A0A674DRP3_SALTR Loading...

WD repeat domain 54

AlphaFold DB , UniProt , Accession A0A674DRP3, Species SALTR (Salmo trutta, Brown trout), Gene wdr54, Length 336 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
1M86.8Confident94.2Very high155 Ų15574.3 Ų74.376%0.76434%0.341SS*.  0141.20-178.7-176.1-77.300106.9Y298 V336M1-Y298 HydrophobicContact CG-CD2 4.28Å; M1-Y298 HydrophobicContact CG-CE2 4.01Å; M1-V336 PolarHBondContact O-N 2.62Å; M1-V336 VanDerWaalsContact O-N 3.17Å
2Y96.3Very high94.4Very high10 Ų1069.9 Ų69.94%0.03933%0.325CS..EExtended strand (participates in β ladder)trans-92150-179.9-68-96.5000111.7V280 Y298 G317 F320 T334 Q335Y2-V280 HydrophobicContact CD2-CG2 4.34Å; Y2-V280 HydrophobicContact CE2-CB 4.4Å; Y2-V280 HydrophobicContact CE2-CG1 4.24Å; Y2-V280 HydrophobicContact CE2-CG2 3.85Å; Y2-Y298 AromaticContact CD2-CD1 3.67Å; Y2-Y298 HydrophobicContact CD2-CD1 3.67Å; Y2-Y298 AromaticContact CD2-CE1 3.95Å; Y2-Y298 HydrophobicContact CD2-CE1 3.95Å; Y2-Y298 HydrophobicContact CD2-CG 4.11Å; Y2-Y298 HydrophobicContact CE2-CD1 4.47Å; Y2-Y298 HydrophobicContact CG-CD1 4.41Å; Y2-Y298 HydrophobicContact CG-CE1 4.24Å; Y2-Y298 PolarHBondContact O-OH 3.15Å; Y2-G317 WeakPolarHBondContact CE1-O 3.37Å; Y2-G317 PolarHBondContact OH-O 3.07Å; Y2-F320 AromaticContact CD1-CD1 3.57Å; Y2-F320 HydrophobicContact CD1-CD1 3.57Å; Y2-F320 AromaticContact CD1-CE1 3.39Å; Y2-F320 HydrophobicContact CD1-CE1 3.39Å; Y2-F320 AromaticContact CD2-CE1 3.87Å; Y2-F320 HydrophobicContact CD2-CE1 3.87Å; Y2-F320 AromaticContact CE1-CD1 3.46Å; Y2-F320 HydrophobicContact CE1-CD1 3.46Å; Y2-F320 VanDerWaalsContact CE1-CD1 3.46Å; Y2-F320 AromaticContact CE1-CE1 3.7Å; Y2-F320 HydrophobicContact CE1-CE1 3.7Å; Y2-F320 HydrophobicContact CE2-CD1 4.47Å; Y2-F320 HydrophobicContact CE2-CE1 4.15Å; Y2-F320 HydrophobicContact CG-CD1 4.13Å; Y2-F320 AromaticContact CG-CE1 3.48Å; Y2-F320 HydrophobicContact CG-CE1 3.48Å; Y2-F320 VanDerWaalsContact CG-CE1 3.48Å; Y2-F320 HydrophobicContact CG-CZ 4.43Å; Y2-F320 AromaticContact CZ-CD1 3.94Å; Y2-T334 CarbonylContact C-O 3.51Å; Y2-T334 VanDerWaalsContact CA-O 3.28Å; Y2-T334 WeakPolarHBondContact CA-O 3.07Å; Y2-Q335 HydrophobicContact CD1-CG 3.71Å; Y2-Q335 HydrophobicContact CD2-CG 4.32Å; Y2-Q335 HydrophobicContact CE1-CB 4.46Å; Y2-Q335 HydrophobicContact CE1-CG 3.3Å; Y2-Q335 HydrophobicContact CE2-CG 3.96Å; Y2-Q335 HydrophobicContact CG-CG 4.2Å; Y2-Q335 VanDerWaalsContact CZ-CG 3.45Å; Y2-Q335 VanDerWaalsContact CZ-NE2 3.31Å; Y2-Q335 PolarHBondContact OH-NE2 2.97Å
3H94.9Very high94.6Very high89 Ų8965.5 Ų65.541%0.41231%0.307SS..EExtended strand (participates in β ladder)trans-129.4139.9176.7-62.779.1000109.9E5 Y333 T334 V336H3-E5 PolarHBondContact O-N 3.37Å; H3-Y333 CarbonylContact O-C 3.6Å; H3-Y333 VanDerWaalsContact O-CA 3.24Å; H3-Y333 WeakPolarHBondContact O-CA 3.5Å; H3-T334 PolarHBondContact N-O 3.45Å; H3-T334 PolarHBondContact O-N 3.4Å; H3-V336 HydrophobicContact CB-CG2 4.43Å; H3-V336 VanDerWaalsContact CE1-CG2 3.5Å; H3-V336 WeakPolarHBondContact CE1-CG2 3.48Å; H3-V336 WeakPolarHBondContact ND1-CG2 3.31Å
4K95.2Very high94.8Very high115 Ų11560.9 Ų60.950%0.529%0.285SS..EExtended strand (participates in β ladder)trans-67.7124.5177.2-178.7169.2171.2166.70110.5I331 R332 Y333K4-I331 HydrophobicContact CD-CG2 3.99Å; K4-I331 HydrophobicContact CG-CG2 4.11Å; K4-R332 WeakPolarHBondContact CA-O 3.13Å; K4-Y333 HydrophobicContact CB-CD1 3.97Å; K4-Y333 HydrophobicContact CB-CE1 3.62Å; K4-Y333 HydrophobicContact CG-CE1 4.17Å
5E93.9Very high95Very high58 Ų5858.3 Ų58.327%0.27128%0.277SS..  trans-89.5176.6169.4-65.1-169.8149.500111H3 S7 R332 T334H3-E5 PolarHBondContact O-N 3.37Å; E5-S7 PolarHBondContact O-N 3.39Å; E5-R332 HydrophobicContact CB-CB 4.23Å; E5-R332 PolarHBondContact N-O 2.8Å; E5-R332 IonicContact OE2-CZ 3.68Å; E5-R332 IonicContact OE2-NE 2.66Å; E5-R332 IonicContact OE2-NH2 3.19Å; E5-R332 PolarHBondContact OE2-NH2 2.75Å; E5-T334 VanDerWaalsContact CD-OG1 3.24Å; E5-T334 HydrophobicContact CG-CG2 4.1Å; E5-T334 WeakPolarHBondContact CG-OG1 3.25Å; E5-T334 WeakPolarHBondContact OE1-CB 3.49Å; E5-T334 WeakPolarHBondContact OE1-CG2 3.34Å; E5-T334 PolarHBondContact OE1-OG1 2.82Å; E5-T334 WeakPolarHBondContact OE2-CG2 3.12Å
6K92.8Very high95.1Very high151 Ų15157.2 Ų57.266%0.65728%0.281SS*.PPolyproline II helixtrans-60.6123.5171.3-173.2179179-175.90109.7
7S94.6Very high95.2Very high13 Ų1355.4 Ų55.49%0.09127%0.272CS..PPolyproline II helixtrans-61.1145.8175.8-550000111.6E5 E329 I330E5-S7 PolarHBondContact O-N 3.39Å; S7-E329 WeakPolarHBondContact CB-OE2 3Å; S7-E329 VanDerWaalsContact OG-CD 3.32Å; S7-E329 PolarHBondContact OG-OE1 3.2Å; S7-E329 VanDerWaalsContact OG-OE1 3.14Å; S7-E329 PolarHBondContact OG-OE2 3.01Å; S7-I330 CarbonylContact C-O 3.6Å; S7-I330 WeakPolarHBondContact CA-O 3.24Å
8I95.8Very high95.1Very high0 Ų054.3 Ų54.30%027%0.265CS..EExtended strand (participates in β ladder)trans-92.3119175.1-60.5168.1000108.2F34 V45 A47 Y54 E329 I330 R332I8-F34 HydrophobicContact CD1-CD2 4.33Å; I8-F34 HydrophobicContact CD1-CE2 3.8Å; I8-F34 HydrophobicContact CD1-CZ 4.34Å; I8-V45 HydrophobicContact CG2-CG1 3.55Å; I8-A47 HydrophobicContact CD1-CB 3.65Å; I8-Y54 HydrophobicContact CG1-CD1 4.41Å; I8-Y54 HydrophobicContact CG2-CD1 3.9Å; I8-Y54 HydrophobicContact CG2-CD2 4.11Å; I8-Y54 HydrophobicContact CG2-CE1 4.23Å; I8-Y54 HydrophobicContact CG2-CE2 4.44Å; I8-Y54 HydrophobicContact CG2-CG 3.82Å; I8-E329 CarbonylContact O-C 3.59Å; I8-E329 VanDerWaalsContact O-CA 3.24Å; I8-E329 WeakPolarHBondContact O-CA 3.39Å; I8-I330 HydrophobicContact CB-CB 4.3Å; I8-I330 PolarHBondContact N-O 3.26Å; I8-I330 PolarHBondContact O-N 3.2Å; I8-R332 HydrophobicContact CD1-CG 4.21Å
9Q95.8Very high95.2Very high84 Ų8451.8 Ų51.839%0.39325%0.253SS..EExtended strand (participates in β ladder)trans-69.7153.8-179.6-61-58.3-59.200111.6H56 E329Q9-H56 PolarHBondContact O-CE1 2.84Å; Q9-H56 PolarHBondContact O-ND1 2.85Å; Q9-E329 PolarHBondContact NE2-OE2 2.61Å
10M95.6Very high95.4Very high15 Ų1549.5 Ų49.57%0.07424%0.242CC..  trans-123.1160.5173.6-60.3-170.8-67.800109.8S12 V36 N43 V45 L327 S328 I330M10-S12 VanDerWaalsContact C-N 3.34Å; M10-S12 WeakPolarHBondContact CB-O 3.48Å; M10-V36 HydrophobicContact CE-CB 4.44Å; M10-V36 HydrophobicContact CE-CG1 4.13Å; M10-V36 HydrophobicContact SD-CB 3.7Å; M10-V36 HydrophobicContact SD-CG1 4.05Å; M10-V36 HydrophobicContact SD-CG2 3.58Å; M10-V36 VanDerWaalsContact SD-CG2 3.58Å; M10-N43 HydrophobicContact SD-CB 4.18Å; M10-V45 HydrophobicContact CG-CG2 4.29Å; M10-L327 WeakPolarHBondContact CE-O 3.22Å; M10-S328 PolarHBondContact N-O 3.49Å; M10-I330 HydrophobicContact CE-CG1 4.41Å; M10-I330 HydrophobicContact CG-CD1 4.23Å; M10-I330 HydrophobicContact CG-CG1 4.02Å; M10-I330 HydrophobicContact SD-CD1 4.01Å; M10-I330 HydrophobicContact SD-CG1 3.66Å
11K94.8Very high95.5Very high127 Ų12747.2 Ų47.255%0.55223%0.231SC*.SBendtrans-76.6-22177.3-76.4-176.9171.8177.30113.3H56 Q58K11-H56 HydrophobicContact CD-CB 4.17Å; K11-H56 HydrophobicContact CG-CB 4.26Å; K11-Q58 HydrophobicContact CB-CG 4.36Å; K11-Q58 HydrophobicContact CD-CG 4.27Å
12S96.3Very high96.1Very high22 Ų2240.5 Ų40.515%0.15420%0.199CC..SBendtrans-146.5160.6178.5-53.20000109.6M10 N43 Q58M10-S12 VanDerWaalsContact C-N 3.34Å; M10-S12 WeakPolarHBondContact CB-O 3.48Å; S12-N43 PolarHBondContact N-OD1 2.83Å; S12-N43 PolarHBondContact O-ND2 2.78Å; S12-N43 VanDerWaalsContact O-ND2 3.13Å; S12-Q58 PolarHBondContact OG-NE2 2.96Å
13S97.1Very high96.2Very high13 Ų1341.4 Ų41.49%0.09121%0.206CC..PPolyproline II helixtrans-71.8172.3-17762.60000113.7H38 D326 L327 S328S13-H38 WeakPolarHBondContact O-CB 3.47Å; S13-H38 VanDerWaalsContact O-CG 3.24Å; S13-H38 PolarHBondContact O-ND1 2.82Å; S13-H38 PolarHBondContact OG-CE1 2.98Å; S13-H38 PolarHBondContact OG-ND1 3.32Å; S13-H38 VanDerWaalsContact OG-ND1 3.15Å; S13-D326 VanDerWaalsContact CB-CA 3.5Å; S13-D326 WeakPolarHBondContact CB-O 3.18Å; S13-L327 CarbonylContact C-O 3.5Å; S13-L327 VanDerWaalsContact CA-O 3.29Å; S13-L327 WeakPolarHBondContact CA-O 3.06Å; S13-S328 WeakPolarHBondContact CA-OG 3.24Å; S13-S328 PolarHBondContact N-OG 3.37Å
14A97.6Very high96.3Very high0 Ų037.7 Ų37.70%019%0.188CC..BIsolated β-bridgetrans-87.5140.9170.200000112.2V36 G324 Y325 D326 L327A14-V36 HydrophobicContact CB-CG1 3.46Å; A14-V36 VanDerWaalsContact CB-CG1 3.46Å; A14-G324 VanDerWaalsContact CB-O 3.29Å; A14-G324 WeakPolarHBondContact CB-O 3.18Å; A14-Y325 WeakPolarHBondContact O-CD2 3.4Å; A14-D326 PolarHBondContact O-N 2.88Å; A14-D326 VanDerWaalsContact O-N 3.08Å; A14-L327 PolarHBondContact N-O 3.2Å; A14-L327 VanDerWaalsContact N-O 3.12Å
15S97.8Very high96.2Very high22 Ų2237.1 Ų37.115%0.15418%0.183CC..PPolyproline II helixtrans-75.9154.1167.5-67.10000112.4L17 N20 V37 H38 A39 C308S15-L17 PolarHBondContact O-N 3.2Å; S15-N20 PolarHBondContact N-ND2 3.25Å; S15-N20 PolarHBondContact O-ND2 2.72Å; S15-V37 PolarHBondContact N-O 3.08Å; S15-H38 WeakPolarHBondContact OG-CA 3.32Å; S15-A39 PolarHBondContact OG-N 2.84Å; S15-C308 PolarHBondContact O-SG 2.82Å
16A96.3Very high96.1Very high41 Ų4136 Ų3634%0.33918%0.179SC..SBendtrans-75.670.6175.800000111.4Y325A16-Y325 HydrophobicContact CB-CD2 3.55Å; A16-Y325 HydrophobicContact CB-CE2 3.91Å; A16-Y325 HydrophobicContact CB-CG 4Å; A16-Y325 VanDerWaalsContact N-CD2 3.32Å
17L96.4Very high95.9Very high26 Ų2631.5 Ų31.514%0.13617%0.17CC..  trans-118.9149.6178.8-55.3171.6000109.3S15 N20 V37 I73S15-L17 PolarHBondContact O-N 3.2Å; L17-N20 HydrophobicContact CB-CB 4.16Å; L17-N20 WeakPolarHBondContact O-CB 3.2Å; L17-V37 HydrophobicContact CD1-CB 3.93Å; L17-V37 HydrophobicContact CD1-CG1 3.62Å; L17-I73 WeakPolarHBondContact CD1-O 3.4Å
18Y93.8Very high95.6Very high36 Ų3637 Ų3714%0.14121%0.205CC..THydrogen-bonded Turntrans-63.7145.4171.2-49.1-44.6000110.4N20 W256 Y258Y18-N20 PolarHBondContact O-N 2.76Å; Y18-N20 VanDerWaalsContact O-N 3.12Å; Y18-W256 WeakPolarHBondContact OH-CZ2 3.2Å; Y18-Y258 AromaticContact CD1-CD1 3.6Å; Y18-Y258 HydrophobicContact CD1-CD1 3.6Å; Y18-Y258 AromaticContact CD1-CE1 3.67Å; Y18-Y258 HydrophobicContact CD1-CE1 3.67Å; Y18-Y258 HydrophobicContact CD1-CG 4.13Å; Y18-Y258 HydrophobicContact CE1-CD1 4.16Å; Y18-Y258 AromaticContact CE1-CE1 3.82Å; Y18-Y258 HydrophobicContact CE1-CE1 3.82Å; Y18-Y258 HydrophobicContact CE1-CE2 4.44Å; Y18-Y258 AromaticContact CE1-CZ 3.97Å
19N97.9Very high95.1Very high8 Ų845.6 Ų45.64%0.04324%0.238CC..THydrogen-bonded Turntrans50.338.2177.3-59.9-58.7000113.1L21 D171 S218 S219 Y258 S259 C308N19-L21 PolarHBondContact O-N 3.45Å; N19-D171 PolarHBondContact ND2-OD2 2.94Å; N19-D171 VanDerWaalsContact ND2-OD2 3.14Å; N19-S218 PolarHBondContact ND2-O 2.81Å; N19-S219 PolarHBondContact ND2-OG 2.84Å; N19-S219 PolarHBondContact OD1-OG 2.88Å; N19-S219 VanDerWaalsContact OD1-OG 3.05Å; N19-Y258 PolarHBondContact N-O 2.77Å; N19-S259 WeakPolarHBondContact OD1-CA 3.43Å; N19-S259 PolarHBondContact OD1-OG 2.57Å; N19-C308 PolarHBondContact N-O 3.19Å
20N98.3Very high94.9Very high5 Ų544.4 Ų44.43%0.02724%0.239CC..  trans-80.352.8-177.6-16512.6000112.7S15 L17 Y18 V37 C308 T323S15-N20 PolarHBondContact N-ND2 3.25Å; S15-N20 PolarHBondContact O-ND2 2.72Å; L17-N20 HydrophobicContact CB-CB 4.16Å; L17-N20 WeakPolarHBondContact O-CB 3.2Å; Y18-N20 PolarHBondContact O-N 2.76Å; Y18-N20 VanDerWaalsContact O-N 3.12Å; N20-V37 PolarHBondContact ND2-O 3.31Å; N20-V37 WeakPolarHBondContact OD1-CA 3.46Å; N20-V37 VanDerWaalsContact OD1-CB 3.26Å; N20-V37 WeakPolarHBondContact OD1-CB 3.08Å; N20-V37 PolarHBondContact OD1-N 3Å; N20-C308 HydrophobicContact CB-CB 3.85Å; N20-C308 PolarHBondContact N-O 3.15Å; N20-T323 PolarHBondContact O-OG1 3.11Å
21L98.6Very high94.8Very high2 Ų245.7 Ų45.71%0.0125%0.246CC..  trans-161.6122.3171-178.758.2000107.4N19 V23 F34 T35 V36 K311 A321 T323N19-L21 PolarHBondContact O-N 3.45Å; L21-V23 HydrophobicContact CG-CG2 4.33Å; L21-F34 HydrophobicContact CD1-CB 4.44Å; L21-F34 HydrophobicContact CD1-CD1 4.1Å; L21-T35 WeakPolarHBondContact CA-O 3.48Å; L21-V36 HydrophobicContact CD1-CG2 3.98Å; L21-K311 HydrophobicContact CB-CG 4.2Å; L21-K311 HydrophobicContact CD2-CB 4.07Å; L21-K311 HydrophobicContact CD2-CG 4.27Å; L21-K311 HydrophobicContact CG-CB 4.2Å; L21-K311 HydrophobicContact CG-CG 3.98Å; L21-K311 WeakPolarHBondContact O-CE 3.42Å; L21-K311 WeakPolarHBondContact O-CG 3.4Å; L21-A321 HydrophobicContact CD2-CB 3.92Å; L21-A321 WeakPolarHBondContact CD2-O 3.22Å; L21-T323 HydrophobicContact CB-CG2 4.33Å; L21-T323 HydrophobicContact CD1-CG2 3.89Å; L21-T323 HydrophobicContact CD2-CG2 4.32Å; L21-T323 HydrophobicContact CG-CG2 4.41Å
22S98.3Very high94.9Very high14 Ų1439.8 Ų39.810%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-117.4150.7165.2-165.20000109.3F34 T35 A76 A77 W78S22-F34 WeakPolarHBondContact O-CA 3.4Å; S22-T35 VanDerWaalsContact CB-OG1 3.25Å; S22-T35 WeakPolarHBondContact CB-OG1 3.22Å; S22-T35 PolarHBondContact N-O 3.2Å; S22-T35 VanDerWaalsContact N-O 3.11Å; S22-T35 PolarHBondContact O-N 3.06Å; S22-A76 WeakPolarHBondContact CB-O 3.44Å; S22-A77 WeakPolarHBondContact OG-CA 3.28Å; S22-W78 WeakPolarHBondContact O-CZ3 3.25Å; S22-W78 PolarHBondContact OG-N 3.25Å
23V97.8Very high94.9Very high29 Ų2941.2 Ų41.218%0.17622%0.223CC..EExtended strand (participates in β ladder)trans-132.4132.8-176.9-175.70000109.3L21 T32 Y33 F34 K311L21-V23 HydrophobicContact CG-CG2 4.33Å; V23-T32 HydrophobicContact CG1-CG2 3.39Å; V23-Y33 CarbonylContact C-O 3.49Å; V23-Y33 WeakPolarHBondContact CA-O 3.4Å; V23-F34 HydrophobicContact CG1-CD1 4.45Å; V23-F34 HydrophobicContact CG1-CE1 4.18Å; V23-F34 HydrophobicContact CG2-CD1 3.78Å; V23-F34 HydrophobicContact CG2-CE1 3.9Å; V23-K311 HydrophobicContact CB-CB 4.44Å; V23-K311 HydrophobicContact CG2-CB 3.54Å; V23-K311 HydrophobicContact CG2-CG 4.14Å
24L96.8Very high95Very high10 Ų1040.6 Ų40.65%0.05222%0.218CC..EExtended strand (participates in β ladder)trans-126.2114.4171.5175.166.3000109.5I26 Y33 W78 V80 D85L24-I26 HydrophobicContact CD1-CD1 4.29Å; L24-I26 HydrophobicContact CD2-CD1 3.91Å; L24-I26 HydrophobicContact CG-CD1 3.81Å; L24-I26 HydrophobicContact CG-CG1 4.46Å; L24-Y33 PolarHBondContact N-O 2.85Å; L24-Y33 PolarHBondContact O-N 2.52Å; L24-W78 HydrophobicContact CB-CB 4.23Å; L24-W78 HydrophobicContact CB-CD2 3.49Å; L24-W78 VanDerWaalsContact CB-CD2 3.49Å; L24-W78 HydrophobicContact CB-CE3 3.55Å; L24-W78 HydrophobicContact CB-CG 3.8Å; L24-W78 HydrophobicContact CB-CZ2 4.48Å; L24-W78 HydrophobicContact CB-CZ3 4.08Å; L24-W78 HydrophobicContact CD2-CD2 4.09Å; L24-W78 HydrophobicContact CD2-CG 3.85Å; L24-W78 HydrophobicContact CG-CD2 4.4Å; L24-W78 HydrophobicContact CG-CG 4.33Å; L24-V80 HydrophobicContact CD1-CG2 3.53Å; L24-D85 HydrophobicContact CD2-CB 4.38Å
25R93.8Very high95Very high103 Ų10340.7 Ų40.739%0.38922%0.219SC..EExtended strand (participates in β ladder)trans-90.6121.9178.1-175.5175.3176.6152.20.4110.5W49 C313R25-W49 HydrophobicContact CG-CZ2 4.12Å; R25-W49 VanDerWaalsContact NH2-CZ3 3.33Å; R25-C313 WeakPolarHBondContact CD-O 3.21Å
26I91.9Very high95Very high34 Ų3439.6 Ų39.617%0.17421%0.211CC..EExtended strand (participates in β ladder)trans-10688.8176.3-54.1-59.2000109.3L24 R29 S30 L31 Y33L24-I26 HydrophobicContact CD1-CD1 4.29Å; L24-I26 HydrophobicContact CD2-CD1 3.91Å; L24-I26 HydrophobicContact CG-CD1 3.81Å; L24-I26 HydrophobicContact CG-CG1 4.46Å; I26-R29 HydrophobicContact CG2-CB 4.06Å; I26-R29 HydrophobicContact CG2-CG 4.07Å; I26-R29 PolarHBondContact O-N 2.78Å; I26-S30 PolarHBondContact O-N 3.14Å; I26-L31 HydrophobicContact CB-CB 4.45Å; I26-L31 PolarHBondContact N-O 3.38Å; I26-L31 PolarHBondContact O-N 3.44Å; I26-Y33 HydrophobicContact CG1-CD2 3.79Å; I26-Y33 HydrophobicContact CG1-CE2 3.75Å
27A87.9Confident95.1Very high58 Ų5837.7 Ų37.748%0.47920%0.195SC..G310 helixtrans-57.4-44.6-174.600000115.8R29 S30 W49A27-R29 PolarHBondContact O-N 3.23Å; A27-S30 PolarHBondContact O-N 3.24Å; A27-W49 HydrophobicContact CB-CH2 4.31Å; A27-W49 HydrophobicContact CB-CZ2 4.2Å
28P88.3Confident95.2Very high127 Ų12738.7 Ų38.783%0.82520%0.199SC*.G310 helixtrans-63.6-16.4-178.7-24.435.5000114.8
29R86.8Confident95.3Very high182 Ų18238.6 Ų38.669%0.68721%0.206SC*.G310 helixtrans-113.90.2-177.9-60-175.1-177.1-169.11.4113.3I26 A27 L31I26-R29 HydrophobicContact CG2-CB 4.06Å; I26-R29 HydrophobicContact CG2-CG 4.07Å; I26-R29 PolarHBondContact O-N 2.78Å; A27-R29 PolarHBondContact O-N 3.23Å; R29-L31 HydrophobicContact CB-CB 4.43Å; R29-L31 HydrophobicContact CB-CD1 4.04Å; R29-L31 HydrophobicContact CB-CG 4.12Å; R29-L31 PolarHBondContact O-N 3.16Å
30S91.8Very high95.1Very high59 Ų5939.6 Ų39.641%0.41321%0.211SC..THydrogen-bonded Turntrans51.238.1-172.9-54.30000113.4I26 A27 W49I26-S30 PolarHBondContact O-N 3.14Å; A27-S30 PolarHBondContact O-N 3.24Å; S30-W49 VanDerWaalsContact C-CD1 3.43Å; S30-W49 VanDerWaalsContact O-CD1 3.31Å; S30-W49 PolarHBondContact O-N 3.43Å; S30-W49 VanDerWaalsContact O-N 3.12Å
31L93.7Very high95Very high42 Ų4241.3 Ų41.322%0.2222%0.219CC..EExtended strand (participates in β ladder)trans-113.2147.6179.5-70.6174.9000110.8I26 R29 Y33 A47 W49I26-L31 HydrophobicContact CB-CB 4.45Å; I26-L31 PolarHBondContact N-O 3.38Å; I26-L31 PolarHBondContact O-N 3.44Å; R29-L31 HydrophobicContact CB-CB 4.43Å; R29-L31 HydrophobicContact CB-CD1 4.04Å; R29-L31 HydrophobicContact CB-CG 4.12Å; R29-L31 PolarHBondContact O-N 3.16Å; L31-Y33 HydrophobicContact CB-CE2 4.18Å; L31-Y33 HydrophobicContact CD1-CE2 4.37Å; L31-A47 CarbonylContact C-O 3.55Å; L31-A47 WeakPolarHBondContact CA-O 3.4Å; L31-W49 PolarHBondContact O-NE1 2.81Å
32T95.5Very high94.9Very high3 Ų341.2 Ų41.22%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-124.5125.9168.4-56.90000108.1V23 F34 A47 W49V23-T32 HydrophobicContact CG1-CG2 3.39Å; T32-F34 HydrophobicContact CG2-CD2 4.41Å; T32-F34 HydrophobicContact CG2-CE1 3.92Å; T32-F34 HydrophobicContact CG2-CE2 3.7Å; T32-F34 HydrophobicContact CG2-CZ 3.41Å; T32-F34 VanDerWaalsContact CG2-CZ 3.41Å; T32-A47 PolarHBondContact N-O 2.92Å; T32-A47 PolarHBondContact O-N 2.84Å; T32-W49 VanDerWaalsContact OG1-CD1 3.26Å
33Y96.9Very high94.9Very high52 Ų5240.7 Ų40.720%0.20422%0.215CC..EExtended strand (participates in β ladder)trans-96.7142.1173.6-70.9-104.2000109.7V23 L24 I26 L31 V45 W78V23-Y33 CarbonylContact C-O 3.49Å; V23-Y33 WeakPolarHBondContact CA-O 3.4Å; L24-Y33 PolarHBondContact N-O 2.85Å; L24-Y33 PolarHBondContact O-N 2.52Å; I26-Y33 HydrophobicContact CG1-CD2 3.79Å; I26-Y33 HydrophobicContact CG1-CE2 3.75Å; L31-Y33 HydrophobicContact CB-CE2 4.18Å; L31-Y33 HydrophobicContact CD1-CE2 4.37Å; Y33-V45 CarbonylContact C-O 3.57Å; Y33-V45 VanDerWaalsContact CA-O 3.29Å; Y33-V45 WeakPolarHBondContact CA-O 3.19Å; Y33-W78 VanDerWaalsContact C-CH2 3.46Å; Y33-W78 HydrophobicContact CD1-CZ2 4.49Å; Y33-W78 HydrophobicContact CG-CZ2 4.38Å; Y33-W78 WeakPolarHBondContact O-CZ3 3.44Å
34F98Very high94.9Very high0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-125.3137.1176.5-57.5-87.2000109.6I8 L21 S22 V23 T32 M44 V45 A47 A321 I330I8-F34 HydrophobicContact CD1-CD2 4.33Å; I8-F34 HydrophobicContact CD1-CE2 3.8Å; I8-F34 HydrophobicContact CD1-CZ 4.34Å; L21-F34 HydrophobicContact CD1-CB 4.44Å; L21-F34 HydrophobicContact CD1-CD1 4.1Å; S22-F34 WeakPolarHBondContact O-CA 3.4Å; V23-F34 HydrophobicContact CG1-CD1 4.45Å; V23-F34 HydrophobicContact CG1-CE1 4.18Å; V23-F34 HydrophobicContact CG2-CD1 3.78Å; V23-F34 HydrophobicContact CG2-CE1 3.9Å; T32-F34 HydrophobicContact CG2-CD2 4.41Å; T32-F34 HydrophobicContact CG2-CE1 3.92Å; T32-F34 HydrophobicContact CG2-CE2 3.7Å; T32-F34 HydrophobicContact CG2-CZ 3.41Å; T32-F34 VanDerWaalsContact CG2-CZ 3.41Å; F34-M44 CarbonylContact O-C 3.53Å; F34-M44 WeakPolarHBondContact O-CA 3.3Å; F34-V45 HydrophobicContact CB-CB 4.49Å; F34-V45 PolarHBondContact N-O 3.3Å; F34-V45 PolarHBondContact O-N 2.93Å; F34-A47 HydrophobicContact CE2-CB 4.13Å; F34-A321 HydrophobicContact CD1-CB 4.35Å; F34-A321 HydrophobicContact CE1-CB 3.74Å; F34-I330 HydrophobicContact CB-CD1 3.53Å; F34-I330 HydrophobicContact CD1-CD1 4.39Å; F34-I330 HydrophobicContact CD1-CG2 4.41Å; F34-I330 HydrophobicContact CD2-CD1 4.35Å; F34-I330 HydrophobicContact CG-CD1 3.86Å
35T98.4Very high94.9Very high1 Ų139.2 Ų39.21%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-118.1134.1166.659.30000111.1L21 S22 V42 N43 M44 A76 W78 L87L21-T35 WeakPolarHBondContact CA-O 3.48Å; S22-T35 VanDerWaalsContact CB-OG1 3.25Å; S22-T35 WeakPolarHBondContact CB-OG1 3.22Å; S22-T35 PolarHBondContact N-O 3.2Å; S22-T35 VanDerWaalsContact N-O 3.11Å; S22-T35 PolarHBondContact O-N 3.06Å; T35-V42 HydrophobicContact CG2-CG1 3.96Å; T35-N43 CarbonylContact C-O 3.59Å; T35-N43 VanDerWaalsContact CA-O 3.27Å; T35-N43 WeakPolarHBondContact CA-O 3.03Å; T35-M44 HydrophobicContact CG2-CG 3.91Å; T35-A76 PolarHBondContact OG1-O 2.98Å; T35-W78 HydrophobicContact CG2-CE3 4.26Å; T35-W78 HydrophobicContact CG2-CH2 3.2Å; T35-W78 HydrophobicContact CG2-CZ2 3.51Å; T35-W78 HydrophobicContact CG2-CZ3 3.63Å; T35-L87 HydrophobicContact CG2-CD1 3.86Å
36V98.6Very high95Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-136124.5177.5-172.30000109.2M10 A14 L21 N43 T323 I330M10-V36 HydrophobicContact CE-CB 4.44Å; M10-V36 HydrophobicContact CE-CG1 4.13Å; M10-V36 HydrophobicContact SD-CB 3.7Å; M10-V36 HydrophobicContact SD-CG1 4.05Å; M10-V36 HydrophobicContact SD-CG2 3.58Å; M10-V36 VanDerWaalsContact SD-CG2 3.58Å; A14-V36 HydrophobicContact CB-CG1 3.46Å; A14-V36 VanDerWaalsContact CB-CG1 3.46Å; L21-V36 HydrophobicContact CD1-CG2 3.98Å; V36-N43 HydrophobicContact CB-CB 4.42Å; V36-N43 PolarHBondContact N-O 2.93Å; V36-N43 PolarHBondContact O-N 2.89Å; V36-T323 HydrophobicContact CB-CG2 4.49Å; V36-T323 HydrophobicContact CG1-CG2 4.02Å; V36-T323 HydrophobicContact CG2-CG2 3.6Å; V36-I330 HydrophobicContact CG2-CD1 4.07Å; V36-I330 HydrophobicContact CG2-CG1 4.13Å
37V98.4Very high95.1Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-79.1134.4-179.7-178.90000110.7S15 L17 N20 V42 I73 A76S15-V37 PolarHBondContact N-O 3.08Å; L17-V37 HydrophobicContact CD1-CB 3.93Å; L17-V37 HydrophobicContact CD1-CG1 3.62Å; N20-V37 PolarHBondContact ND2-O 3.31Å; N20-V37 WeakPolarHBondContact OD1-CA 3.46Å; N20-V37 VanDerWaalsContact OD1-CB 3.26Å; N20-V37 WeakPolarHBondContact OD1-CB 3.08Å; N20-V37 PolarHBondContact OD1-N 3Å; V37-V42 HydrophobicContact CG2-CG2 4.37Å; V37-I73 HydrophobicContact CB-CG2 4.38Å; V37-I73 HydrophobicContact CG1-CB 3.67Å; V37-I73 HydrophobicContact CG1-CG2 3.67Å; V37-I73 WeakPolarHBondContact CG1-O 3.43Å; V37-I73 HydrophobicContact CG2-CG2 3.74Å; V37-A76 HydrophobicContact CG2-CB 3.73Å
38H97.4Very high95.3Very high48 Ų4831.6 Ų31.622%0.22217%0.168CC..EExtended strand (participates in β ladder)trans-131.6100.1171.3-176.976.3000109.4S13 S15 N40 M41S13-H38 WeakPolarHBondContact O-CB 3.47Å; S13-H38 VanDerWaalsContact O-CG 3.24Å; S13-H38 PolarHBondContact O-ND1 2.82Å; S13-H38 PolarHBondContact OG-CE1 2.98Å; S13-H38 PolarHBondContact OG-ND1 3.32Å; S13-H38 VanDerWaalsContact OG-ND1 3.15Å; S15-H38 WeakPolarHBondContact OG-CA 3.32Å; H38-N40 PolarHBondContact O-N 2.9Å; H38-M41 CarbonylContact C-O 3.57Å; H38-M41 PolarHBondContact N-O 2.87Å; H38-M41 PolarHBondContact O-N 3.11Å
39A95.7Very high95.3Very high33 Ų3329.7 Ų29.727%0.27314%0.144SC..THydrogen-bonded Turntrans52.4-108.3-178.600000112.3S15 L72 I73S15-A39 PolarHBondContact OG-N 2.84Å; A39-L72 HydrophobicContact CB-CD2 4.03Å; A39-I73 PolarHBondContact O-N 3.46Å
40N94.7Very high95.1Very high29 Ų2925.1 Ų25.116%0.15513%0.134CC..THydrogen-bonded Turntrans-95.49.8179.963.8-13000113.7H38 S61 S70 S71 I73H38-N40 PolarHBondContact O-N 2.9Å; N40-S61 PolarHBondContact O-N 3.46Å; N40-S70 WeakPolarHBondContact ND2-CB 3.45Å; N40-S70 PolarHBondContact ND2-OG 3.29Å; N40-S71 VanDerWaalsContact CA-O 3.31Å; N40-S71 WeakPolarHBondContact CA-O 3.41Å; N40-S71 VanDerWaalsContact CB-O 3.22Å; N40-S71 WeakPolarHBondContact CB-O 3.45Å; N40-I73 WeakPolarHBondContact O-CD1 3.43Å
41M95.6Very high94.5Very high42 Ų4222.5 Ų22.521%0.20712%0.116CC..EExtended strand (participates in β ladder)trans-128.3158.2-176.3-66.7-178.5-65.900111.8H38 L59 Q60H38-M41 CarbonylContact C-O 3.57Å; H38-M41 PolarHBondContact N-O 2.87Å; H38-M41 PolarHBondContact O-N 3.11Å; M41-L59 CarbonylContact C-O 3.58Å; M41-L59 WeakPolarHBondContact CA-O 3.49Å; M41-Q60 HydrophobicContact CG-CB 4.25Å; M41-Q60 HydrophobicContact CG-CG 4.08Å
42V97.4Very high94Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-120.6120.3170.9-175.30000108.5T35 V37 M44 Q58 L59 I73 A76 L89T35-V42 HydrophobicContact CG2-CG1 3.96Å; V37-V42 HydrophobicContact CG2-CG2 4.37Å; V42-M44 HydrophobicContact CG1-CG 4.22Å; V42-M44 PolarHBondContact O-N 2.8Å; V42-Q58 WeakPolarHBondContact O-CA 3.43Å; V42-L59 HydrophobicContact CB-CB 4.48Å; V42-L59 PolarHBondContact N-O 2.78Å; V42-L59 PolarHBondContact O-N 2.72Å; V42-I73 HydrophobicContact CG2-CD1 3.54Å; V42-I73 HydrophobicContact CG2-CG2 4.18Å; V42-A76 HydrophobicContact CG1-CB 3.79Å; V42-A76 HydrophobicContact CG2-CB 3.88Å; V42-L89 HydrophobicContact CG2-CD1 3.98Å; V42-L89 HydrophobicContact CG2-CD2 3.77Å
