A0A077YWX4_TRITR Loading...

Lgg 2

AlphaFold DB , UniProt , Accession A0A077YWX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 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
1M39.1Very low58.6Low231 Ų231129.5 Ų129.5100%1.13863%0.628SS**  082.40-164.1169.675.700107.1
2I40.4Very low61.6Low151 Ų151118.8 Ų118.877%0.77458%0.576SS**  trans-93.5120-177.2-71.7163.3000107V4I2-V4 HydrophobicContact CG2-CG2 4.01Å; I2-V4 PolarHBondContact O-N 3.02Å
3L34.5Very low64.2Low137 Ų137110.1 Ų110.172%0.71753%0.534SS*.  trans-60.599.9163.3-90.181.8000108.1L5L3-L5 HydrophobicContact CD2-CD1 3.77Å; L3-L5 HydrophobicContact CG-CD1 3.98Å; L3-L5 PolarHBondContact O-N 2.9Å
4V45Very low66.5Low111 Ų111102.5 Ų102.567%0.67350%0.498SS*.  trans-92.369.1156.2-1730000106I2I2-V4 HydrophobicContact CG2-CG2 4.01Å; I2-V4 PolarHBondContact O-N 3.02Å
5L39.5Very low68.5Low118 Ų118102 Ų10262%0.61849%0.494SS*.  trans-111.1137.8170.3-70.2171.5000105.9L3L3-L5 HydrophobicContact CD2-CD1 3.77Å; L3-L5 HydrophobicContact CG-CD1 3.98Å; L3-L5 PolarHBondContact O-N 2.9Å
6F45.1Very low70.2Confident203 Ų203101.4 Ų101.489%0.8949%0.485SS*.SBendtrans98.347.1170.5-62.7-87.4000119.7
7R59.2Low71.6Confident214 Ų21499.6 Ų99.681%0.80848%0.475SS*.  164.387.2127.5-101.6-170.4178-171.5-0.4107.9D9R7-D9 PolarHBondContact O-N 3.17Å; R7-D9 VanDerWaalsContact O-N 3.09Å
8L68.3Low72.8Confident87 Ų87102.7 Ų102.746%0.45549%0.494SS..  trans-8673.6173.1-66.5172.2000107.9F10 D35L8-F10 HydrophobicContact CB-CE2 4.46Å; L8-F10 HydrophobicContact CB-CZ 4.44Å; L8-D35 HydrophobicContact CB-CB 4.26Å; L8-D35 PolarHBondContact O-N 3.45Å
9D86.9Confident73.8Confident55 Ų55100 Ų10029%0.29450%0.497SS..EExtended strand (participates in β ladder)trans-84.4121.7163.9-65.9-34.5000107.7R7 L32R7-D9 PolarHBondContact O-N 3.17Å; R7-D9 VanDerWaalsContact O-N 3.09Å; D9-L32 HydrophobicContact CB-CB 3.98Å; D9-L32 HydrophobicContact CB-CD2 4.19Å; D9-L32 HydrophobicContact CB-CG 4.47Å
10F92.5Very high74.7Confident31 Ų3195.4 Ų95.414%0.13647%0.473CS..EExtended strand (participates in β ladder)trans-86.9141.8-180-68.2-72.9000111.4L8 V12 L32 V33 D35 M74 A75 Y78L8-F10 HydrophobicContact CB-CE2 4.46Å; L8-F10 HydrophobicContact CB-CZ 4.44Å; F10-V12 PolarHBondContact O-N 3.43Å; F10-L32 WeakPolarHBondContact O-CA 3.5Å; F10-V33 PolarHBondContact N-O 3.21Å; F10-V33 PolarHBondContact O-N 3.08Å; F10-D35 HydrophobicContact CD2-CB 4.3Å; F10-D35 HydrophobicContact CE2-CB 3.62Å; F10-M74 HydrophobicContact CB-CG 4Å; F10-M74 HydrophobicContact CD2-CB 4.39Å; F10-M74 HydrophobicContact CD2-CG 3.79Å; F10-M74 HydrophobicContact CG-CG 