y157 HydrophobicContact CG-CD1 4.06Å; R150-Y157 VanDerWaalsContact CZ-CD2 3.42Å; R150-Y157 VanDerWaalsContact NE-CB 3.32Å; R150-Y157 VanDerWaalsContact NH1-CD2 3.31Å; R150-Y157 VanDerWaalsContact NH2-CB 3.34Å
151E95Very high97.3Very high211 Ų21137.9 Ų37.999%0.98620%0.199SC*.THydrogen-bonded Turntrans-57.7-21.3179.9-63.4-179.6178.500113.6G153E151-G153 PolarHBondContact O-N 3.45Å
152D95.5Very high97.4Very high94 Ų9435.1 Ų35.150%0.50318%0.183SC..THydrogen-bonded Turntrans-70.2-11.9172.966.212000113.7R150 M154 T155R150-D152 PolarHBondContact O-N 3.27Å; D152-M154 WeakPolarHBondContact O-CG 3.37Å; D152-M154 PolarHBondContact O-N 3.25Å; D152-M154 PolarHBondContact OD1-N 3.49Å; D152-T155 PolarHBondContact OD1-N 3.03Å; D152-T155 WeakPolarHBondContact OD2-CB 3.37Å; D152-T155 PolarHBondContact OD2-OG1 2.76Å
153G94.3Very high97.3Very high48 Ų4836.1 Ų36.150%0.49519%0.187SC..SBendtrans69.56.5-177.500000114.7R150 E151R150-G153 PolarHBondContact O-N 3.38Å; E151-G153 PolarHBondContact O-N 3.45Å
154M94.4Very high97.3Very high122 Ų12236 Ų3660%0.60119%0.187SC*.SBendtrans-124.9-32.3-168.9-64.1-62.2-70.300112.8D152 P156D152-M154 WeakPolarHBondContact O-CG 3.37Å; D152-M154 PolarHBondContact O-N 3.25Å; D152-M154 PolarHBondContact OD1-N 3.49Å; M154-P156 VanDerWaalsContact O-CD 3.29Å; M154-P156 WeakPolarHBondContact O-CD 3.15Å
155T97Very high97.2Very high43 Ų4335.9 Ų35.926%0.26419%0.186SC..  trans-91.2109.8-176.3-58.70000109.7D31 F149 R150 D152D31-T155 HydrophobicContact CB-CG2 4.36Å; F149-T155 CarbonylContact C-O 3.5Å; F149-T155 WeakPolarHBondContact CA-O 3.5Å; R150-T155 HydrophobicContact CG-CG2 3.97Å; R150-T155 WeakPolarHBondContact CG-O 3.1Å; R150-T155 PolarHBondContact N-O 2.88Å; D152-T155 PolarHBondContact OD1-N 3.03Å; D152-T155 WeakPolarHBondContact OD2-CB 3.37Å; D152-T155 PolarHBondContact OD2-OG1 2.76Å
156P98.1Very high97Very high2 Ų240.2 Ų40.21%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-70.1141.9174.130.6-34.3000109.9S32 F34 I68 M147 F149 M154S32-P156 PolarHBondContact N-O 3.2Å; S32-P156 WeakPolarHBondContact O-CD 3.36Å; S32-P156 WeakPolarHBondContact O-CG 3.42Å; F34-P156 HydrophobicContact CE2-CG 4.35Å; I68-P156 HydrophobicContact CD1-CB 4.23Å; I68-P156 HydrophobicContact CG2-CG 4.26Å; M147-P156 HydrophobicContact CE-CB 3.35Å; F149-P156 HydrophobicContact CD1-CB 4.3Å; F149-P156 HydrophobicContact CE1-CB 4.03Å; M154-P156 VanDerWaalsContact O-CD 3.29Å; M154-P156 WeakPolarHBondContact O-CD 3.15Å