43N97.9Very high93.7Very high2 Ų231.4 Ų31.41%0.01116%0.163CC..EExtended strand (participates in β ladder)trans-72.3118.6164.7-63.5-69.1000107.9M10 S12 T35 V36 Q58M10-N43 HydrophobicContact SD-CB 4.18Å; S12-N43 PolarHBondContact N-OD1 2.83Å; S12-N43 PolarHBondContact O-ND2 2.78Å; S12-N43 VanDerWaalsContact O-ND2 3.13Å; T35-N43 CarbonylContact C-O 3.59Å; T35-N43 VanDerWaalsContact CA-O 3.27Å; T35-N43 WeakPolarHBondContact CA-O 3.03Å; V36-N43 HydrophobicContact CB-CB 4.42Å; V36-N43 PolarHBondContact N-O 2.93Å; V36-N43 PolarHBondContact O-N 2.89Å; N43-Q58 PolarHBondContact OD1-NE2 2.74Å
44M97.6Very high93.5Very high7 Ų732.5 Ų32.53%0.03417%0.168CC..EExtended strand (participates in β ladder)trans-108121.7170.9-62.6-17869.900108.6F34 T35 V42 R57 L59 W78 L87F34-M44 CarbonylContact O-C 3.53Å; F34-M44 WeakPolarHBondContact O-CA 3.3Å; T35-M44 HydrophobicContact CG2-CG 3.91Å; V42-M44 HydrophobicContact CG1-CG 4.22Å; V42-M44 PolarHBondContact O-N 2.8Å; M44-R57 HydrophobicContact CB-CB 4.18Å; M44-R57 PolarHBondContact N-O 3.46Å; M44-R57 PolarHBondContact O-N 2.93Å; M44-R57 VanDerWaalsContact O-O 3.07Å; M44-L59 HydrophobicContact SD-CB 4.24Å; M44-L59 HydrophobicContact SD-CD2 4.36Å; M44-W78 HydrophobicContact CE-CZ2 4.06Å; M44-L87 HydrophobicContact CE-CD2 3.55Å; M44-L87 HydrophobicContact SD-CD2 3.72Å
45V96.8Very high93.3Very high1 Ų135.8 Ų35.81%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-124.6123.9-178.8-170.80000109.6I8 M10 Y33 F34 Y54 S55 I330I8-V45 HydrophobicContact CG2-CG1 3.55Å; M10-V45 HydrophobicContact CG-CG2 4.29Å; Y33-V45 CarbonylContact C-O 3.57Å; Y33-V45 VanDerWaalsContact CA-O 3.29Å; Y33-V45 WeakPolarHBondContact CA-O 3.19Å; F34-V45 HydrophobicContact CB-CB 4.49Å; F34-V45 PolarHBondContact N-O 3.3Å; F34-V45 PolarHBondContact O-N 2.93Å; V45-Y54 HydrophobicContact CG1-CD2 4.49Å; V45-S55 WeakPolarHBondContact CA-O 3.35Å; V45-I330 HydrophobicContact CB-CD1 4.48Å; V45-I330 HydrophobicContact CG2-CD1 4.35Å
46S95.3Very high93.1Very high16 Ų1638.6 Ų38.611%0.11220%0.204CC..EExtended strand (participates in β ladder)trans-99.6124.5169.867.40000108.4Y54 S55S46-Y54 CarbonylContact O-C 3.46Å; S46-Y54 WeakPolarHBondContact O-CA 3.41Å; S46-Y54 VanDerWaalsContact O-CB 3.26Å; S46-Y54 WeakPolarHBondContact O-CB 3.3Å; S46-S55 PolarHBondContact N-O 2.77Å; S46-S55 PolarHBondContact O-N 2.81Å; S46-S55 PolarHBondContact OG-OG 2.85Å
47A94.9Very high92.9Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-125.7148.117700000111.3I8 L31 T32 F34 N53I8-A47 HydrophobicContact CD1-CB 3.65Å; L31-A47 CarbonylContact C-O 3.55Å; L31-A47 WeakPolarHBondContact CA-O 3.4Å; T32-A47 PolarHBondContact N-O 2.92Å; T32-A47 PolarHBondContact O-N 2.84Å; F34-A47 HydrophobicContact CE2-CB 4.13Å; A47-N53 CarbonylContact C-O 3.55Å; A47-N53 VanDerWaalsContact CA-O 3.3Å; A47-N53 WeakPolarHBondContact CA-O 3.34Å
48S92.1Very high92.7Very high20 Ų2046.7 Ų46.714%0.1424%0.237CC..EExtended strand (participates in β ladder)trans-62.3156.1164.748.60000110.5D50 G51 N53 R332S48-D50 VanDerWaalsContact CB-OD1 3.22Å; S48-D50 WeakPolarHBondContact CB-OD1 3.4Å; S48-D50 PolarHBondContact O-N 3.18Å; S48-D50 PolarHBondContact OG-OD1 2.83Å; S48-G51 WeakPolarHBondContact O-CA 3.35Å; S48-G51 PolarHBondContact O-N 2.98Å; S48-N53 PolarHBondContact N-O 2.88Å; S48-N53 PolarHBondContact OG-N 2.86Å; S48-N53 VanDerWaalsContact OG-N 3.11Å; S48-N53 PolarHBondContact OG-O 3.07Å; S48-R332 PolarHBondContact O-NH1 2.88Å
49W87.4Confident92.5Very high86 Ų8644.9 Ų44.933%0.32623%0.229SC..THydrogen-bonded Turntrans-58.3-33.5-179.3-71.6-8.2000113.8R25 A27 S30 L31 T32 G51 R332R25-W49 HydrophobicContact CG-CZ2 4.12Å; R25-W49 VanDerWaalsContact NH2-CZ3 3.33Å; A27-W49 HydrophobicContact CB-CH2 4.31Å; A27-W49 HydrophobicContact CB-CZ2 4.2Å; S30-W49 VanDerWaalsContact C-CD1 3.43Å; S30-W49 VanDerWaalsContact O-CD1 3.31Å; S30-W49 PolarHBondContact O-N 3.43Å; S30-W49 VanDerWaalsContact O-N 3.12Å; L31-W49 PolarHBondContact O-NE1 2.81Å; T32-W49 VanDerWaalsContact OG1-CD1 3.26Å; W49-G51 PolarHBondContact O-N 3.07Å; W49-R332 PolarHBondContact O-NH1 3.14Å; W49-R332 PolarHBondContact O-NH2 2.84Å
50D82.5Confident92.3Very high86 Ų8648.2 Ų48.246%0.4624%0.239SC..THydrogen-bonded Turntrans-73.5-6172.563.89.4000114.2S48 L52S48-D50 VanDerWaalsContact CB-OD1 3.22Å; S48-D50 WeakPolarHBondContact CB-OD1 3.4Å; S48-D50 PolarHBondContact O-N 3.18Å; S48-D50 PolarHBondContact OG-OD1 2.83Å; D50-L52 HydrophobicContact CB-CD1 4.37Å; D50-L52 HydrophobicContact CB-CG 4.18Å; D50-L52 PolarHBondContact O-N 2.89Å; D50-L52 VanDerWaalsContact O-N 3.14Å; D50-L52 PolarHBondContact OD1-N 3.32Å
51G79.6Confident91.9Very high5 Ų547.1 Ų47.15%0.05223%0.233CC..SBendtrans69.33.3-179.300000115.2S48 W49S48-G51 WeakPolarHBondContact O-CA 3.35Å; S48-G51 PolarHBondContact O-N 2.98Å; W49-G51 PolarHBondContact O-N 3.07Å
52L82.6Confident91.3Very high114 Ų11450.5 Ų50.560%0.59725%0.247SC*.SBendtrans-78.2-33.1-172.7-64.7-179.7000113.1D50D50-L52 HydrophobicContact CB-CD1 4.37Å; D50-L52 HydrophobicContact CB-CG 4.18Å; D50-L52 PolarHBondContact O-N 2.89Å; D50-L52 VanDerWaalsContact O-N 3.14Å; D50-L52 PolarHBondContact OD1-N 3.32Å
53N90.1Very high90Very high117 Ų11752.5 Ų52.563%0.62626%0.257SS*.SBendtrans-117.4128.3179.4-63.1-69.8000109.6A47 S48A47-N53 CarbonylContact C-O 3.55Å; A47-N53 VanDerWaalsContact CA-O 3.3Å; A47-N53 WeakPolarHBondContact CA-O 3.34Å; S48-N53 PolarHBondContact N-O 2.88Å; S48-N53 PolarHBondContact OG-N 2.86Å; S48-N53 VanDerWaalsContact OG-N 3.11Å; S48-N53 PolarHBondContact OG-O 3.07Å
54Y92.6Very high88.3Confident75 Ų7555.1 Ų55.129%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-146.5157.4175.656.1-101000113I8 V45 S46 H56I8-Y54 HydrophobicContact CG1-CD1 4.41Å; I8-Y54 HydrophobicContact CG2-CD1 3.9Å; I8-Y54 HydrophobicContact CG2-CD2 4.11Å; I8-Y54 HydrophobicContact CG2-CE1 4.23Å; I8-Y54 HydrophobicContact CG2-CE2 4.44Å; I8-Y54 HydrophobicContact CG2-CG 3.82Å; V45-Y54 HydrophobicContact CG1-CD2 4.49Å; S46-Y54 CarbonylContact O-C 3.46Å; S46-Y54 WeakPolarHBondContact O-CA 3.41Å; S46-Y54 VanDerWaalsContact O-CB 3.26Å; S46-Y54 WeakPolarHBondContact O-CB 3.3Å; Y54-H56 AromaticContact CD2-CE1 3.22Å; Y54-H56 WeakPolarHBondContact CD2-CE1 3.48Å; Y54-H56 AromaticContact CD2-NE2 3.25Å; Y54-H56 VanDerWaalsContact CD2-NE2 3.25Å; Y54-H56 WeakPolarHBondContact CD2-NE2 3.01Å; Y54-H56 AromaticContact CE2-CE1 3.33Å; Y54-H56 WeakPolarHBondContact CE2-CE1 3.33Å; Y54-H56 AromaticContact CE2-NE2 3.12Å; Y54-H56 WeakPolarHBondContact CE2-NE2 3.13Å
55S94.3Very high86.3Confident69 Ų6963 Ų6348%0.48332%0.321SS..EExtended strand (participates in β ladder)trans-130.6151.4177.390.70000110.5V45 S46V45-S55 WeakPolarHBondContact CA-O 3.35Å; S46-S55 PolarHBondContact N-O 2.77Å; S46-S55 PolarHBondContact O-N 2.81Å; S46-S55 PolarHBondContact OG-OG 2.85Å
56H93.6Very high84.6Confident61 Ų6166.5 Ų66.528%0.28234%0.342SS..EExtended strand (participates in β ladder)trans-119.4139-176.5-50.6-68.5000112.4Q9 K11 Y54Q9-H56 PolarHBondContact O-CE1 2.84Å; Q9-H56 PolarHBondContact O-ND1 2.85Å; K11-H56 HydrophobicContact CD-CB 4.17Å; K11-H56 HydrophobicContact CG-CB 4.26Å; Y54-H56 AromaticContact CD2-CE1 3.22Å; Y54-H56 WeakPolarHBondContact CD2-CE1 3.48Å; Y54-H56 AromaticContact CD2-NE2 3.25Å; Y54-H56 VanDerWaalsContact CD2-NE2 3.25Å; Y54-H56 WeakPolarHBondContact CD2-NE2 3.01Å; Y54-H56 AromaticContact CE2-CE1 3.33Å; Y54-H56 WeakPolarHBondContact CE2-CE1 3.33Å; Y54-H56 AromaticContact CE2-NE2 3.12Å; Y54-H56 WeakPolarHBondContact CE2-NE2 3.13Å
57R94.6Very high82.5Confident100 Ų10070.8 Ų70.838%0.37738%0.378SS..EExtended strand (participates in β ladder)trans-129.8148.3165.4179.4-178.9-167.7153.115.9108.5M44 D101 G102M44-R57 HydrophobicContact CB-CB 4.18Å; M44-R57 PolarHBondContact N-O 3.46Å; M44-R57 PolarHBondContact O-N 2.93Å; M44-R57 VanDerWaalsContact O-O 3.07Å; R57-D101 PolarHBondContact NH1-O 2.92Å; R57-G102 PolarHBondContact NH2-O 2.83Å
58Q94.3Very high80.5Confident69 Ų6977.1 Ų77.132%0.32242%0.417SS..EExtended strand (participates in β ladder)trans-117135.1167.4-74.9-179.9-46.800108.6K11 S12 V42 N43K11-Q58 HydrophobicContact CB-CG 4.36Å; K11-Q58 HydrophobicContact CD-CG 4.27Å; S12-Q58 PolarHBondContact OG-NE2 2.96Å; V42-Q58 WeakPolarHBondContact O-CA 3.43Å; N43-Q58 PolarHBondContact OD1-NE2 2.74Å
59L93.6Very high78.8Confident10 Ų1078 Ų785%0.05242%0.423CS..EExtended strand (participates in β ladder)trans-114.3118.7175.1-177.258.3000107.7M41 V42 M44 L87 L89 Y98M41-L59 CarbonylContact C-O 3.58Å; M41-L59 WeakPolarHBondContact CA-O 3.49Å; V42-L59 HydrophobicContact CB-CB 4.48Å; V42-L59 PolarHBondContact N-O 2.78Å; V42-L59 PolarHBondContact O-N 2.72Å; M44-L59 HydrophobicContact SD-CB 4.24Å; M44-L59 HydrophobicContact SD-CD2 4.36Å; L59-L87 HydrophobicContact CD2-CD2 4.06Å; L59-L89 HydrophobicContact CD2-CD1 3.68Å; L59-L89 HydrophobicContact CD2-CG 4.46Å; L59-L89 HydrophobicContact CG-CD1 4.02Å; L59-Y98 HydrophobicContact CD1-CD1 4.43Å; L59-Y98 HydrophobicContact CD1-CE1 3.8Å; L59-Y98 HydrophobicContact CD2-CD1 4.12Å; L59-Y98 HydrophobicContact CD2-CD2 3.93Å; L59-Y98 HydrophobicContact CD2-CE1 4.05Å; L59-Y98 HydrophobicContact CD2-CE2 3.83Å; L59-Y98 HydrophobicContact CD2-CG 4.08Å; L59-Y98 HydrophobicContact CG-CE1 4.46Å
60Q91.4Very high78Confident104 Ų10476.8 Ų76.849%0.48643%0.428SS..EExtended strand (participates in β ladder)trans-90.5143.5176.9-167.9171.518.900109.5M41 K62M41-Q60 HydrophobicContact CG-CB 4.25Å; M41-Q60 HydrophobicContact CG-CG 4.08Å; Q60-K62 PolarHBondContact O-N 2.62Å
61S85.1Confident78.3Confident5 Ų573 Ų734%0.03541%0.408CS..  trans-56.7130.9170179.60000110N40 Q96N40-S61 PolarHBondContact O-N 3.46Å; S61-Q96 PolarHBondContact OG-NE2 2.93Å
62K82.8Confident78.9Confident114 Ų11476.6 Ų76.650%0.49643%0.426SS..  trans-107.8137.6174.7-64.5-179.1-178.7177.70110.3Q60 Q96Q60-K62 PolarHBondContact O-N 2.62Å; K62-Q96 PolarHBondContact O-NE2 2.74Å
63E71.9Confident79.6Confident42 Ų4271.3 Ų71.320%0.19640%0.398CS..  trans-101.3143.2163.5-71.6179.7-152.700109.2N65 S69E63-N65 PolarHBondContact O-N 2.75Å; E63-S69 VanDerWaalsContact CD-CB 3.48Å; E63-S69 WeakPolarHBondContact OE1-CB 3.32Å; E63-S69 PolarHBondContact OE1-OG 3.02Å; E63-S69 VanDerWaalsContact OE2-CB 3.23Å; E63-S69 WeakPolarHBondContact OE2-CB 3.06Å; E63-S69 PolarHBondContact OE2-OG 2.95Å
64A61.5Low79.9Confident57 Ų5766.8 Ų66.847%0.47137%0.374SS..THydrogen-bonded Turntrans-65.5126.3171.800000109.1V66A64-V66 PolarHBondContact O-N 2.68Å
65N55.8Low80.2Confident172 Ų17264 Ų6492%0.9236%0.363SS*.THydrogen-bonded Turntrans6918.1170.1-52.9-37.9000117.8E63E63-N65 PolarHBondContact O-N 2.75Å
66V59.7Low80.4Confident74 Ų7460.9 Ų60.945%0.44834%0.342SS..  trans-128.9125.8173.2-170.10000110.5A64 T68 S69A64-V66 PolarHBondContact O-N 2.68Å; V66-T68 PolarHBondContact O-N 3.5Å; V66-S69 VanDerWaalsContact CB-OG 3.23Å; V66-S69 WeakPolarHBondContact CB-OG 3.47Å; V66-S69 WeakPolarHBondContact CG1-OG 3.19Å
67A52.1Low80.6Confident107 Ų10758.5 Ų58.588%0.88433%0.333SS*.SBendtrans-78.2-15-173.800000114.3
68T52.4Low80.8Confident133 Ų13354.8 Ų54.882%0.81632%0.319SS*.SBendtrans-139.63-166.852.10000115.7V66V66-T68 PolarHBondContact O-N 3.5Å
69S55.9Low81Confident38 Ų3851.6 Ų51.627%0.26630%0.304SS..  trans-89.7131.3173.451.40000110.2E63 V66E63-S69 VanDerWaalsContact CD-CB 3.48Å; E63-S69 WeakPolarHBondContact OE1-CB 3.32Å; E63-S69 PolarHBondContact OE1-OG 3.02Å; E63-S69 VanDerWaalsContact OE2-CB 3.23Å; E63-S69 WeakPolarHBondContact OE2-CB 3.06Å; E63-S69 PolarHBondContact OE2-OG 2.95Å; V66-S69 VanDerWaalsContact CB-OG 3.23Å; V66-S69 WeakPolarHBondContact CB-OG 3.47Å; V66-S69 WeakPolarHBondContact CG1-OG 3.19Å
70S72.5Confident81Confident61 Ų6155.2 Ų55.243%0.42733%0.326SS..  trans-124.8119.6174.971.70000109.2N40N40-S70 WeakPolarHBondContact ND2-CB 3.45Å; N40-S70 PolarHBondContact ND2-OG 3.29Å
71S87.2Confident81.2Confident5 Ų550.5 Ų50.54%0.03530%0.304CS..PPolyproline II helixtrans-86143.6177.6-172.80000111.3N40 I73 Q92 K93N40-S71 VanDerWaalsContact CA-O 3.31Å; N40-S71 WeakPolarHBondContact CA-O 3.41Å; N40-S71 VanDerWaalsContact CB-O 3.22Å; N40-S71 WeakPolarHBondContact CB-O 3.45Å; S71-I73 PolarHBondContact O-N 3.47Å; S71-Q92 WeakPolarHBondContact OG-CB 3.04Å; S71-Q92 PolarHBondContact OG-N 2.97Å; S71-K93 VanDerWaalsContact OG-CG 3.32Å; S71-K93 WeakPolarHBondContact OG-CG 3.39Å; S71-K93 PolarHBondContact OG-N 2.94Å
72L93.3Very high81.5Confident81 Ų8154.5 Ų54.542%0.42433%0.33SS..PPolyproline II helixtrans-65.2128.9169.7-66.3177000109.2A39 S91 Q92A39-L72 HydrophobicContact CB-CD2 4.03Å; L72-S91 CarbonylContact O-C 3.57Å; L72-S91 WeakPolarHBondContact O-CA 3.43Å; L72-S91 VanDerWaalsContact O-CB 3.25Å; L72-S91 WeakPolarHBondContact O-CB 3.07Å; L72-Q92 HydrophobicContact CB-CG 4.2Å; L72-Q92 PolarHBondContact O-N 3.36Å; L72-Q92 VanDerWaalsContact O-N 3.07Å
73I96.8Very high81.8Confident3 Ų351.5 Ų51.52%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-83.3132.2174.9-62.9178.7000107.3L17 V37 A39 N40 V42 S71 L89 T90L17-I73 WeakPolarHBondContact CD1-O 3.4Å; V37-I73 HydrophobicContact CB-CG2 4.38Å; V37-I73 HydrophobicContact CG1-CB 3.67Å; V37-I73 HydrophobicContact CG1-CG2 3.67Å; V37-I73 WeakPolarHBondContact CG1-O 3.43Å; V37-I73 HydrophobicContact CG2-CG2 3.74Å; A39-I73 PolarHBondContact O-N 3.46Å; N40-I73 WeakPolarHBondContact O-CD1 3.43Å; V42-I73 HydrophobicContact CG2-CD1 3.54Å; V42-I73 HydrophobicContact CG2-CG2 4.18Å; S71-I73 PolarHBondContact O-N 3.47Å; I73-L89 HydrophobicContact CD1-CD1 4.23Å; I73-T90 CarbonylContact C-O 3.54Å; I73-T90 WeakPolarHBondContact CA-O 3.42Å; I73-T90 WeakPolarHBondContact CG2-O 3.47Å
74M97.4Very high82.8Confident23 Ų2350.9 Ų50.911%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-98.6-28.6-176.8-57.6-50.6-71.200112.6T90 Q92 F123 A124 R125M74-T90 PolarHBondContact N-O 2.85Å; M74-Q92 HydrophobicContact SD-CG 4.11Å; M74-F123 HydrophobicContact CE-CD2 4.24Å; M74-F123 HydrophobicContact CE-CG 4.21Å; M74-F123 HydrophobicContact CG-CB 3.88Å; M74-F123 HydrophobicContact CG-CD2 4.35Å; M74-F123 HydrophobicContact CG-CG 4.35Å; M74-F123 HydrophobicContact SD-CB 4.48Å; M74-A124 VanDerWaalsContact CB-O 3.22Å; M74-A124 WeakPolarHBondContact CB-O 3.42Å; M74-R125 HydrophobicContact CB-CB 4.32Å; M74-R125 PolarHBondContact O-NE 3.35Å; M74-R125 PolarHBondContact O-NH2 3.01Å
75Q98.3Very high84.4Confident15 Ų1550.2 Ų50.27%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-162.7146.7175.9-166.1175.35.100110.4T90 G126 I127Q75-T90 WeakPolarHBondContact CB-OG1 3.32Å; Q75-T90 PolarHBondContact N-OG1 3.15Å; Q75-T90 PolarHBondContact O-N 2.88Å; Q75-T90 PolarHBondContact O-OG1 2.9Å; Q75-G126 VanDerWaalsContact OE1-CA 3.22Å; Q75-I127 HydrophobicContact CB-CD1 4.08Å; Q75-I127 HydrophobicContact CG-CD1 3.99Å
76A98.4Very high86.4Confident5 Ų542 Ų424%0.04126%0.264CS..EExtended strand (participates in β ladder)trans-126.4124.8168.600000108.3S22 T35 V37 V42 V88 L89S22-A76 WeakPolarHBondContact CB-O 3.44Å; T35-A76 PolarHBondContact OG1-O 2.98Å; V37-A76 HydrophobicContact CG2-CB 3.73Å; V42-A76 HydrophobicContact CG1-CB 3.79Å; V42-A76 HydrophobicContact CG2-CB 3.88Å; A76-V88 WeakPolarHBondContact CA-O 3.39Å; A76-L89 HydrophobicContact CB-CD2 3.48Å; A76-L89 VanDerWaalsContact CB-CD2 3.48Å
77A98.4Very high88.2Confident11 Ų1138.5 Ų38.59%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-145.6143.1179.800000112.2S22 V88 I127S22-A77 WeakPolarHBondContact OG-CA 3.28Å; A77-V88 PolarHBondContact N-O 3.35Å; A77-V88 PolarHBondContact O-N 2.98Å; A77-I127 HydrophobicContact CB-CB 4.18Å; A77-I127 HydrophobicContact CB-CD1 3.93Å; A77-I127 HydrophobicContact CB-CG2 4.22Å
78W98.1Very high90.4Very high21 Ų2133.4 Ų33.48%0.0820%0.201CC..EExtended strand (participates in β ladder)trans-78.6128.9165.2-73.5-75.9000110.7S22 L24 Y33 T35 M44 I86 L87 S100S22-W78 WeakPolarHBondContact O-CZ3 3.25Å; S22-W78 PolarHBondContact OG-N 3.25Å; L24-W78 HydrophobicContact CB-CB 4.23Å; L24-W78 HydrophobicContact CB-CD2 3.49Å; L24-W78 VanDerWaalsContact CB-CD2 3.49Å; L24-W78 HydrophobicContact CB-CE3 3.55Å; L24-W78 HydrophobicContact CB-CG 3.8Å; L24-W78 HydrophobicContact CB-CZ2 4.48Å; L24-W78 HydrophobicContact CB-CZ3 4.08Å; L24-W78 HydrophobicContact CD2-CD2 4.09Å; L24-W78 HydrophobicContact CD2-CG 3.85Å; L24-W78 HydrophobicContact CG-CD2 4.4Å; L24-W78 HydrophobicContact CG-CG 4.33Å; Y33-W78 VanDerWaalsContact C-CH2 3.46Å; Y33-W78 HydrophobicContact CD1-CZ2 4.49Å; Y33-W78 HydrophobicContact CG-CZ2 4.38Å; Y33-W78 WeakPolarHBondContact O-CZ3 3.44Å; T35-W78 HydrophobicContact CG2-CE3 4.26Å; T35-W78 HydrophobicContact CG2-CH2 3.2Å; T35-W78 HydrophobicContact CG2-CZ2 3.51Å; T35-W78 HydrophobicContact CG2-CZ3 3.63Å; M44-W78 HydrophobicContact CE-CZ2 4.06Å; W78-I86 WeakPolarHBondContact CA-O 3.46Å; W78-L87 HydrophobicContact CD2-CD1 4.26Å; W78-L87 HydrophobicContact CG-CD1 4.31Å; W78-S100 PolarHBondContact NE1-O 3.11Å
79C97.7Very high92.6Very high2 Ų227.1 Ų27.11%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-96.7103.2166-720000108.3L81 I86 V88 I127 A129 I135C79-L81 PolarHBondContact O-N 3.27Å; C79-I86 PolarHBondContact N-O 2.74Å; C79-I86 PolarHBondContact O-N 3.38Å; C79-V88 HydrophobicContact CB-CG2 4.3Å; C79-I127 WeakPolarHBondContact SG-CG2 3.45Å; C79-A129 HydrophobicContact CB-CB 3.74Å; C79-I135 HydrophobicContact CB-CD1 3.57Å; C79-I135 HydrophobicContact CB-CG1 3.82Å
80V95.2Very high94.6Very high86 Ų8625.3 Ų25.352%0.52115%0.15SC..EExtended strand (participates in β ladder)trans-85.8100.2177.1178.10000107.9L24 D85L24-V80 HydrophobicContact CD1-CG2 3.53Å; V80-D85 WeakPolarHBondContact CG1-OD1 3.3Å
81L94.4Very high95.7Very high5 Ų522.5 Ų22.53%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-97.4151.6171.6-58.6166.4000109C79 S83 R84 A129 I135 V149C79-L81 PolarHBondContact O-N 3.27Å; L81-S83 PolarHBondContact O-N 3.2Å; L81-R84 VanDerWaalsContact CB-O 3.31Å; L81-R84 WeakPolarHBondContact CB-O 3.39Å; L81-R84 PolarHBondContact N-O 3.03Å; L81-R84 VanDerWaalsContact N-O 3.16Å; L81-R84 CarbonylContact O-C 3.56Å; L81-R84 PolarHBondContact O-N 2.85Å; L81-R84 VanDerWaalsContact O-N 3.1Å; L81-A129 HydrophobicContact CD2-CB 3.94Å; L81-I135 HydrophobicContact CD1-CD1 4.45Å; L81-I135 HydrophobicContact CD1-CG1 4.34Å; L81-V149 HydrophobicContact CD1-CB 3.75Å; L81-V149 HydrophobicContact CD1-CG1 3.77Å; L81-V149 HydrophobicContact CD1-CG2 4.11Å
82P91.9Very high95.9Very high89 Ų8925.9 Ų25.958%0.57815%0.145SC*.THydrogen-bonded Turntrans-54.5-31.2179.5-32.442.5000114.3E132P82-E132 WeakPolarHBondContact CB-OE2 3.48Å; P82-E132 WeakPolarHBondContact CG-OE2 3.46Å
83S89Confident95.7Very high52 Ų5225.6 Ų25.636%0.36414%0.14SC..THydrogen-bonded Turntrans-87.9-28.617856.70000115.4L81L81-S83 PolarHBondContact O-N 3.2Å
84R92.6Very high95.6Very high28 Ų2825.4 Ų25.411%0.10614%0.14CC..EExtended strand (participates in β ladder)trans-169.1150.1-174.867.6-176.1-155.41674.8112.8L81 I86 P150 G153 I156L81-R84 VanDerWaalsContact CB-O 3.31Å; L81-R84 WeakPolarHBondContact CB-O 3.39Å; L81-R84 PolarHBondContact N-O 3.03Å; L81-R84 VanDerWaalsContact N-O 3.16Å; L81-R84 CarbonylContact O-C 3.56Å; L81-R84 PolarHBondContact O-N 2.85Å; L81-R84 VanDerWaalsContact O-N 3.1Å; R84-I86 HydrophobicContact CG-CD1 4.39Å; R84-I86 HydrophobicContact CG-CG1 4.15Å; R84-P150 PolarHBondContact NE-O 3.25Å; R84-G153 PolarHBondContact NH1-O 3.32Å; R84-I156 VanDerWaalsContact NH2-CD1 3.34Å
85D95.1Very high95.5Very high43 Ų4324.3 Ų24.323%0.2313%0.134CC..EExtended strand (participates in β ladder)trans-92.1131.1172.8-59.3-29.1000110.2L24 V80 S100L24-D85 HydrophobicContact CD2-CB 4.38Å; V80-D85 WeakPolarHBondContact CG1-OD1 3.3Å; D85-S100 WeakPolarHBondContact O-CB 3.23Å
86I97.5Very high95.4Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-122.9129.6178.3-65.8-65.7000109.8W78 C79 R84 V88 M97 V106 I135 V149W78-I86 WeakPolarHBondContact CA-O 3.46Å; C79-I86 PolarHBondContact N-O 2.74Å; C79-I86 PolarHBondContact O-N 3.38Å; R84-I86 HydrophobicContact CG-CD1 4.39Å; R84-I86 HydrophobicContact CG-CG1 4.15Å; I86-V88 HydrophobicContact CG2-CG2 3.94Å; I86-M97 HydrophobicContact CG2-CB 3.81Å; I86-M97 HydrophobicContact CG2-CG 4.41Å; I86-V106 HydrophobicContact CD1-CG2 4.32Å; I86-I135 HydrophobicContact CB-CD1 3.99Å; I86-I135 HydrophobicContact CG2-CD1 3.9Å; I86-V149 HydrophobicContact CG1-CG1 4.43Å
87L98.1Very high95.4Very high0 Ų023.4 Ų23.40%013%0.129CC..EExtended strand (participates in β ladder)trans-86.9119.1171.3175.964.9000109T35 M44 L59 W78 L89 M97 Y98T35-L87 HydrophobicContact CG2-CD1 3.86Å; M44-L87 HydrophobicContact CE-CD2 3.55Å; M44-L87 HydrophobicContact SD-CD2 3.72Å; L59-L87 HydrophobicContact CD2-CD2 4.06Å; W78-L87 HydrophobicContact CD2-CD1 4.26Å; W78-L87 HydrophobicContact CG-CD1 4.31Å; L87-L89 HydrophobicContact CD1-CD2 4.24Å; L87-L89 HydrophobicContact CD2-CD2 4.41Å; L87-L89 HydrophobicContact CG-CD2 4.11Å; L87-M97 WeakPolarHBondContact O-CA 3.49Å; L87-Y98 PolarHBondContact N-O 3.25Å; L87-Y98 PolarHBondContact O-N 3.12Å
88V98.5Very high95.3Very high0 Ų022.9 Ų22.90%013%0.125CC..EExtended strand (participates in β ladder)trans-108.2127.9-179.7-175.20000109.5A76 A77 C79 I86 T90 I95 Q96 M97 I127 I135 V137A76-V88 WeakPolarHBondContact CA-O 3.39Å; A77-V88 PolarHBondContact N-O 3.35Å; A77-V88 PolarHBondContact O-N 2.98Å; C79-V88 HydrophobicContact CB-CG2 4.3Å; I86-V88 HydrophobicContact CG2-CG2 3.94Å; V88-T90 HydrophobicContact CG1-CG2 4.42Å; V88-I95 HydrophobicContact CG1-CG2 3.89Å; V88-Q96 WeakPolarHBondContact CA-O 3.46Å; V88-M97 HydrophobicContact CG1-CG 4.5Å; V88-M97 HydrophobicContact CG2-CG 4.28Å; V88-I127 HydrophobicContact CB-CD1 4.15Å; V88-I127 HydrophobicContact CB-CG2 3.99Å; V88-I127 HydrophobicContact CG1-CD1 3.98Å; V88-I127 HydrophobicContact CG1-CG1 4.35Å; V88-I127 HydrophobicContact CG1-CG2 4.14Å; V88-I127 HydrophobicContact CG2-CG2 4.29Å; V88-I135 HydrophobicContact CG2-CD1 3.96Å; V88-I135 HydrophobicContact CG2-CG2 4.07Å; V88-V137 HydrophobicContact CG1-CG2 4.37Å
89L98.1Very high95.1Very high2 Ų225 Ų251%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-113.1127.9171.6-49.4-170.1000109.2V42 L59 I73 A76 L87 I95 Q96 Y98V42-L89 HydrophobicContact CG2-CD1 3.98Å; V42-L89 HydrophobicContact CG2-CD2 3.77Å; L59-L89 HydrophobicContact CD2-CD1 3.68Å; L59-L89 HydrophobicContact CD2-CG 4.46Å; L59-L89 HydrophobicContact CG-CD1 4.02Å; I73-L89 HydrophobicContact CD1-CD1 4.23Å; A76-L89 HydrophobicContact CB-CD2 3.48Å; A76-L89 VanDerWaalsContact CB-CD2 3.48Å; L87-L89 HydrophobicContact CD1-CD2 4.24Å; L87-L89 HydrophobicContact CD2-CD2 4.41Å; L87-L89 HydrophobicContact CG-CD2 4.11Å; L89-I95 CarbonylContact O-C 3.5Å; L89-I95 WeakPolarHBondContact O-CA 3.46Å; L89-Q96 HydrophobicContact CB-CB 4.31Å; L89-Q96 PolarHBondContact N-O 3.12Å; L89-Q96 PolarHBondContact O-N 3.37Å; L89-Y98 HydrophobicContact CD1-CD2 4.39Å; L89-Y98 HydrophobicContact CD1-CE2 3.85Å; L89-Y98 HydrophobicContact CG-CD2 4.28Å; L89-Y98 HydrophobicContact CG-CE2 4.12Å
90T97.8Very high94.9Very high0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans-109.5144.7173.257.70000109.5I73 M74 Q75 V88 I95 A124 I127 V137I73-T90 CarbonylContact C-O 3.54Å; I73-T90 WeakPolarHBondContact CA-O 3.42Å; I73-T90 WeakPolarHBondContact CG2-O 3.47Å; M74-T90 PolarHBondContact N-O 2.85Å; Q75-T90 WeakPolarHBondContact CB-OG1 3.32Å; Q75-T90 PolarHBondContact N-OG1 3.15Å; Q75-T90 PolarHBondContact O-N 2.88Å; Q75-T90 PolarHBondContact O-OG1 2.9Å; V88-T90 HydrophobicContact CG1-CG2 4.42Å; T90-I95 HydrophobicContact CG2-CG1 4.42Å; T90-A124 VanDerWaalsContact CB-O 3.23Å; T90-A124 WeakPolarHBondContact CB-O 3.29Å; T90-A124 HydrophobicContact CG2-CB 3.9Å; T90-A124 PolarHBondContact OG1-O 2.94Å; T90-I127 HydrophobicContact CG2-CD1 3.71Å; T90-I127 HydrophobicContact CG2-CG1 3.75Å; T90-V137 HydrophobicContact CG2-CG1 3.54Å
91S95.5Very high94.8Very high1 Ų125.9 Ų25.91%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-146.9177.9-173.269.30000111.1L72 K93 G94 F123 A124L72-S91 CarbonylContact O-C 3.57Å; L72-S91 WeakPolarHBondContact O-CA 3.43Å; L72-S91 VanDerWaalsContact O-CB 3.25Å; L72-S91 WeakPolarHBondContact O-CB 3.07Å; S91-K93 PolarHBondContact O-N 3.45Å; S91-K93 PolarHBondContact OG-N 2.92Å; S91-G94 PolarHBondContact N-O 2.82Å; S91-G94 PolarHBondContact OG-N 3.1Å; S91-G94 VanDerWaalsContact OG-N 3.12Å; S91-G94 PolarHBondContact OG-O 2.95Å; S91-F123 WeakPolarHBondContact O-CA 3.21Å; S91-A124 PolarHBondContact O-N 3.43Å
92Q91.9Very high94.7Very high77 Ų7725.7 Ų25.736%0.3614%0.139SC..SBendtrans-66.8-12170.9-63.3179.2-44.900113.8S71 L72 M74 V122 F123S71-Q92 WeakPolarHBondContact OG-CB 3.04Å; S71-Q92 PolarHBondContact OG-N 2.97Å; L72-Q92 HydrophobicContact CB-CG 4.2Å; L72-Q92 PolarHBondContact O-N 3.36Å; L72-Q92 VanDerWaalsContact O-N 3.07Å; M74-Q92 HydrophobicContact SD-CG 4.11Å; Q92-V122 CarbonylContact C-O 3.59Å; Q92-V122 VanDerWaalsContact CA-O 3.28Å; Q92-V122 WeakPolarHBondContact CA-O 2.97Å; Q92-F123 HydrophobicContact CG-CB 4.33Å