4.22Å; F10-A75 VanDerWaalsContact CE2-CA 3.45Å; F10-A75 HydrophobicContact CE2-CB 3.76Å; F10-A75 HydrophobicContact CZ-CB 4.02Å; F10-Y78 HydrophobicContact CB-CD2 3.65Å; F10-Y78 HydrophobicContact CB-CE2 3.97Å; F10-Y78 HydrophobicContact CB-CG 4.16Å; F10-Y78 AromaticContact CD1-CD1 3.38Å; F10-Y78 HydrophobicContact CD1-CD1 3.38Å; F10-Y78 AromaticContact CD1-CD2 3.6Å; F10-Y78 HydrophobicContact CD1-CD2 3.6Å; F10-Y78 AromaticContact CD1-CE1 3.7Å; F10-Y78 HydrophobicContact CD1-CE1 3.7Å; F10-Y78 AromaticContact CD1-CE2 3.89Å; F10-Y78 HydrophobicContact CD1-CE2 3.89Å; F10-Y78 AromaticContact CD1-CG 3.31Å; F10-Y78 HydrophobicContact CD1-CG 3.31Å; F10-Y78 AromaticContact CD1-CZ 3.92Å; F10-Y78 AromaticContact CE1-CD1 3.58Å; F10-Y78 HydrophobicContact CE1-CD1 3.58Å; F10-Y78 HydrophobicContact CE1-CE1 4.05Å; F10-Y78 AromaticContact CE1-CG 3.85Å; F10-Y78 HydrophobicContact CE1-CG 3.85Å; F10-Y78 HydrophobicContact CG-CD1 4.37Å; F10-Y78 AromaticContact CG-CD2 3.89Å; F10-Y78 HydrophobicContact CG-CD2 3.89Å; F10-Y78 HydrophobicContact CG-CE2 4.37Å; F10-Y78 AromaticContact CG-CG 3.87Å; F10-Y78 HydrophobicContact CG-CG 3.87Å
11Q94.2Very high75.6Confident86 Ų86101 Ų10140%0.40249%0.489SS..EExtended strand (participates in β ladder)trans-83.2113.3178.5-67.2-175.499.400110.3L32 F87 L88Q11-L32 HydrophobicContact CG-CD2 4.02Å; Q11-F87 HydrophobicContact CB-CD1 3.58Å; Q11-F87 HydrophobicContact CB-CE1 3.67Å; Q11-F87 HydrophobicContact CB-CG 4.37Å; Q11-F87 HydrophobicContact CG-CE1 4.2Å; Q11-F87 WeakPolarHBondContact O-CA 3.39Å; Q11-L88 PolarHBondContact O-N 2.74Å
12V94.4Very high78.3Confident1 Ų198.2 Ų98.21%0.00647%0.467CS..EExtended strand (participates in β ladder)trans-122.5131.3-176.5-171.70000109.7F10 I14 F31 V33 M74 L88 I90F10-V12 PolarHBondContact O-N 3.43Å; V12-I14 HydrophobicContact CG1-CD1 4.26Å; V12-I14 HydrophobicContact CG1-CG1 3.75Å; V12-F31 PolarHBondContact N-O 3.48Å; V12-F31 PolarHBondContact O-N 3.35Å; V12-V33 HydrophobicContact CB-CG2 4Å; V12-V33 HydrophobicContact CG2-CB 4.03Å; V12-V33 HydrophobicContact CG2-CG2 3.61Å; V12-M74 HydrophobicContact CG2-CE 4.22Å; V12-M74 HydrophobicContact CG2-SD 3.8Å; V12-L88 CarbonylContact C-O 3.59Å; V12-L88 WeakPolarHBondContact CA-O 3.03Å; V12-L88 HydrophobicContact CG1-CB 4.44Å; V12-L88 HydrophobicContact CG1-CD2 4.47Å; V12-L88 HydrophobicContact CG2-CB 4.34Å; V12-L88 HydrophobicContact CG2-CD2 4.39Å; V12-I90 HydrophobicContact CG1-CD1 3.66Å; V12-I90 HydrophobicContact CG1-CG1 3.94Å