157Y98.2Very high97Very high19 Ų1942.1 Ų42.18%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-136.2150.3172.278.9-83.2000111.5E29 V30 Y130 M147 N148 F149 R150 V159E29-Y157 HydrophobicContact CB-CD2 4.49Å; E29-Y157 HydrophobicContact CG-CD2 4.35Å; E29-Y157 HydrophobicContact CG-CE2 4.43Å; V30-Y157 CarbonylContact O-C 3.55Å; V30-Y157 WeakPolarHBondContact O-CA 3.37Å; V30-Y157 WeakPolarHBondContact O-CB 3.44Å; Y130-Y157 PolarHBondContact OH-OH 2.91Å; M147-Y157 WeakPolarHBondContact CA-O 3.02Å; N148-Y157 HydrophobicContact CB-CD1 4.43Å; N148-Y157 HydrophobicContact CB-CE1 3.66Å; N148-Y157 PolarHBondContact N-O 3.28Å; N148-Y157 WeakPolarHBondContact O-CD1 3.31Å; N148-Y157 PolarHBondContact O-N 2.94Å; F149-Y157 WeakPolarHBondContact O-CE1 3.43Å; R150-Y157 HydrophobicContact CG-CD1 4.06Å; R150-Y157 VanDerWaalsContact CZ-CD2 3.42Å; R150-Y157 VanDerWaalsContact NE-CB 3.32Å; R150-Y157 VanDerWaalsContact NH1-CD2 3.31Å; R150-Y157 VanDerWaalsContact NH2-CB 3.34Å; Y157-V159 HydrophobicContact CD2-CG2 4.05Å; Y157-V159 HydrophobicContact CE2-CG2 3.61Å
158F98.6Very high96.9Very high0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-116.1142.6-177.1-68-100.1000110.5E29 V30 I68 L70 V71 Y133 V145 L146 M147 F160E29-F158 CarbonylContact C-O 3.52Å; E29-F158 VanDerWaalsContact CA-O 3.25Å; E29-F158 WeakPolarHBondContact CA-O 3.4Å; V30-F158 PolarHBondContact N-O 3.31Å; V30-F158 PolarHBondContact O-N 3.4Å; I68-F158 HydrophobicContact CD1-CZ 4.32Å; I68-F158 HydrophobicContact CG2-CE2 3.67Å; I68-F158 HydrophobicContact CG2-CZ 3.77Å; L70-F158 HydrophobicContact CB-CE2 4.35Å; L70-F158 HydrophobicContact CD2-CB 4.04Å; L70-F158 HydrophobicContact CD2-CD1 4.27Å; L70-F158 HydrophobicContact CD2-CD2 3.6Å; L70-F158 HydrophobicContact CD2-CE2 4.16Å; L70-F158 HydrophobicContact CD2-CG 3.69Å; V71-F158 HydrophobicContact CG2-CE1 3.69Å; V71-F158 HydrophobicContact CG2-CZ 3.42Å; V71-F158 VanDerWaalsContact CG2-CZ 3.42Å; Y133-F158 HydrophobicContact CD2-CE1 4.08Å; Y133-F158 HydrophobicContact CE2-CE1 4.3Å; V145-F158 HydrophobicContact CG1-CB 3.99Å; V145-F158 HydrophobicContact CG1-CD1 3.69Å; V145-F158 HydrophobicContact CG1-CG 4.32Å; L146-F158 CarbonylContact O-C 3.57Å; L146-F158 WeakPolarHBondContact O-CA 3.14Å; M147-F158 HydrophobicContact CB-CD1 3.8Å; M147-F158 HydrophobicContact CB-CE1 3.53Å; M147-F158 HydrophobicContact CB-CG 4.47Å; M147-F158 HydrophobicContact CB-CZ 3.96Å; M147-F158 HydrophobicContact CG-CD1 4.13Å; M147-F158 HydrophobicContact CG-CD2 4.47Å; M147-F158 HydrophobicContact CG-CE1 3.6Å; M147-F158 HydrophobicContact CG-CE2 3.94Å; M147-F158 HydrophobicContact CG-CZ 3.44Å; M147-F158 VanDerWaalsContact CG-CZ 3.44Å; F158-F160 HydrophobicContact CB-CD2 4.33Å; F158-F160 HydrophobicContact CB-CE2 3.45Å; F158-F160 VanDerWaalsContact CB-CE2 3.45Å; F158-F160 HydrophobicContact CB-CZ 3.8Å