93K89.4Confident94.7Very high74 Ų7423.9 Ų23.932%0.32213%0.129SC..SBendtrans-113.1-20.4-174.2-69.3-70175.7-171.70114.1S71 S91 W108 L111 D112S71-K93 VanDerWaalsContact OG-CG 3.32Å; S71-K93 WeakPolarHBondContact OG-CG 3.39Å; S71-K93 PolarHBondContact OG-N 2.94Å; S91-K93 PolarHBondContact O-N 3.45Å; S91-K93 PolarHBondContact OG-N 2.92Å; K93-W108 HydrophobicContact CB-CH2 4.12Å; K93-L111 PolarHBondContact O-N 2.84Å; K93-D112 WeakPolarHBondContact CD-OD2 3.32Å; K93-D112 IonicContact NZ-OD2 3.93Å; K93-D112 PolarHBondContact NZ-OD2 2.81Å
94G93.4Very high94.9Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans168.3-179.7-16600000114.8S91 H109S91-G94 PolarHBondContact N-O 2.82Å; S91-G94 PolarHBondContact OG-N 3.1Å; S91-G94 VanDerWaalsContact OG-N 3.12Å; S91-G94 PolarHBondContact OG-O 2.95Å; G94-H109 CarbonylContact C-O 3.54Å; G94-H109 WeakPolarHBondContact CA-O 3.37Å
95I96.6Very high95Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-116.3122.5178.2-54.8165.8000107.1V88 L89 T90 M97 W108 H109 A124 V137 L145 F147V88-I95 HydrophobicContact CG1-CG2 3.89Å; L89-I95 CarbonylContact O-C 3.5Å; L89-I95 WeakPolarHBondContact O-CA 3.46Å; T90-I95 HydrophobicContact CG2-CG1 4.42Å; I95-M97 HydrophobicContact CG2-CE 4.15Å; I95-M97 HydrophobicContact CG2-CG 4.49Å; I95-W108 WeakPolarHBondContact O-CA 3.36Å; I95-H109 HydrophobicContact CB-CB 4.27Å; I95-H109 PolarHBondContact N-O 2.57Å; I95-H109 PolarHBondContact O-N 2.91Å; I95-A124 HydrophobicContact CD1-CB 4.18Å; I95-A124 HydrophobicContact CG1-CB 3.71Å; I95-V137 HydrophobicContact CD1-CB 3.79Å; I95-V137 HydrophobicContact CD1-CG1 3.53Å; I95-V137 HydrophobicContact CD1-CG2 4.22Å; I95-V137 HydrophobicContact CG1-CG1 3.97Å; I95-V137 HydrophobicContact CG2-CG2 4.23Å; I95-L145 HydrophobicContact CD1-CD1 3.84Å; I95-F147 HydrophobicContact CD1-CE2 3.77Å; I95-F147 HydrophobicContact CD1-CZ 3.83Å
96Q96.3Very high95Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-109.7131.7174.6-60.2161.638.400108.4S61 K62 V88 L89 Y98 M105 W108S61-Q96 PolarHBondContact OG-NE2 2.93Å; K62-Q96 PolarHBondContact O-NE2 2.74Å; V88-Q96 WeakPolarHBondContact CA-O 3.46Å; L89-Q96 HydrophobicContact CB-CB 4.31Å; L89-Q96 PolarHBondContact N-O 3.12Å; L89-Q96 PolarHBondContact O-N 3.37Å; Q96-Y98 HydrophobicContact CB-CD2 4.13Å; Q96-Y98 HydrophobicContact CB-CE2 3.43Å; Q96-Y98 VanDerWaalsContact CB-CE2 3.43Å; Q96-Y98 HydrophobicContact CG-CE2 4.33Å; Q96-Y98 PolarHBondContact OE1-OH 3.44Å; Q96-M105 HydrophobicContact CB-SD 4.12Å; Q96-M105 HydrophobicContact CG-SD 3.97Å; Q96-W108 HydrophobicContact CB-CE3 4.33Å; Q96-W108 HydrophobicContact CG-CD2 4.49Å; Q96-W108 HydrophobicContact CG-CE3 3.26Å; Q96-W108 HydrophobicContact CG-CZ3 3.4Å; Q96-W108 VanDerWaalsContact CG-CZ3 3.4Å
97M97.4Very high94.9Very high0 Ų029.4 Ų29.40%015%0.152CC..EExtended strand (participates in β ladder)trans-115.7131.1172.4-52.6-175.1-178.700109.2I86 L87 V88 I95 M105 V106 Y107 I135 F147 I156I86-M97 HydrophobicContact CG2-CB 3.81Å; I86-M97 HydrophobicContact CG2-CG 4.41Å; L87-M97 WeakPolarHBondContact O-CA 3.49Å; V88-M97 HydrophobicContact CG1-CG 4.5Å; V88-M97 HydrophobicContact CG2-CG 4.28Å; I95-M97 HydrophobicContact CG2-CE 4.15Å; I95-M97 HydrophobicContact CG2-CG 4.49Å; M97-M105 CarbonylContact O-C 3.55Å; M97-M105 WeakPolarHBondContact O-CA 3.35Å; M97-V106 HydrophobicContact CB-CG2 4.16Å; M97-V106 WeakPolarHBondContact O-CG2 3.31Å; M97-V106 PolarHBondContact O-N 3.33Å; M97-Y107 HydrophobicContact CE-CD1 4.18Å; M97-Y107 HydrophobicContact CG-CD1 4.23Å; M97-Y107 PolarHBondContact N-O 3.2Å; M97-Y107 PolarHBondContact O-N 3.42Å; M97-Y107 HydrophobicContact SD-CD1 4.01Å; M97-I135 HydrophobicContact CE-CB 4.41Å; M97-I135 HydrophobicContact CE-CG2 4.04Å; M97-I135 HydrophobicContact SD-CD1 4.31Å; M97-F147 HydrophobicContact CE-CB 3.93Å; M97-F147 HydrophobicContact CE-CD1 4.21Å; M97-F147 HydrophobicContact CE-CD2 3.49Å; M97-F147 VanDerWaalsContact CE-CD2 3.49Å; M97-F147 HydrophobicContact CE-CE2 4.03Å; M97-F147 HydrophobicContact CE-CG 3.6Å; M97-I156 HydrophobicContact CB-CD1 4.29Å; M97-I156 HydrophobicContact CE-CG2 4.49Å; M97-I156 HydrophobicContact SD-CD1 3.67Å; M97-I156 HydrophobicContact SD-CG2 4.01Å
98Y96.5Very high94.6Very high1 Ų132.3 Ų32.30%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-120.5158.1-178.9-66.9-100.2000110.4L59 L87 L89 Q96 I104 M105L59-Y98 HydrophobicContact CD1-CD1 4.43Å; L59-Y98 HydrophobicContact CD1-CE1 3.8Å; L59-Y98 HydrophobicContact CD2-CD1 4.12Å; L59-Y98 HydrophobicContact CD2-CD2 3.93Å; L59-Y98 HydrophobicContact CD2-CE1 4.05Å; L59-Y98 HydrophobicContact CD2-CE2 3.83Å; L59-Y98 HydrophobicContact CD2-CG 4.08Å; L59-Y98 HydrophobicContact CG-CE1 4.46Å; L87-Y98 PolarHBondContact N-O 3.25Å; L87-Y98 PolarHBondContact O-N 3.12Å; L89-Y98 HydrophobicContact CD1-CD2 4.39Å; L89-Y98 HydrophobicContact CD1-CE2 3.85Å; L89-Y98 HydrophobicContact CG-CD2 4.28Å; L89-Y98 HydrophobicContact CG-CE2 4.12Å; Q96-Y98 HydrophobicContact CB-CD2 4.13Å; Q96-Y98 HydrophobicContact CB-CE2 3.43Å; Q96-Y98 VanDerWaalsContact CB-CE2 3.43Å; Q96-Y98 HydrophobicContact CG-CE2 4.33Å; Q96-Y98 PolarHBondContact OE1-OH 3.44Å; Y98-I104 CarbonylContact C-O 3.59Å; Y98-I104 WeakPolarHBondContact CA-O 3.33Å; Y98-I104 WeakPolarHBondContact CB-O 3.15Å; Y98-M105 HydrophobicContact CD1-CB 3.81Å; Y98-M105 HydrophobicContact CD1-CG 4.4Å; Y98-M105 HydrophobicContact CE1-CB 3.51Å; Y98-M105 HydrophobicContact CE1-CG 4.04Å; Y98-M105 HydrophobicContact CE2-CG 4.31Å; Y98-M105 HydrophobicContact CG-CB 4.47Å
99E94.4Very high94.4Very high65 Ų6534.2 Ų34.230%0.30417%0.171SC..EExtended strand (participates in β ladder)trans-51.6152156.5-65.3-62.9159.100110D101 G102 I104 V106E99-D101 PolarHBondContact O-N 2.92Å; E99-G102 PolarHBondContact O-N 3.32Å; E99-I104 HydrophobicContact CG-CB 4.1Å; E99-I104 PolarHBondContact N-O 2.97Å; E99-V106 HydrophobicContact CG-CG1 4.01Å; E99-V106 WeakPolarHBondContact OE1-CG1 3.25Å
100S93.9Very high94.2Very high38 Ų3836.5 Ų36.527%0.26619%0.191SC..THydrogen-bonded Turntrans-57.4-26.5-169.860.30000115.3W78 D85 G102W78-S100 PolarHBondContact NE1-O 3.11Å; D85-S100 WeakPolarHBondContact O-CB 3.23Å; S100-G102 VanDerWaalsContact C-N 3.31Å
101D92.5Very high93.8Very high68 Ų6837.6 Ų37.636%0.36420%0.196SC..THydrogen-bonded Turntrans-85.10.1177.574.2-10.2000114R57 E99 S103R57-D101 PolarHBondContact NH1-O 2.92Å; E99-D101 PolarHBondContact O-N 2.92Å; D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 VanDerWaalsContact CG-OG 3.32Å; D101-S103 PolarHBondContact O-N 2.91Å; D101-S103 WeakPolarHBondContact OD1-CB 3.08Å; D101-S103 PolarHBondContact OD1-N 2.84Å; D101-S103 PolarHBondContact OD1-OG 3Å; D101-S103 WeakPolarHBondContact OD2-CB 3.39Å; D101-S103 PolarHBondContact OD2-OG 3Å
102G92.8Very high92.7Very high1 Ų140.8 Ų40.81%0.0121%0.213CC..SBendtrans7115.3-178.200000114.2R57 E99 S100R57-G102 PolarHBondContact NH2-O 2.83Å; E99-G102 PolarHBondContact O-N 3.32Å; S100-G102 VanDerWaalsContact C-N 3.31Å
103S92.1Very high91.3Very high51 Ų5140.8 Ų40.836%0.35722%0.219SC..  trans-75.1-46.2-175.862.20000114D101D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 VanDerWaalsContact CG-OG 3.32Å; D101-S103 PolarHBondContact O-N 2.91Å; D101-S103 WeakPolarHBondContact OD1-CB 3.08Å; D101-S103 PolarHBondContact OD1-N 2.84Å; D101-S103 PolarHBondContact OD1-OG 3Å; D101-S103 WeakPolarHBondContact OD2-CB 3.39Å; D101-S103 PolarHBondContact OD2-OG 3Å
104I92.5Very high89.7Confident105 Ų10544 Ų4454%0.53825%0.247SC..  trans-125.4125.8-171.5-63.2165.8000108.2Y98 E99 V106Y98-I104 CarbonylContact C-O 3.59Å; Y98-I104 WeakPolarHBondContact CA-O 3.33Å; Y98-I104 WeakPolarHBondContact CB-O 3.15Å; E99-I104 HydrophobicContact CG-CB 4.1Å; E99-I104 PolarHBondContact N-O 2.97Å; I104-V106 HydrophobicContact CG2-CG1 4.27Å; I104-V106 PolarHBondContact O-N 2.86Å
105M93.9Very high87.9Confident74 Ų7452.5 Ų52.537%0.36529%0.287SS..EExtended strand (participates in β ladder)trans-77.1118.9168.5-168.4170.76900108Q96 M97 Y98 W108Q96-M105 HydrophobicContact CB-SD 4.12Å; Q96-M105 HydrophobicContact CG-SD 3.97Å; M97-M105 CarbonylContact O-C 3.55Å; M97-M105 WeakPolarHBondContact O-CA 3.35Å; Y98-M105 HydrophobicContact CD1-CB 3.81Å; Y98-M105 HydrophobicContact CD1-CG 4.4Å; Y98-M105 HydrophobicContact CE1-CB 3.51Å; Y98-M105 HydrophobicContact CE1-CG 4.04Å; Y98-M105 HydrophobicContact CE2-CG 4.31Å; Y98-M105 HydrophobicContact CG-CB 4.47Å; M105-W108 HydrophobicContact CE-CB 4.28Å; M105-W108 HydrophobicContact SD-CB 4.45Å
106V94.9Very high86.2Confident18 Ų1855 Ų5511%0.10930%0.302CS..EExtended strand (participates in β ladder)trans-99-19.6-178-65.50000112.6I86 M97 E99 I104 S154 I156I86-V106 HydrophobicContact CD1-CG2 4.32Å; M97-V106 HydrophobicContact CB-CG2 4.16Å; M97-V106 WeakPolarHBondContact O-CG2 3.31Å; M97-V106 PolarHBondContact O-N 3.33Å; E99-V106 HydrophobicContact CG-CG1 4.01Å; E99-V106 WeakPolarHBondContact OE1-CG1 3.25Å; I104-V106 HydrophobicContact CG2-CG1 4.27Å; I104-V106 PolarHBondContact O-N 2.86Å; V106-S154 WeakPolarHBondContact O-CB 3.47Å; V106-I156 HydrophobicContact CG2-CD1 3.94Å
107Y95.3Very high84.3Confident43 Ų4362 Ų6217%0.16934%0.335CS..EExtended strand (participates in β ladder)trans-154.9149.4178.8-174.4-105000111.9M97 H109 F147 I156M97-Y107 HydrophobicContact CE-CD1 4.18Å; M97-Y107 HydrophobicContact CG-CD1 4.23Å; M97-Y107 PolarHBondContact N-O 3.2Å; M97-Y107 PolarHBondContact O-N 3.42Å; M97-Y107 HydrophobicContact SD-CD1 4.01Å; Y107-H109 HydrophobicContact CE1-CB 3.76Å; Y107-F147 AromaticContact CE1-CD1 3.68Å; Y107-F147 HydrophobicContact CE1-CD1 3.68Å; Y107-F147 AromaticContact CE1-CE1 3.52Å; Y107-F147 HydrophobicContact CE1-CE1 3.52Å; Y107-F147 HydrophobicContact CE1-CZ 4.35Å; Y107-F147 AromaticContact CZ-CE1 3.94Å; Y107-I156 HydrophobicContact CD1-CB 4.38Å; Y107-I156 HydrophobicContact CD1-CG2 3.97Å; Y107-I156 HydrophobicContact CD2-CB 3.7Å; Y107-I156 HydrophobicContact CD2-CG2 4.04Å; Y107-I156 WeakPolarHBondContact CD2-O 3.47Å; Y107-I156 HydrophobicContact CE1-CG2 4.17Å; Y107-I156 HydrophobicContact CE2-CB 4.23Å; Y107-I156 HydrophobicContact CE2-CG2 4.27Å; Y107-I156 WeakPolarHBondContact CE2-O 3.09Å; Y107-I156 HydrophobicContact CG-CB 3.79Å; Y107-I156 HydrophobicContact CG-CD1 4.29Å; Y107-I156 HydrophobicContact CG-CG2 3.89Å
108W93.9Very high82.4Confident60 Ų6069.5 Ų69.523%0.22738%0.381CS..EExtended strand (participates in β ladder)trans-140132.1174.2165.6-105.3000109.6K93 I95 Q96 M105 A110K93-W108 HydrophobicContact CB-CH2 4.12Å; I95-W108 WeakPolarHBondContact O-CA 3.36Å; Q96-W108 HydrophobicContact CB-CE3 4.33Å; Q96-W108 HydrophobicContact CG-CD2 4.49Å; Q96-W108 HydrophobicContact CG-CE3 3.26Å; Q96-W108 HydrophobicContact CG-CZ3 3.4Å; Q96-W108 VanDerWaalsContact CG-CZ3 3.4Å; M105-W108 HydrophobicContact CE-CB 4.28Å; M105-W108 HydrophobicContact SD-CB 4.45Å; W108-A110 HydrophobicContact CZ2-CB 4.28Å
109H94.1Very high80.6Confident41 Ų4174 Ų7419%0.1942%0.419CS..EExtended strand (participates in β ladder)trans-125.1119.4172.8-170.192.5000109G94 I95 Y107 F147G94-H109 CarbonylContact C-O 3.54Å; G94-H109 WeakPolarHBondContact CA-O 3.37Å; I95-H109 HydrophobicContact CB-CB 4.27Å; I95-H109 PolarHBondContact N-O 2.57Å; I95-H109 PolarHBondContact O-N 2.91Å; Y107-H109 HydrophobicContact CE1-CB 3.76Å; H109-F147 HydrophobicContact CB-CE1 4.23Å; H109-F147 HydrophobicContact CB-CZ 4.17Å; H109-F147 AromaticContact CG-CZ 3.99Å; H109-F147 AromaticContact ND1-CE1 3.82Å
110A92.4Very high79.2Confident50 Ų5077.6 Ų77.641%0.41344%0.435SS..EExtended strand (participates in β ladder)trans-82140.8175.900000110.3W108W108-A110 HydrophobicContact CZ2-CB 4.28Å
111L89.3Confident78.3Confident23 Ų2379.3 Ų79.312%0.1245%0.452CS..  trans-91.9-31.6174.3-64.7170.9000112.5K93 T113 V122 F123 A124 I139 L145K93-L111 PolarHBondContact O-N 2.84Å; L111-T113 PolarHBondContact O-N 3.3Å; L111-T113 VanDerWaalsContact O-N 3.16Å; L111-V122 HydrophobicContact CB-CG1 3.53Å; L111-V122 HydrophobicContact CD1-CG1 4.13Å; L111-V122 HydrophobicContact CG-CG1 4.44Å; L111-F123 VanDerWaalsContact CD1-C 3.41Å; L111-A124 HydrophobicContact CD1-CB 3.76Å; L111-A124 VanDerWaalsContact CD1-N 3.27Å; L111-I139 HydrophobicContact CD2-CG2 3.66Å; L111-L145 HydrophobicContact CD2-CD1 4.34Å
112D73.8Confident78.1Confident68 Ų6877.6 Ų77.636%0.36444%0.444SS..  trans-74.1106.5-179.4-69.2-14.2000109.8K93K93-D112 WeakPolarHBondContact CD-OD2 3.32Å; K93-D112 IonicContact NZ-OD2 3.93Å; K93-D112 PolarHBondContact NZ-OD2 2.81Å
113T62Low78.2Confident77 Ų7779.1 Ų79.147%0.47245%0.45SS..  trans-96.9152.6163.3630000109.8L111 E115 T116L111-T113 PolarHBondContact O-N 3.3Å; L111-T113 VanDerWaalsContact O-N 3.16Å; T113-E115 PolarHBondContact O-N 3.05Å; T113-T116 PolarHBondContact N-OG1 3.1Å; T113-T116 WeakPolarHBondContact O-CB 3.45Å; T113-T116 PolarHBondContact O-N 3.37Å; T113-T116 PolarHBondContact O-OG1 2.76Å; T113-T116 PolarHBondContact OG1-OG1 3.27Å
114P55.5Low78.4Confident142 Ų14276.7 Ų76.792%0.92243%0.433SS*.THydrogen-bonded Turntrans-55.6-15.6178.5-2432.8000114.9
115E55Low78.7Confident178 Ų17872.8 Ų72.883%0.83241%0.411SS*.THydrogen-bonded Turntrans-90.4-8.6-177.8-64.9168.5-175.300113T113 Q117T113-E115 PolarHBondContact O-N 3.05Å; E115-Q117 PolarHBondContact O-N 3.38Å
116T60.9Low78.9Confident52 Ų5269.2 Ų69.232%0.31939%0.394SS..SBendtrans-71.1121-176.8-37.70000110.2T113 T118 V122T113-T116 PolarHBondContact N-OG1 3.1Å; T113-T116 WeakPolarHBondContact O-CB 3.45Å; T113-T116 PolarHBondContact O-N 3.37Å; T113-T116 PolarHBondContact O-OG1 2.76Å; T113-T116 PolarHBondContact OG1-OG1 3.27Å; T116-T118 PolarHBondContact O-N 3.38Å; T116-V122 HydrophobicContact CG2-CG2 3.61Å
117Q57.7Low79.1Confident147 Ų14769 Ų6969%0.68739%0.392SS*.  trans-61.9127.3177.6-69.9-179.81800110E115 A119 Q120E115-Q117 PolarHBondContact O-N 3.38Å; Q117-A119 PolarHBondContact O-N 3.43Å; Q117-Q120 PolarHBondContact O-N 3.23Å
118T57.4Low79.2Confident157 Ų15767.2 Ų67.296%0.96339%0.386SS*.THydrogen-bonded Turntrans-60.2-5.9-174.121.40000115.7T116T116-T118 PolarHBondContact O-N 3.38Å
119A57.5Low79.4Confident97 Ų9765.6 Ų65.680%0.80239%0.385SS*.THydrogen-bonded Turntrans-98.4-14.4-175.800000114.8Q117Q117-A119 PolarHBondContact O-N 3.43Å
120Q66.5Low79.4Confident139 Ų13963.7 Ų63.765%0.6538%0.377SS*.SBendtrans-96136.1-179.8-74.9-177.1-2100111.3Q117 V122Q117-Q120 PolarHBondContact O-N 3.23Å; Q120-V122 PolarHBondContact O-N 3.19Å
121A73.6Confident79.2Confident74 Ų7466.8 Ų66.861%0.61238%0.378SS*.PPolyproline II helixtrans-67.7119.9172.800000109.5S140A121-S140 WeakPolarHBondContact O-CB 3.29Å; A121-S140 PolarHBondContact O-OG 3.25Å
122V89.9Confident79.1Confident32 Ų3271 Ų7119%0.19440%0.397CS..PPolyproline II helixtrans-100124.6177.4-175.50000108.5Q92 L111 T116 Q120 S140Q92-V122 CarbonylContact C-O 3.59Å; Q92-V122 VanDerWaalsContact CA-O 3.28Å; Q92-V122 WeakPolarHBondContact CA-O 2.97Å; L111-V122 HydrophobicContact CB-CG1 3.53Å; L111-V122 HydrophobicContact CD1-CG1 4.13Å; L111-V122 HydrophobicContact CG-CG1 4.44Å; T116-V122 HydrophobicContact CG2-CG2 3.61Å; Q120-V122 PolarHBondContact O-N 3.19Å; V122-S140 WeakPolarHBondContact CA-OG 3.46Å
123F94.3Very high80.1Confident34 Ų3471.5 Ų71.515%0.14940%0.396CS..  trans-158.1158.8170.162.5-95000112.1M74 S91 Q92 L111 R125 I139 S140M74-F123 HydrophobicContact CE-CD2 4.24Å; M74-F123 HydrophobicContact CE-CG 4.21Å; M74-F123 HydrophobicContact CG-CB 3.88Å; M74-F123 HydrophobicContact CG-CD2 4.35Å; M74-F123 HydrophobicContact CG-CG 4.35Å; M74-F123 HydrophobicContact SD-CB 4.48Å; S91-F123 WeakPolarHBondContact O-CA 3.21Å; Q92-F123 HydrophobicContact CG-CB 4.33Å; L111-F123 VanDerWaalsContact CD1-C 3.41Å; F123-R125 HydrophobicContact CD2-CB 4.12Å; F123-R125 HydrophobicContact CE2-CB 4.17Å; F123-I139 CarbonylContact O-C 3.53Å; F123-I139 WeakPolarHBondContact O-CA 3.48Å; F123-S140 VanDerWaalsContact CE1-CB 3.43Å; F123-S140 PolarHBondContact N-OG 2.83Å; F123-S140 VanDerWaalsContact N-OG 3.12Å; F123-S140 PolarHBondContact O-N 2.66Å
124A97.3Very high81.8Confident0 Ų068.5 Ų68.50%038%0.376CS..EExtended strand (participates in β ladder)trans-102.9144.4165.700000109.8M74 T90 S91 I95 L111 V137 G138 I139M74-A124 VanDerWaalsContact CB-O 3.22Å; M74-A124 WeakPolarHBondContact CB-O 3.42Å; T90-A124 VanDerWaalsContact CB-O 3.23Å; T90-A124 WeakPolarHBondContact CB-O 3.29Å; T90-A124 HydrophobicContact CG2-CB 3.9Å; T90-A124 PolarHBondContact OG1-O 2.94Å; S91-A124 PolarHBondContact O-N 3.43Å; I95-A124 HydrophobicContact CD1-CB 4.18Å; I95-A124 HydrophobicContact CG1-CB 3.71Å; L111-A124 HydrophobicContact CD1-CB 3.76Å; L111-A124 VanDerWaalsContact CD1-N 3.27Å; A124-V137 HydrophobicContact CB-CG1 3.86Å; A124-G138 CarbonylContact C-O 3.58Å; A124-G138 VanDerWaalsContact CA-O 3.25Å; A124-G138 WeakPolarHBondContact CA-O 3.41Å; A124-I139 HydrophobicContact CB-CG2 4.31Å
125R97.3Very high83.8Confident22 Ų2261.8 Ų61.88%0.08333%0.332CS..EExtended strand (participates in β ladder)trans-163.6159.2173.3174172.7-82.6172-3.4109.3M74 F123 G138 T170M74-R125 HydrophobicContact CB-CB 4.32Å; M74-R125 PolarHBondContact O-NE 3.35Å; M74-R125 PolarHBondContact O-NH2 3.01Å; F123-R125 HydrophobicContact CD2-CB 4.12Å; F123-R125 HydrophobicContact CE2-CB 4.17Å; R125-G138 PolarHBondContact N-O 3.46Å; R125-G138 CarbonylContact O-C 3.2Å; R125-G138 WeakPolarHBondContact O-CA 3Å; R125-G138 PolarHBondContact O-N 3.07Å; R125-G138 VanDerWaalsContact O-N 3.1Å; R125-T170 WeakPolarHBondContact CD-O 3.31Å; R125-T170 WeakPolarHBondContact CG-O 3.22Å
126G98.2Very high85.9Confident0 Ų053.3 Ų53.30%029%0.292CS..EExtended strand (participates in β ladder)trans81.1120.3-174.200000107.5Q75 V137 G138 L172Q75-G126 VanDerWaalsContact OE1-CA 3.22Å; G126-V137 VanDerWaalsContact O-CA 3.29Å; G126-V137 WeakPolarHBondContact O-CA 3.27Å; G126-G138 PolarHBondContact O-N 2.9Å; G126-G138 VanDerWaalsContact O-N 3.12Å; G126-L172 VanDerWaalsContact C-CD1 3.44Å; G126-L172 VanDerWaalsContact CA-CD1 3.46Å
127I98.8Very high87.7Confident14 Ų1450.8 Ų50.87%0.07228%0.277CS..EExtended strand (participates in β ladder)trans-138126.2-173.7-57.3168.7000107.2Q75 A77 C79 V88 T90 C136Q75-I127 HydrophobicContact CB-CD1 4.08Å; Q75-I127 HydrophobicContact CG-CD1 3.99Å; A77-I127 HydrophobicContact CB-CB 4.18Å; A77-I127 HydrophobicContact CB-CD1 3.93Å; A77-I127 HydrophobicContact CB-CG2 4.22Å; C79-I127 WeakPolarHBondContact SG-CG2 3.45Å; V88-I127 HydrophobicContact CB-CD1 4.15Å; V88-I127 HydrophobicContact CB-CG2 3.99Å; V88-I127 HydrophobicContact CG1-CD1 3.98Å; V88-I127 HydrophobicContact CG1-CG1 4.35Å; V88-I127 HydrophobicContact CG1-CG2 4.14Å; V88-I127 HydrophobicContact CG2-CG2 4.29Å; T90-I127 HydrophobicContact CG2-CD1 3.71Å; T90-I127 HydrophobicContact CG2-CG1 3.75Å; I127-C136 WeakPolarHBondContact CA-O 3.05Å
128A98.3Very high89.7Confident5 Ų543.8 Ų43.84%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-139.2133.9176.600000111.4V130 I135 C136 L172A128-V130 HydrophobicContact CB-CG2 4.18Å; A128-I135 WeakPolarHBondContact O-CA 3.37Å; A128-C136 PolarHBondContact N-O 2.57Å; A128-C136 PolarHBondContact O-N 2.89Å; A128-L172 HydrophobicContact CB-CB 3.74Å; A128-L172 HydrophobicContact CB-CD2 4.45Å
129A97.3Very high91.6Very high25 Ų2537.5 Ų37.521%0.20721%0.205CC..EExtended strand (participates in β ladder)trans-89.5117.7168.400000108.7C79 L81 Y134 S174C79-A129 HydrophobicContact CB-CB 3.74Å; L81-A129 HydrophobicContact CD2-CB 3.94Å; A129-Y134 CarbonylContact C-O 3.57Å; A129-Y134 WeakPolarHBondContact CA-O 3.25Å; A129-S174 VanDerWaalsContact O-CB 3.29Å; A129-S174 WeakPolarHBondContact O-CB 3.45Å; A129-S174 PolarHBondContact O-OG 2.97Å
130V95.3Very high93.4Very high1 Ų133.9 Ų33.91%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-120.2132.1-170.7-173.60000109.7A128 Y134 C136 S174 M186 S200 F204A128-V130 HydrophobicContact CB-CG2 4.18Å; V130-Y134 PolarHBondContact N-O 3.19Å; V130-Y134 WeakPolarHBondContact O-CB 3.31Å; V130-Y134 PolarHBondContact O-N 2.81Å; V130-C136 HydrophobicContact CG2-CB 4.47Å; V130-S174 WeakPolarHBondContact CG2-OG 3.23Å; V130-M186 HydrophobicContact CG1-CB 4.39Å; V130-M186 HydrophobicContact CG2-CB 4.14Å; V130-M186 HydrophobicContact CG2-CG 4.1Å; V130-M186 HydrophobicContact CG2-SD 3.68Å; V130-S200 VanDerWaalsContact CG1-OG 3.3Å; V130-S200 WeakPolarHBondContact CG1-OG 3.16Å; V130-F204 HydrophobicContact CB-CZ 4.27Å; V130-F204 HydrophobicContact CG1-CE1 4.07Å; V130-F204 HydrophobicContact CG1-CZ 4.03Å
131R88.2Confident94.7Very high116 Ų11630.4 Ų30.444%0.43816%0.164SC..THydrogen-bonded Turntrans52.5-142.6-174.5-64.7174164.4-147.4-14.6111.6D185 S200 G201R131-D185 IonicContact NE-OD2 3.41Å; R131-S200 WeakPolarHBondContact CD-OG 3.39Å; R131-S200 WeakPolarHBondContact CG-OG 3.23Å; R131-S200 VanDerWaalsContact NE-C 3.3Å; R131-S200 PolarHBondContact NE-O 3.49Å; R131-S200 PolarHBondContact NE-OG 3.21Å; R131-S200 VanDerWaalsContact NH2-C 3.31Å; R131-S200 PolarHBondContact NH2-O 2.94Å; R131-G201 VanDerWaalsContact CZ-CA 3.45Å; R131-G201 VanDerWaalsContact CZ-N 3.33Å; R131-G201 VanDerWaalsContact NH1-C 3.32Å; R131-G201 PolarHBondContact NH1-O 3.44Å; R131-G201 VanDerWaalsContact NH1-O 3.08Å
132E87.5Confident95.8Very high112 Ų11226.9 Ų26.952%0.52314%0.136SC..THydrogen-bonded Turntrans-84.5-22-173.5-59.9-62.8131.700113.5P82P82-E132 WeakPolarHBondContact CB-OE2 3.48Å; P82-E132 WeakPolarHBondContact CG-OE2 3.46Å
133K94.3Very high96.1Very high78 Ų7826 Ų2634%0.33913%0.13SC..THydrogen-bonded Turntrans-148.9-5.6-163.368173.4-174.2155.90116.8D148 V149K133-D148 WeakPolarHBondContact CE-OD2 3.17Å; K133-D148 IonicContact NZ-OD2 2.72Å; K133-D148 PolarHBondContact NZ-OD2 3.28Å; K133-V149 WeakPolarHBondContact O-CA 3.42Å; K133-V149 WeakPolarHBondContact O-CB 3.35Å; K133-V149 WeakPolarHBondContact O-CG2 3.15Å; K133-V149 PolarHBondContact O-N 2.77Å
134Y97.1Very high96.3Very high14 Ų1424.4 Ų24.46%0.05512%0.123CC..EExtended strand (participates in β ladder)trans-98.3137.4-175-63.4-67.7000111.4A129 V130 V146 F147 D148 F204A129-Y134 CarbonylContact C-O 3.57Å; A129-Y134 WeakPolarHBondContact CA-O 3.25Å; V130-Y134 PolarHBondContact N-O 3.19Å; V130-Y134 WeakPolarHBondContact O-CB 3.31Å; V130-Y134 PolarHBondContact O-N 2.81Å; Y134-V146 HydrophobicContact CD1-CG1 3.73Å; Y134-V146 HydrophobicContact CE1-CG1 4.36Å; Y134-V146 HydrophobicContact CG-CG1 4.18Å; Y134-F147 WeakPolarHBondContact CA-O 3.28Å; Y134-D148 HydrophobicContact CD1-CB 4.46Å; Y134-D148 HydrophobicContact CE1-CB 4.21Å; Y134-F204 HydrophobicContact CD1-CE2 4.47Å; Y134-F204 HydrophobicContact CD2-CE2 4.03Å; Y134-F204 HydrophobicContact CD2-CZ 4.3Å; Y134-F204 HydrophobicContact CE2-CE2 4.4Å; Y134-F204 HydrophobicContact CG-CE2 4.07Å; Y134-F204 HydrophobicContact CG-CZ 4.29Å
135I98.4Very high96.3Very high0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-113.9121.8163.6-68.4177.6000107.1C79 L81 I86 V88 M97 A128 V137 F147 V149C79-I135 HydrophobicContact CB-CD1 3.57Å; C79-I135 HydrophobicContact CB-CG1 3.82Å; L81-I135 HydrophobicContact CD1-CD1 4.45Å; L81-I135 HydrophobicContact CD1-CG1 4.34Å; I86-I135 HydrophobicContact CB-CD1 3.99Å; I86-I135 HydrophobicContact CG2-CD1 3.9Å; V88-I135 HydrophobicContact CG2-CD1 3.96Å; V88-I135 HydrophobicContact CG2-CG2 4.07Å; M97-I135 HydrophobicContact CE-CB 4.41Å; M97-I135 HydrophobicContact CE-CG2 4.04Å; M97-I135 HydrophobicContact SD-CD1 4.31Å; A128-I135 WeakPolarHBondContact O-CA 3.37Å; I135-V137 HydrophobicContact CG2-CG2 4.09Å; I135-F147 PolarHBondContact N-O 2.54Å; I135-F147 WeakPolarHBondContact O-CD2 3.21Å; I135-F147 PolarHBondContact O-N 2.81Å; I135-V149 HydrophobicContact CB-CG2 4.2Å; I135-V149 HydrophobicContact CD1-CG2 3.73Å; I135-V149 HydrophobicContact CG1-CG2 3.76Å
136C98.8Very high96.4Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-104.3135.6177.5-58.50000109.5I127 A128 V130 L145 L172 M186 F204I127-C136 WeakPolarHBondContact CA-O 3.05Å; A128-C136 PolarHBondContact N-O 2.57Å; A128-C136 PolarHBondContact O-N 2.89Å; V130-C136 HydrophobicContact CG2-CB 4.47Å; C136-L145 CarbonylContact C-O 3.6Å; C136-L145 WeakPolarHBondContact CA-O 3.4Å; C136-L172 HydrophobicContact CB-CD2 3.76Å; C136-M186 HydrophobicContact CB-SD 3.76Å; C136-M186 VanDerWaalsContact SG-SD 3.69Å; C136-F204 VanDerWaalsContact SG-CZ 3.59Å
137V98.8Very high96.4Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-133.6128.2179.4-178.70000110.4V88 T90 I95 A124 G126 I135 M144 L145 F147V88-V137 HydrophobicContact CG1-CG2 4.37Å; T90-V137 HydrophobicContact CG2-CG1 3.54Å; I95-V137 HydrophobicContact CD1-CB 3.79Å; I95-V137 HydrophobicContact CD1-CG1 3.53Å; I95-V137 HydrophobicContact CD1-CG2 4.22Å; I95-V137 HydrophobicContact CG1-CG1 3.97Å; I95-V137 HydrophobicContact CG2-CG2 4.23Å; A124-V137 HydrophobicContact CB-CG1 3.86Å; G126-V137 VanDerWaalsContact O-CA 3.29Å; G126-V137 WeakPolarHBondContact O-CA 3.27Å; I135-V137 HydrophobicContact CG2-CG2 4.09Å; V137-M144 CarbonylContact O-C 3.58Å; V137-M144 WeakPolarHBondContact O-CA 3.44Å; V137-L145 PolarHBondContact N-O 3.27Å; V137-L145 PolarHBondContact O-N 3.2Å; V137-F147 HydrophobicContact CB-CE2 4.31Å; V137-F147 HydrophobicContact CG2-CD2 4.45Å; V137-F147 HydrophobicContact CG2-CE2 4.21Å