13V95.7Very high80.9Confident6 Ų691.2 Ų91.24%0.03643%0.432CS..EExtended strand (participates in β ladder)trans-100.6120.9169.7-178.10000107.8E15 C29 K30 F87 L88 Y89 I90V13-E15 HydrophobicContact CG1-CG 3.86Å; V13-C29 CarbonylContact C-O 3.49Å; V13-C29 WeakPolarHBondContact CA-O 3.36Å; V13-C29 HydrophobicContact CG1-CB 4.47Å; V13-K30 HydrophobicContact CG2-CG 4.35Å; V13-F87 HydrophobicContact CG2-CB 4.15Å; V13-F87 HydrophobicContact CG2-CD1 3.76Å; V13-F87 HydrophobicContact CG2-CG 4.16Å; V13-L88 PolarHBondContact N-O 3.05Å; V13-Y89 HydrophobicContact CB-CD1 3.86Å; V13-Y89 HydrophobicContact CB-CE1 3.99Å; V13-Y89 HydrophobicContact CG1-CD1 4.08Å; V13-Y89 HydrophobicContact CG1-CE1 4.12Å; V13-Y89 HydrophobicContact CG2-CD1 4.36Å; V13-Y89 HydrophobicContact CG2-CE1 4.03Å; V13-I90 PolarHBondContact O-N 2.98Å
14I95.8Very high83.9Confident4 Ų487.4 Ų87.42%0.02142%0.415CS..EExtended strand (participates in β ladder)trans-119.5111.2178.1-50.4177.5000108.6V12 L26 C29 F31 L42 V46 I90 Y92V12-I14 HydrophobicContact CG1-CD1 4.26Å; V12-I14 HydrophobicContact CG1-CG1 3.75Å; I14-L26 HydrophobicContact CB-CD1 4.4Å; I14-L26 HydrophobicContact CG2-CD1 4.03Å; I14-C29 PolarHBondContact N-O 3.43Å; I14-C29 WeakPolarHBondContact O-CA 3.43Å; I14-C29 WeakPolarHBondContact O-CB 3.35Å; I14-F31 HydrophobicContact CB-CD2 4.04Å; I14-F31 HydrophobicContact CB-CE2 3.9Å; I14-F31 HydrophobicContact CD1-CD2 3.76Å; I14-F31 HydrophobicContact CD1-CE2 4.13Å; I14-F31 HydrophobicContact CG1-CD2 3.82Å; I14-F31 HydrophobicContact CG1-CE2 4.18Å; I14-L42 HydrophobicContact CD1-CD1 3.99Å; I14-L42 HydrophobicContact CD1-CD2 4.5Å; I14-V46 HydrophobicContact CD1-CG2 4.05Å; I14-V46 HydrophobicContact CG2-CG2 4.39Å; I14-I90 VanDerWaalsContact CA-O 3.27Å; I14-I90 WeakPolarHBondContact CA-O 3.31Å; I14-I90 HydrophobicContact CG1-CB 4.28Å; I14-Y92 HydrophobicContact CG2-CD1 3.92Å
15E96.2Very high86.3Confident95 Ų9587.7 Ų87.744%0.44441%0.412SS..EExtended strand (participates in β ladder)trans-122.9161.1-176.3-71.1-176.3147.300111.9V13 C29 I90 V91 Y92V13-E15 HydrophobicContact CG1-CG 3.86Å; E15-C29 HydrophobicContact CG-CB 3.69Å; E15-I90 PolarHBondContact N-O 3.26Å; E15-V91 CarbonylContact O-C 3.52Å; E15-V91 WeakPolarHBondContact O-CA 3.35Å; E15-Y92 VanDerWaalsContact C-CD1 3.49Å; E15-Y92 WeakPolarHBondContact O-CD1 3.48Å; E15-Y92 VanDerWaalsContact O-CE1 3.31Å; E15-Y92 WeakPolarHBondContact O-CE1 3.48Å; E15-Y92 PolarHBondContact O-N 3.2Å