159V98.6Very high96.8Very high3 Ų345.9 Ų45.92%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-114.8126.5177.8-166.30000109.1F27 Y28 E29 Y119 L146 Y157F27-V159 HydrophobicContact CB-CG1 4.09Å; F27-V159 HydrophobicContact CD1-CG1 3.94Å; F27-V159 HydrophobicContact CG-CG1 4.24Å; Y28-V159 WeakPolarHBondContact O-CA 3.5Å; E29-V159 HydrophobicContact CG-CG2 4.34Å; Y119-V159 HydrophobicContact CE1-CG1 3.86Å; Y119-V159 HydrophobicContact CE1-CG2 4.39Å; Y119-V159 VanDerWaalsContact OH-CG2 3.28Å; Y119-V159 WeakPolarHBondContact OH-CG2 3.42Å; L146-V159 HydrophobicContact CB-CB 4.02Å; L146-V159 HydrophobicContact CB-CG2 4.23Å; L146-V159 HydrophobicContact CD1-CB 4.45Å; L146-V159 PolarHBondContact N-O 3.41Å; L146-V159 PolarHBondContact O-N 3.29Å; Y157-V159 HydrophobicContact CD2-CG2 4.05Å; Y157-V159 HydrophobicContact CE2-CG2 3.61Å
160F98.6Very high96.7Very high1 Ų144.7 Ų44.70%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-122.2146.9177.6-55.3-95.6000109.8M13 F14 F27 Y28 V30 L70 F76 M143 V145 F158 K162 L165M13-F160 HydrophobicContact CB-CD1 4.23Å; M13-F160 HydrophobicContact CB-CE1 3.91Å; M13-F160 HydrophobicContact CE-CD1 4.27Å; M13-F160 HydrophobicContact CE-CE1 4.01Å; F14-F160 HydrophobicContact CD1-CD1 4.14Å; F14-F160 AromaticContact CD1-CD2 3.86Å; F14-F160 HydrophobicContact CD1-CD2 3.86Å; F14-F160 AromaticContact CD1-CE1 3.94Å; F14-F160 HydrophobicContact CD1-CE1 3.94Å; F14-F160 AromaticContact CD1-CE2 3.65Å; F14-F160 HydrophobicContact CD1-CE2 3.65Å; F14-F160 HydrophobicContact CD1-CG 4.11Å; F14-F160 AromaticContact CD1-CZ 3.7Å; F14-F160 HydrophobicContact CD1-CZ 3.7Å; F14-F160 HydrophobicContact CE1-CB 4.19Å; F14-F160 HydrophobicContact CE1-CD1 4.05Å; F14-F160 AromaticContact CE1-CD2 3.59Å; F14-F160 HydrophobicContact CE1-CD2 3.59Å; F14-F160 HydrophobicContact CE1-CE1 4.32Å; F14-F160 AromaticContact CE1-CE2 3.89Å; F14-F160 HydrophobicContact CE1-CE2 3.89Å; F14-F160 AromaticContact CE1-CG 3.68Å; F14-F160 HydrophobicContact CE1-CG 3.68Å; F14-F160 HydrophobicContact CE1-CZ 4.26Å; F14-F160 HydrophobicContact CZ-CD2 4.49Å; F27-F160 CarbonylContact C-O 3.55Å; F27-F160 VanDerWaalsContact CA-O 3.23Å; F27-F160 WeakPolarHBondContact CA-O 3.47Å; Y28-F160 PolarHBondContact N-O 3.38Å; Y28-F160 PolarHBondContact O-N 2.85Å; V30-F160 HydrophobicContact CB-CE2 4.1Å; V30-F160 HydrophobicContact CG2-CD2 4.39Å; V30-F160 HydrophobicContact CG2-CE2 4.12Å; L70-F160 HydrophobicContact CD2-CE2 4.39Å; L70-F160 HydrophobicContact CD2-CZ 4.01Å; F76-F160 HydrophobicContact CE2-CE1 4.31Å; F76-F160 HydrophobicContact CE2-CZ 4.26Å; F76-F160 HydrophobicContact CZ-CE1 4.1Å; F76-F160 HydrophobicContact CZ-CZ 4.4Å; M143-F160 HydrophobicContact SD-CB 3.84Å; M143-F160 HydrophobicContact SD-CD1 3.95Å; M143-F160 HydrophobicContact SD-CG 4.39Å; V145-F160 HydrophobicContact CB-CD1 4.41Å; V145-F160 HydrophobicContact CB-CE1 4.06Å; V145-F160 HydrophobicContact CG1-CD1 3.77Å; V145-F160 HydrophobicContact CG1-CD2 4.5Å; V145-F160 HydrophobicContact CG1-CE1 3.31Å; V145-F160 HydrophobicContact CG1-CE2 4.11Å; V145-F160 HydrophobicContact CG1-CG 4.34Å; V145-F160 HydrophobicContact CG1-CZ 