138G98.4Very high96.3Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-79.8155175.100000113A124 R125 G126A124-G138 CarbonylContact C-O 3.58Å; A124-G138 VanDerWaalsContact CA-O 3.25Å; A124-G138 WeakPolarHBondContact CA-O 3.41Å; R125-G138 PolarHBondContact N-O 3.46Å; R125-G138 CarbonylContact O-C 3.2Å; R125-G138 WeakPolarHBondContact O-CA 3Å; R125-G138 PolarHBondContact O-N 3.07Å; R125-G138 VanDerWaalsContact O-N 3.1Å; G126-G138 PolarHBondContact O-N 2.9Å; G126-G138 VanDerWaalsContact O-N 3.12Å
139I97.3Very high96.2Very high25 Ų2524.8 Ų24.813%0.12813%0.127CC..EExtended strand (participates in β ladder)trans-126.9162174.762165.1000112.2L111 F123 A124 S141 G142 S143 L145 I169L111-I139 HydrophobicContact CD2-CG2 3.66Å; F123-I139 CarbonylContact O-C 3.53Å; F123-I139 WeakPolarHBondContact O-CA 3.48Å; A124-I139 HydrophobicContact CB-CG2 4.31Å; I139-S141 WeakPolarHBondContact CD1-OG 3.14Å; I139-S141 VanDerWaalsContact CG1-OG 3.3Å; I139-S141 WeakPolarHBondContact CG1-OG 3.4Å; I139-S141 PolarHBondContact O-N 2.85Å; I139-G142 PolarHBondContact O-N 3.24Å; I139-S143 WeakPolarHBondContact CG1-O 3.49Å; I139-S143 PolarHBondContact N-O 3.24Å; I139-L145 HydrophobicContact CG2-CD1 4.04Å; I139-L145 HydrophobicContact CG2-CG 4.17Å; I139-I169 PolarHBondContact O-N 3.1Å
140S95.6Very high96.1Very high20 Ų2025.1 Ų25.114%0.1413%0.127CC..THydrogen-bonded Turntrans-66.7-16.1-175.662.60000114.4A121 V122 F123 G142 S168A121-S140 WeakPolarHBondContact O-CB 3.29Å; A121-S140 PolarHBondContact O-OG 3.25Å; V122-S140 WeakPolarHBondContact CA-OG 3.46Å; F123-S140 VanDerWaalsContact CE1-CB 3.43Å; F123-S140 PolarHBondContact N-OG 2.83Å; F123-S140 VanDerWaalsContact N-OG 3.12Å; F123-S140 PolarHBondContact O-N 2.66Å; S140-G142 VanDerWaalsContact C-N 3.26Å; S140-G142 PolarHBondContact O-N 2.89Å; S140-S168 WeakPolarHBondContact CA-OG 3.46Å; S140-S168 VanDerWaalsContact O-CA 3.28Å; S140-S168 WeakPolarHBondContact O-CA 3.18Å; S140-S168 WeakPolarHBondContact O-CB 3.14Å; S140-S168 PolarHBondContact O-OG 2.92Å
141S94.2Very high95.9Very high66 Ų6630.9 Ų30.946%0.46216%0.156SC..THydrogen-bonded Turntrans-77.4-9.2171.563.50000114I139 S143I139-S141 WeakPolarHBondContact CD1-OG 3.14Å; I139-S141 VanDerWaalsContact CG1-OG 3.3Å; I139-S141 WeakPolarHBondContact CG1-OG 3.4Å; I139-S141 PolarHBondContact O-N 2.85Å; S141-S143 PolarHBondContact OG-N 3.06Å; S141-S143 PolarHBondContact OG-OG 3.12Å
142G96Very high95.7Very high1 Ų133.9 Ų33.91%0.0117%0.173CC..SBendtrans92.9-7.9-171.900000114.3I139 S140 H165 E167I139-G142 PolarHBondContact O-N 3.24Å; S140-G142 VanDerWaalsContact C-N 3.26Å; S140-G142 PolarHBondContact O-N 2.89Å; G142-H165 WeakPolarHBondContact O-CB 3.23Å; G142-E167 WeakPolarHBondContact CA-O 3.35Å
143S97.1Very high95.5Very high12 Ų1230.8 Ų30.88%0.08417%0.171CC..  trans-73.2160.8173.3-34.10000111.1I139 S141 L162 E163I139-S143 WeakPolarHBondContact CG1-O 3.49Å; I139-S143 PolarHBondContact N-O 3.24Å; S141-S143 PolarHBondContact OG-N 3.06Å; S141-S143 PolarHBondContact OG-OG 3.12Å; S143-L162 CarbonylContact C-O 3.57Å; S143-L162 WeakPolarHBondContact CA-O 3.28Å; S143-E163 PolarHBondContact OG-OE1 2.93Å
144M97.9Very high95.3Very high1 Ų130.9 Ų30.91%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-124.9130.3170.3-67.3161.346.300109.8V137 V161 L162 I169 L172 M186 S188 W198V137-M144 CarbonylContact O-C 3.58Å; V137-M144 WeakPolarHBondContact O-CA 3.44Å; M144-V161 CarbonylContact O-C 3.55Å; M144-V161 WeakPolarHBondContact O-CA 3.31Å; M144-L162 HydrophobicContact CB-CB 4.19Å; M144-L162 HydrophobicContact CB-CD1 4.44Å; M144-L162 HydrophobicContact CE-CD1 3.97Å; M144-L162 PolarHBondContact N-O 3.21Å; M144-L162 PolarHBondContact O-N 3.11Å; M144-I169 HydrophobicContact CG-CD1 4.19Å; M144-I169 HydrophobicContact CG-CG1 4.14Å; M144-I169 HydrophobicContact SD-CD1 4.43Å; M144-L172 HydrophobicContact CE-CD2 3.43Å; M144-L172 VanDerWaalsContact CE-CD2 3.43Å; M144-L172 HydrophobicContact CE-CG 4.33Å; M144-L172 HydrophobicContact CG-CD2 4.41Å; M144-L172 HydrophobicContact SD-CD2 4.24Å; M144-M186 HydrophobicContact CE-CE 3.27Å; M144-M186 HydrophobicContact CE-SD 3.88Å; M144-S188 WeakPolarHBondContact SD-CB 3Å; M144-S188 PolarHBondContact SD-OG 2.89Å; M144-S188 VanDerWaalsContact SD-OG 3.36Å; M144-W198 HydrophobicContact CE-CZ2 4.4Å; M144-W198 HydrophobicContact SD-CZ2 4.05Å
145L98.6Very high95.1Very high11 Ų1136.2 Ų36.26%0.05821%0.21CC..EExtended strand (participates in β ladder)trans-94.8125.9178-56.4-177.5000109.4I95 L111 C136 V137 I139 F147 L158 V161I95-L145 HydrophobicContact CD1-CD1 3.84Å; L111-L145 HydrophobicContact CD2-CD1 4.34Å; C136-L145 CarbonylContact C-O 3.6Å; C136-L145 WeakPolarHBondContact CA-O 3.4Å; V137-L145 PolarHBondContact N-O 3.27Å; V137-L145 PolarHBondContact O-N 3.2Å; I139-L145 HydrophobicContact CG2-CD1 4.04Å; I139-L145 HydrophobicContact CG2-CG 4.17Å; L145-F147 HydrophobicContact CB-CD2 4.48Å; L145-F147 HydrophobicContact CB-CE2 3.62Å; L145-F147 HydrophobicContact CB-CZ 3.79Å; L145-F147 HydrophobicContact CD1-CE2 4.45Å; L145-F147 HydrophobicContact CD1-CZ 4.01Å; L145-L158 HydrophobicContact CB-CD1 3.79Å; L145-L158 HydrophobicContact CD2-CD1 4.11Å; L145-L158 HydrophobicContact CG-CD1 4.43Å; L145-V161 HydrophobicContact CD2-CB 4.45Å; L145-V161 HydrophobicContact CD2-CG1 4.05Å; L145-V161 HydrophobicContact CD2-CG2 3.77Å
146V98.6Very high95Very high0 Ų036.5 Ų36.50%021%0.212CC..EExtended strand (participates in β ladder)trans-106.6118.1178.4-177.70000109Y134 S159 E160 L162 F204Y134-V146 HydrophobicContact CD1-CG1 3.73Å; Y134-V146 HydrophobicContact CE1-CG1 4.36Å; Y134-V146 HydrophobicContact CG-CG1 4.18Å; V146-S159 PolarHBondContact O-N 2.87Å; V146-E160 HydrophobicContact CB-CB 3.99Å; V146-E160 HydrophobicContact CG2-CB 4.18Å; V146-E160 PolarHBondContact N-O 3.21Å; V146-E160 PolarHBondContact O-N 2.86Å; V146-L162 HydrophobicContact CG2-CD1 3.91Å; V146-L162 HydrophobicContact CG2-CG 4.06Å; V146-F204 HydrophobicContact CG1-CD2 4.07Å; V146-F204 HydrophobicContact CG1-CE2 3.48Å; V146-F204 VanDerWaalsContact CG1-CE2 3.48Å; V146-F204 HydrophobicContact CG1-CZ 3.97Å; V146-F204 HydrophobicContact CG2-CD2 4.24Å; V146-F204 HydrophobicContact CG2-CE2 4.25Å; V146-F204 HydrophobicContact CG2-CZ 4.5Å
147F98.3Very high94.9Very high0 Ų039.5 Ų39.50%023%0.23CC..EExtended strand (participates in β ladder)trans-104.7127.9179.2-60.3-82.8000110.9I95 M97 Y107 H109 Y134 I135 V137 L145 I156 T157 L158I95-F147 HydrophobicContact CD1-CE2 3.77Å; I95-F147 HydrophobicContact CD1-CZ 3.83Å; M97-F147 HydrophobicContact CE-CB 3.93Å; M97-F147 HydrophobicContact CE-CD1 4.21Å; M97-F147 HydrophobicContact CE-CD2 3.49Å; M97-F147 VanDerWaalsContact CE-CD2 3.49Å; M97-F147 HydrophobicContact CE-CE2 4.03Å; M97-F147 HydrophobicContact CE-CG 3.6Å; Y107-F147 AromaticContact CE1-CD1 3.68Å; Y107-F147 HydrophobicContact CE1-CD1 3.68Å; Y107-F147 AromaticContact CE1-CE1 3.52Å; Y107-F147 HydrophobicContact CE1-CE1 3.52Å; Y107-F147 HydrophobicContact CE1-CZ 4.35Å; Y107-F147 AromaticContact CZ-CE1 3.94Å; H109-F147 HydrophobicContact CB-CE1 4.23Å; H109-F147 HydrophobicContact CB-CZ 4.17Å; H109-F147 AromaticContact CG-CZ 3.99Å; H109-F147 AromaticContact ND1-CE1 3.82Å; Y134-F147 WeakPolarHBondContact CA-O 3.28Å; I135-F147 PolarHBondContact N-O 2.54Å; I135-F147 WeakPolarHBondContact O-CD2 3.21Å; I135-F147 PolarHBondContact O-N 2.81Å; V137-F147 HydrophobicContact CB-CE2 4.31Å; V137-F147 HydrophobicContact CG2-CD2 4.45Å; V137-F147 HydrophobicContact CG2-CE2 4.21Å; L145-F147 HydrophobicContact CB-CD2 4.48Å; L145-F147 HydrophobicContact CB-CE2 3.62Å; L145-F147 HydrophobicContact CB-CZ 3.79Å; L145-F147 HydrophobicContact CD1-CE2 4.45Å; L145-F147 HydrophobicContact CD1-CZ 4.01Å; F147-I156 HydrophobicContact CB-CG2 3.91Å; F147-I156 HydrophobicContact CD1-CG2 4.29Å; F147-I156 HydrophobicContact CG-CG2 4.44Å; F147-T157 CarbonylContact C-O 3.55Å; F147-T157 VanDerWaalsContact CA-O 3.32Å; F147-T157 WeakPolarHBondContact CA-O 3.49Å; F147-L158 HydrophobicContact CD1-CB 4.26Å; F147-L158 HydrophobicContact CD1-CD1 4.21Å; F147-L158 HydrophobicContact CE1-CB 4.13Å; F147-L158 HydrophobicContact CE1-CD1 3.85Å; F147-L158 HydrophobicContact CZ-CD1 4.11Å
148D96.6Very high94.9Very high37 Ų3742.7 Ų42.720%0.19825%0.247CC..EExtended strand (participates in β ladder)trans-80.4121.4167.7-168.7-35.2000108.9K133 Y134 I156 T157K133-D148 WeakPolarHBondContact CE-OD2 3.17Å; K133-D148 IonicContact NZ-OD2 2.72Å; K133-D148 PolarHBondContact NZ-OD2 3.28Å; Y134-D148 HydrophobicContact CD1-CB 4.46Å; Y134-D148 HydrophobicContact CE1-CB 4.21Å; D148-I156 WeakPolarHBondContact O-CA 3.39Å; D148-T157 PolarHBondContact N-O 2.92Å; D148-T157 PolarHBondContact O-N 2.96Å
149V96.6Very high94.8Very high2 Ų245.6 Ų45.61%0.01227%0.267CS..  trans-106.4115-177.7-174.70000109.5L81 I86 K133 I135 I156L81-V149 HydrophobicContact CD1-CB 3.75Å; L81-V149 HydrophobicContact CD1-CG1 3.77Å; L81-V149 HydrophobicContact CD1-CG2 4.11Å; I86-V149 HydrophobicContact CG1-CG1 4.43Å; K133-V149 WeakPolarHBondContact O-CA 3.42Å; K133-V149 WeakPolarHBondContact O-CB 3.35Å; K133-V149 WeakPolarHBondContact O-CG2 3.15Å; K133-V149 PolarHBondContact O-N 2.77Å; I135-V149 HydrophobicContact CB-CG2 4.2Å; I135-V149 HydrophobicContact CD1-CG2 3.73Å; I135-V149 HydrophobicContact CG1-CG2 3.76Å; V149-I156 HydrophobicContact CG1-CD1 4.48Å; V149-I156 HydrophobicContact CG1-CG1 4.28Å; V149-I156 HydrophobicContact CG2-CG1 4.48Å
150P94.2Very high94.8Very high31 Ų3146.6 Ų46.620%0.20127%0.271CS..  trans-69.8152.4178.431-36.4000110.8R84 K152 N155R84-P150 PolarHBondContact NE-O 3.25Å; P150-K152 PolarHBondContact O-N 2.84Å; P150-K152 VanDerWaalsContact O-N 3.1Å; P150-N155 WeakPolarHBondContact CD-O 3.42Å; P150-N155 HydrophobicContact CG-CB 4.49Å
151I90.6Very high94.9Very high122 Ų12248.7 Ų48.763%0.62628%0.283SS*.SBendtrans-52.1-36.9176.2-59175000111.2
152K85.9Confident95.1Very high180 Ų18046 Ų4678%0.78326%0.264SS*.SBendtrans-144.2156.8177.5-64-174.9-178.3178.20111.3P150P150-K152 PolarHBondContact O-N 2.84Å; P150-K152 VanDerWaalsContact O-N 3.1Å
153G83.4Confident95.1Very high47 Ų4752.9 Ų52.949%0.48530%0.295SS..SBendtrans86.9-174.217600000113.8R84R84-G153 PolarHBondContact NH1-O 3.32Å
154S88.8Confident95.1Very high79 Ų7955.9 Ų55.955%0.55231%0.308SS*.SBendtrans-105.59.5-173.755.10000113.8V106 I156V106-S154 WeakPolarHBondContact O-CB 3.47Å; S154-I156 PolarHBondContact O-N 3.39Å
155N93.3Very high95.1Very high126 Ų12656.3 Ų56.367%0.67431%0.31SS*.  trans-8154.6-177.4-165.438.2000112.1P150P150-N155 WeakPolarHBondContact CD-O 3.42Å; P150-N155 HydrophobicContact CG-CB 4.49Å
156I96.5Very high94.9Very high6 Ų664.5 Ų64.53%0.03135%0.346CS..  trans-74.9134.4171.3-65.1165.9000107.9R84 M97 V106 Y107 F147 D148 V149 S154R84-I156 VanDerWaalsContact NH2-CD1 3.34Å; M97-I156 HydrophobicContact CB-CD1 4.29Å; M97-I156 HydrophobicContact CE-CG2 4.49Å; M97-I156 HydrophobicContact SD-CD1 3.67Å; M97-I156 HydrophobicContact SD-CG2 4.01Å; V106-I156 HydrophobicContact CG2-CD1 3.94Å; Y107-I156 HydrophobicContact CD1-CB 4.38Å; Y107-I156 HydrophobicContact CD1-CG2 3.97Å; Y107-I156 HydrophobicContact CD2-CB 3.7Å; Y107-I156 HydrophobicContact CD2-CG2 4.04Å; Y107-I156 WeakPolarHBondContact CD2-O 3.47Å; Y107-I156 HydrophobicContact CE1-CG2 4.17Å; Y107-I156 HydrophobicContact CE2-CB 4.23Å; Y107-I156 HydrophobicContact CE2-CG2 4.27Å; Y107-I156 WeakPolarHBondContact CE2-O 3.09Å; Y107-I156 HydrophobicContact CG-CB 3.79Å; Y107-I156 HydrophobicContact CG-CD1 4.29Å; Y107-I156 HydrophobicContact CG-CG2 3.89Å; F147-I156 HydrophobicContact CB-CG2 3.91Å; F147-I156 HydrophobicContact CD1-CG2 4.29Å; F147-I156 HydrophobicContact CG-CG2 4.44Å; D148-I156 WeakPolarHBondContact O-CA 3.39Å; V149-I156 HydrophobicContact CG1-CD1 4.48Å; V149-I156 HydrophobicContact CG1-CG1 4.28Å; V149-I156 HydrophobicContact CG2-CG1 4.48Å; S154-I156 PolarHBondContact O-N 3.39Å
157T97.1Very high94.8Very high63 Ų6369.3 Ų69.339%0.38737%0.368SS..EExtended strand (participates in β ladder)trans-129.2141.9-177.654.30000110.9F147 D148 S159F147-T157 CarbonylContact C-O 3.55Å; F147-T157 VanDerWaalsContact CA-O 3.32Å; F147-T157 WeakPolarHBondContact CA-O 3.49Å; D148-T157 PolarHBondContact N-O 2.92Å; D148-T157 PolarHBondContact O-N 2.96Å; T157-S159 PolarHBondContact O-N 2.58Å
158L97.4Very high94.7Very high67 Ų6770.7 Ų70.735%0.35138%0.377SS..EExtended strand (participates in β ladder)trans-68115.5166.9-179.169000108.2L145 F147 V161L145-L158 HydrophobicContact CB-CD1 3.79Å; L145-L158 HydrophobicContact CD2-CD1 4.11Å; L145-L158 HydrophobicContact CG-CD1 4.43Å; F147-L158 HydrophobicContact CD1-CB 4.26Å; F147-L158 HydrophobicContact CD1-CD1 4.21Å; F147-L158 HydrophobicContact CE1-CB 4.13Å; F147-L158 HydrophobicContact CE1-CD1 3.85Å; F147-L158 HydrophobicContact CZ-CD1 4.11Å; L158-V161 HydrophobicContact CD1-CG2 4.4Å; L158-V161 HydrophobicContact CD2-CG2 3.98Å; L158-V161 HydrophobicContact CG-CG2 4.46Å
159S96.8Very high94.8Very high61 Ų6169 Ų6943%0.42737%0.368SS..EExtended strand (participates in β ladder)trans-91.5-44.3-176.9-170.20000111.8V146 T157V146-S159 PolarHBondContact O-N 2.87Å; T157-S159 PolarHBondContact O-N 2.58Å
160E97.3Very high94.9Very high46 Ų4669.2 Ų69.222%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-150.2154.3-172.2-164.3176.6174.800110.5V146 L162 F204V146-E160 HydrophobicContact CB-CB 3.99Å; V146-E160 HydrophobicContact CG2-CB 4.18Å; V146-E160 PolarHBondContact N-O 3.21Å; V146-E160 PolarHBondContact O-N 2.86Å; E160-L162 HydrophobicContact CG-CD2 3.78Å; E160-L162 WeakPolarHBondContact OE1-CD2 3.22Å; E160-F204 PolarHBondContact OE2-N 3.24Å
161V97.8Very high95.1Very high65 Ų6567.8 Ų67.839%0.39436%0.361SS..EExtended strand (participates in β ladder)trans-125.3119.1170.2-1780000108M144 L145 L158 E163M144-V161 CarbonylContact O-C 3.55Å; M144-V161 WeakPolarHBondContact O-CA 3.31Å; L145-V161 HydrophobicContact CD2-CB 4.45Å; L145-V161 HydrophobicContact CD2-CG1 4.05Å; L145-V161 HydrophobicContact CD2-CG2 3.77Å; L158-V161 HydrophobicContact CD1-CG2 4.4Å; L158-V161 HydrophobicContact CD2-CG2 3.98Å; L158-V161 HydrophobicContact CG-CG2 4.46Å; V161-E163 HydrophobicContact CG1-CG 4.01Å
162L98.2Very high95.5Very high9 Ų962.1 Ų62.15%0.04733%0.332CS..EExtended strand (participates in β ladder)trans-100127.1-178.5-47.1173.8000109.5S143 M144 V146 E160 M186 W198 F204S143-L162 CarbonylContact C-O 3.57Å; S143-L162 WeakPolarHBondContact CA-O 3.28Å; M144-L162 HydrophobicContact CB-CB 4.19Å; M144-L162 HydrophobicContact CB-CD1 4.44Å; M144-L162 HydrophobicContact CE-CD1 3.97Å; M144-L162 PolarHBondContact N-O 3.21Å; M144-L162 PolarHBondContact O-N 3.11Å; V146-L162 HydrophobicContact CG2-CD1 3.91Å; V146-L162 HydrophobicContact CG2-CG 4.06Å; E160-L162 HydrophobicContact CG-CD2 3.78Å; E160-L162 WeakPolarHBondContact OE1-CD2 3.22Å; L162-M186 HydrophobicContact CD1-CE 4.29Å; L162-W198 HydrophobicContact CB-CH2 3.79Å; L162-W198 HydrophobicContact CB-CZ2 4.49Å; L162-W198 HydrophobicContact CB-CZ3 4.15Å; L162-W198 HydrophobicContact CD1-CD2 4.41Å; L162-W198 HydrophobicContact CD1-CE3 4.09Å; L162-W198 HydrophobicContact CD1-CH2 4.06Å; L162-W198 HydrophobicContact CD1-CZ2 4.44Å; L162-W198 HydrophobicContact CD1-CZ3 3.9Å; L162-W198 HydrophobicContact CD2-CZ3 4.29Å; L162-W198 HydrophobicContact CG-CH2 4.4Å; L162-W198 HydrophobicContact CG-CZ3 4.34Å; L162-F204 HydrophobicContact CD1-CB 3.88Å; L162-F204 HydrophobicContact CD1-CD1 4.07Å; L162-F204 HydrophobicContact CD1-CG 4.11Å; L162-F204 HydrophobicContact CD2-CB 3.79Å; L162-F204 HydrophobicContact CG-CB 4.48Å
163E96.9Very high96Very high145 Ų14553.9 Ų53.968%0.67830%0.297SS*.  trans-124.354.1-170.4-58.8-165120.900112.2S143 V161S143-E163 PolarHBondContact OG-OE1 2.93Å; V161-E163 HydrophobicContact CG1-CG 4.01Å
164E97.5Very high96.7Very high75 Ų7553 Ų5335%0.3528%0.283SS..  trans-100.3-27-175.3-67.1-62.4160.400114.7W198 L206 K209E164-W198 HydrophobicContact CB-CH2 3.66Å; E164-W198 HydrophobicContact CB-CZ2 4.03Å; E164-W198 HydrophobicContact CG-CH2 3.31Å; E164-W198 HydrophobicContact CG-CZ2 4.16Å; E164-W198 HydrophobicContact CG-CZ3 3.97Å; E164-L206 HydrophobicContact CG-CD1 4.48Å; E164-L206 HydrophobicContact CG-CD2 4.04Å; E164-K209 PolarHBondContact O-NZ 2.95Å; E164-K209 WeakPolarHBondContact OE2-CE 3.38Å; E164-K209 IonicContact OE2-NZ 2.62Å; E164-K209 PolarHBondContact OE2-NZ 2.59Å
165H97.1Very high97Very high11 Ų1150.4 Ų50.45%0.05126%0.263CS..  trans-87149.6173.6-67.2-90.2000110.8G142 I169 S188 D190 N194 C196G142-H165 WeakPolarHBondContact O-CB 3.23Å; H165-I169 HydrophobicContact CB-CD1 3.73Å; H165-I169 WeakPolarHBondContact CD2-CD1 3.32Å; H165-S188 PolarHBondContact NE2-OG 2.82Å; H165-D190 HydrophobicContact CB-CB 4.27Å; H165-D190 IonicContact CE1-OD2 2.76Å; H165-D190 IonicContact CG-OD2 3.26Å; H165-D190 WeakPolarHBondContact ND1-CB 3.23Å; H165-D190 IonicContact ND1-OD2 3.36Å; H165-D190 PolarHBondContact ND1-OD2 3.41Å; H165-N194 PolarHBondContact CE1-O 2.77Å; H165-N194 VanDerWaalsContact CE1-O 3.25Å; H165-C196 VanDerWaalsContact CE1-SG 3.59Å; H165-C196 WeakPolarHBondContact NE2-CB 3.3Å; H165-C196 PolarHBondContact NE2-SG 3.13Å; H165-C196 VanDerWaalsContact NE2-SG 3.38Å
166K94.7Very high97Very high183 Ų18346.6 Ų46.680%0.79625%0.245SC*.SBendtrans-107.5-11.9179.1-63.2-178.1-179.7177.60113.3
167E95.8Very high96.6Very high100 Ų10047.2 Ų47.247%0.46725%0.25SS..SBendtrans-119.4164.1179.8-66.1-58.3149.600109.7G142 I169 D190G142-E167 WeakPolarHBondContact CA-O 3.35Å; E167-I169 PolarHBondContact O-N 3.38Å; E167-D190 HydrophobicContact CB-CB 4.16Å
168S96.4Very high95.8Very high29 Ų2947.4 Ų47.420%0.20326%0.264CS..  trans-54.1132.8-178.8-63.40000112.4S140 T170 D190 D191S140-S168 WeakPolarHBondContact CA-OG 3.46Å; S140-S168 VanDerWaalsContact O-CA 3.28Å; S140-S168 WeakPolarHBondContact O-CA 3.18Å; S140-S168 WeakPolarHBondContact O-CB 3.14Å; S140-S168 PolarHBondContact O-OG 2.92Å; S168-T170 PolarHBondContact O-N 3.16Å; S168-D190 CarbonylContact O-C 3.55Å; S168-D190 VanDerWaalsContact O-CA 3.28Å; S168-D190 WeakPolarHBondContact O-CA 3.49Å; S168-D190 WeakPolarHBondContact O-CB 3.45Å; S168-D191 PolarHBondContact O-N 2.86Å
169I98.3Very high94.8Very high1 Ų147.1 Ų47.11%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-67.4131173.9-58.4-60.9000110.4I139 M144 H165 E167 L172 A189I139-I169 PolarHBondContact O-N 3.1Å; M144-I169 HydrophobicContact CG-CD1 4.19Å; M144-I169 HydrophobicContact CG-CG1 4.14Å; M144-I169 HydrophobicContact SD-CD1 4.43Å; H165-I169 HydrophobicContact CB-CD1 3.73Å; H165-I169 WeakPolarHBondContact CD2-CD1 3.32Å; E167-I169 PolarHBondContact O-N 3.38Å; I169-L172 HydrophobicContact CG2-CD1 3.43Å; I169-L172 VanDerWaalsContact CG2-CD1 3.43Å; I169-L172 HydrophobicContact CG2-CG 4.5Å; I169-A189 WeakPolarHBondContact CA-O 3.48Å; I169-A189 WeakPolarHBondContact CG2-O 3.32Å
170T98.1Very high93.4Very high7 Ų751.7 Ų51.74%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-102.5-40.1-17750.80000112.7R125 S168 A189 D191 C217R125-T170 WeakPolarHBondContact CD-O 3.31Å; R125-T170 WeakPolarHBondContact CG-O 3.22Å; S168-T170 PolarHBondContact O-N 3.16Å; T170-A189 PolarHBondContact N-O 3.05Å; T170-A189 VanDerWaalsContact OG1-C 3.26Å; T170-A189 PolarHBondContact OG1-O 3.34Å; T170-A189 VanDerWaalsContact OG1-O 3.07Å; T170-D191 HydrophobicContact CG2-CB 4Å; T170-C217 WeakPolarHBondContact CB-O 3.23Å; T170-C217 PolarHBondContact OG1-O 3.37Å
171D98.6Very high92.5Very high2 Ų258 Ų581%0.01132%0.316CS..EExtended strand (participates in β ladder)trans-156.4155.8179-160.719000111.4N19 A189 S219 V220 K221N19-D171 PolarHBondContact ND2-OD2 2.94Å; N19-D171 VanDerWaalsContact ND2-OD2 3.14Å; D171-A189 PolarHBondContact O-N 3.31Å; D171-S219 VanDerWaalsContact OD2-CA 3.26Å; D171-S219 WeakPolarHBondContact OD2-CA 3.47Å; D171-S219 PolarHBondContact OD2-OG 2.99Å; D171-V220 HydrophobicContact CB-CG1 4.16Å; D171-V220 PolarHBondContact OD2-N 2.9Å; D171-K221 IonicContact OD2-NZ 3.75Å; D171-K221 PolarHBondContact OD2-NZ 2.78Å
172L98.7Very high91.8Very high3 Ų356.2 Ų56.22%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-130.2149.9168.4-74.186.3000108.9G126 A128 C136 M144 I169 M186 V187G126-L172 VanDerWaalsContact C-CD1 3.44Å; G126-L172 VanDerWaalsContact CA-CD1 3.46Å; A128-L172 HydrophobicContact CB-CB 3.74Å; A128-L172 HydrophobicContact CB-CD2 4.45Å; C136-L172 HydrophobicContact CB-CD2 3.76Å; M144-L172 HydrophobicContact CE-CD2 3.43Å; M144-L172 VanDerWaalsContact CE-CD2 3.43Å; M144-L172 HydrophobicContact CE-CG 4.33Å; M144-L172 HydrophobicContact CG-CD2 4.41Å; M144-L172 HydrophobicContact SD-CD2 4.24Å; I169-L172 HydrophobicContact CG2-CD1 3.43Å; I169-L172 VanDerWaalsContact CG2-CD1 3.43Å; I169-L172 HydrophobicContact CG2-CG 4.5Å; L172-M186 HydrophobicContact CD2-SD 3.98Å; L172-V187 WeakPolarHBondContact CA-O 3.47Å
173A98.3Very high91.4Very high7 Ų761.5 Ų61.56%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-145.6145.5170.400000111.9M186 V187 V220 K221A173-M186 CarbonylContact O-C 3.56Å; A173-M186 VanDerWaalsContact O-CA 3.32Å; A173-M186 WeakPolarHBondContact O-CA 3.47Å; A173-V187 HydrophobicContact CB-CG1 4.13Å; A173-V187 PolarHBondContact N-O 2.99Å; A173-V187 PolarHBondContact O-N 2.52Å; A173-V220 HydrophobicContact CB-CG1 4.34Å; A173-V220 VanDerWaalsContact CB-O 3.23Å; A173-V220 WeakPolarHBondContact CB-O 3.45Å; A173-K221 HydrophobicContact CB-CD 4.22Å
174S97.1Very high91.3Very high28 Ų2854.6 Ų54.620%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-93.4159.8170.2-51.20000111A129 V130 C176 D185A129-S174 VanDerWaalsContact O-CB 3.29Å; A129-S174 WeakPolarHBondContact O-CB 3.45Å; A129-S174 PolarHBondContact O-OG 2.97Å; V130-S174 WeakPolarHBondContact CG2-OG 3.23Å; S174-C176 PolarHBondContact O-N 3.1Å; S174-D185 CarbonylContact C-O 3.54Å; S174-D185 WeakPolarHBondContact CA-O 3.08Å
175E96Very high91.2Very high25 Ų2551.6 Ų51.612%0.11729%0.288CS..BIsolated β-bridgetrans-58119.8168.3174.553.6-116.300109.9S177 C182 D185 L222 W223 K224 G225E175-S177 WeakPolarHBondContact OE1-CB 3.39Å; E175-S177 PolarHBondContact OE1-N 3.22Å; E175-S177 PolarHBondContact OE1-OG 2.79Å; E175-C182 HydrophobicContact CG-CB 4.15Å; E175-D185 HydrophobicContact CB-CB 4.47Å; E175-D185 PolarHBondContact N-O 2.97Å; E175-L222 WeakPolarHBondContact CA-O 3.42Å; E175-L222 HydrophobicContact CB-CD2 3.93Å; E175-L222 HydrophobicContact CB-CG 4.08Å; E175-W223 WeakPolarHBondContact OE1-CA 3.31Å; E175-K224 PolarHBondContact OE1-N 2.9Å; E175-K224 PolarHBondContact OE2-N 3.49Å; E175-G225 PolarHBondContact OE2-N 2.87Å
176C93.3Very high91.2Very high45 Ų4551.1 Ų51.130%0.30429%0.285SS..  trans-104.5-8.4-170.464.10000114.5S174 G178 L222 P264S174-C176 PolarHBondContact O-N 3.1Å; C176-G178 PolarHBondContact O-N 3.49Å; C176-G178 VanDerWaalsContact O-N 3.1Å; C176-L222 PolarHBondContact N-O 2.97Å; C176-L222 VanDerWaalsContact N-O 3.11Å; C176-L222 PolarHBondContact SG-O 2.94Å; C176-P264 HydrophobicContact CB-CB 4.48Å; C176-P264 WeakPolarHBondContact O-CB 3.41Å
177S88Confident91.4Very high20 Ų2042.4 Ų42.414%0.1425%0.247CC..SBendtrans-66.6-11.2-176.762.50000115.2E175 S179E175-S177 WeakPolarHBondContact OE1-CB 3.39Å; E175-S177 PolarHBondContact OE1-N 3.22Å; E175-S177 PolarHBondContact OE1-OG 2.79Å; S177-S179 VanDerWaalsContact C-N 3.28Å
178G78.6Confident91.6Very high66 Ų6637.6 Ų37.668%0.6823%0.225SC*.  trans78.97.6-17500000114.1C176 L180C176-G178 PolarHBondContact O-N 3.49Å; C176-G178 VanDerWaalsContact O-N 3.1Å; G178-L180 PolarHBondContact O-N 2.96Å
179S76.9Confident91.7Very high61 Ų6136.2 Ų36.243%0.42722%0.215SC..  trans-69.8116.6172.6-168.40000110.8S177 E181S177-S179 VanDerWaalsContact C-N 3.28Å; S179-E181 PolarHBondContact O-N 2.62Å; S179-E181 PolarHBondContact OG-O 2.84Å
180L68.1Low91.6Very high157 Ų15736.2 Ų36.282%0.82222%0.215SC*.SBendtrans-66.7-27.3173.3-70.4169000111.9G178G178-L180 PolarHBondContact O-N 2.96Å
181E77.7Confident91.5Very high180 Ų18039.6 Ų39.684%0.84123%0.233SC*.  trans-108.194.7177.3-65.6-175.3-175.600108.9S179S179-E181 PolarHBondContact O-N 2.62Å; S179-E181 PolarHBondContact OG-O 2.84Å
182C84.1Confident91.4Very high27 Ų2740.3 Ų40.318%0.18224%0.238CC..  trans-127.5144.5170.750.10000108.8E175 A184 K199E175-C182 HydrophobicContact CG-CB 4.15Å; C182-A184 WeakPolarHBondContact CB-O 3.38Å; C182-A184 PolarHBondContact SG-O 2.89Å; C182-K199 VanDerWaalsContact O-CE 3.24Å; C182-K199 WeakPolarHBondContact O-CE 3.25Å; C182-K199 PolarHBondContact O-NZ 2.9Å