16R95.9Very high89Confident92 Ų9283.3 Ų83.335%0.34739%0.389SS..EExtended strand (participates in β ladder)trans-76.1134.6174.6-163.7169.267.7172.40108.5E20 L23 L25 Y92R16-E20 HydrophobicContact CG-CB 3.78Å; R16-E20 HydrophobicContact CG-CG 3.71Å; R16-L23 WeakPolarHBondContact CD-O 3.37Å; R16-L23 PolarHBondContact NH1-O 2.74Å; R16-L25 HydrophobicContact CB-CD2 4.02Å; R16-Y92 HydrophobicContact CB-CE1 3.97Å; R16-Y92 HydrophobicContact CB-CE2 3.87Å; R16-Y92 VanDerWaalsContact CB-CZ 3.48Å; R16-Y92 WeakPolarHBondContact CB-OH 3.5Å; R16-Y92 HydrophobicContact CG-CD2 4.2Å; R16-Y92 HydrophobicContact CG-CE2 3.54Å; R16-Y92 VanDerWaalsContact N-CE1 3.33Å
17F94.5Very high91.3Very high72 Ų7281.8 Ų81.832%0.31639%0.39SS..PPolyproline II helixtrans-56.1141.9174.6-173.5-99000111.1G19 E20 L61 V91 Y92F17-G19 PolarHBondContact O-N 3.43Å; F17-E20 HydrophobicContact CB-CB 4.28Å; F17-E20 VanDerWaalsContact O-CB 3.27Å; F17-E20 WeakPolarHBondContact O-CB 3.41Å; F17-E20 PolarHBondContact O-N 2.81Å; F17-E20 VanDerWaalsContact O-N 3.11Å; F17-L61 HydrophobicContact CD2-CD1 4.38Å; F17-V91 HydrophobicContact CB-CB 4.36Å; F17-V91 HydrophobicContact CD2-CB 4.35Å; F17-V91 HydrophobicContact CD2-CG2 3.82Å; F17-Y92 WeakPolarHBondContact CB-O 3.12Å; F17-Y92 PolarHBondContact N-O 3.18Å
18D92.3Very high92.9Very high154 Ų15480.9 Ų80.982%0.82439%0.387SS*.THydrogen-bonded Turntrans-65.8129.8178.1-171.630.3000110.6
19G91.7Very high94.2Very high52 Ų5278.8 Ų78.854%0.53638%0.379SS..THydrogen-bonded Turntrans82.9-1.3-173.300000116.1F17 R21F17-G19 PolarHBondContact O-N 3.43Å; G19-R21 WeakPolarHBondContact O-CG 3.3Å; G19-R21 PolarHBondContact O-N 3Å
20E93.5Very high94.5Very high7 Ų782.8 Ų82.83%0.03339%0.394CS..  trans-67.3127.1167.6172.455.9-117.900110.9R16 F17 Y22 L23 T93 S94R16-E20 HydrophobicContact CG-CB 3.78Å; R16-E20 HydrophobicContact CG-CG 3.71Å; F17-E20 HydrophobicContact CB-CB 4.28Å; F17-E20 VanDerWaalsContact O-CB 3.27Å; F17-E20 WeakPolarHBondContact O-CB 3.41Å; F17-E20 PolarHBondContact O-N 2.81Å; F17-E20 VanDerWaalsContact O-N 3.11Å; E20-Y22 WeakPolarHBondContact OE1-CA 3.22Å; E20-Y22 WeakPolarHBondContact OE1-CB 3.21Å; E20-Y22 PolarHBondContact OE1-N 3.26Å; E20-L23 HydrophobicContact CG-CB 4.01Å; E20-L23 HydrophobicContact CG-CD1 4.49Å; E20-L23 HydrophobicContact CG-CG 4.3Å; E20-L23 PolarHBondContact OE1-N 2.9Å; E20-T93 WeakPolarHBondContact OE2-CA 3.44Å; E20-T93 PolarHBondContact OE2-OG1 3.26Å; E20-S94 VanDerWaalsContact CD-OG 3.28Å; E20-S94 PolarHBondContact OE1-OG 3.09Å; E20-S94 VanDerWaalsContact OE1-OG 3.06Å; E20-S94 WeakPolarHBondContact OE2-CB 3.45Å; E20-S94 PolarHBondContact OE2-N 3.47Å; E20-S94 PolarHBondContact OE2-OG 3.14Å
21R92.9Very high94.6Very high214 Ų21482.7 Ų82.781%0.80839%0.393SS*.  trans-120.9-15.7-171.6-65.9-179.4-174.8-170.70114.8G19G19-R21 WeakPolarHBondContact O-CG 3.3Å; G19-R21 PolarHBondContact O-N 3Å