3.5Å; V145-F160 VanDerWaalsContact CG1-CZ 3.5Å; V145-F160 HydrophobicContact CG2-CD1 3.85Å; V145-F160 HydrophobicContact CG2-CE1 3.51Å; V145-F160 HydrophobicContact CG2-CZ 4.44Å; F158-F160 HydrophobicContact CB-CD2 4.33Å; F158-F160 HydrophobicContact CB-CE2 3.45Å; F158-F160 VanDerWaalsContact CB-CE2 3.45Å; F158-F160 HydrophobicContact CB-CZ 3.8Å; F160-K162 PolarHBondContact O-N 3.21Å; F160-L165 HydrophobicContact CB-CD1 4.03Å
161F98.3Very high96.7Very high10 Ų1045 Ų454%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-73.1119.4166.9-78.3-88.2000109.5F27 L90 Y93 L94 I97 V116 M120 M143 D163 G164F27-F161 HydrophobicContact CD1-CD1 4.23Å; F27-F161 HydrophobicContact CD1-CE1 4.35Å; F27-F161 AromaticContact CE1-CD1 3.7Å; F27-F161 HydrophobicContact CE1-CD1 3.7Å; F27-F161 AromaticContact CE1-CE1 3.4Å; F27-F161 HydrophobicContact CE1-CE1 3.4Å; F27-F161 VanDerWaalsContact CE1-CE1 3.4Å; F27-F161 HydrophobicContact CE1-CE2 4.34Å; F27-F161 HydrophobicContact CE1-CG 4.29Å; F27-F161 AromaticContact CE1-CZ 3.75Å; F27-F161 HydrophobicContact CE1-CZ 3.75Å; F27-F161 HydrophobicContact CZ-CD1 4.49Å; F27-F161 AromaticContact CZ-CE1 3.96Å; F27-F161 HydrophobicContact CZ-CE1 3.96Å; F27-F161 HydrophobicContact CZ-CZ 4.43Å; L90-F161 HydrophobicContact CD1-CE2 3.99Å; L90-F161 HydrophobicContact CD1-CZ 3.54Å; Y93-F161 HydrophobicContact CD1-CD2 4Å; Y93-F161 HydrophobicContact CD1-CE2 4.25Å; Y93-F161 HydrophobicContact CD1-CG 4.44Å; Y93-F161 HydrophobicContact CE1-CB 4.05Å; Y93-F161 AromaticContact CE1-CD2 3.74Å; Y93-F161 HydrophobicContact CE1-CD2 3.74Å; Y93-F161 HydrophobicContact CE1-CE2 4.44Å; Y93-F161 AromaticContact CE1-CG 3.98Å; Y93-F161 HydrophobicContact CE1-CG 3.98Å; L94-F161 HydrophobicContact CD2-CE1 3.81Å; L94-F161 HydrophobicContact CD2-CZ 4.2Å; I97-F161 HydrophobicContact CD1-CB 4.19Å; V116-F161 HydrophobicContact CG1-CE1 4.21Å; V116-F161 HydrophobicContact CG1-CZ 4.44Å; V116-F161 HydrophobicContact CG2-CE1 3.93Å; M120-F161 HydrophobicContact CE-CE2 4.29Å; M120-F161 HydrophobicContact CE-CZ 3.88Å; M143-F161 HydrophobicContact CE-CB 3.95Å; M143-F161 WeakPolarHBondContact CE-O 3.47Å; M143-F161 HydrophobicContact CG-CD2 4.47Å; M143-F161 HydrophobicContact SD-CB 4.37Å; M143-F161 PolarHBondContact SD-N 3.07Å; M143-F161 VanDerWaalsContact SD-N 3.4Å; F161-D163 PolarHBondContact O-N 2.94Å; F161-G164 WeakPolarHBondContact O-CA 3.46Å; F161-G164 PolarHBondContact O-N 3.29Å