183I89.3Confident91.3Very high119 Ų11940.2 Ų40.261%0.6124%0.238SC*.SBendtrans-72.4-45.3178-60.8172.2000109.2K199 L207 V242I183-K199 WeakPolarHBondContact O-CB 3.42Å; I183-K199 WeakPolarHBondContact O-CD 3.18Å; I183-K199 WeakPolarHBondContact O-CE 3.41Å; I183-K199 WeakPolarHBondContact O-CG 3.47Å; I183-L207 HydrophobicContact CG2-CD1 4.13Å; I183-L207 WeakPolarHBondContact O-CD1 3.06Å; I183-V242 HydrophobicContact CB-CG2 4.05Å; I183-V242 HydrophobicContact CD1-CG2 4.37Å; I183-V242 HydrophobicContact CG2-CG2 3.67Å
184A94.4Very high91.2Very high1 Ų142.6 Ų42.61%0.00825%0.25CC..  trans-108.6139.9171.200000110C182 V197 W198 L207 L222 A241C182-A184 WeakPolarHBondContact CB-O 3.38Å; C182-A184 PolarHBondContact SG-O 2.89Å; A184-V197 HydrophobicContact CB-CG1 3.4Å; A184-W198 WeakPolarHBondContact CA-O 3.26Å; A184-L207 HydrophobicContact CB-CD1 3.79Å; A184-L222 HydrophobicContact CB-CD2 4.32Å; A184-A241 HydrophobicContact CB-CB 4.08Å
185D96.2Very high91.3Very high12 Ų1241.3 Ų41.36%0.06424%0.24CC..  trans-127.4-3178.250.936.6000114.6R131 S174 E175 W198 K199 S200R131-D185 IonicContact NE-OD2 3.41Å; S174-D185 CarbonylContact C-O 3.54Å; S174-D185 WeakPolarHBondContact CA-O 3.08Å; E175-D185 HydrophobicContact CB-CB 4.47Å; E175-D185 PolarHBondContact N-O 2.97Å; D185-W198 PolarHBondContact N-O 3.28Å; D185-K199 WeakPolarHBondContact OD2-CD 3.38Å; D185-K199 IonicContact OD2-NZ 2.93Å; D185-K199 PolarHBondContact OD2-NZ 3.35Å; D185-S200 WeakPolarHBondContact OD1-CB 3.42Å; D185-S200 PolarHBondContact OD1-N 3.34Å; D185-S200 PolarHBondContact OD1-OG 3.02Å; D185-S200 PolarHBondContact OD2-OG 2.86Å
186M97.7Very high91.4Very high0 Ų040.2 Ų40.20%024%0.235CC..EExtended strand (participates in β ladder)trans-146.5148.5172.8-179.4-176.369.300111.1V130 C136 M144 L162 L172 A173 W198 F204V130-M186 HydrophobicContact CG1-CB 4.39Å; V130-M186 HydrophobicContact CG2-CB 4.14Å; V130-M186 HydrophobicContact CG2-CG 4.1Å; V130-M186 HydrophobicContact CG2-SD 3.68Å; C136-M186 HydrophobicContact CB-SD 3.76Å; C136-M186 VanDerWaalsContact SG-SD 3.69Å; M144-M186 HydrophobicContact CE-CE 3.27Å; M144-M186 HydrophobicContact CE-SD 3.88Å; L162-M186 HydrophobicContact CD1-CE 4.29Å; L172-M186 HydrophobicContact CD2-SD 3.98Å; A173-M186 CarbonylContact O-C 3.56Å; A173-M186 VanDerWaalsContact O-CA 3.32Å; A173-M186 WeakPolarHBondContact O-CA 3.47Å; M186-W198 HydrophobicContact CB-CB 4.24Å; M186-W198 HydrophobicContact CE-CB 3.73Å; M186-W198 VanDerWaalsContact CE-CD1 3.5Å; M186-W198 HydrophobicContact CE-CD2 4.07Å; M186-W198 HydrophobicContact CE-CG 3.48Å; M186-W198 VanDerWaalsContact CE-CG 3.48Å; M186-W198 PolarHBondContact N-O 2.93Å; M186-W198 PolarHBondContact O-N 2.76Å; M186-F204 HydrophobicContact CE-CD1 3.52Å; M186-F204 HydrophobicContact CE-CE1 3.47Å; M186-F204 VanDerWaalsContact CE-CE1 3.47Å; M186-F204 HydrophobicContact SD-CE1 3.95Å
187V98.8Very high91.7Very high0 Ų038 Ų380%022%0.221CC..EExtended strand (participates in β ladder)trans-132.5142.8169.362.30000109.7L172 A173 L195 C196 V197 V220 L222 V227L172-V187 WeakPolarHBondContact CA-O 3.47Å; A173-V187 HydrophobicContact CB-CG1 4.13Å; A173-V187 PolarHBondContact N-O 2.99Å; A173-V187 PolarHBondContact O-N 2.52Å; V187-L195 HydrophobicContact CG2-CB 4.36Å; V187-C196 WeakPolarHBondContact CA-O 3.32Å; V187-C196 WeakPolarHBondContact CG2-O 3.48Å; V187-V197 HydrophobicContact CG2-CG2 4.27Å; V187-V220 HydrophobicContact CB-CG2 4.39Å; V187-V220 HydrophobicContact CG1-CB 4.38Å; V187-V220 HydrophobicContact CG1-CG1 3.92Å; V187-V220 HydrophobicContact CG1-CG2 3.6Å; V187-V220 HydrophobicContact CG2-CG2 3.83Å; V187-L222 HydrophobicContact CG1-CB 3.92Å; V187-V227 HydrophobicContact CB-CG2 4.35Å; V187-V227 HydrophobicContact CG2-CG1 3.9Å; V187-V227 HydrophobicContact CG2-CG2 4.03Å
188S98.8Very high92.2Very high0 Ų037.3 Ų37.30%022%0.215CC..EExtended strand (participates in β ladder)trans-122.6149.1173.3550000110.4M144 H165 L195 C196 W198M144-S188 WeakPolarHBondContact SD-CB 3Å; M144-S188 PolarHBondContact SD-OG 2.89Å; M144-S188 VanDerWaalsContact SD-OG 3.36Å; H165-S188 PolarHBondContact NE2-OG 2.82Å; S188-L195 CarbonylContact O-C 3.6Å; S188-L195 VanDerWaalsContact O-CA 3.23Å; S188-L195 WeakPolarHBondContact O-CA 3.34Å; S188-C196 PolarHBondContact N-O 3.33Å; S188-C196 PolarHBondContact O-N 2.91Å; S188-C196 WeakPolarHBondContact OG-CB 3.28Å; S188-C196 PolarHBondContact OG-O 3.15Å; S188-W198 PolarHBondContact OG-NE1 2.98Å
189A98.5Very high93Very high0 Ų036.4 Ų36.40%019%0.192CC..EExtended strand (participates in β ladder)trans-126.9150.1178.200000110.8I169 T170 D171 N194 L195 C217 V220I169-A189 WeakPolarHBondContact CA-O 3.48Å; I169-A189 WeakPolarHBondContact CG2-O 3.32Å; T170-A189 PolarHBondContact N-O 3.05Å; T170-A189 VanDerWaalsContact OG1-C 3.26Å; T170-A189 PolarHBondContact OG1-O 3.34Å; T170-A189 VanDerWaalsContact OG1-O 3.07Å; D171-A189 PolarHBondContact O-N 3.31Å; A189-N194 WeakPolarHBondContact CA-O 3.38Å; A189-L195 HydrophobicContact CB-CD2 3.56Å; A189-C217 HydrophobicContact CB-CB 4Å; A189-V220 HydrophobicContact CB-CB 4.17Å; A189-V220 HydrophobicContact CB-CG1 4.09Å
190D97.5Very high93.9Very high1 Ų133.5 Ų33.51%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-122.4175.3173.770.631.6000113.6H165 E167 S168 S192 G193 N194H165-D190 HydrophobicContact CB-CB 4.27Å; H165-D190 IonicContact CE1-OD2 2.76Å; H165-D190 IonicContact CG-OD2 3.26Å; H165-D190 WeakPolarHBondContact ND1-CB 3.23Å; H165-D190 IonicContact ND1-OD2 3.36Å; H165-D190 PolarHBondContact ND1-OD2 3.41Å; E167-D190 HydrophobicContact CB-CB 4.16Å; S168-D190 CarbonylContact O-C 3.55Å; S168-D190 VanDerWaalsContact O-CA 3.28Å; S168-D190 WeakPolarHBondContact O-CA 3.49Å; S168-D190 WeakPolarHBondContact O-CB 3.45Å; D190-S192 VanDerWaalsContact C-N 3.25Å; D190-S192 PolarHBondContact O-N 3.19Å; D190-S192 WeakPolarHBondContact OD1-CA 3.48Å; D190-S192 PolarHBondContact OD1-N 3.33Å; D190-S192 PolarHBondContact OD1-OG 3.26Å; D190-S192 PolarHBondContact OD2-OG 3.07Å; D190-G193 WeakPolarHBondContact O-CA 3.17Å; D190-G193 PolarHBondContact O-N 3.22Å; D190-G193 PolarHBondContact OD1-N 3.14Å; D190-N194 PolarHBondContact N-O 3.38Å; D190-N194 VanDerWaalsContact N-O 3.11Å; D190-N194 PolarHBondContact OD1-N 2.97Å; D190-N194 WeakPolarHBondContact OD2-CB 3.37Å
191D95.6Very high95Very high78 Ų7826.9 Ų26.942%0.41714%0.142SC..THydrogen-bonded Turntrans-72.7-14.3-176.3-154.541.9000114.1S168 T170 G193 S216S168-D191 PolarHBondContact O-N 2.86Å; T170-D191 HydrophobicContact CG2-CB 4Å; D191-G193 VanDerWaalsContact C-N 3.28Å; D191-S216 WeakPolarHBondContact O-CA 3.39Å; D191-S216 WeakPolarHBondContact O-CB 3.25Å; D191-S216 WeakPolarHBondContact OD1-CB 3.18Å; D191-S216 PolarHBondContact OD1-OG 2.92Å
192S95.8Very high95.5Very high17 Ų1726.8 Ų26.812%0.11914%0.141CC..THydrogen-bonded Turntrans-87-1.2166.9610000113.1D190 N194 D214 M215D190-S192 VanDerWaalsContact C-N 3.25Å; D190-S192 PolarHBondContact O-N 3.19Å; D190-S192 WeakPolarHBondContact OD1-CA 3.48Å; D190-S192 PolarHBondContact OD1-N 3.33Å; D190-S192 PolarHBondContact OD1-OG 3.26Å; D190-S192 PolarHBondContact OD2-OG 3.07Å; S192-N194 VanDerWaalsContact C-N 3.34Å; S192-N194 PolarHBondContact OG-ND2 2.93Å; S192-D214 WeakPolarHBondContact O-CA 3.32Å; S192-D214 PolarHBondContact O-N 3.36Å; S192-M215 PolarHBondContact O-N 3.2Å
193G95.9Very high95.9Very high0 Ų030.3 Ų30.30%016%0.158CC..  trans841.4-179.700000115.1D190 D191 G212 M215D190-G193 WeakPolarHBondContact O-CA 3.17Å; D190-G193 PolarHBondContact O-N 3.22Å; D190-G193 PolarHBondContact OD1-N 3.14Å; D191-G193 VanDerWaalsContact C-N 3.28Å; G193-G212 WeakPolarHBondContact O-CA 3.15Å; G193-M215 WeakPolarHBondContact CA-O 3.48Å; G193-M215 PolarHBondContact N-O 2.86Å
194N97.8Very high96.3Very high58 Ų5825.3 Ų25.331%0.3113%0.132SC..  trans-68.2142.2178.9-59.8-50.6000109H165 A189 D190 S192 I210 P211 G212H165-N194 PolarHBondContact CE1-O 2.77Å; H165-N194 VanDerWaalsContact CE1-O 3.25Å; A189-N194 WeakPolarHBondContact CA-O 3.38Å; D190-N194 PolarHBondContact N-O 3.38Å; D190-N194 VanDerWaalsContact N-O 3.11Å; D190-N194 PolarHBondContact OD1-N 2.97Å; D190-N194 WeakPolarHBondContact OD2-CB 3.37Å; S192-N194 VanDerWaalsContact C-N 3.34Å; S192-N194 PolarHBondContact OG-ND2 2.93Å; N194-I210 WeakPolarHBondContact CA-O 3.41Å; N194-P211 WeakPolarHBondContact OD1-CA 3.44Å; N194-G212 PolarHBondContact OD1-N 3.4Å
195L98.6Very high96.4Very high0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-115.7132.5176.8-44.1173.6000108.7V187 S188 A189 K209 I210 C217 V220 V227 A229 Y239V187-L195 HydrophobicContact CG2-CB 4.36Å; S188-L195 CarbonylContact O-C 3.6Å; S188-L195 VanDerWaalsContact O-CA 3.23Å; S188-L195 WeakPolarHBondContact O-CA 3.34Å; A189-L195 HydrophobicContact CB-CD2 3.56Å; L195-K209 CarbonylContact O-C 3.58Å; L195-K209 WeakPolarHBondContact O-CA 3.42Å; L195-I210 HydrophobicContact CB-CB 4.15Å; L195-I210 HydrophobicContact CD1-CB 4.47Å; L195-I210 PolarHBondContact N-O 3.29Å; L195-I210 PolarHBondContact O-N 2.86Å; L195-C217 HydrophobicContact CD2-CB 4.2Å; L195-V220 HydrophobicContact CD2-CG2 4.43Å; L195-V227 HydrophobicContact CD1-CG1 3.81Å; L195-A229 HydrophobicContact CD1-CB 3.84Å; L195-A229 HydrophobicContact CD2-CB 4.48Å; L195-Y239 HydrophobicContact CD1-CD2 4.09Å; L195-Y239 HydrophobicContact CD1-CE2 3.98Å
196C98.6Very high96.5Very high2 Ų233.5 Ų33.51%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-108.4130.2167.8-65.60000108.8H165 V187 S188 W198 L206H165-C196 VanDerWaalsContact CE1-SG 3.59Å; H165-C196 WeakPolarHBondContact NE2-CB 3.3Å; H165-C196 PolarHBondContact NE2-SG 3.13Å; H165-C196 VanDerWaalsContact NE2-SG 3.38Å; V187-C196 WeakPolarHBondContact CA-O 3.32Å; V187-C196 WeakPolarHBondContact CG2-O 3.48Å; S188-C196 PolarHBondContact N-O 3.33Å; S188-C196 PolarHBondContact O-N 2.91Å; S188-C196 WeakPolarHBondContact OG-CB 3.28Å; S188-C196 PolarHBondContact OG-O 3.15Å; C196-W198 HydrophobicContact CB-CZ2 3.53Å; C196-W198 PolarHBondContact O-NE1 3.03Å; C196-W198 VanDerWaalsContact O-NE1 3.11Å; C196-L206 HydrophobicContact CB-CD1 3.64Å
197V98.7Very high96.5Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-105.8132.9179178.70000108.5A184 V187 L207 N208 I210 V227 A241A184-V197 HydrophobicContact CB-CG1 3.4Å; V187-V197 HydrophobicContact CG2-CG2 4.27Å; V197-L207 HydrophobicContact CG1-CB 4.39Å; V197-L207 HydrophobicContact CG1-CD1 4.42Å; V197-L207 PolarHBondContact O-N 2.81Å; V197-N208 HydrophobicContact CB-CB 4.2Å; V197-N208 PolarHBondContact N-O 2.89Å; V197-N208 PolarHBondContact O-N 2.96Å; V197-I210 HydrophobicContact CG2-CD1 4.2Å; V197-V227 HydrophobicContact CG2-CG2 3.97Å; V197-A241 HydrophobicContact CG1-CB 3.89Å
198W98.3Very high96.5Very high5 Ų538.1 Ų38.12%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-127.9149.9-168.4-5086.8000112M144 L162 E164 A184 D185 M186 S188 C196 Q205 L206M144-W198 HydrophobicContact CE-CZ2 4.4Å; M144-W198 HydrophobicContact SD-CZ2 4.05Å; L162-W198 HydrophobicContact CB-CH2 3.79Å; L162-W198 HydrophobicContact CB-CZ2 4.49Å; L162-W198 HydrophobicContact CB-CZ3 4.15Å; L162-W198 HydrophobicContact CD1-CD2 4.41Å; L162-W198 HydrophobicContact CD1-CE3 4.09Å; L162-W198 HydrophobicContact CD1-CH2 4.06Å; L162-W198 HydrophobicContact CD1-CZ2 4.44Å; L162-W198 HydrophobicContact CD1-CZ3 3.9Å; L162-W198 HydrophobicContact CD2-CZ3 4.29Å; L162-W198 HydrophobicContact CG-CH2 4.4Å; L162-W198 HydrophobicContact CG-CZ3 4.34Å; E164-W198 HydrophobicContact CB-CH2 3.66Å; E164-W198 HydrophobicContact CB-CZ2 4.03Å; E164-W198 HydrophobicContact CG-CH2 3.31Å; E164-W198 HydrophobicContact CG-CZ2 4.16Å; E164-W198 HydrophobicContact CG-CZ3 3.97Å; A184-W198 WeakPolarHBondContact CA-O 3.26Å; D185-W198 PolarHBondContact N-O 3.28Å; M186-W198 HydrophobicContact CB-CB 4.24Å; M186-W198 HydrophobicContact CE-CB 3.73Å; M186-W198 VanDerWaalsContact CE-CD1 3.5Å; M186-W198 HydrophobicContact CE-CD2 4.07Å; M186-W198 HydrophobicContact CE-CG 3.48Å; M186-W198 VanDerWaalsContact CE-CG 3.48Å; M186-W198 PolarHBondContact N-O 2.93Å; M186-W198 PolarHBondContact O-N 2.76Å; S188-W198 PolarHBondContact OG-NE1 2.98Å; C196-W198 HydrophobicContact CB-CZ2 3.53Å; C196-W198 PolarHBondContact O-NE1 3.03Å; C196-W198 VanDerWaalsContact O-NE1 3.11Å; W198-Q205 CarbonylContact C-O 3.58Å; W198-Q205 VanDerWaalsContact CA-O 3.31Å; W198-Q205 WeakPolarHBondContact CA-O 3.49Å; W198-L206 HydrophobicContact CD2-CD1 4.21Å; W198-L206 HydrophobicContact CE3-CB 3.99Å; W198-L206 HydrophobicContact CE3-CD1 4.13Å; W198-L206 HydrophobicContact CH2-CD1 4.13Å; W198-L206 HydrophobicContact CZ2-CD1 4.14Å; W198-L206 HydrophobicContact CZ3-CB 3.85Å; W198-L206 HydrophobicContact CZ3-CD1 4.09Å
199K96.6Very high96.5Very high46 Ų4642.8 Ų42.820%0.222%0.216CC..EExtended strand (participates in β ladder)trans-114.6109.5161.2-176.143.3155.2-179.90108.2C182 I183 D185 Q205 L207C182-K199 VanDerWaalsContact O-CE 3.24Å; C182-K199 WeakPolarHBondContact O-CE 3.25Å; C182-K199 PolarHBondContact O-NZ 2.9Å; I183-K199 WeakPolarHBondContact O-CB 3.42Å; I183-K199 WeakPolarHBondContact O-CD 3.18Å; I183-K199 WeakPolarHBondContact O-CE 3.41Å; I183-K199 WeakPolarHBondContact O-CG 3.47Å; D185-K199 WeakPolarHBondContact OD2-CD 3.38Å; D185-K199 IonicContact OD2-NZ 2.93Å; D185-K199 PolarHBondContact OD2-NZ 3.35Å; K199-Q205 PolarHBondContact N-O 2.87Å; K199-Q205 PolarHBondContact O-N 2.98Å; K199-L207 HydrophobicContact CB-CD1 3.86Å; K199-L207 HydrophobicContact CB-CD2 4Å; K199-L207 HydrophobicContact CB-CG 3.93Å
200S94.4Very high96.4Very high1 Ų143.1 Ų43.11%0.00722%0.218CC..  trans-62.1156.6168.254.40000109.7V130 R131 D185 F204V130-S200 VanDerWaalsContact CG1-OG 3.3Å; V130-S200 WeakPolarHBondContact CG1-OG 3.16Å; R131-S200 WeakPolarHBondContact CD-OG 3.39Å; R131-S200 WeakPolarHBondContact CG-OG 3.23Å; R131-S200 VanDerWaalsContact NE-C 3.3Å; R131-S200 PolarHBondContact NE-O 3.49Å; R131-S200 PolarHBondContact NE-OG 3.21Å; R131-S200 VanDerWaalsContact NH2-C 3.31Å; R131-S200 PolarHBondContact NH2-O 2.94Å; D185-S200 WeakPolarHBondContact OD1-CB 3.42Å; D185-S200 PolarHBondContact OD1-N 3.34Å; D185-S200 PolarHBondContact OD1-OG 3.02Å; D185-S200 PolarHBondContact OD2-OG 2.86Å; S200-F204 VanDerWaalsContact CB-CE1 3.47Å; S200-F204 VanDerWaalsContact CB-CZ 3.4Å
201G91.6Very high96.3Very high17 Ų1746.2 Ų46.218%0.17524%0.238CC..SBendtrans-160.9-151.3-166.600000112.1R131 D203R131-G201 VanDerWaalsContact CZ-CA 3.45Å; R131-G201 VanDerWaalsContact CZ-N 3.33Å; R131-G201 VanDerWaalsContact NH1-C 3.32Å; R131-G201 PolarHBondContact NH1-O 3.44Å; R131-G201 VanDerWaalsContact NH1-O 3.08Å; G201-D203 VanDerWaalsContact C-N 3.29Å; G201-D203 WeakPolarHBondContact CA-O 3.43Å; G201-D203 PolarHBondContact N-O 3.02Å
202E89Confident95.6Very high178 Ų17842.5 Ų42.583%0.83222%0.218SC*.SBendtrans-63.2-45.7151.5-177.5171.3-173.400108.6
203D92.9Very high95.1Very high102 Ų10248.6 Ų48.655%0.54524%0.242SC..SBendtrans-115.2155.7166.1-51.9-55.2000110.3G201G201-D203 VanDerWaalsContact C-N 3.29Å; G201-D203 WeakPolarHBondContact CA-O 3.43Å; G201-D203 PolarHBondContact N-O 3.02Å
204F96.8Very high94.8Very high14 Ų1455.7 Ų55.76%0.06128%0.28CS..PPolyproline II helixtrans-77.5125.1172.4-83-114.8000110.9V130 Y134 C136 V146 E160 L162 M186 S200V130-F204 HydrophobicContact CB-CZ 4.27Å; V130-F204 HydrophobicContact CG1-CE1 4.07Å; V130-F204 HydrophobicContact CG1-CZ 4.03Å; Y134-F204 HydrophobicContact CD1-CE2 4.47Å; Y134-F204 HydrophobicContact CD2-CE2 4.03Å; Y134-F204 HydrophobicContact CD2-CZ 4.3Å; Y134-F204 HydrophobicContact CE2-CE2 4.4Å; Y134-F204 HydrophobicContact CG-CE2 4.07Å; Y134-F204 HydrophobicContact CG-CZ 4.29Å; C136-F204 VanDerWaalsContact SG-CZ 3.59Å; V146-F204 HydrophobicContact CG1-CD2 4.07Å; V146-F204 HydrophobicContact CG1-CE2 3.48Å; V146-F204 VanDerWaalsContact CG1-CE2 3.48Å; V146-F204 HydrophobicContact CG1-CZ 3.97Å; V146-F204 HydrophobicContact CG2-CD2 4.24Å; V146-F204 HydrophobicContact CG2-CE2 4.25Å; V146-F204 HydrophobicContact CG2-CZ 4.5Å; E160-F204 PolarHBondContact OE2-N 3.24Å; L162-F204 HydrophobicContact CD1-CB 3.88Å; L162-F204 HydrophobicContact CD1-CD1 4.07Å; L162-F204 HydrophobicContact CD1-CG 4.11Å; L162-F204 HydrophobicContact CD2-CB 3.79Å; L162-F204 HydrophobicContact CG-CB 4.48Å; M186-F204 HydrophobicContact CE-CD1 3.52Å; M186-F204 HydrophobicContact CE-CE1 3.47Å; M186-F204 VanDerWaalsContact CE-CE1 3.47Å; M186-F204 HydrophobicContact SD-CE1 3.95Å; S200-F204 VanDerWaalsContact CB-CE1 3.47Å; S200-F204 VanDerWaalsContact CB-CZ 3.4Å
205Q97.3Very high94.5Very high126 Ų12654.8 Ų54.859%0.58928%0.275SS*.EExtended strand (participates in β ladder)trans-103.6126.5178.1-64.1-173.4-9.100110.4W198 K199 L207W198-Q205 CarbonylContact C-O 3.58Å; W198-Q205 VanDerWaalsContact CA-O 3.31Å; W198-Q205 WeakPolarHBondContact CA-O 3.49Å; K199-Q205 PolarHBondContact N-O 2.87Å; K199-Q205 PolarHBondContact O-N 2.98Å; Q205-L207 PolarHBondContact O-N 2.71Å
206L98.2Very high94.3Very high58 Ų5855.5 Ų55.530%0.30428%0.28SS..EExtended strand (participates in β ladder)trans-70.8120167.1-179.572.8000109.1E164 C196 W198 N208 K209E164-L206 HydrophobicContact CG-CD1 4.48Å; E164-L206 HydrophobicContact CG-CD2 4.04Å; C196-L206 HydrophobicContact CB-CD1 3.64Å; W198-L206 HydrophobicContact CD2-CD1 4.21Å; W198-L206 HydrophobicContact CE3-CB 3.99Å; W198-L206 HydrophobicContact CE3-CD1 4.13Å; W198-L206 HydrophobicContact CH2-CD1 4.13Å; W198-L206 HydrophobicContact CZ2-CD1 4.14Å; W198-L206 HydrophobicContact CZ3-CB 3.85Å; W198-L206 HydrophobicContact CZ3-CD1 4.09Å; L206-N208 WeakPolarHBondContact CD1-O 3.38Å; L206-K209 HydrophobicContact CD1-CG 4.27Å; L206-K209 HydrophobicContact CD2-CD 4.21Å; L206-K209 HydrophobicContact CD2-CG 3.9Å
207L98.1Very high94.3Very high62 Ų6255.4 Ų55.433%0.32528%0.279SS..EExtended strand (participates in β ladder)trans-92.4-41176.9-64.3-178.3000112.3I183 A184 V197 K199 Q205I183-L207 HydrophobicContact CG2-CD1 4.13Å; I183-L207 WeakPolarHBondContact O-CD1 3.06Å; A184-L207 HydrophobicContact CB-CD1 3.79Å; V197-L207 HydrophobicContact CG1-CB 4.39Å; V197-L207 HydrophobicContact CG1-CD1 4.42Å; V197-L207 PolarHBondContact O-N 2.81Å; K199-L207 HydrophobicContact CB-CD1 3.86Å; K199-L207 HydrophobicContact CB-CD2 4Å; K199-L207 HydrophobicContact CB-CG 3.93Å; Q205-L207 PolarHBondContact O-N 2.71Å
208N98Very high94.2Very high35 Ų3555.4 Ų55.419%0.18728%0.279CS..EExtended strand (participates in β ladder)trans-155.1154.9-174.6-162.414.2000112.3V197 L206 V242 T243 G244V197-N208 HydrophobicContact CB-CB 4.2Å; V197-N208 PolarHBondContact N-O 2.89Å; V197-N208 PolarHBondContact O-N 2.96Å; L206-N208 WeakPolarHBondContact CD1-O 3.38Å; N208-V242 PolarHBondContact ND2-O 2.85Å; N208-T243 VanDerWaalsContact ND2-C 3.26Å; N208-G244 WeakPolarHBondContact ND2-CA 3.44Å; N208-G244 PolarHBondContact ND2-N 3.02Å
209K97.9Very high94.2Very high99 Ų9955.1 Ų55.143%0.4328%0.278SS..EExtended strand (participates in β ladder)trans-122.3121168.5-63.8-165179.2-1660109.6E164 L195 L206E164-K209 PolarHBondContact O-NZ 2.95Å; E164-K209 WeakPolarHBondContact OE2-CE 3.38Å; E164-K209 IonicContact OE2-NZ 2.62Å; E164-K209 PolarHBondContact OE2-NZ 2.59Å; L195-K209 CarbonylContact O-C 3.58Å; L195-K209 WeakPolarHBondContact O-CA 3.42Å; L206-K209 HydrophobicContact CD1-CG 4.27Å; L206-K209 HydrophobicContact CD2-CD 4.21Å; L206-K209 HydrophobicContact CD2-CG 3.9Å
210I97.8Very high94.3Very high7 Ų753 Ų534%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-107117.3179.4-53.9173.4000107.7N194 L195 V197 Y239N194-I210 WeakPolarHBondContact CA-O 3.41Å; L195-I210 HydrophobicContact CB-CB 4.15Å; L195-I210 HydrophobicContact CD1-CB 4.47Å; L195-I210 PolarHBondContact N-O 3.29Å; L195-I210 PolarHBondContact O-N 2.86Å; V197-I210 HydrophobicContact CG2-CD1 4.2Å; I210-Y239 HydrophobicContact CD1-CD1 4.34Å; I210-Y239 HydrophobicContact CD1-CG 4.03Å; I210-Y239 HydrophobicContact CG2-CD1 3.66Å; I210-Y239 HydrophobicContact CG2-CE1 3.54Å; I210-Y239 HydrophobicContact CG2-CE2 4.49Å; I210-Y239 HydrophobicContact CG2-CG 4.18Å
211P94.3Very high94.5Very high65 Ų6554 Ų5442%0.42227%0.273SS..  trans-71.1134.8-177.127.2-33.1000112.1N194 F213N194-P211 WeakPolarHBondContact OD1-CA 3.44Å; P211-F213 HydrophobicContact CB-CE1 4.39Å; P211-F213 HydrophobicContact CB-CZ 4.3Å; P211-F213 HydrophobicContact CG-CE1 4.29Å; P211-F213 HydrophobicContact CG-CE2 4.15Å; P211-F213 HydrophobicContact CG-CZ 3.82Å
212G80.4Confident94.8Very high0 Ų053.2 Ų53.20%027%0.265CS..  trans-85.3-13.2179.500000115.6G193 N194 D214 M215G193-G212 WeakPolarHBondContact O-CA 3.15Å; N194-G212 PolarHBondContact OD1-N 3.4Å; G212-D214 VanDerWaalsContact C-N 3.32Å; G212-D214 PolarHBondContact O-N 3.01Å; G212-M215 VanDerWaalsContact O-CE 3.25Å; G212-M215 WeakPolarHBondContact O-CE 3.5Å; G212-M215 PolarHBondContact O-N 3.38Å
213F85.8Confident95.1Very high145 Ų14545 Ų4564%0.63623%0.226SC*.THydrogen-bonded Turntrans51.846.5-175.2-52-77.6000113.2P211 M215P211-F213 HydrophobicContact CB-CE1 4.39Å; P211-F213 HydrophobicContact CB-CZ 4.3Å; P211-F213 HydrophobicContact CG-CE1 4.29Å; P211-F213 HydrophobicContact CG-CE2 4.15Å; P211-F213 HydrophobicContact CG-CZ 3.82Å; F213-M215 VanDerWaalsContact C-N 3.25Å; F213-M215 HydrophobicContact CB-CE 4.13Å; F213-M215 PolarHBondContact O-N 3.13Å
214D89.2Confident95.2Very high149 Ų14945.1 Ų45.180%0.79722%0.222SC*.THydrogen-bonded Turntrans60.628.7176.3-54.8-38.5000114.5S192 G212S192-D214 WeakPolarHBondContact O-CA 3.32Å; S192-D214 PolarHBondContact O-N 3.36Å; G212-D214 VanDerWaalsContact C-N 3.32Å; G212-D214 PolarHBondContact O-N 3.01Å
215M92.2Very high95.1Very high39 Ų3945.7 Ų45.719%0.19223%0.231CC..  trans-110.7109.1172.3-69.4174.9-69.300109.5S192 G193 G212 F213 C217 Y231 T233S192-M215 PolarHBondContact O-N 3.2Å; G193-M215 WeakPolarHBondContact CA-O 3.48Å; G193-M215 PolarHBondContact N-O 2.86Å; G212-M215 VanDerWaalsContact O-CE 3.25Å; G212-M215 WeakPolarHBondContact O-CE 3.5Å; G212-M215 PolarHBondContact O-N 3.38Å; F213-M215 VanDerWaalsContact C-N 3.25Å; F213-M215 HydrophobicContact CB-CE 4.13Å; F213-M215 PolarHBondContact O-N 3.13Å; M215-C217 PolarHBondContact O-N 3.17Å; M215-Y231 HydrophobicContact CB-CD1 4Å; M215-Y231 VanDerWaalsContact O-CD1 3.27Å; M215-Y231 WeakPolarHBondContact O-CD1 3.4Å; M215-T233 HydrophobicContact CG-CG2 4Å; M215-T233 HydrophobicContact SD-CG2 3.76Å
216S94.9Very high95Very high15 Ų1539.7 Ų39.711%0.10520%0.203CC..  trans-51.6126.9179.2179.50000112.1D191 Y231 G232D191-S216 WeakPolarHBondContact O-CA 3.39Å; D191-S216 WeakPolarHBondContact O-CB 3.25Å; D191-S216 WeakPolarHBondContact OD1-CB 3.18Å; D191-S216 PolarHBondContact OD1-OG 2.92Å; S216-Y231 WeakPolarHBondContact O-CA 3.09Å; S216-G232 PolarHBondContact O-N 3.04Å
217C97.4Very high95Very high0 Ų036.9 Ų36.90%019%0.189CC..EExtended strand (participates in β ladder)trans-97.4104.2175.5175.70000108.2T170 A189 L195 M215 G230 Y231T170-C217 WeakPolarHBondContact CB-O 3.23Å; T170-C217 PolarHBondContact OG1-O 3.37Å; A189-C217 HydrophobicContact CB-CB 4Å; L195-C217 HydrophobicContact CD2-CB 4.2Å; M215-C217 PolarHBondContact O-N 3.17Å; C217-G230 CarbonylContact C-O 3.22Å; C217-Y231 HydrophobicContact CB-CD1 4.03Å; C217-Y231 HydrophobicContact CB-CE1 3.81Å
218S96.9Very high95.1Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-85.3-20.4-174.2370000114N19 G230 W256 I257N19-S218 PolarHBondContact ND2-O 2.81Å; S218-G230 PolarHBondContact N-O 2.86Å; S218-G230 PolarHBondContact OG-O 2.77Å; S218-W256 VanDerWaalsContact CB-NE1 3.34Å; S218-W256 VanDerWaalsContact OG-CD1 3.31Å; S218-W256 PolarHBondContact OG-NE1 3.17Å; S218-W256 VanDerWaalsContact OG-NE1 3.13Å; S218-I257 WeakPolarHBondContact CB-O 3.15Å; S218-I257 PolarHBondContact OG-O 2.98Å
219S98.4Very high95.1Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-151.1141.5172-169.90000112.2N19 D171 G230 L260N19-S219 PolarHBondContact ND2-OG 2.84Å; N19-S219 PolarHBondContact OD1-OG 2.88Å; N19-S219 VanDerWaalsContact OD1-OG 3.05Å; D171-S219 VanDerWaalsContact OD2-CA 3.26Å; D171-S219 WeakPolarHBondContact OD2-CA 3.47Å; D171-S219 PolarHBondContact OD2-OG 2.99Å; S219-G230 PolarHBondContact O-N 2.83Å; S219-L260 PolarHBondContact OG-N 3.18Å
220V98.8Very high95.1Very high0 Ų027.6 Ų27.60%014%0.144CC..EExtended strand (participates in β ladder)trans-131.2147.517971.80000110.7D171 A173 V187 A189 L195 V227 V228D171-V220 HydrophobicContact CB-CG1 4.16Å; D171-V220 PolarHBondContact OD2-N 2.9Å; A173-V220 HydrophobicContact CB-CG1 4.34Å; A173-V220 VanDerWaalsContact CB-O 3.23Å; A173-V220 WeakPolarHBondContact CB-O 3.45Å; V187-V220 HydrophobicContact CB-CG2 4.39Å; V187-V220 HydrophobicContact CG1-CB 4.38Å; V187-V220 HydrophobicContact CG1-CG1 3.92Å; V187-V220 HydrophobicContact CG1-CG2 3.6Å; V187-V220 HydrophobicContact CG2-CG2 3.83Å; A189-V220 HydrophobicContact CB-CB 4.17Å; A189-V220 HydrophobicContact CB-CG1 4.09Å; L195-V220 HydrophobicContact CD2-CG2 4.43Å; V220-V227 HydrophobicContact CG2-CG1 3.63Å; V220-V228 CarbonylContact C-O 3.55Å; V220-V228 VanDerWaalsContact CA-O 3.31Å; V220-V228 WeakPolarHBondContact CA-O 3.42Å
221K98.6Very high95.1Very high22 Ų2227.2 Ų27.210%0.09614%0.142CC..EExtended strand (participates in β ladder)trans-136.7154.5172.2-62.6-69.9159.3-1010110.5D171 A173 V227 V228 L260 I262D171-K221 IonicContact OD2-NZ 3.75Å; D171-K221 PolarHBondContact OD2-NZ 2.78Å; A173-K221 HydrophobicContact CB-CD 4.22Å; K221-V227 CarbonylContact O-C 3.56Å; K221-V227 WeakPolarHBondContact O-CA 3.33Å; K221-V228 HydrophobicContact CB-CB 4.33Å; K221-V228 PolarHBondContact N-O 3.47Å; K221-V228 PolarHBondContact O-N 2.81Å; K221-L260 WeakPolarHBondContact CE-O 3.3Å; K221-L260 HydrophobicContact CG-CB 4.09Å; K221-I262 HydrophobicContact CB-CD1 3.66Å; K221-I262 HydrophobicContact CB-CG1 4.15Å; K221-I262 HydrophobicContact CG-CD1 4.39Å; K221-I262 HydrophobicContact CG-CG1 4.35Å
222L97.8Very high95.1Very high1 Ų125.2 Ų25.21%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-124.6121.1175-178.559.8000108.9E175 C176 A184 V187 T226 V227 A241E175-L222 WeakPolarHBondContact CA-O 3.42Å; E175-L222 HydrophobicContact CB-CD2 3.93Å; E175-L222 HydrophobicContact CB-CG 4.08Å; C176-L222 PolarHBondContact N-O 2.97Å; C176-L222 VanDerWaalsContact N-O 3.11Å; C176-L222 PolarHBondContact SG-O 2.94Å; A184-L222 HydrophobicContact CB-CD2 4.32Å; V187-L222 HydrophobicContact CG1-CB 3.92Å; L222-T226 WeakPolarHBondContact CA-O 3.43Å; L222-V227 HydrophobicContact CD1-CG2 4.01Å; L222-A241 HydrophobicContact CD1-CB 4.06Å
223W96.6Very high95.9Very high6 Ų628.3 Ų28.32%0.02315%0.152CC..EExtended strand (participates in β ladder)trans-142.2121-179.8179.880.9000110.7E175 G225 T226 I262 P264 L283 M285E175-W223 WeakPolarHBondContact OE1-CA 3.31Å; W223-G225 PolarHBondContact O-N 3.36Å; W223-T226 PolarHBondContact N-O 2.86Å; W223-T226 VanDerWaalsContact O-CB 3.31Å; W223-T226 WeakPolarHBondContact O-CB 3.36Å; W223-T226 PolarHBondContact O-N 3.4Å; W223-I262 HydrophobicContact CB-CD1 3.57Å; W223-I262 HydrophobicContact CB-CG2 4.33Å; W223-I262 HydrophobicContact CG-CD1 4.27Å; W223-I262 HydrophobicContact CG-CG2 4Å; W223-P264 PolarHBondContact NE1-O 3.12Å; W223-L283 HydrophobicContact CE3-CB 4.18Å; W223-L283 HydrophobicContact CE3-CD1 4.16Å; W223-L283 HydrophobicContact CH2-CB 4.15Å; W223-L283 WeakPolarHBondContact CH2-O 3.43Å; W223-L283 HydrophobicContact CZ3-CB 3.68Å; W223-M285 HydrophobicContact CZ3-CB 4.45Å
224K94.2Very high96.4Very high105 Ų10521.4 Ų21.446%0.45712%0.122SC..THydrogen-bonded Turntrans48.945.2-178.6-60.5-175.6178.9175.30112.4E175 T226 M285E175-K224 PolarHBondContact OE1-N 2.9Å; E175-K224 PolarHBondContact OE2-N 3.49Å; K224-T226 PolarHBondContact O-N 3.02Å; K224-M285 WeakPolarHBondContact O-CE 3.36Å
225G93.8Very high96.8Very high25 Ų2516 Ų1626%0.2589%0.092SC..THydrogen-bonded Turntrans72.212.9-179.600000114.8E175 W223 A241E175-G225 PolarHBondContact OE2-N 2.87Å; W223-G225 PolarHBondContact O-N 3.36Å; G225-A241 WeakPolarHBondContact O-CB 3.44Å; G225-A241 PolarHBondContact O-N 3.03Å
226T96.4Very high97.1Very high0 Ų014.1 Ų14.10%08%0.083CC..EExtended strand (participates in β ladder)trans-109.2125.3174.4-54.50000110.1L222 W223 K224 L238 Y239 M285 V292L222-T226 WeakPolarHBondContact CA-O 3.43Å; W223-T226 PolarHBondContact N-O 2.86Å; W223-T226 VanDerWaalsContact O-CB 3.31Å; W223-T226 WeakPolarHBondContact O-CB 3.36Å; W223-T226 PolarHBondContact O-N 3.4Å; K224-T226 PolarHBondContact O-N 3.02Å; T226-L238 HydrophobicContact CG2-CB 4.22Å; T226-Y239 CarbonylContact C-O 3.57Å; T226-Y239 WeakPolarHBondContact CA-O 3.48Å; T226-M285 VanDerWaalsContact OG1-CE 3.31Å; T226-M285 WeakPolarHBondContact OG1-CE 3.35Å; T226-V292 HydrophobicContact CG2-CB 4.31Å; T226-V292 HydrophobicContact CG2-CG1 4.46Å; T226-V292 HydrophobicContact CG2-CG2 4.01Å; T226-V292 VanDerWaalsContact OG1-CG2 3.22Å; T226-V292 WeakPolarHBondContact OG1-CG2 3.36Å
227V98.2Very high97.3Very high0 Ų014.4 Ų14.40%08%0.082CC..EExtended strand (participates in β ladder)trans-84.7124.4171.9177.80000108.7V187 L195 V197 V220 K221 L222 L238 Y239 A241V187-V227 HydrophobicContact CB-CG2 4.35Å; V187-V227 HydrophobicContact CG2-CG1 3.9Å; V187-V227 HydrophobicContact CG2-CG2 4.03Å; L195-V227 HydrophobicContact CD1-CG1 3.81Å; V197-V227 HydrophobicContact CG2-CG2 3.97Å; V220-V227 HydrophobicContact CG2-CG1 3.63Å; K221-V227 CarbonylContact O-C 3.56Å; K221-V227 WeakPolarHBondContact O-CA 3.33Å; L222-V227 HydrophobicContact CD1-CG2 4.01Å; V227-L238 WeakPolarHBondContact O-CA 3.44Å; V227-Y239 PolarHBondContact N-O 2.85Å; V227-Y239 PolarHBondContact O-N 3.37Å; V227-A241 HydrophobicContact CG2-CB 3.9Å
228V98.6Very high97.3Very high0 Ų014.4 Ų14.40%08%0.082CC..EExtended strand (participates in β ladder)trans-106.7112.3173-1710000107.9V220 K221 I236 L238 L260 I262 L269 L283V220-V228 CarbonylContact C-O 3.55Å; V220-V228 VanDerWaalsContact CA-O 3.31Å; V220-V228 WeakPolarHBondContact CA-O 3.42Å; K221-V228 HydrophobicContact CB-CB 4.33Å; K221-V228 PolarHBondContact N-O 3.47Å; K221-V228 PolarHBondContact O-N 2.81Å; V228-I236 HydrophobicContact CG1-CG2 3.81Å; V228-L238 HydrophobicContact CB-CD2 3.97Å; V228-L238 HydrophobicContact CG1-CD2 3.66Å; V228-L238 HydrophobicContact CG2-CD2 3.67Å; V228-L260 HydrophobicContact CG1-CD1 3.96Å; V228-I262 HydrophobicContact CG2-CD1 3.88Å; V228-L269 HydrophobicContact CG1-CD1 3.9Å; V228-L269 HydrophobicContact CG1-CD2 3.81Å; V228-L283 HydrophobicContact CG2-CD1 4.1Å
229A98.5Very high97.3Very high0 Ų014.7 Ų14.70%08%0.083CC..EExtended strand (participates in β ladder)trans-113.4130.5-178.700000111L195 Y231 I236 R237 Y239L195-A229 HydrophobicContact CD1-CB 3.84Å; L195-A229 HydrophobicContact CD2-CB 4.48Å; A229-Y231 HydrophobicContact CB-CD2 4.48Å; A229-Y231 HydrophobicContact CB-CE2 3.58Å; A229-I236 CarbonylContact O-C 3.6Å; A229-I236 WeakPolarHBondContact O-CA 3.27Å; A229-R237 PolarHBondContact N-O 3.29Å; A229-R237 PolarHBondContact O-N 2.9Å; A229-Y239 HydrophobicContact CB-CE2 4.18Å
230G98.3Very high97.2Very high0 Ų016.2 Ų16.20%09%0.09CC..EExtended strand (participates in β ladder)trans-108.3127176.500000110.5C217 S218 S219C217-G230 CarbonylContact C-O 3.22Å; S218-G230 PolarHBondContact N-O 2.86Å; S218-G230 PolarHBondContact OG-O 2.77Å; S219-G230 PolarHBondContact O-N 2.83Å
231Y97.8Very high97Very high0 Ų016.3 Ų16.30%09%0.091CC..EExtended strand (participates in β ladder)trans-110.5160.8-170.4-66.5-84.9000113.5M215 S216 C217 A229 T233 G234 Q235 R237 Y239 I257M215-Y231 HydrophobicContact CB-CD1 4Å; M215-Y231 VanDerWaalsContact O-CD1 3.27Å; M215-Y231 WeakPolarHBondContact O-CD1 3.4Å; S216-Y231 WeakPolarHBondContact O-CA 3.09Å; C217-Y231 HydrophobicContact CB-CD1 4.03Å; C217-Y231 HydrophobicContact CB-CE1 3.81Å; A229-Y231 HydrophobicContact CB-CD2 4.48Å; A229-Y231 HydrophobicContact CB-CE2 3.58Å; Y231-T233 PolarHBondContact O-N 3.2Å; Y231-G234 PolarHBondContact O-N 2.84Å; Y231-Q235 PolarHBondContact N-O 2.78Å; Y231-R237 HydrophobicContact CD2-CG 4.11Å; Y231-R237 HydrophobicContact CE2-CB 3.88Å; Y231-R237 HydrophobicContact CE2-CG 3.69Å; Y231-Y239 PolarHBondContact OH-OH 2.8Å; Y231-I257 PolarHBondContact O-N 2.8Å
232G95.4Very high96.8Very high23 Ų2318 Ų1824%0.23710%0.103CC..THydrogen-bonded Turntrans-61.5-20.2172.200000115.2S216 G234 W256S216-G232 PolarHBondContact O-N 3.04Å; G232-G234 PolarHBondContact O-N 3.42Å; G232-W256 VanDerWaalsContact CA-CG 3.49Å; G232-W256 VanDerWaalsContact CA-NE1 3.31Å; G232-W256 WeakPolarHBondContact O-CA 3.22Å
233T95.8Very high96.6Very high64 Ų6421.3 Ų21.339%0.39312%0.123SC..THydrogen-bonded Turntrans-75.1-7.6173.758.90000113.7M215 Y231 Q235M215-T233 HydrophobicContact CG-CG2 4Å; M215-T233 HydrophobicContact SD-CG2 3.76Å; Y231-T233 PolarHBondContact O-N 3.2Å; T233-Q235 VanDerWaalsContact C-N 3.3Å; T233-Q235 PolarHBondContact OG1-N 3.32Å
234G97.3Very high96.6Very high1 Ų121.9 Ų21.91%0.0113%0.131CC..SBendtrans83.44.1-172.400000114.1Y231 G232 A252 H253 R255Y231-G234 PolarHBondContact O-N 2.84Å; G232-G234 PolarHBondContact O-N 3.42Å; G234-A252 PolarHBondContact O-N 3.23Å; G234-A252 VanDerWaalsContact O-N 3.17Å; G234-H253 WeakPolarHBondContact CA-O 3.31Å; G234-H253 PolarHBondContact O-N 2.76Å; G234-R255 WeakPolarHBondContact CA-O 3.08Å
235Q97.8Very high96.6Very high35 Ų3521.5 Ų21.516%0.16413%0.133CC..EExtended strand (participates in β ladder)trans-82.1141.8175.1-77.6175.758.500112.4Y231 T233 V250 N251 I257Y231-Q235 PolarHBondContact N-O 2.78Å; T233-Q235 VanDerWaalsContact C-N 3.3Å; T233-Q235 PolarHBondContact OG1-N 3.32Å; Q235-V250 CarbonylContact C-O 3.54Å; Q235-V250 VanDerWaalsContact CA-O 3.23Å; Q235-V250 WeakPolarHBondContact CA-O 3.48Å; Q235-N251 VanDerWaalsContact CG-OD1 3.25Å; Q235-N251 WeakPolarHBondContact CG-OD1 3.5Å; Q235-I257 VanDerWaalsContact O-CD1 3.28Å; Q235-I257 WeakPolarHBondContact O-CD1 3.14Å
236I98.5Very high96.7Very high0 Ų023.5 Ų23.50%014%0.14CC..EExtended strand (participates in β ladder)trans-102.9132.7160.8-62.9171.3000107.4V228 A229 L238 V250 A252 I257 L260 L269 W281 I294V228-I236 HydrophobicContact CG1-CG2 3.81Å; A229-I236 CarbonylContact O-C 3.6Å; A229-I236 WeakPolarHBondContact O-CA 3.27Å; I236-L238 HydrophobicContact CG2-CD2 4.32Å; I236-V250 HydrophobicContact CB-CB 4.49Å; I236-V250 PolarHBondContact N-O 2.81Å; I236-V250 PolarHBondContact O-N 3.31Å; I236-A252 HydrophobicContact CB-CB 4.39Å; I236-A252 HydrophobicContact CD1-CB 3.55Å; I236-A252 HydrophobicContact CG1-CB 3.71Å; I236-I257 HydrophobicContact CG1-CD1 3.66Å; I236-L260 HydrophobicContact CD1-CD2 4.23Å; I236-L260 HydrophobicContact CG1-CD2 4.41Å; I236-L269 HydrophobicContact CD1-CD2 4.25Å; I236-L269 HydrophobicContact CG2-CD2 4.35Å; I236-W281 HydrophobicContact CD1-CZ2 4.43Å; I236-I294 HydrophobicContact CG2-CD1 4.32Å
237R98.1Very high96.7Very high20 Ų2025.9 Ų25.98%0.07515%0.151CC..EExtended strand (participates in β ladder)trans-123.1138.4172.5-56.3-177.7175.5173.8-12.4110.9A229 Y231 Y239 A248 E249A229-R237 PolarHBondContact N-O 3.29Å; A229-R237 PolarHBondContact O-N 2.9Å; Y231-R237 HydrophobicContact CD2-CG 4.11Å; Y231-R237 HydrophobicContact CE2-CB 3.88Å; Y231-R237 HydrophobicContact CE2-CG 3.69Å; R237-Y239 HydrophobicContact CB-CD2 4.31Å; R237-Y239 HydrophobicContact CB-CE2 3.49Å; R237-Y239 VanDerWaalsContact CB-CE2 3.49Å; R237-Y239 WeakPolarHBondContact CD-OH 3.36Å; R237-A248 WeakPolarHBondContact CA-O 3.39Å; R237-E249 HydrophobicContact CG-CB 4.41Å; R237-E249 HydrophobicContact CG-CG 4.06Å; R237-E249 IonicContact CZ-OE1 3.64Å; R237-E249 IonicContact NE-OE1 2.98Å; R237-E249 PolarHBondContact NE-OE1 3.24Å; R237-E249 IonicContact NH2-OE1 3.92Å
238L98.2Very high96.6Very high1 Ų126.9 Ų26.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-107.6124.6176.5-57.6-169.8000109.1T226 V227 V228 I236 V246 H247 A248 L283 V292 I294T226-L238 HydrophobicContact CG2-CB 4.22Å; V227-L238 WeakPolarHBondContact O-CA 3.44Å; V228-L238 HydrophobicContact CB-CD2 3.97Å; V228-L238 HydrophobicContact CG1-CD2 3.66Å; V228-L238 HydrophobicContact CG2-CD2 3.67Å; I236-L238 HydrophobicContact CG2-CD2 4.32Å; L238-V246 CarbonylContact O-C 3.43Å; L238-V246 WeakPolarHBondContact O-CA 3.35Å; L238-H247 HydrophobicContact CB-CB 4.16Å; L238-H247 PolarHBondContact O-N 2.8Å; L238-A248 HydrophobicContact CB-CB 4.27Å; L238-A248 HydrophobicContact CD1-CB 4.11Å; L238-A248 HydrophobicContact CG-CB 4.18Å; L238-A248 PolarHBondContact N-O 3.45Å; L238-L283 HydrophobicContact CD1-CD2 3.97Å; L238-L283 HydrophobicContact CD2-CD2 4.39Å; L238-V292 HydrophobicContact CD1-CB 4.3Å; L238-V292 HydrophobicContact CD1-CG1 3.75Å; L238-I294 HydrophobicContact CD1-CB 3.95Å; L238-I294 HydrophobicContact CD1-CG2 4.02Å
239Y97.1Very high96.5Very high6 Ų632.1 Ų32.12%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-120.8141.6176.9-54.7-92.5000110.4L195 I210 T226 V227 A229 Y231 R237 A241 I245 V246L195-Y239 HydrophobicContact CD1-CD2 4.09Å; L195-Y239 HydrophobicContact CD1-CE2 3.98Å; I210-Y239 HydrophobicContact CD1-CD1 4.34Å; I210-Y239 HydrophobicContact CD1-CG 4.03Å; I210-Y239 HydrophobicContact CG2-CD1 3.66Å; I210-Y239 HydrophobicContact CG2-CE1 3.54Å; I210-Y239 HydrophobicContact CG2-CE2 4.49Å; I210-Y239 HydrophobicContact CG2-CG 4.18Å; T226-Y239 CarbonylContact C-O 3.57Å; T226-Y239 WeakPolarHBondContact CA-O 3.48Å; V227-Y239 PolarHBondContact N-O 2.85Å; V227-Y239 PolarHBondContact O-N 3.37Å; A229-Y239 HydrophobicContact CB-CE2 4.18Å; Y231-Y239 PolarHBondContact OH-OH 2.8Å; R237-Y239 HydrophobicContact CB-CD2 4.31Å; R237-Y239 HydrophobicContact CB-CE2 3.49Å; R237-Y239 VanDerWaalsContact CB-CE2 3.49Å; R237-Y239 WeakPolarHBondContact CD-OH 3.36Å; Y239-A241 PolarHBondContact O-N 3.11Å; Y239-I245 CarbonylContact C-O 3.44Å; Y239-I245 VanDerWaalsContact CA-O 3.3Å; Y239-I245 WeakPolarHBondContact CA-O 3.5Å; Y239-V246 HydrophobicContact CD1-CG2 3.69Å; Y239-V246 HydrophobicContact CE1-CG2 3.46Å; Y239-V246 VanDerWaalsContact CE1-CG2 3.46Å
240E95.6Very high96.5Very high32 Ų3233.5 Ų33.515%0.1519%0.192CC..EExtended strand (participates in β ladder)trans-65.4124.2160.5-161.5-144.5137.400108.6V242 T243 G244 I245 H247E240-V242 VanDerWaalsContact C-N 3.32Å; E240-V242 PolarHBondContact O-N 2.78Å; E240-T243 WeakPolarHBondContact OE2-CB 3.18Å; E240-T243 WeakPolarHBondContact OE2-CG2 3.49Å; E240-T243 PolarHBondContact OE2-OG1 2.68Å; E240-G244 VanDerWaalsContact O-CA 3.25Å; E240-G244 WeakPolarHBondContact O-CA 3.26Å; E240-G244 PolarHBondContact O-N 3Å; E240-I245 PolarHBondContact N-O 2.92Å; E240-H247 WeakPolarHBondContact CB-NE2 3.47Å
241A95.3Very high96.5Very high1 Ų140.1 Ų40.11%0.00823%0.227CC..THydrogen-bonded Turntrans-61.9-39-170.600000113A184 V197 L222 G225 V227 Y239A184-A241 HydrophobicContact CB-CB 4.08Å; V197-A241 HydrophobicContact CG1-CB 3.89Å; L222-A241 HydrophobicContact CD1-CB 4.06Å; G225-A241 WeakPolarHBondContact O-CB 3.44Å; G225-A241 PolarHBondContact O-N 3.03Å; V227-A241 HydrophobicContact CG2-CB 3.9Å; Y239-A241 PolarHBondContact O-N 3.11Å
242V93.6Very high96.5Very high58 Ų5840.2 Ų40.235%0.35223%0.228SC..THydrogen-bonded Turntrans-79.6-45.9-172.8-177.70000111.7I183 N208 E240I183-V242 HydrophobicContact CB-CG2 4.05Å; I183-V242 HydrophobicContact CD1-CG2 4.37Å; I183-V242 HydrophobicContact CG2-CG2 3.67Å; N208-V242 PolarHBondContact ND2-O 2.85Å; E240-V242 VanDerWaalsContact C-N 3.32Å; E240-V242 PolarHBondContact O-N 2.78Å
243T94.3Very high96.6Very high71 Ų7139.8 Ų39.844%0.43622%0.22SC..THydrogen-bonded Turntrans-91.7-22.2-176.7680000113.5N208 E240 I245N208-T243 VanDerWaalsContact ND2-C 3.26Å; E240-T243 WeakPolarHBondContact OE2-CB 3.18Å; E240-T243 WeakPolarHBondContact OE2-CG2 3.49Å; E240-T243 PolarHBondContact OE2-OG1 2.68Å; T243-I245 HydrophobicContact CG2-CD1 4.38Å; T243-I245 PolarHBondContact O-N 3.41Å; T243-I245 WeakPolarHBondContact OG1-CB 3.48Å; T243-I245 WeakPolarHBondContact OG1-CD1 3.44Å; T243-I245 WeakPolarHBondContact OG1-CG1 3.35Å; T243-I245 PolarHBondContact OG1-N 3.4Å; T243-I245 VanDerWaalsContact OG1-N 3.15Å
244G95.4Very high96.7Very high18 Ų1840.8 Ų40.819%0.18624%0.235CC..  trans74.310.2-172.300000113.6N208 E240 V246N208-G244 WeakPolarHBondContact ND2-CA 3.44Å; N208-G244 PolarHBondContact ND2-N 3.02Å; E240-G244 VanDerWaalsContact O-CA 3.25Å; E240-G244 WeakPolarHBondContact O-CA 3.26Å; E240-G244 PolarHBondContact O-N 3Å; G244-V246 PolarHBondContact O-N 2.82Å
245I94.6Very high96.7Very high97 Ų9747.6 Ų47.650%0.49726%0.26SS..  trans-64132.6175.6-69.9169000109.3Y239 E240 T243 H247Y239-I245 CarbonylContact C-O 3.44Å; Y239-I245 VanDerWaalsContact CA-O 3.3Å; Y239-I245 WeakPolarHBondContact CA-O 3.5Å; E240-I245 PolarHBondContact N-O 2.92Å; T243-I245 HydrophobicContact CG2-CD1 4.38Å; T243-I245 PolarHBondContact O-N 3.41Å; T243-I245 WeakPolarHBondContact OG1-CB 3.48Å; T243-I245 WeakPolarHBondContact OG1-CD1 3.44Å; T243-I245 WeakPolarHBondContact OG1-CG1 3.35Å; T243-I245 PolarHBondContact OG1-N 3.4Å; T243-I245 VanDerWaalsContact OG1-N 3.15Å; I245-H247 PolarHBondContact O-N 3.36Å
246V95.6Very high96.6Very high66 Ų6649.5 Ų49.540%0.427%0.266SS..EExtended strand (participates in β ladder)trans-76.1121.2175.3-178.70000109.4L238 Y239 G244 E249L238-V246 CarbonylContact O-C 3.43Å; L238-V246 WeakPolarHBondContact O-CA 3.35Å; Y239-V246 HydrophobicContact CD1-CG2 3.69Å; Y239-V246 HydrophobicContact CE1-CG2 3.46Å; Y239-V246 VanDerWaalsContact CE1-CG2 3.46Å; G244-V246 PolarHBondContact O-N 2.82Å; V246-E249 HydrophobicContact CG1-CG 3.66Å
247H96Very high96.6Very high51 Ų5149.5 Ų49.524%0.23627%0.266CS..EExtended strand (participates in β ladder)trans-86.3-38.7170.9-69.1-47.4000112.2L238 E240 I245 N290 V292L238-H247 HydrophobicContact CB-CB 4.16Å; L238-H247 PolarHBondContact O-N 2.8Å; E240-H247 WeakPolarHBondContact CB-NE2 3.47Å; I245-H247 PolarHBondContact O-N 3.36Å; H247-N290 PolarHBondContact CE1-O 3.21Å; H247-N290 PolarHBondContact NE2-O 3.04Å; H247-V292 HydrophobicContact CB-CB 4.48Å
248A96.9Very high96.6Very high21 Ų2149.7 Ų49.717%0.17427%0.267CS..EExtended strand (participates in β ladder)trans-155.1148-178.600000112R237 L238 I294R237-A248 WeakPolarHBondContact CA-O 3.39Å; L238-A248 HydrophobicContact CB-CB 4.27Å; L238-A248 HydrophobicContact CD1-CB 4.11Å; L238-A248 HydrophobicContact CG-CB 4.18Å; L238-A248 PolarHBondContact N-O 3.45Å; A248-I294 HydrophobicContact CB-CG2 3.88Å
249E96.8Very high96.6Very high110 Ų11049.6 Ų49.651%0.51427%0.267SS..EExtended strand (participates in β ladder)trans-126.4124.7166.4-56.5-168139.200108.5R237 V246R237-E249 HydrophobicContact CG-CB 4.41Å; R237-E249 HydrophobicContact CG-CG 4.06Å; R237-E249 IonicContact CZ-OE1 3.64Å; R237-E249 IonicContact NE-OE1 2.98Å; R237-E249 PolarHBondContact NE-OE1 3.24Å; R237-E249 IonicContact NH2-OE1 3.92Å; V246-E249 HydrophobicContact CG1-CG 3.66Å
250V98Very high96.7Very high29 Ų2949.3 Ų49.318%0.17627%0.265CS..EExtended strand (participates in β ladder)trans-124.9122-174.1-1750000109.3Q235 I236 A252 W281 I294Q235-V250 CarbonylContact C-O 3.54Å; Q235-V250 VanDerWaalsContact CA-O 3.23Å; Q235-V250 WeakPolarHBondContact CA-O 3.48Å; I236-V250 HydrophobicContact CB-CB 4.49Å; I236-V250 PolarHBondContact N-O 2.81Å; I236-V250 PolarHBondContact O-N 3.31Å; V250-A252 HydrophobicContact CG1-CB 4.19Å; V250-A252 PolarHBondContact O-N 2.99Å; V250-W281 HydrophobicContact CG1-CH2 3.83Å; V250-W281 HydrophobicContact CG1-CZ3 3.81Å; V250-I294 HydrophobicContact CG2-CD1 4.34Å; V250-I294 HydrophobicContact CG2-CG2 3.45Å; V250-I294 VanDerWaalsContact CG2-CG2 3.45Å
251N97.9Very high96.8Very high138 Ų13849 Ų4974%0.73826%0.264SS*.EExtended strand (participates in β ladder)trans-73.675.6167.2-67.2-47.5000109.3Q235Q235-N251 VanDerWaalsContact CG-OD1 3.25Å; Q235-N251 WeakPolarHBondContact CG-OD1 3.5Å
252A98.2Very high97Very high3 Ų349.3 Ų49.33%0.02527%0.266CS..  trans-76.3-38.8-168.700000112.5G234 I236 V250 R279 W281G234-A252 PolarHBondContact O-N 3.23Å; G234-A252 VanDerWaalsContact O-N 3.17Å; I236-A252 HydrophobicContact CB-CB 4.39Å; I236-A252 HydrophobicContact CD1-CB 3.55Å; I236-A252 HydrophobicContact CG1-CB 3.71Å; V250-A252 HydrophobicContact CG1-CB 4.19Å; V250-A252 PolarHBondContact O-N 2.99Å; A252-R279 WeakPolarHBondContact O-CD 3.38Å; A252-R279 PolarHBondContact O-NE 2.91Å; A252-R279 VanDerWaalsContact O-NE 3.17Å; A252-R279 PolarHBondContact O-NH1 3.47Å; A252-W281 HydrophobicContact CB-CH2 3.94Å; A252-W281 HydrophobicContact CB-CZ2 3.56Å
253H98.4Very high97.2Very high13 Ų1346.6 Ų46.66%0.0625%0.249CC..  trans-134.1157.1-175.3-69.5-96000111.2G234 R255 I257 S271 A273 D275 L277 R279G234-H253 WeakPolarHBondContact CA-O 3.31Å; G234-H253 PolarHBondContact O-N 2.76Å; H253-R255 VanDerWaalsContact C-N 3.32Å; H253-I257 HydrophobicContact CB-CG1 4.29Å; H253-S271 PolarHBondContact NE2-OG 3.36Å; H253-A273 HydrophobicContact CB-CB 3.7Å; H253-A273 VanDerWaalsContact CG-CB 3.43Å; H253-A273 WeakPolarHBondContact ND1-CB 3.29Å; H253-D275 WeakPolarHBondContact CA-OD2 3.41Å; H253-D275 VanDerWaalsContact CB-OD2 3.31Å; H253-D275 WeakPolarHBondContact CB-OD2 3.3Å; H253-D275 IonicContact CE1-OD1 2.75Å; H253-D275 IonicContact CG-OD1 3.43Å; H253-D275 IonicContact CG-OD2 3.78Å; H253-D275 IonicContact ND1-OD1 3.59Å; H253-D275 PolarHBondContact ND1-OD1 3.34Å; H253-D275 IonicContact ND1-OD2 3.45Å; H253-D275 PolarHBondContact ND1-OD2 2.84Å; H253-L277 PolarHBondContact CE1-O 2.91Å; H253-L277 VanDerWaalsContact CE1-O 3.25Å; H253-R279 PolarHBondContact CE1-NH1 2.78Å; H253-R279 PolarHBondContact ND1-NH1 2.83Å
254A97.4Very high97.2Very high85 Ų8544.3 Ų44.370%0.70224%0.236SC*.SBendtrans-85.3-7.917700000113.1D275A254-D275 HydrophobicContact CB-CB 4.4Å; A254-D275 PolarHBondContact N-OD2 3.17Å
255R96.8Very high97.1Very high144 Ų14450.3 Ų50.354%0.54326%0.257SS..SBendtrans-143.2179.1-176.5-65.1-64.2-174.5118.9-2.1110.8G234 H253 I257 E274 D275G234-R255 WeakPolarHBondContact CA-O 3.08Å; H253-R255 VanDerWaalsContact C-N 3.32Å; R255-I257 PolarHBondContact O-N 2.84Å; R255-E274 HydrophobicContact CB-CB 3.9Å; R255-E274 HydrophobicContact CB-CG 4.47Å; R255-D275 HydrophobicContact CB-CB 4.02Å; R255-D275 HydrophobicContact CG-CB 4.06Å
256W96.8Very high97.2Very high76 Ų7647.4 Ų47.429%0.28825%0.245SC..  trans-53.2125.1-176.2-150.6-43.4000112Y18 S218 G232 Y258 A273 E274Y18-W256 WeakPolarHBondContact OH-CZ2 3.2Å; S218-W256 VanDerWaalsContact CB-NE1 3.34Å; S218-W256 VanDerWaalsContact OG-CD1 3.31Å; S218-W256 PolarHBondContact OG-NE1 3.17Å; S218-W256 VanDerWaalsContact OG-NE1 3.13Å; G232-W256 VanDerWaalsContact CA-CG 3.49Å; G232-W256 VanDerWaalsContact CA-NE1 3.31Å; G232-W256 WeakPolarHBondContact O-CA 3.22Å; W256-Y258 HydrophobicContact CB-CD2 4.26Å; W256-Y258 HydrophobicContact CB-CE2 4.02Å; W256-Y258 HydrophobicContact CG-CE2 4.3Å; W256-Y258 PolarHBondContact O-N 3.26Å; W256-A273 WeakPolarHBondContact O-CA 3.36Å; W256-A273 WeakPolarHBondContact O-CB 3.48Å; W256-E274 PolarHBondContact O-N 2.91Å
257I98.4Very high97.2Very high0 Ų044.3 Ų44.30%023%0.227CC..EExtended strand (participates in β ladder)trans-72.7117.8171-68.1161.9000108.6S218 Y231 Q235 I236 H253 R255 L260 A272 A273S218-I257 WeakPolarHBondContact CB-O 3.15Å; S218-I257 PolarHBondContact OG-O 2.98Å; Y231-I257 PolarHBondContact O-N 2.8Å; Q235-I257 VanDerWaalsContact O-CD1 3.28Å; Q235-I257 WeakPolarHBondContact O-CD1 3.14Å; I236-I257 HydrophobicContact CG1-CD1 3.66Å; H253-I257 HydrophobicContact CB-CG1 4.29Å; R255-I257 PolarHBondContact O-N 2.84Å; I257-L260 HydrophobicContact CG2-CD2 3.95Å; I257-L260 HydrophobicContact CG2-CG 4.14Å; I257-A272 CarbonylContact C-O 3.51Å; I257-A273 HydrophobicContact CG1-CB 4.39Å
258Y97.5Very high97.3Very high23 Ų2342.7 Ų42.79%0.0922%0.22CC..EExtended strand (participates in β ladder)trans-91.1-23.3179.7-95.3-104.4000113.1Y18 N19 W256 A272 E274 Q306 I307Y18-Y258 AromaticContact CD1-CD1 3.6Å; Y18-Y258 HydrophobicContact CD1-CD1 3.6Å; Y18-Y258 AromaticContact CD1-CE1 3.67Å; Y18-Y258 HydrophobicContact CD1-CE1 3.67Å; Y18-Y258 HydrophobicContact CD1-CG 4.13Å; Y18-Y258 HydrophobicContact CE1-CD1 4.16Å; Y18-Y258 AromaticContact CE1-CE1 3.82Å; Y18-Y258 HydrophobicContact CE1-CE1 3.82Å; Y18-Y258 HydrophobicContact CE1-CE2 4.44Å; Y18-Y258 AromaticContact CE1-CZ 3.97Å; N19-Y258 PolarHBondContact N-O 2.77Å; W256-Y258 HydrophobicContact CB-CD2 4.26Å; W256-Y258 HydrophobicContact CB-CE2 4.02Å; W256-Y258 HydrophobicContact CG-CE2 4.3Å; W256-Y258 PolarHBondContact O-N 3.26Å; Y258-A272 PolarHBondContact N-O 3.28Å; Y258-E274 HydrophobicContact CD2-CB 4.23Å; Y258-E274 HydrophobicContact CE2-CB 4.05Å; Y258-Q306 PolarHBondContact OH-NE2 2.95Å; Y258-I307 VanDerWaalsContact CB-O 3.3Å; Y258-I307 WeakPolarHBondContact CB-O 3.34Å
259S98.3Very high97.4Very high0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans-153.2138.1-177.3-157.30000112.9N19 A272 A310N19-S259 WeakPolarHBondContact OD1-CA 3.43Å; N19-S259 PolarHBondContact OD1-OG 2.57Å; S259-A272 PolarHBondContact N-O 3.25Å; S259-A272 PolarHBondContact O-N 2.98Å; S259-A310 PolarHBondContact OG-N 2.98Å; S259-A310 PolarHBondContact OG-O 2.91Å
260L98.8Very high97.5Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-117.3150.1163.8-65.1-179.4000110.3S219 K221 V228 I236 I257 L269 L270 K311S219-L260 PolarHBondContact OG-N 3.18Å; K221-L260 WeakPolarHBondContact CE-O 3.3Å; K221-L260 HydrophobicContact CG-CB 4.09Å; V228-L260 HydrophobicContact CG1-CD1 3.96Å; I236-L260 HydrophobicContact CD1-CD2 4.23Å; I236-L260 HydrophobicContact CG1-CD2 4.41Å; I257-L260 HydrophobicContact CG2-CD2 3.95Å; I257-L260 HydrophobicContact CG2-CG 4.14Å; L260-L269 HydrophobicContact CD2-CD1 4.35Å; L260-L270 VanDerWaalsContact CA-O 3.31Å; L260-L270 WeakPolarHBondContact CA-O 3.25Å; L260-K311 PolarHBondContact O-NZ 2.99Å; L260-K311 VanDerWaalsContact O-NZ 3.13Å
261D98.8Very high97.5Very high24 Ų2435 Ų3513%0.12818%0.179CC..EExtended strand (participates in β ladder)trans-152.5150.8169.8-154.744.4000112L269 L270 K311 F312D261-L269 CarbonylContact O-C 3.5Å; D261-L269 WeakPolarHBondContact O-CA 3.2Å; D261-L269 WeakPolarHBondContact O-CD1 3.14Å; D261-L270 HydrophobicContact CB-CB 4.2Å; D261-L270 PolarHBondContact N-O 3.3Å; D261-L270 PolarHBondContact O-N 3.24Å; D261-K311 HydrophobicContact CB-CD 3.8Å; D261-K311 WeakPolarHBondContact OD1-CD 3.27Å; D261-K311 IonicContact OD1-NZ 3.76Å; D261-K311 PolarHBondContact OD1-NZ 2.87Å; D261-K311 WeakPolarHBondContact OD2-CA 3.17Å; D261-K311 WeakPolarHBondContact OD2-CD 3.47Å; D261-F312 HydrophobicContact CB-CD2 4.31Å; D261-F312 PolarHBondContact OD2-N 2.86Å