162K96.8Very high96.9Very high41 Ų4133.9 Ų33.918%0.17820%0.196CC..G310 helixtrans-60.4-46.1-178.1166.9162159.7-80.90112.4V22 D25 F26 Y28 F160 G164 L165V22-K162 HydrophobicContact CG1-CD 4.34Å; V22-K162 HydrophobicContact CG2-CD 4.5Å; D25-K162 WeakPolarHBondContact O-CD 3.34Å; D25-K162 PolarHBondContact O-NZ 3.03Å; D25-K162 IonicContact OD1-NZ 3.59Å; D25-K162 PolarHBondContact OD1-NZ 3.27Å; F26-K162 WeakPolarHBondContact O-CB 3.28Å; F26-K162 PolarHBondContact O-N 3.06Å; Y28-K162 HydrophobicContact CD2-CB 3.76Å; Y28-K162 HydrophobicContact CD2-CD 4.5Å; Y28-K162 HydrophobicContact CD2-CG 4.1Å; Y28-K162 HydrophobicContact CE1-CD 4.05Å; Y28-K162 HydrophobicContact CE2-CB 3.67Å; Y28-K162 HydrophobicContact CE2-CD 3.85Å; Y28-K162 HydrophobicContact CE2-CG 3.46Å; Y28-K162 VanDerWaalsContact CE2-CG 3.46Å; Y28-K162 HydrophobicContact CG-CB 4.46Å; F160-K162 PolarHBondContact O-N 3.21Å; K162-G164 PolarHBondContact O-N 2.85Å; K162-L165 PolarHBondContact O-N 3.22Å
163D95.7Very high97Very high26 Ų2629.6 Ų29.614%0.13917%0.174CC..G310 helixtrans-76.4-2.9177.2-59.5-75000113.1F26 I97 R100 L101 F161 L165F26-D163 WeakPolarHBondContact CD1-OD2 3.47Å; I97-D163 HydrophobicContact CD1-CB 4.43Å; I97-D163 HydrophobicContact CG2-CB 4.09Å; R100-D163 WeakPolarHBondContact CD-O 3.27Å; L101-D163 HydrophobicContact CD2-CB 4.32Å; L101-D163 WeakPolarHBondContact CD2-OD1 3.42Å; L101-D163 HydrophobicContact CG-CB 4.41Å; F161-D163 PolarHBondContact O-N 2.94Å; D163-L165 VanDerWaalsContact C-N 3.32Å
164G97.1Very high97.2Very high0 Ų028.2 Ų28.20%015%0.149CC..G310 helixtrans-88.3-2170.700000113.9M7 Y93 I97 F161 K162M7-G164 WeakPolarHBondContact CB-O 3.49Å; M7-G164 WeakPolarHBondContact CG-O 3.48Å; M7-G164 PolarHBondContact N-O 3.3Å; Y93-G164 WeakPolarHBondContact OH-CA 3.32Å; I97-G164 VanDerWaalsContact CD1-N 3.29Å; F161-G164 WeakPolarHBondContact O-CA 3.46Å; F161-G164 PolarHBondContact O-N 3.29Å; K162-G164 PolarHBondContact O-N 2.85Å
165L97.5Very high97.4Very high8 Ų820.4 Ų20.44%0.04211%0.112CC..BIsolated β-bridgetrans-110.3154.9-179.6-57.3167.4000111.8Y4 K5 M13 F14 Y28 R100 M143 F160 K162 D163Y4-L165 HydrophobicContact CD1-CB 4.49Å; Y4-L165 HydrophobicContact CD1-CD1 4.2Å; K5-L165 CarbonylContact O-C 3.48Å; K5-L165 WeakPolarHBondContact O-CA 3.48Å; K5-L165 WeakPolarHBondContact O-CD2 3.43Å; M13-L165 HydrophobicContact CB-CD2 4.07Å; M13-L165 HydrophobicContact CG-CD2 3.74Å; F14-L165 HydrophobicContact CE1-CD1 3.5Å; F14-L165 HydrophobicContact CZ-CD1 3.74Å; Y28-L165 HydrophobicContact CD2-CD1 3.7Å; Y28-L165 HydrophobicContact CE2-CD1 4.13Å; R100-L165 PolarHBondContact NH1-O 3.14Å; R100-L165 PolarHBondContact NH2-O 3.2Å; M143-L165 HydrophobicContact CE-CD2 3.81Å; M143-L165 HydrophobicContact CE-CG 4.02Å; F160-L165 HydrophobicContact CB-CD1 4.03Å; K162-L165 PolarHBondContact O-N 3.22Å; D163-L165 VanDerWaalsContact C-N 3.32Å
166T94.3Very high97.4Very high92 Ų9218.4 Ų18.456%0.56410%0.098SC*.  trans-110.90167.7530000111.4K5 M7K5-T166 PolarHBondContact N-O 3.2Å; K5-T166 PolarHBondContact O-N 2.78Å; M7-T166 HydrophobicContact CB-CG2 4.08Å

Retrieved 166 of 166 residues in 71.6 ms (Link to these results)

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