262I98.5Very high97.6Very high9 Ų928.5 Ų28.55%0.04614%0.144CC..EExtended strand (participates in β ladder)trans-122.3131.8178.9-64.6177.2000108.6K221 W223 V228 P264 L268 L269 L283K221-I262 HydrophobicContact CB-CD1 3.66Å; K221-I262 HydrophobicContact CB-CG1 4.15Å; K221-I262 HydrophobicContact CG-CD1 4.39Å; K221-I262 HydrophobicContact CG-CG1 4.35Å; W223-I262 HydrophobicContact CB-CD1 3.57Å; W223-I262 HydrophobicContact CB-CG2 4.33Å; W223-I262 HydrophobicContact CG-CD1 4.27Å; W223-I262 HydrophobicContact CG-CG2 4Å; V228-I262 HydrophobicContact CG2-CD1 3.88Å; I262-P264 WeakPolarHBondContact O-CD 3.36Å; I262-L268 CarbonylContact C-O 3.6Å; I262-L268 WeakPolarHBondContact CA-O 3.42Å; I262-L269 HydrophobicContact CD1-CD1 4.33Å; I262-L269 HydrophobicContact CG1-CD1 3.71Å; I262-L283 HydrophobicContact CD1-CD1 4.11Å
263A97.7Very high97.6Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-82.9101.4162.900000107.6F265 S266 G267 L268 F312 G315A263-F265 VanDerWaalsContact C-N 3.3Å; A263-F265 PolarHBondContact O-N 3.19Å; A263-S266 WeakPolarHBondContact CB-OG 3.32Å; A263-S266 PolarHBondContact O-N 3.33Å; A263-G267 PolarHBondContact O-N 2.8Å; A263-L268 HydrophobicContact CB-CB 4.11Å; A263-L268 PolarHBondContact N-O 3.49Å; A263-F312 HydrophobicContact CB-CB 4.48Å; A263-F312 HydrophobicContact CB-CD1 4.39Å; A263-F312 HydrophobicContact CB-CD2 3.72Å; A263-F312 HydrophobicContact CB-CE2 3.92Å; A263-F312 HydrophobicContact CB-CG 3.96Å; A263-F312 HydrophobicContact CB-CZ 4.37Å; A263-F312 VanDerWaalsContact N-CD2 3.35Å; A263-G315 CarbonylContact C-O 3.58Å; A263-G315 WeakPolarHBondContact CB-O 3.5Å
264P94.8Very high97.5Very high24 Ų2430.7 Ų30.716%0.15615%0.154CC..THydrogen-bonded Turntrans-64-29.2-163.823.3-37.8000115.2C176 W223 I262C176-P264 HydrophobicContact CB-CB 4.48Å; C176-P264 WeakPolarHBondContact O-CB 3.41Å; W223-P264 PolarHBondContact NE1-O 3.12Å; I262-P264 WeakPolarHBondContact O-CD 3.36Å
265F94.2Very high97.4Very high144 Ų14428.1 Ų28.163%0.63213%0.128SC*.THydrogen-bonded Turntrans-82.8-37.8-175.7-54.1-37.4000112.2A263 G315A263-F265 VanDerWaalsContact C-N 3.3Å; A263-F265 PolarHBondContact O-N 3.19Å; F265-G315 WeakPolarHBondContact CB-O 3.37Å; F265-G315 PolarHBondContact N-O 3.25Å
266S95.4Very high97.4Very high35 Ų3522.6 Ų22.625%0.24511%0.111CC..THydrogen-bonded Turntrans-90.7-14.2179.259.30000113.9A263 L268 H282 D316A263-S266 WeakPolarHBondContact CB-OG 3.32Å; A263-S266 PolarHBondContact O-N 3.33Å; S266-L268 PolarHBondContact O-N 3.33Å; S266-L268 WeakPolarHBondContact OG-CG 3.31Å; S266-H282 PolarHBondContact O-CD2 2.83Å; S266-H282 PolarHBondContact O-NE2 2.93Å; S266-D316 WeakPolarHBondContact CB-O 3.32Å; S266-D316 VanDerWaalsContact OG-C 3.23Å; S266-D316 PolarHBondContact OG-O 3.49Å
267G96.3Very high97.5Very high1 Ų120.6 Ų20.61%0.0111%0.106CC..THydrogen-bonded Turntrans69.119-174.700000112.9A263 L283A263-G267 PolarHBondContact O-N 2.8Å; G267-L283 WeakPolarHBondContact O-CB 3.23Å; G267-L283 PolarHBondContact O-N 2.88Å
268L98.2Very high97.5Very high17 Ų1720.7 Ų20.79%0.08911%0.106CC..EExtended strand (participates in β ladder)trans-74.8133.4172.7-63.7172.9000109.9I262 A263 S266 V280 W281 H282 F312I262-L268 CarbonylContact C-O 3.6Å; I262-L268 WeakPolarHBondContact CA-O 3.42Å; A263-L268 HydrophobicContact CB-CB 4.11Å; A263-L268 PolarHBondContact N-O 3.49Å; S266-L268 PolarHBondContact O-N 3.33Å; S266-L268 WeakPolarHBondContact OG-CG 3.31Å; L268-V280 HydrophobicContact CB-CG1 4.34Å; L268-V280 HydrophobicContact CD2-CG1 4.01Å; L268-W281 CarbonylContact C-O 3.43Å; L268-W281 VanDerWaalsContact CA-O 3.27Å; L268-W281 WeakPolarHBondContact CA-O 3.13Å; L268-W281 WeakPolarHBondContact CD2-O 3.3Å; L268-H282 HydrophobicContact CD2-CB 4.29Å; L268-F312 HydrophobicContact CB-CE1 4.39Å; L268-F312 HydrophobicContact CB-CE2 4.15Å; L268-F312 HydrophobicContact CB-CZ 3.67Å; L268-F312 WeakPolarHBondContact O-CE2 3.28Å
269L98.8Very high97.5Very high0 Ų021.5 Ų21.50%011%0.109CC..EExtended strand (participates in β ladder)trans-107.1131.8171.8171.272.6000108.5V228 I236 L260 D261 I262 V280 W281 L283 I294V228-L269 HydrophobicContact CG1-CD1 3.9Å; V228-L269 HydrophobicContact CG1-CD2 3.81Å; I236-L269 HydrophobicContact CD1-CD2 4.25Å; I236-L269 HydrophobicContact CG2-CD2 4.35Å; L260-L269 HydrophobicContact CD2-CD1 4.35Å; D261-L269 CarbonylContact O-C 3.5Å; D261-L269 WeakPolarHBondContact O-CA 3.2Å; D261-L269 WeakPolarHBondContact O-CD1 3.14Å; I262-L269 HydrophobicContact CD1-CD1 4.33Å; I262-L269 HydrophobicContact CG1-CD1 3.71Å; L269-V280 CarbonylContact O-C 3.53Å; L269-V280 WeakPolarHBondContact O-CA 3.41Å; L269-W281 HydrophobicContact CB-CB 4.18Å; L269-W281 HydrophobicContact CD2-CB 4.46Å; L269-W281 HydrophobicContact CD2-CG 4.37Å; L269-W281 PolarHBondContact N-O 2.58Å; L269-W281 PolarHBondContact O-N 3.24Å; L269-L283 HydrophobicContact CB-CD1 4.05Å; L269-L283 HydrophobicContact CB-CD2 4.47Å; L269-L283 HydrophobicContact CB-CG 4.02Å; L269-L283 HydrophobicContact CD2-CD2 4.26Å; L269-I294 HydrophobicContact CD2-CD1 3.77Å
270L98.7Very high97.5Very high0 Ų021.6 Ų21.60%011%0.11CC..EExtended strand (participates in β ladder)trans-102.4132.7170.9-166.265000108.5L260 D261 V278 R279 V280 A310 F312 F320L260-L270 VanDerWaalsContact CA-O 3.31Å; L260-L270 WeakPolarHBondContact CA-O 3.25Å; D261-L270 HydrophobicContact CB-CB 4.2Å; D261-L270 PolarHBondContact N-O 3.3Å; D261-L270 PolarHBondContact O-N 3.24Å; L270-V278 HydrophobicContact CD1-CG1 3.39Å; L270-V278 HydrophobicContact CG-CG1 4.07Å; L270-R279 WeakPolarHBondContact CA-O 3.2Å; L270-V280 HydrophobicContact CD1-CG2 3.72Å; L270-A310 HydrophobicContact CD2-CB 3.68Å; L270-A310 HydrophobicContact CG-CB 4.15Å; L270-F312 HydrophobicContact CB-CD2 4.13Å; L270-F312 HydrophobicContact CB-CE2 3.55Å; L270-F312 HydrophobicContact CB-CZ 3.8Å; L270-F312 HydrophobicContact CD1-CZ 4.38Å; L270-F320 HydrophobicContact CD1-CD1 4.28Å; L270-F320 HydrophobicContact CD1-CD2 4.26Å; L270-F320 HydrophobicContact CD1-CG 4.16Å; L270-F320 HydrophobicContact CD2-CB 3.89Å; L270-F320 HydrophobicContact CD2-CD2 4.23Å; L270-F320 HydrophobicContact CD2-CG 4.16Å
271S98.8Very high97.5Very high0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans-128.3137.8168.467.60000110.6H253 V278 R279 W281H253-S271 PolarHBondContact NE2-OG 3.36Å; S271-V278 CarbonylContact O-C 3.58Å; S271-V278 WeakPolarHBondContact O-CA 3.4Å; S271-R279 PolarHBondContact N-O 2.89Å; S271-R279 PolarHBondContact O-N 3.01Å; S271-W281 PolarHBondContact OG-NE1 2.93Å
272A98.4Very high97.5Very high0 Ų024.4 Ų24.40%012%0.121CC..EExtended strand (participates in β ladder)trans-138.8141178.500000111.1I257 Y258 S259 V278 I307 A310I257-A272 CarbonylContact C-O 3.51Å; Y258-A272 PolarHBondContact N-O 3.28Å; S259-A272 PolarHBondContact N-O 3.25Å; S259-A272 PolarHBondContact O-N 2.98Å; A272-V278 HydrophobicContact CB-CG2 4Å; A272-I307 HydrophobicContact CB-CB 4.41Å; A272-I307 HydrophobicContact CB-CD1 4.34Å; A272-I307 HydrophobicContact CB-CG2 3.64Å; A272-A310 HydrophobicContact CB-CB 3.43Å; A272-A310 VanDerWaalsContact CB-CB 3.43Å
273A97.9Very high97.5Very high0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-140.4171.6-170.100000113.3H253 W256 I257 D275 S276 L277H253-A273 HydrophobicContact CB-CB 3.7Å; H253-A273 VanDerWaalsContact CG-CB 3.43Å; H253-A273 WeakPolarHBondContact ND1-CB 3.29Å; W256-A273 WeakPolarHBondContact O-CA 3.36Å; W256-A273 WeakPolarHBondContact O-CB 3.48Å; I257-A273 HydrophobicContact CG1-CB 4.39Å; A273-D275 WeakPolarHBondContact CB-OD1 3.46Å; A273-D275 PolarHBondContact O-N 3.39Å; A273-S276 PolarHBondContact O-N 2.94Å; A273-L277 PolarHBondContact N-O 2.88Å
274E96.4Very high97.4Very high63 Ų6326.6 Ų26.629%0.29414%0.135SC..THydrogen-bonded Turntrans-63.6-14.5174.2-176.4-171.2-176.700112.8R255 W256 Y258 S276 Q306R255-E274 HydrophobicContact CB-CB 3.9Å; R255-E274 HydrophobicContact CB-CG 4.47Å; W256-E274 PolarHBondContact O-N 2.91Å; Y258-E274 HydrophobicContact CD2-CB 4.23Å; Y258-E274 HydrophobicContact CE2-CB 4.05Å; E274-S276 PolarHBondContact O-N 2.87Å; E274-S276 VanDerWaalsContact O-N 3.1Å; E274-Q306 HydrophobicContact CB-CG 4.48Å; E274-Q306 HydrophobicContact CG-CG 4.05Å
275D96.4Very high97.1Very high31 Ų3127.3 Ų27.317%0.16614%0.137CC..THydrogen-bonded Turntrans-75.513.1174.970.7-3.4000114.1H253 A254 R255 A273 L277 R279H253-D275 WeakPolarHBondContact CA-OD2 3.41Å; H253-D275 VanDerWaalsContact CB-OD2 3.31Å; H253-D275 WeakPolarHBondContact CB-OD2 3.3Å; H253-D275 IonicContact CE1-OD1 2.75Å; H253-D275 IonicContact CG-OD1 3.43Å; H253-D275 IonicContact CG-OD2 3.78Å; H253-D275 IonicContact ND1-OD1 3.59Å; H253-D275 PolarHBondContact ND1-OD1 3.34Å; H253-D275 IonicContact ND1-OD2 3.45Å; H253-D275 PolarHBondContact ND1-OD2 2.84Å; A254-D275 HydrophobicContact CB-CB 4.4Å; A254-D275 PolarHBondContact N-OD2 3.17Å; R255-D275 HydrophobicContact CB-CB 4.02Å; R255-D275 HydrophobicContact CG-CB 4.06Å; A273-D275 WeakPolarHBondContact CB-OD1 3.46Å; A273-D275 PolarHBondContact O-N 3.39Å; D275-L277 PolarHBondContact O-N 3.16Å; D275-L277 VanDerWaalsContact O-N 3.15Å; D275-L277 WeakPolarHBondContact OD1-CB 3.35Å; D275-L277 PolarHBondContact OD1-N 2.8Å; D275-L277 VanDerWaalsContact OD1-N 3.15Å; D275-R279 IonicContact OD2-NH1 3.78Å; D275-R279 PolarHBondContact OD2-NH1 3.13Å
276S96.9Very high97Very high27 Ų2722.5 Ų22.519%0.18912%0.12CC..SBendtrans64.18.8-178.2-50.90000114.8A273 E274 V302 T305A273-S276 PolarHBondContact O-N 2.94Å; E274-S276 PolarHBondContact O-N 2.87Å; E274-S276 VanDerWaalsContact O-N 3.1Å; S276-V302 WeakPolarHBondContact CB-O 3.21Å; S276-V302 PolarHBondContact O-N 2.87Å; S276-T305 WeakPolarHBondContact CA-O 3.25Å; S276-T305 WeakPolarHBondContact CB-O 3.41Å; S276-T305 PolarHBondContact OG-O 3.05Å; S276-T305 VanDerWaalsContact OG-O 3.04Å
277L97.9Very high96.4Very high35 Ų3525.7 Ų25.718%0.18314%0.139CC..EExtended strand (participates in β ladder)trans-102.3138.8-179.2-63.8166.9000111.3H253 A273 D275 E300 C301H253-L277 PolarHBondContact CE1-O 2.91Å; H253-L277 VanDerWaalsContact CE1-O 3.25Å; A273-L277 PolarHBondContact N-O 2.88Å; D275-L277 PolarHBondContact O-N 3.16Å; D275-L277 VanDerWaalsContact O-N 3.15Å; D275-L277 WeakPolarHBondContact OD1-CB 3.35Å; D275-L277 PolarHBondContact OD1-N 2.8Å; D275-L277 VanDerWaalsContact OD1-N 3.15Å; L277-E300 WeakPolarHBondContact CA-O 3.3Å; L277-C301 HydrophobicContact CD2-CB 3.78Å
278V98.1Very high96Very high1 Ų133.3 Ų33.31%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-109.9130.4162.9-176.60000107.5L270 S271 A272 N299 E300 V302 I307 F320 V322L270-V278 HydrophobicContact CD1-CG1 3.39Å; L270-V278 HydrophobicContact CG-CG1 4.07Å; S271-V278 CarbonylContact O-C 3.58Å; S271-V278 WeakPolarHBondContact O-CA 3.4Å; A272-V278 HydrophobicContact CB-CG2 4Å; V278-N299 CarbonylContact O-C 3.59Å; V278-N299 VanDerWaalsContact O-CA 3.3Å; V278-N299 WeakPolarHBondContact O-CA 3.43Å; V278-E300 PolarHBondContact N-O 3.1Å; V278-E300 PolarHBondContact O-N 3.15Å; V278-V302 HydrophobicContact CG2-CG2 4.19Å; V278-I307 HydrophobicContact CG2-CD1 3.53Å; V278-F320 HydrophobicContact CG1-CD2 4.5Å; V278-F320 HydrophobicContact CG1-CE2 3.9Å; V278-F320 HydrophobicContact CG1-CZ 4.26Å; V278-V322 HydrophobicContact CG2-CG1 4.09Å; V278-V322 HydrophobicContact CG2-CG2 3.88Å
279R98.6Very high95.5Very high41 Ų4137 Ų3716%0.15520%0.198CC..EExtended strand (participates in β ladder)trans-122.2140.9178.5-66.5-179.4171.990.8-7.5110.1A252 H253 L270 S271 D275 W281 Y298 N299A252-R279 WeakPolarHBondContact O-CD 3.38Å; A252-R279 PolarHBondContact O-NE 2.91Å; A252-R279 VanDerWaalsContact O-NE 3.17Å; A252-R279 PolarHBondContact O-NH1 3.47Å; H253-R279 PolarHBondContact CE1-NH1 2.78Å; H253-R279 PolarHBondContact ND1-NH1 2.83Å; L270-R279 WeakPolarHBondContact CA-O 3.2Å; S271-R279 PolarHBondContact N-O 2.89Å; S271-R279 PolarHBondContact O-N 3.01Å; D275-R279 IonicContact OD2-NH1 3.78Å; D275-R279 PolarHBondContact OD2-NH1 3.13Å; R279-W281 HydrophobicContact CB-CZ2 3.8Å; R279-W281 VanDerWaalsContact CD-CZ2 3.46Å; R279-W281 HydrophobicContact CG-CZ2 4.28Å; R279-Y298 CarbonylContact C-O 3.52Å; R279-Y298 WeakPolarHBondContact CA-O 3.44Å; R279-N299 HydrophobicContact CG-CB 3.96Å
280V98.6Very high94.8Very high2 Ų240.5 Ų40.51%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-111.5129.4173.3-177.80000107.9Y2 L268 L269 L270 M297 Y298 F312 F320Y2-V280 HydrophobicContact CD2-CG2 4.34Å; Y2-V280 HydrophobicContact CE2-CB 4.4Å; Y2-V280 HydrophobicContact CE2-CG1 4.24Å; Y2-V280 HydrophobicContact CE2-CG2 3.85Å; L268-V280 HydrophobicContact CB-CG1 4.34Å; L268-V280 HydrophobicContact CD2-CG1 4.01Å; L269-V280 CarbonylContact O-C 3.53Å; L269-V280 WeakPolarHBondContact O-CA 3.41Å; L270-V280 HydrophobicContact CD1-CG2 3.72Å; V280-M297 WeakPolarHBondContact O-CB 3.31Å; V280-M297 PolarHBondContact O-N 3.22Å; V280-Y298 HydrophobicContact CG2-CD1 4.07Å; V280-Y298 PolarHBondContact N-O 2.88Å; V280-Y298 PolarHBondContact O-N 3.37Å; V280-Y298 VanDerWaalsContact O-N 3.16Å; V280-F312 HydrophobicContact CG1-CZ 4.41Å; V280-F320 HydrophobicContact CG2-CE1 4.16Å
281W98.7Very high94.3Very high17 Ų1742.1 Ų42.16%0.06423%0.228CC..EExtended strand (participates in β ladder)trans-120.9160.3178.8-40.579.4000109.4I236 V250 A252 L268 L269 S271 R279 I294 V295 H296I236-W281 HydrophobicContact CD1-CZ2 4.43Å; V250-W281 HydrophobicContact CG1-CH2 3.83Å; V250-W281 HydrophobicContact CG1-CZ3 3.81Å; A252-W281 HydrophobicContact CB-CH2 3.94Å; A252-W281 HydrophobicContact CB-CZ2 3.56Å; L268-W281 CarbonylContact C-O 3.43Å; L268-W281 VanDerWaalsContact CA-O 3.27Å; L268-W281 WeakPolarHBondContact CA-O 3.13Å; L268-W281 WeakPolarHBondContact CD2-O 3.3Å; L269-W281 HydrophobicContact CB-CB 4.18Å; L269-W281 HydrophobicContact CD2-CB 4.46Å; L269-W281 HydrophobicContact CD2-CG 4.37Å; L269-W281 PolarHBondContact N-O 2.58Å; L269-W281 PolarHBondContact O-N 3.24Å; S271-W281 PolarHBondContact OG-NE1 2.93Å; R279-W281 HydrophobicContact CB-CZ2 3.8Å; R279-W281 VanDerWaalsContact CD-CZ2 3.46Å; R279-W281 HydrophobicContact CG-CZ2 4.28Å; W281-I294 HydrophobicContact CB-CD1 4.05Å; W281-I294 HydrophobicContact CB-CG1 3.8Å; W281-I294 HydrophobicContact CD2-CD1 4.06Å; W281-I294 HydrophobicContact CD2-CG1 4.24Å; W281-I294 HydrophobicContact CE3-CD1 4.12Å; W281-I294 HydrophobicContact CE3-CG1 3.97Å; W281-I294 HydrophobicContact CG-CD1 4.02Å; W281-I294 HydrophobicContact CG-CG1 4.19Å; W281-V295 CarbonylContact C-O 3.54Å; W281-V295 WeakPolarHBondContact CA-O 3.49Å; W281-V295 WeakPolarHBondContact CB-O 3.42Å; W281-H296 HydrophobicContact CE3-CB 3.69Å; W281-H296 HydrophobicContact CH2-CB 4.4Å; W281-H296 AromaticContact CH2-CD2 3.93Å; W281-H296 HydrophobicContact CZ3-CB 3.58Å; W281-H296 AromaticContact CZ3-CD2 3.91Å
282H98.1Very high94.1Very high65 Ų6542.4 Ų42.430%0.30123%0.23SC..EExtended strand (participates in β ladder)trans-114.7123.5170.8-174-110.4000109.2S266 L268 T284 V295 M297S266-H282 PolarHBondContact O-CD2 2.83Å; S266-H282 PolarHBondContact O-NE2 2.93Å; L268-H282 HydrophobicContact CD2-CB 4.29Å; H282-T284 PolarHBondContact CE1-OG1 2.81Å; H282-T284 PolarHBondContact ND1-OG1 3.43Å; H282-T284 VanDerWaalsContact ND1-OG1 3.15Å; H282-V295 PolarHBondContact N-O 3.32Å; H282-V295 PolarHBondContact O-N 2.85Å; H282-M297 HydrophobicContact CB-CG 3.72Å; H282-M297 HydrophobicContact CB-SD 4Å
283L97.8Very high93.9Very high2 Ų248 Ų481%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-93.8122.4175.5-60.3179.1000109.1W223 V228 L238 I262 G267 L269 V292 E293 I294W223-L283 HydrophobicContact CE3-CB 4.18Å; W223-L283 HydrophobicContact CE3-CD1 4.16Å; W223-L283 HydrophobicContact CH2-CB 4.15Å; W223-L283 WeakPolarHBondContact CH2-O 3.43Å; W223-L283 HydrophobicContact CZ3-CB 3.68Å; V228-L283 HydrophobicContact CG2-CD1 4.1Å; L238-L283 HydrophobicContact CD1-CD2 3.97Å; L238-L283 HydrophobicContact CD2-CD2 4.39Å; I262-L283 HydrophobicContact CD1-CD1 4.11Å; G267-L283 WeakPolarHBondContact O-CB 3.23Å; G267-L283 PolarHBondContact O-N 2.88Å; L269-L283 HydrophobicContact CB-CD1 4.05Å; L269-L283 HydrophobicContact CB-CD2 4.47Å; L269-L283 HydrophobicContact CB-CG 4.02Å; L269-L283 HydrophobicContact CD2-CD2 4.26Å; L283-V292 HydrophobicContact CB-CG1 4.44Å; L283-V292 HydrophobicContact CD2-CG1 4.46Å; L283-E293 WeakPolarHBondContact CA-O 3.48Å; L283-I294 HydrophobicContact CD2-CB 3.87Å; L283-I294 HydrophobicContact CD2-CD1 4.04Å; L283-I294 HydrophobicContact CD2-CG1 3.9Å
284T95.3Very high94Very high53 Ų5349.3 Ų49.333%0.32526%0.263SS..EExtended strand (participates in β ladder)trans-118.5117.2177.5-53.70000109.1H282 V292 E293H282-T284 PolarHBondContact CE1-OG1 2.81Å; H282-T284 PolarHBondContact ND1-OG1 3.43Å; H282-T284 VanDerWaalsContact ND1-OG1 3.15Å; T284-V292 WeakPolarHBondContact O-CA 3.39Å; T284-E293 PolarHBondContact N-O 3.03Å; T284-E293 PolarHBondContact O-N 2.82Å
285M89.8Confident94.1Very high40 Ų4049.6 Ų49.620%0.19727%0.269CS..EExtended strand (participates in β ladder)trans-93.4126173.3175.564.489.900108.9W223 K224 T226 P287 V292W223-M285 HydrophobicContact CZ3-CB 4.45Å; K224-M285 WeakPolarHBondContact O-CE 3.36Å; T226-M285 VanDerWaalsContact OG1-CE 3.31Å; T226-M285 WeakPolarHBondContact OG1-CE 3.35Å; M285-P287 WeakPolarHBondContact O-CD 3.29Å; M285-V292 HydrophobicContact CB-CG2 4.26Å; M285-V292 HydrophobicContact CE-CG2 3.27Å; M285-V292 HydrophobicContact CG-CG2 4.47Å; M285-V292 HydrophobicContact SD-CG2 3.46Å; M285-V292 WeakPolarHBondContact SD-CG2 3.26Å
286T90.8Very high94.1Very high43 Ų4352.1 Ų52.126%0.26428%0.279SS..EExtended strand (participates in β ladder)trans-99.6105.4173.4-59.20000108.8E288 T289 N290 S291T286-E288 VanDerWaalsContact C-N 3.27Å; T286-E288 VanDerWaalsContact CG2-OE2 3.3Å; T286-E288 WeakPolarHBondContact CG2-OE2 3.47Å; T286-E288 PolarHBondContact O-N 2.96Å; T286-T289 WeakPolarHBondContact CG2-OG1 3.37Å; T286-T289 PolarHBondContact O-N 3.36Å; T286-N290 WeakPolarHBondContact O-CA 3.48Å; T286-N290 PolarHBondContact O-N 3.11Å; T286-S291 PolarHBondContact N-O 2.81Å; T286-S291 PolarHBondContact O-N 2.94Å
287P84.4Confident94.2Very high102 Ų10256.3 Ų56.366%0.66230%0.297SS*.THydrogen-bonded Turntrans-60.8-32.2-172.8-24.735.4000114.1M285 T289M285-P287 WeakPolarHBondContact O-CD 3.29Å; P287-T289 VanDerWaalsContact C-N 3.31Å; P287-T289 PolarHBondContact O-N 2.8Å
288E87.9Confident94.1Very high161 Ų16156.3 Ų56.375%0.75230%0.295SS*.THydrogen-bonded Turntrans-67.6-32.7-175.7-62.771.8-154.100112.6T286T286-E288 VanDerWaalsContact C-N 3.27Å; T286-E288 VanDerWaalsContact CG2-OE2 3.3Å; T286-E288 WeakPolarHBondContact CG2-OE2 3.47Å; T286-E288 PolarHBondContact O-N 2.96Å
289T86.4Confident94Very high94 Ų9460.1 Ų60.158%0.57732%0.315SS*.THydrogen-bonded Turntrans-109.6-4.1-177.2490000112.9T286 P287 S291T286-T289 WeakPolarHBondContact CG2-OG1 3.37Å; T286-T289 PolarHBondContact O-N 3.36Å; P287-T289 VanDerWaalsContact C-N 3.31Å; P287-T289 PolarHBondContact O-N 2.8Å; T289-S291 PolarHBondContact O-N 2.85Å; T289-S291 PolarHBondContact OG1-OG 2.78Å
290N83.8Confident93.9Very high73 Ų7360.8 Ų60.839%0.3932%0.32SS..THydrogen-bonded Turntrans46.641-170.8-164.343.1000111.9H247 T286H247-N290 PolarHBondContact CE1-O 3.21Å; H247-N290 PolarHBondContact NE2-O 3.04Å; T286-N290 WeakPolarHBondContact O-CA 3.48Å; T286-N290 PolarHBondContact O-N 3.11Å
291S89.2Confident93.9Very high35 Ų3563.8 Ų63.825%0.24534%0.341CS..EExtended strand (participates in β ladder)trans-111.7141.1-17861.20000110.5T286 T289T286-S291 PolarHBondContact N-O 2.81Å; T286-S291 PolarHBondContact O-N 2.94Å; T289-S291 PolarHBondContact O-N 2.85Å; T289-S291 PolarHBondContact OG1-OG 2.78Å
292V94.2Very high93.8Very high6 Ų663.3 Ų63.34%0.03634%0.34CS..EExtended strand (participates in β ladder)trans-111.7127.5174.5-176.30000111.1T226 L238 H247 L283 T284 M285T226-V292 HydrophobicContact CG2-CB 4.31Å; T226-V292 HydrophobicContact CG2-CG1 4.46Å; T226-V292 HydrophobicContact CG2-CG2 4.01Å; T226-V292 VanDerWaalsContact OG1-CG2 3.22Å; T226-V292 WeakPolarHBondContact OG1-CG2 3.36Å; L238-V292 HydrophobicContact CD1-CB 4.3Å; L238-V292 HydrophobicContact CD1-CG1 3.75Å; H247-V292 HydrophobicContact CB-CB 4.48Å; L283-V292 HydrophobicContact CB-CG1 4.44Å; L283-V292 HydrophobicContact CD2-CG1 4.46Å; T284-V292 WeakPolarHBondContact O-CA 3.39Å; M285-V292 HydrophobicContact CB-CG2 4.26Å; M285-V292 HydrophobicContact CE-CG2 3.27Å; M285-V292 HydrophobicContact CG-CG2 4.47Å; M285-V292 HydrophobicContact SD-CG2 3.46Å; M285-V292 WeakPolarHBondContact SD-CG2 3.26Å
293E95.6Very high93.4Very high116 Ų11664.9 Ų64.954%0.54235%0.354SS..EExtended strand (participates in β ladder)trans-101.9148170.6-62.8-176.3173.400110.5L283 T284L283-E293 WeakPolarHBondContact CA-O 3.48Å; T284-E293 PolarHBondContact N-O 3.03Å; T284-E293 PolarHBondContact O-N 2.82Å
294I98.3Very high93.1Very high29 Ų2972.8 Ų72.815%0.14940%0.396CS..EExtended strand (participates in β ladder)trans-124.3123.3176.1-179.9169.7000109.4I236 L238 A248 V250 L269 W281 L283I236-I294 HydrophobicContact CG2-CD1 4.32Å; L238-I294 HydrophobicContact CD1-CB 3.95Å; L238-I294 HydrophobicContact CD1-CG2 4.02Å; A248-I294 HydrophobicContact CB-CG2 3.88Å; V250-I294 HydrophobicContact CG2-CD1 4.34Å; V250-I294 HydrophobicContact CG2-CG2 3.45Å; V250-I294 VanDerWaalsContact CG2-CG2 3.45Å; L269-I294 HydrophobicContact CD2-CD1 3.77Å; W281-I294 HydrophobicContact CB-CD1 4.05Å; W281-I294 HydrophobicContact CB-CG1 3.8Å; W281-I294 HydrophobicContact CD2-CD1 4.06Å; W281-I294 HydrophobicContact CD2-CG1 4.24Å; W281-I294 HydrophobicContact CE3-CD1 4.12Å; W281-I294 HydrophobicContact CE3-CG1 3.97Å; W281-I294 HydrophobicContact CG-CD1 4.02Å; W281-I294 HydrophobicContact CG-CG1 4.19Å; L283-I294 HydrophobicContact CD2-CB 3.87Å; L283-I294 HydrophobicContact CD2-CD1 4.04Å; L283-I294 HydrophobicContact CD2-CG1 3.9Å
295V98.3Very high93.1Very high69 Ų6971.1 Ų71.142%0.41839%0.386SS..EExtended strand (participates in β ladder)trans-120.7129-177.5-179.30000109.8W281 H282 M297W281-V295 CarbonylContact C-O 3.54Å; W281-V295 WeakPolarHBondContact CA-O 3.49Å; W281-V295 WeakPolarHBondContact CB-O 3.42Å; H282-V295 PolarHBondContact N-O 3.32Å; H282-V295 PolarHBondContact O-N 2.85Å; V295-M297 HydrophobicContact CG1-SD 4.08Å; V295-M297 PolarHBondContact O-N 2.81Å
296H98.2Very high93.3Very high84 Ų8471.9 Ų71.939%0.38939%0.389SS..EExtended strand (participates in β ladder)trans-70126.5173.9179.6-97.8000110.7W281 Y298W281-H296 HydrophobicContact CE3-CB 3.69Å; W281-H296 HydrophobicContact CH2-CB 4.4Å; W281-H296 AromaticContact CH2-CD2 3.93Å; W281-H296 HydrophobicContact CZ3-CB 3.58Å; W281-H296 AromaticContact CZ3-CD2 3.91Å; H296-Y298 PolarHBondContact NE2-O 2.77Å
297M97.5Very high93.6Very high115 Ų11569.8 Ų69.857%0.56738%0.376SS*.EExtended strand (participates in β ladder)trans-110.5-40.1-177-61.1-57.4-66.800112.8V280 H282 V295V280-M297 WeakPolarHBondContact O-CB 3.31Å; V280-M297 PolarHBondContact O-N 3.22Å; H282-M297 HydrophobicContact CB-CG 3.72Å; H282-M297 HydrophobicContact CB-SD 4Å; V295-M297 HydrophobicContact CG1-SD 4.08Å; V295-M297 PolarHBondContact O-N 2.81Å
298Y96.9Very high94.2Very high34 Ų3465 Ų6513%0.13335%0.345CS..EExtended strand (participates in β ladder)trans-159.5151-172.5172.2-99.2000111M1 Y2 R279 V280 H296 E300 F320M1-Y298 HydrophobicContact CG-CD2 4.28Å; M1-Y298 HydrophobicContact CG-CE2 4.01Å; Y2-Y298 AromaticContact CD2-CD1 3.67Å; Y2-Y298 HydrophobicContact CD2-CD1 3.67Å; Y2-Y298 AromaticContact CD2-CE1 3.95Å; Y2-Y298 HydrophobicContact CD2-CE1 3.95Å; Y2-Y298 HydrophobicContact CD2-CG 4.11Å; Y2-Y298 HydrophobicContact CE2-CD1 4.47Å; Y2-Y298 HydrophobicContact CG-CD1 4.41Å; Y2-Y298 HydrophobicContact CG-CE1 4.24Å; Y2-Y298 PolarHBondContact O-OH 3.15Å; R279-Y298 CarbonylContact C-O 3.52Å; R279-Y298 WeakPolarHBondContact CA-O 3.44Å; V280-Y298 HydrophobicContact CG2-CD1 4.07Å; V280-Y298 PolarHBondContact N-O 2.88Å; V280-Y298 PolarHBondContact O-N 3.37Å; V280-Y298 VanDerWaalsContact O-N 3.16Å; H296-Y298 PolarHBondContact NE2-O 2.77Å; Y298-E300 HydrophobicContact CE1-CB 3.75Å; Y298-E300 PolarHBondContact OH-OE2 3.3Å; Y298-F320 HydrophobicContact CE1-CZ 4.45Å
299N96.4Very high94.6Very high81 Ų8157.3 Ų57.343%0.43331%0.309SS..EExtended strand (participates in β ladder)trans-134.9151.9170.169.3174.2000110.8V278 R279V278-N299 CarbonylContact O-C 3.59Å; V278-N299 VanDerWaalsContact O-CA 3.3Å; V278-N299 WeakPolarHBondContact O-CA 3.43Å; R279-N299 HydrophobicContact CG-CB 3.96Å
300E96.9Very high95.2Very high55 Ų5552.8 Ų52.826%0.25728%0.282SS..EExtended strand (participates in β ladder)trans-137.5138.5173.5-175.163.6-166.700109.8L277 V278 Y298 Y333L277-E300 WeakPolarHBondContact CA-O 3.3Å; V278-E300 PolarHBondContact N-O 3.1Å; V278-E300 PolarHBondContact O-N 3.15Å; Y298-E300 HydrophobicContact CE1-CB 3.75Å; Y298-E300 PolarHBondContact OH-OE2 3.3Å; E300-Y333 HydrophobicContact CG-CD1 4.3Å; E300-Y333 HydrophobicContact CG-CE1 3.47Å; E300-Y333 VanDerWaalsContact CG-CE1 3.47Å
301C97.2Very high95.9Very high65 Ų6550.6 Ų50.644%0.43927%0.268SS..EExtended strand (participates in β ladder)trans-100.2113.5174.3-1750000110L277 T303L277-C301 HydrophobicContact CD2-CB 3.78Å; C301-T303 PolarHBondContact O-N 3.04Å
302V95.9Very high96.4Very high7 Ų749.3 Ų49.34%0.04226%0.259CS..  trans-85.885.4169.9-169.90000107.4S276 V278 D304 T305 I307 V322 I331S276-V302 WeakPolarHBondContact CB-O 3.21Å; S276-V302 PolarHBondContact O-N 2.87Å; V278-V302 HydrophobicContact CG2-CG2 4.19Å; V302-D304 PolarHBondContact O-N 2.82Å; V302-T305 HydrophobicContact CG1-CG2 4.03Å; V302-T305 WeakPolarHBondContact O-CB 3.42Å; V302-T305 PolarHBondContact O-N 2.89Å; V302-I307 HydrophobicContact CB-CD1 4.42Å; V302-I307 HydrophobicContact CB-CG1 4.48Å; V302-I307 HydrophobicContact CG2-CD1 4.24Å; V302-V322 HydrophobicContact CG2-CG1 4.3Å; V302-I331 HydrophobicContact CG1-CD1 3.41Å; V302-I331 VanDerWaalsContact CG1-CD1 3.41Å
303T91.6Very high96.4Very high99 Ų9949.3 Ų49.361%0.60726%0.259SS*.THydrogen-bonded Turntrans-50.7139.3-171.451.70000112.8C301 T305C301-T303 PolarHBondContact O-N 3.04Å; T303-T305 PolarHBondContact O-N 2.86Å; T303-T305 VanDerWaalsContact O-N 3.12Å; T303-T305 PolarHBondContact O-OG1 2.81Å
304D90.4Very high96.4Very high167 Ų16744.6 Ų44.689%0.89324%0.237SC*.THydrogen-bonded Turntrans55.327.5175.2-52.2-42.9000114.7V302V302-D304 PolarHBondContact O-N 2.82Å
305T94.8Very high96.1Very high18 Ų1844 Ų4411%0.1124%0.239CC..  trans-129.3119.2-174.8-56.60000111.9S276 V302 T303 I307 G324 L327S276-T305 WeakPolarHBondContact CA-O 3.25Å; S276-T305 WeakPolarHBondContact CB-O 3.41Å; S276-T305 PolarHBondContact OG-O 3.05Å; S276-T305 VanDerWaalsContact OG-O 3.04Å; V302-T305 HydrophobicContact CG1-CG2 4.03Å; V302-T305 WeakPolarHBondContact O-CB 3.42Å; V302-T305 PolarHBondContact O-N 2.89Å; T303-T305 PolarHBondContact O-N 2.86Å; T303-T305 VanDerWaalsContact O-N 3.12Å; T303-T305 PolarHBondContact O-OG1 2.81Å; T305-I307 PolarHBondContact O-N 3.08Å; T305-G324 VanDerWaalsContact CG2-CA 3.42Å; T305-L327 HydrophobicContact CG2-CD2 4.37Å
306Q95Very high96Very high56 Ų5645.3 Ų45.326%0.26224%0.243SC..  trans-72.8112.3163.6173.7174.46.900108.9Y258 E274 G324 Y325Y258-Q306 PolarHBondContact OH-NE2 2.95Å; E274-Q306 HydrophobicContact CB-CG 4.48Å; E274-Q306 HydrophobicContact CG-CG 4.05Å; Q306-G324 CarbonylContact O-C 3.59Å; Q306-G324 VanDerWaalsContact O-CA 3.31Å; Q306-G324 WeakPolarHBondContact O-CA 3.37Å; Q306-Y325 PolarHBondContact O-N 3.42Å
307I97.3Very high95.9Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-75.9132.7-176.7-60.1159.7000110.3Y258 A272 V278 V302 T305 V322Y258-I307 VanDerWaalsContact CB-O 3.3Å; Y258-I307 WeakPolarHBondContact CB-O 3.34Å; A272-I307 HydrophobicContact CB-CB 4.41Å; A272-I307 HydrophobicContact CB-CD1 4.34Å; A272-I307 HydrophobicContact CB-CG2 3.64Å; V278-I307 HydrophobicContact CG2-CD1 3.53Å; V302-I307 HydrophobicContact CB-CD1 4.42Å; V302-I307 HydrophobicContact CB-CG1 4.48Å; V302-I307 HydrophobicContact CG2-CD1 4.24Å; T305-I307 PolarHBondContact O-N 3.08Å; I307-V322 HydrophobicContact CB-CG1 4.46Å; I307-V322 HydrophobicContact CD1-CG1 4.43Å; I307-V322 HydrophobicContact CG1-CG1 4.07Å; I307-V322 HydrophobicContact CG2-CG1 3.59Å
308C96.2Very high95.8Very high0 Ų042.2 Ų42.20%022%0.223CC..EExtended strand (participates in β ladder)trans-107.6-25.8178.6-590000113.1S15 N19 N20 T323 Y325S15-C308 PolarHBondContact O-SG 2.82Å; N19-C308 PolarHBondContact N-O 3.19Å; N20-C308 HydrophobicContact CB-CB 3.85Å; N20-C308 PolarHBondContact N-O 3.15Å; C308-T323 PolarHBondContact N-O 3.12Å; C308-Y325 VanDerWaalsContact SG-CA 3.55Å; C308-Y325 PolarHBondContact SG-N 2.82Å
309G97.7Very high95.7Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-155.3141.9-176.800000111.6V322 T323G309-V322 CarbonylContact O-C 3.57Å; G309-V322 WeakPolarHBondContact O-CA 3.47Å; G309-T323 WeakPolarHBondContact CA-OG1 3.29Å; G309-T323 PolarHBondContact N-O 2.91Å; G309-T323 PolarHBondContact N-OG1 3.43Å; G309-T323 PolarHBondContact O-N 3.33Å; G309-T323 PolarHBondContact O-OG1 3.36Å
310A98.5Very high95.8Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-144.5130.6172.700000109.3S259 L270 A272 A321S259-A310 PolarHBondContact OG-N 2.98Å; S259-A310 PolarHBondContact OG-O 2.91Å; L270-A310 HydrophobicContact CD2-CB 3.68Å; L270-A310 HydrophobicContact CG-CB 4.15Å; A272-A310 HydrophobicContact CB-CB 3.43Å; A272-A310 VanDerWaalsContact CB-CB 3.43Å; A310-A321 VanDerWaalsContact CA-O 3.3Å; A310-A321 WeakPolarHBondContact CA-O 3.26Å
311K98.6Very high95.8Very high26 Ų2634.3 Ų34.311%0.11319%0.185CC..EExtended strand (participates in β ladder)trans-143.3140.3-177.5-71-61.4-179.1-167.40111.2L21 V23 L260 D261 F320 A321L21-K311 HydrophobicContact CB-CG 4.2Å; L21-K311 HydrophobicContact CD2-CB 4.07Å; L21-K311 HydrophobicContact CD2-CG 4.27Å; L21-K311 HydrophobicContact CG-CB 4.2Å; L21-K311 HydrophobicContact CG-CG 3.98Å; L21-K311 WeakPolarHBondContact O-CE 3.42Å; L21-K311 WeakPolarHBondContact O-CG 3.4Å; V23-K311 HydrophobicContact CB-CB 4.44Å; V23-K311 HydrophobicContact CG2-CB 3.54Å; V23-K311 HydrophobicContact CG2-CG 4.14Å; L260-K311 PolarHBondContact O-NZ 2.99Å; L260-K311 VanDerWaalsContact O-NZ 3.13Å; D261-K311 HydrophobicContact CB-CD 3.8Å; D261-K311 WeakPolarHBondContact OD1-CD 3.27Å; D261-K311 IonicContact OD1-NZ 3.76Å; D261-K311 PolarHBondContact OD1-NZ 2.87Å; D261-K311 WeakPolarHBondContact OD2-CA 3.17Å; D261-K311 WeakPolarHBondContact OD2-CD 3.47Å; K311-F320 CarbonylContact O-C 3.51Å; K311-F320 VanDerWaalsContact O-CA 3.23Å; K311-F320 WeakPolarHBondContact O-CA 3.45Å; K311-F320 VanDerWaalsContact O-CB 3.3Å; K311-F320 WeakPolarHBondContact O-CB 3.49Å; K311-A321 PolarHBondContact N-O 3.12Å; K311-A321 PolarHBondContact O-N 3.34Å
312F98.1Very high95.9Very high9 Ų931.3 Ų31.34%0.03917%0.165CC..EExtended strand (participates in β ladder)trans-65.6144.4162.9-69.6-69.9000109.4D261 A263 L268 L270 V280 D314 G317 A319 F320D261-F312 HydrophobicContact CB-CD2 4.31Å; D261-F312 PolarHBondContact OD2-N 2.86Å; A263-F312 HydrophobicContact CB-CB 4.48Å; A263-F312 HydrophobicContact CB-CD1 4.39Å; A263-F312 HydrophobicContact CB-CD2 3.72Å; A263-F312 HydrophobicContact CB-CE2 3.92Å; A263-F312 HydrophobicContact CB-CG 3.96Å; A263-F312 HydrophobicContact CB-CZ 4.37Å; A263-F312 VanDerWaalsContact N-CD2 3.35Å; L268-F312 HydrophobicContact CB-CE1 4.39Å; L268-F312 HydrophobicContact CB-CE2 4.15Å; L268-F312 HydrophobicContact CB-CZ 3.67Å; L268-F312 WeakPolarHBondContact O-CE2 3.28Å; L270-F312 HydrophobicContact CB-CD2 4.13Å; L270-F312 HydrophobicContact CB-CE2 3.55Å; L270-F312 HydrophobicContact CB-CZ 3.8Å; L270-F312 HydrophobicContact CD1-CZ 4.38Å; V280-F312 HydrophobicContact CG1-CZ 4.41Å; F312-D314 VanDerWaalsContact C-N 3.27Å; F312-G317 VanDerWaalsContact CD1-CA 3.46Å; F312-A319 CarbonylContact C-O 3.59Å; F312-A319 WeakPolarHBondContact CA-O 3.4Å; F312-F320 HydrophobicContact CD1-CB 3.86Å; F312-F320 HydrophobicContact CE1-CB 4.34Å; F312-F320 HydrophobicContact CE1-CD1 4.47Å
313C96.1Very high96Very high6 Ų631 Ų314%0.04116%0.163CC..SBendtrans-87.1-4.1176.7-63.30000112R25 A319R25-C313 WeakPolarHBondContact CD-O 3.21Å; C313-A319 HydrophobicContact CB-CB 3.92Å; C313-A319 PolarHBondContact N-O 3.39Å
314D93.9Very high96.3Very high16 Ų1626.3 Ų26.39%0.08613%0.134CC..SBendtrans-161.7163.8-171.46987.8000113.3F312 D316 G317 Y318 A319F312-D314 VanDerWaalsContact C-N 3.27Å; D314-D316 VanDerWaalsContact C-N 3.29Å; D314-D316 PolarHBondContact O-N 2.78Å; D314-D316 WeakPolarHBondContact OD1-CA 3.24Å; D314-D316 WeakPolarHBondContact OD1-CB 3.36Å; D314-D316 PolarHBondContact OD1-N 2.83Å; D314-G317 PolarHBondContact O-N 2.99Å; D314-G317 PolarHBondContact OD1-N 3.36Å; D314-Y318 PolarHBondContact OD1-N 3.45Å; D314-Y318 WeakPolarHBondContact OD2-CB 3.48Å; D314-Y318 PolarHBondContact OD2-N 2.8Å; D314-Y318 VanDerWaalsContact OD2-N 3.11Å; D314-A319 PolarHBondContact OD2-N 3.3Å
315G93.8Very high96.6Very high18 Ų1823.3 Ų23.319%0.18611%0.111CC..THydrogen-bonded Turntrans-73-18.2-174.600000115.2A263 F265A263-G315 CarbonylContact C-O 3.58Å; A263-G315 WeakPolarHBondContact CB-O 3.5Å; F265-G315 WeakPolarHBondContact CB-O 3.37Å; F265-G315 PolarHBondContact N-O 3.25Å
316D94.8Very high96.7Very high96 Ų9627.2 Ų27.251%0.51313%0.131SC..THydrogen-bonded Turntrans-95.2-13.3-179.7-58.2-66.2000111.8S266 D314S266-D316 WeakPolarHBondContact CB-O 3.32Å; S266-D316 VanDerWaalsContact OG-C 3.23Å; S266-D316 PolarHBondContact OG-O 3.49Å; D314-D316 VanDerWaalsContact C-N 3.29Å; D314-D316 PolarHBondContact O-N 2.78Å; D314-D316 WeakPolarHBondContact OD1-CA 3.24Å; D314-D316 WeakPolarHBondContact OD1-CB 3.36Å; D314-D316 PolarHBondContact OD1-N 2.83Å
317G95.8Very high96.8Very high0 Ų026.4 Ų26.40%013%0.129CC..  trans74.625-177.200000113.1Y2 F312 D314 A319 Q335Y2-G317 WeakPolarHBondContact CE1-O 3.37Å; Y2-G317 PolarHBondContact OH-O 3.07Å; F312-G317 VanDerWaalsContact CD1-CA 3.46Å; D314-G317 PolarHBondContact O-N 2.99Å; D314-G317 PolarHBondContact OD1-N 3.36Å; G317-A319 PolarHBondContact O-N 2.82Å; G317-Q335 PolarHBondContact O-NE2 3.14Å
318Y95.4Very high96.7Very high133 Ų13328.8 Ų28.852%0.52215%0.145SC..SBendtrans-61.2-35176.6-179.8-94.7000112D314 T334 Q335D314-Y318 PolarHBondContact OD1-N 3.45Å; D314-Y318 WeakPolarHBondContact OD2-CB 3.48Å; D314-Y318 PolarHBondContact OD2-N 2.8Å; D314-Y318 VanDerWaalsContact OD2-N 3.11Å; Y318-T334 HydrophobicContact CE1-CG2 4.18Å; Y318-T334 CarbonylContact O-C 3.54Å; Y318-T334 WeakPolarHBondContact O-CA 3.05Å; Y318-Q335 HydrophobicContact CD2-CB 4.14Å; Y318-Q335 HydrophobicContact CE2-CB 4.29Å; Y318-Q335 PolarHBondContact O-N 3.22Å; Y318-Q335 PolarHBondContact OH-O 2.8Å
319A95.8Very high96.7Very high5 Ų530.6 Ų30.64%0.04115%0.154CC..EExtended strand (participates in β ladder)trans-132.9150.3177.800000111.5F312 C313 D314 G317 Y333 T334F312-A319 CarbonylContact C-O 3.59Å; F312-A319 WeakPolarHBondContact CA-O 3.4Å; C313-A319 HydrophobicContact CB-CB 3.92Å; C313-A319 PolarHBondContact N-O 3.39Å; D314-A319 PolarHBondContact OD2-N 3.3Å; G317-A319 PolarHBondContact O-N 2.82Å; A319-Y333 CarbonylContact C-O 3.58Å; A319-Y333 WeakPolarHBondContact CA-O 3.07Å; A319-T334 HydrophobicContact CB-CG2 3.71Å
320F97.6Very high96.7Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-137.4161.4166.769-98.8000111.4Y2 L270 V278 V280 Y298 K311 F312 V322 Y333Y2-F320 AromaticContact CD1-CD1 3.57Å; Y2-F320 HydrophobicContact CD1-CD1 3.57Å; Y2-F320 AromaticContact CD1-CE1 3.39Å; Y2-F320 HydrophobicContact CD1-CE1 3.39Å; Y2-F320 AromaticContact CD2-CE1 3.87Å; Y2-F320 HydrophobicContact CD2-CE1 3.87Å; Y2-F320 AromaticContact CE1-CD1 3.46Å; Y2-F320 HydrophobicContact CE1-CD1 3.46Å; Y2-F320 VanDerWaalsContact CE1-CD1 3.46Å; Y2-F320 AromaticContact CE1-CE1 3.7Å; Y2-F320 HydrophobicContact CE1-CE1 3.7Å; Y2-F320 HydrophobicContact CE2-CD1 4.47Å; Y2-F320 HydrophobicContact CE2-CE1 4.15Å; Y2-F320 HydrophobicContact CG-CD1 4.13Å; Y2-F320 AromaticContact CG-CE1 3.48Å; Y2-F320 HydrophobicContact CG-CE1 3.48Å; Y2-F320 VanDerWaalsContact CG-CE1 3.48Å; Y2-F320 HydrophobicContact CG-CZ 4.43Å; Y2-F320 AromaticContact CZ-CD1 3.94Å; L270-F320 HydrophobicContact CD1-CD1 4.28Å; L270-F320 HydrophobicContact CD1-CD2 4.26Å; L270-F320 HydrophobicContact CD1-CG 4.16Å; L270-F320 HydrophobicContact CD2-CB 3.89Å; L270-F320 HydrophobicContact CD2-CD2 4.23Å; L270-F320 HydrophobicContact CD2-CG 4.16Å; V278-F320 HydrophobicContact CG1-CD2 4.5Å; V278-F320 HydrophobicContact CG1-CE2 3.9Å; V278-F320 HydrophobicContact CG1-CZ 4.26Å; V280-F320 HydrophobicContact CG2-CE1 4.16Å; Y298-F320 HydrophobicContact CE1-CZ 4.45Å; K311-F320 CarbonylContact O-C 3.51Å; K311-F320 VanDerWaalsContact O-CA 3.23Å; K311-F320 WeakPolarHBondContact O-CA 3.45Å; K311-F320 VanDerWaalsContact O-CB 3.3Å; K311-F320 WeakPolarHBondContact O-CB 3.49Å; F312-F320 HydrophobicContact CD1-CB 3.86Å; F312-F320 HydrophobicContact CE1-CB 4.34Å; F312-F320 HydrophobicContact CE1-CD1 4.47Å; F320-V322 HydrophobicContact CD2-CG2 3.79Å; F320-V322 HydrophobicContact CE2-CG2 3.71Å; F320-Y333 AromaticContact CD2-CD2 3.88Å; F320-Y333 HydrophobicContact CD2-CD2 3.88Å; F320-Y333 HydrophobicContact CD2-CG 4.33Å; F320-Y333 HydrophobicContact CE1-CG 4.29Å; F320-Y333 AromaticContact CE2-CD2 3.23Å; F320-Y333 HydrophobicContact CE2-CD2 3.23Å; F320-Y333 AromaticContact CE2-CE2 3.96Å; F320-Y333 HydrophobicContact CE2-CE2 3.96Å; F320-Y333 AromaticContact CE2-CG 3.59Å; F320-Y333 HydrophobicContact CE2-CG 3.59Å; F320-Y333 VanDerWaalsContact CZ-CB 3.48Å; F320-Y333 HydrophobicContact CZ-CD1 4.24Å; F320-Y333 AromaticContact CZ-CD2 3.73Å; F320-Y333 HydrophobicContact CZ-CD2 3.73Å; F320-Y333 AromaticContact CZ-CG 3.56Å; F320-Y333 HydrophobicContact CZ-CG 3.56Å; F320-Y333 PolarHBondContact N-O 3.23Å; F320-Y333 PolarHBondContact O-N 3.17Å
321A98Very high96.6Very high0 Ų030.8 Ų30.80%016%0.155CC..EExtended strand (participates in β ladder)trans-127.6151.4179.700000110.6L21 F34 A310 K311 I330 I331 R332L21-A321 HydrophobicContact CD2-CB 3.92Å; L21-A321 WeakPolarHBondContact CD2-O 3.22Å; F34-A321 HydrophobicContact CD1-CB 4.35Å; F34-A321 HydrophobicContact CE1-CB 3.74Å; A310-A321 VanDerWaalsContact CA-O 3.3Å; A310-A321 WeakPolarHBondContact CA-O 3.26Å; K311-A321 PolarHBondContact N-O 3.12Å; K311-A321 PolarHBondContact O-N 3.34Å; A321-I330 HydrophobicContact CB-CG2 3.75Å; A321-I331 CarbonylContact C-O 3.49Å; A321-I331 VanDerWaalsContact CA-O 3.26Å; A321-I331 WeakPolarHBondContact CA-O 3.33Å; A321-R332 HydrophobicContact CB-CG 4.23Å
322V98.4Very high96.5Very high1 Ų129.9 Ų29.91%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-136.6140.1-175.4-171.10000109.9V278 V302 I307 G309 F320 I331 Y333V278-V322 HydrophobicContact CG2-CG1 4.09Å; V278-V322 HydrophobicContact CG2-CG2 3.88Å; V302-V322 HydrophobicContact CG2-CG1 4.3Å; I307-V322 HydrophobicContact CB-CG1 4.46Å; I307-V322 HydrophobicContact CD1-CG1 4.43Å; I307-V322 HydrophobicContact CG1-CG1 4.07Å; I307-V322 HydrophobicContact CG2-CG1 3.59Å; G309-V322 CarbonylContact O-C 3.57Å; G309-V322 WeakPolarHBondContact O-CA 3.47Å; F320-V322 HydrophobicContact CD2-CG2 3.79Å; F320-V322 HydrophobicContact CE2-CG2 3.71Å; V322-I331 PolarHBondContact N-O 3.21Å; V322-I331 PolarHBondContact O-N 2.87Å; V322-Y333 HydrophobicContact CG2-CD2 4.19Å; V322-Y333 HydrophobicContact CG2-CE2 3.99Å
323T98.4Very high96.4Very high1 Ų129.6 Ų29.61%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-120.9145.9172.653.80000110.8N20 L21 V36 C308 G309 I330N20-T323 PolarHBondContact O-OG1 3.11Å; L21-T323 HydrophobicContact CB-CG2 4.33Å; L21-T323 HydrophobicContact CD1-CG2 3.89Å; L21-T323 HydrophobicContact CD2-CG2 4.32Å; L21-T323 HydrophobicContact CG-CG2 4.41Å; V36-T323 HydrophobicContact CB-CG2 4.49Å; V36-T323 HydrophobicContact CG1-CG2 4.02Å; V36-T323 HydrophobicContact CG2-CG2 3.6Å; C308-T323 PolarHBondContact N-O 3.12Å; G309-T323 WeakPolarHBondContact CA-OG1 3.29Å; G309-T323 PolarHBondContact N-O 2.91Å; G309-T323 PolarHBondContact N-OG1 3.43Å; G309-T323 PolarHBondContact O-N 3.33Å; G309-T323 PolarHBondContact O-OG1 3.36Å; T323-I330 HydrophobicContact CG2-CG1 4.07Å
324G97.8Very high96.4Very high0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-121.8148.5-179.300000112.7A14 T305 Q306 D326 L327A14-G324 VanDerWaalsContact CB-O 3.29Å; A14-G324 WeakPolarHBondContact CB-O 3.18Å; T305-G324 VanDerWaalsContact CG2-CA 3.42Å; Q306-G324 CarbonylContact O-C 3.59Å; Q306-G324 VanDerWaalsContact O-CA 3.31Å; Q306-G324 WeakPolarHBondContact O-CA 3.37Å; G324-D326 PolarHBondContact O-N 2.5Å; G324-L327 VanDerWaalsContact O-CB 3.25Å; G324-L327 WeakPolarHBondContact O-CB 3.3Å; G324-L327 PolarHBondContact O-N 2.83Å
325Y97.4Very high96.3Very high104 Ų10432 Ų3241%0.40816%0.16SC..BIsolated β-bridgetrans-57.8133.6173.4179.7-121.6000110.1A14 A16 Q306 C308 L327A14-Y325 WeakPolarHBondContact O-CD2 3.4Å; A16-Y325 HydrophobicContact CB-CD2 3.55Å; A16-Y325 HydrophobicContact CB-CE2 3.91Å; A16-Y325 HydrophobicContact CB-CG 4Å; A16-Y325 VanDerWaalsContact N-CD2 3.32Å; Q306-Y325 PolarHBondContact O-N 3.42Å; C308-Y325 VanDerWaalsContact SG-CA 3.55Å; C308-Y325 PolarHBondContact SG-N 2.82Å; Y325-L327 PolarHBondContact O-N 3.12Å
326D95.8Very high95.8Very high100 Ų10038.6 Ų38.654%0.53520%0.197SC..THydrogen-bonded Turntrans58.95.4-175.1-75.5-21.7000116S13 A14 G324S13-D326 VanDerWaalsContact CB-CA 3.5Å; S13-D326 WeakPolarHBondContact CB-O 3.18Å; A14-D326 PolarHBondContact O-N 2.88Å; A14-D326 VanDerWaalsContact O-N 3.08Å; G324-D326 PolarHBondContact O-N 2.5Å
327L96.6Very high95.8Very high40 Ų4035.7 Ų35.721%0.20918%0.181CC..  trans-86.5126.5174.1-16665.6000110.5M10 S13 A14 T305 G324 Y325 E329 I331M10-L327 WeakPolarHBondContact CE-O 3.22Å; S13-L327 CarbonylContact C-O 3.5Å; S13-L327 VanDerWaalsContact CA-O 3.29Å; S13-L327 WeakPolarHBondContact CA-O 3.06Å; A14-L327 PolarHBondContact N-O 3.2Å; A14-L327 VanDerWaalsContact N-O 3.12Å; T305-L327 HydrophobicContact CG2-CD2 4.37Å; G324-L327 VanDerWaalsContact O-CB 3.25Å; G324-L327 WeakPolarHBondContact O-CB 3.3Å; G324-L327 PolarHBondContact O-N 2.83Å; Y325-L327 PolarHBondContact O-N 3.12Å; L327-E329 VanDerWaalsContact C-N 3.28Å; L327-E329 HydrophobicContact CD1-CG 3.81Å; L327-E329 HydrophobicContact CD2-CG 3.72Å; L327-E329 HydrophobicContact CG-CG 3.55Å; L327-E329 PolarHBondContact O-N 3.32Å; L327-I331 HydrophobicContact CD2-CD1 3.78Å; L327-I331 HydrophobicContact CD2-CG1 4.09Å
328S96.4Very high95.8Very high50 Ų5037.6 Ų37.635%0.3519%0.19SC..  trans-95.231.7179-59.10000112.5M10 S13M10-S328 PolarHBondContact N-O 3.49Å; S13-S328 WeakPolarHBondContact CA-OG 3.24Å; S13-S328 PolarHBondContact N-OG 3.37Å
329E96.3Very high95.9Very high38 Ų3832.3 Ų32.318%0.17817%0.172CC..EExtended strand (participates in β ladder)trans-144.4156175.760.4170.9-15300111.9S7 I8 Q9 L327 I331S7-E329 WeakPolarHBondContact CB-OE2 3Å; S7-E329 VanDerWaalsContact OG-CD 3.32Å; S7-E329 PolarHBondContact OG-OE1 3.2Å; S7-E329 VanDerWaalsContact OG-OE1 3.14Å; S7-E329 PolarHBondContact OG-OE2 3.01Å; I8-E329 CarbonylContact O-C 3.59Å; I8-E329 VanDerWaalsContact O-CA 3.24Å; I8-E329 WeakPolarHBondContact O-CA 3.39Å; Q9-E329 PolarHBondContact NE2-OE2 2.61Å; L327-E329 VanDerWaalsContact C-N 3.28Å; L327-E329 HydrophobicContact CD1-CG 3.81Å; L327-E329 HydrophobicContact CD2-CG 3.72Å; L327-E329 HydrophobicContact CG-CG 3.55Å; L327-E329 PolarHBondContact O-N 3.32Å; E329-I331 HydrophobicContact CG-CG1 4.43Å
330I97.5Very high95.9Very high0 Ų033.9 Ų33.90%018%0.18CC..EExtended strand (participates in β ladder)trans-102.5116169.7-57.7165.4000106.4S7 I8 M10 F34 V36 V45 A321 T323S7-I330 CarbonylContact C-O 3.6Å; S7-I330 WeakPolarHBondContact CA-O 3.24Å; I8-I330 HydrophobicContact CB-CB 4.3Å; I8-I330 PolarHBondContact N-O 3.26Å; I8-I330 PolarHBondContact O-N 3.2Å; M10-I330 HydrophobicContact CE-CG1 4.41Å; M10-I330 HydrophobicContact CG-CD1 4.23Å; M10-I330 HydrophobicContact CG-CG1 4.02Å; M10-I330 HydrophobicContact SD-CD1 4.01Å; M10-I330 HydrophobicContact SD-CG1 3.66Å; F34-I330 HydrophobicContact CB-CD1 3.53Å; F34-I330 HydrophobicContact CD1-CD1 4.39Å; F34-I330 HydrophobicContact CD1-CG2 4.41Å; F34-I330 HydrophobicContact CD2-CD1 4.35Å; F34-I330 HydrophobicContact CG-CD1 3.86Å; V36-I330 HydrophobicContact CG2-CD1 4.07Å; V36-I330 HydrophobicContact CG2-CG1 4.13Å; V45-I330 HydrophobicContact CB-CD1 4.48Å; V45-I330 HydrophobicContact CG2-CD1 4.35Å; A321-I330 HydrophobicContact CB-CG2 3.75Å; T323-I330 HydrophobicContact CG2-CG1 4.07Å
331I97.3Very high95.8Very high4 Ų436 Ų362%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-84.6129.7178.6-54173.9000107.9K4 V302 A321 V322 L327 E329 Y333K4-I331 HydrophobicContact CD-CG2 3.99Å; K4-I331 HydrophobicContact CG-CG2 4.11Å; V302-I331 HydrophobicContact CG1-CD1 3.41Å; V302-I331 VanDerWaalsContact CG1-CD1 3.41Å; A321-I331 CarbonylContact C-O 3.49Å; A321-I331 VanDerWaalsContact CA-O 3.26Å; A321-I331 WeakPolarHBondContact CA-O 3.33Å; V322-I331 PolarHBondContact N-O 3.21Å; V322-I331 PolarHBondContact O-N 2.87Å; L327-I331 HydrophobicContact CD2-CD1 3.78Å; L327-I331 HydrophobicContact CD2-CG1 4.09Å; E329-I331 HydrophobicContact CG-CG1 4.43Å; I331-Y333 HydrophobicContact CB-CE2 4.17Å; I331-Y333 HydrophobicContact CG2-CD2 4.19Å; I331-Y333 HydrophobicContact CG2-CE2 3.36Å
332R95.8Very high95.6Very high6 Ų638.4 Ų38.42%0.02320%0.203CC..EExtended strand (participates in β ladder)trans-113.2146.2-179.2-75.2-170.357.9-173.9-10.5111.7K4 E5 I8 S48 W49 A321K4-R332 WeakPolarHBondContact CA-O 3.13Å; E5-R332 HydrophobicContact CB-CB 4.23Å; E5-R332 PolarHBondContact N-O 2.8Å; E5-R332 IonicContact OE2-CZ 3.68Å; E5-R332 IonicContact OE2-NE 2.66Å; E5-R332 IonicContact OE2-NH2 3.19Å; E5-R332 PolarHBondContact OE2-NH2 2.75Å; I8-R332 HydrophobicContact CD1-CG 4.21Å; S48-R332 PolarHBondContact O-NH1 2.88Å; W49-R332 PolarHBondContact O-NH1 3.14Å; W49-R332 PolarHBondContact O-NH2 2.84Å; A321-R332 HydrophobicContact CB-CG 4.23Å
333Y96.4Very high95.4Very high3 Ų341.1 Ų41.11%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-133.5139.1177.9-64.8-92.6000110H3 K4 E300 A319 F320 V322 I331H3-Y333 CarbonylContact O-C 3.6Å; H3-Y333 VanDerWaalsContact O-CA 3.24Å; H3-Y333 WeakPolarHBondContact O-CA 3.5Å; K4-Y333 HydrophobicContact CB-CD1 3.97Å; K4-Y333 HydrophobicContact CB-CE1 3.62Å; K4-Y333 HydrophobicContact CG-CE1 4.17Å; E300-Y333 HydrophobicContact CG-CD1 4.3Å; E300-Y333 HydrophobicContact CG-CE1 3.47Å; E300-Y333 VanDerWaalsContact CG-CE1 3.47Å; A319-Y333 CarbonylContact C-O 3.58Å; A319-Y333 WeakPolarHBondContact CA-O 3.07Å; F320-Y333 AromaticContact CD2-CD2 3.88Å; F320-Y333 HydrophobicContact CD2-CD2 3.88Å; F320-Y333 HydrophobicContact CD2-CG 4.33Å; F320-Y333 HydrophobicContact CE1-CG 4.29Å; F320-Y333 AromaticContact CE2-CD2 3.23Å; F320-Y333 HydrophobicContact CE2-CD2 3.23Å; F320-Y333 AromaticContact CE2-CE2 3.96Å; F320-Y333 HydrophobicContact CE2-CE2 3.96Å; F320-Y333 AromaticContact CE2-CG 3.59Å; F320-Y333 HydrophobicContact CE2-CG 3.59Å; F320-Y333 VanDerWaalsContact CZ-CB 3.48Å; F320-Y333 HydrophobicContact CZ-CD1 4.24Å; F320-Y333 AromaticContact CZ-CD2 3.73Å; F320-Y333 HydrophobicContact CZ-CD2 3.73Å; F320-Y333 AromaticContact CZ-CG 3.56Å; F320-Y333 HydrophobicContact CZ-CG 3.56Å; F320-Y333 PolarHBondContact N-O 3.23Å; F320-Y333 PolarHBondContact O-N 3.17Å; V322-Y333 HydrophobicContact CG2-CD2 4.19Å; V322-Y333 HydrophobicContact CG2-CE2 3.99Å; I331-Y333 HydrophobicContact CB-CE2 4.17Å; I331-Y333 HydrophobicContact CG2-CD2 4.19Å; I331-Y333 HydrophobicContact CG2-CE2 3.36Å
334T95.3Very high95.2Very high13 Ų1344.2 Ų44.28%0.0823%0.234CC..EExtended strand (participates in β ladder)trans-129.2145.5177.646.20000111.7Y2 H3 E5 Y318 A319Y2-T334 CarbonylContact C-O 3.51Å; Y2-T334 VanDerWaalsContact CA-O 3.28Å; Y2-T334 WeakPolarHBondContact CA-O 3.07Å; H3-T334 PolarHBondContact N-O 3.45Å; H3-T334 PolarHBondContact O-N 3.4Å; E5-T334 VanDerWaalsContact CD-OG1 3.24Å; E5-T334 HydrophobicContact CG-CG2 4.1Å; E5-T334 WeakPolarHBondContact CG-OG1 3.25Å; E5-T334 WeakPolarHBondContact OE1-CB 3.49Å; E5-T334 WeakPolarHBondContact OE1-CG2 3.34Å; E5-T334 PolarHBondContact OE1-OG1 2.82Å; E5-T334 WeakPolarHBondContact OE2-CG2 3.12Å; Y318-T334 HydrophobicContact CE1-CG2 4.18Å; Y318-T334 CarbonylContact O-C 3.54Å; Y318-T334 WeakPolarHBondContact O-CA 3.05Å; A319-T334 HydrophobicContact CB-CG2 3.71Å
335Q92.9Very high95Very high60 Ų6047.8 Ų47.828%0.2825%0.253SS..EExtended strand (participates in β ladder)trans-68142170.7-67.1-170.9-1.600109.9Y2 G317 Y318Y2-Q335 HydrophobicContact CD1-CG 3.71Å; Y2-Q335 HydrophobicContact CD2-CG 4.32Å; Y2-Q335 HydrophobicContact CE1-CB 4.46Å; Y2-Q335 HydrophobicContact CE1-CG 3.3Å; Y2-Q335 HydrophobicContact CE2-CG 3.96Å; Y2-Q335 HydrophobicContact CG-CG 4.2Å; Y2-Q335 VanDerWaalsContact CZ-CG 3.45Å; Y2-Q335 VanDerWaalsContact CZ-NE2 3.31Å; Y2-Q335 PolarHBondContact OH-NE2 2.97Å; G317-Q335 PolarHBondContact O-NE2 3.14Å; Y318-Q335 HydrophobicContact CD2-CB 4.14Å; Y318-Q335 HydrophobicContact CE2-CB 4.29Å; Y318-Q335 PolarHBondContact O-N 3.22Å; Y318-Q335 PolarHBondContact OH-O 2.8Å
336V82.1Confident94.8Very high156 Ų15642.7 Ų42.795%0.94524%0.239SC*.  trans-106.10164.4177.50000108.6M1 H3M1-V336 PolarHBondContact O-N 2.62Å; M1-V336 VanDerWaalsContact O-N 3.17Å; H3-V336 HydrophobicContact CB-CG2 4.43Å; H3-V336 VanDerWaalsContact CE1-CG2 3.5Å; H3-V336 WeakPolarHBondContact CE1-CG2 3.48Å; H3-V336 WeakPolarHBondContact ND1-CG2 3.31Å

Retrieved 336 of 336 residues in 63.5 ms (Link to these results)

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