22Y94.8Very high94.7Very high173 Ų17384 Ų8468%0.67840%0.403SS*.SBendtrans-101.8-26.2-171.7-58.1-75.3000112.7E20E20-Y22 WeakPolarHBondContact OE1-CA 3.22Å; E20-Y22 WeakPolarHBondContact OE1-CB 3.21Å; E20-Y22 PolarHBondContact OE1-N 3.26Å
23L96.5Very high94.7Very high4 Ų484.4 Ų84.42%0.02141%0.405CS..SBendtrans-90.1139.8177.3-58.5-177.5000112R16 E20 L52 L58 Y92R16-L23 WeakPolarHBondContact CD-O 3.37Å; R16-L23 PolarHBondContact NH1-O 2.74Å; E20-L23 HydrophobicContact CG-CB 4.01Å; E20-L23 HydrophobicContact CG-CD1 4.49Å; E20-L23 HydrophobicContact CG-CG 4.3Å; E20-L23 PolarHBondContact OE1-N 2.9Å; L23-L52 HydrophobicContact CD2-CD1 3.91Å; L23-L52 HydrophobicContact CD2-CD2 3.83Å; L23-L58 HydrophobicContact CD1-CD1 3.76Å; L23-Y92 HydrophobicContact CB-CD2 4.24Å; L23-Y92 HydrophobicContact CB-CE2 4.04Å; L23-Y92 HydrophobicContact CD1-CD2 3.81Å; L23-Y92 HydrophobicContact CD1-CE2 4.45Å
24P96.9Very high94.6Very high57 Ų5786.2 Ų86.237%0.3742%0.417SS..PPolyproline II helixtrans-67.3166.5176.327-28.9000111.1L50 L52 Y92P24-L50 HydrophobicContact CG-CB 4.1Å; P24-L50 HydrophobicContact CG-CD2 3.88Å; P24-L50 WeakPolarHBondContact CG-O 3.47Å; P24-L50 VanDerWaalsContact O-CD2 3.3Å; P24-L50 WeakPolarHBondContact O-CD2 3.1Å; P24-L52 HydrophobicContact CG-CD2 4.28Å; P24-Y92 WeakPolarHBondContact O-CE2 3.3Å; P24-Y92 PolarHBondContact O-OH 3.27Å
25L96.5Very high94.4Very high116 Ų11688.9 Ų88.961%0.60743%0.431SS*.PPolyproline II helixtrans-80.6146.5171.7-69.9170.9000110.4R16 Y92R16-L25 HydrophobicContact CB-CD2 4.02Å; L25-Y92 WeakPolarHBondContact CA-OH 3.39Å
26L95.7Very high94.2Very high27 Ų2790.4 Ų90.414%0.14144%0.438CS..PPolyproline II helixtrans-78.1141.2165.2-69.5171.8000109.4I14 R28 F31 R49 L50 Y92I14-L26 HydrophobicContact CB-CD1 4.4Å; I14-L26 HydrophobicContact CG2-CD1 4.03Å; L26-R28 VanDerWaalsContact CB-O 3.31Å; L26-R28 WeakPolarHBondContact CB-O 3.44Å; L26-R28 PolarHBondContact O-N 3.24Å; L26-F31 HydrophobicContact CD1-CE2 4.2Å; L26-F31 HydrophobicContact CD1-CZ 4.23Å; L26-R49 HydrophobicContact CD2-CB 3.74Å; L26-L50 HydrophobicContact CD2-CD2 3.64Å; L26-L50 HydrophobicContact CD2-CG 3.89Å; L26-L50 HydrophobicContact CG-CD2 3.86Å; L26-L50 HydrophobicContact CG-CG 4.46Å; L26-Y92 HydrophobicContact CD1-CD1 4.35Å; L26-Y92 HydrophobicContact CD1-CE1 3.79Å; L26-Y92 HydrophobicContact CG-CE1 4.02Å; L26-Y92 PolarHBondContact N-OH 3.07Å
27D92.9Very high94.1Very high171 Ų17186.7 Ų86.791%0.91443%0.425SS*.SBendtrans-63.8-21.8175.8-63.1-34.1000113.4
28R93.2Very high94.1Very high194 Ų19484.9 Ų84.973%0.73242%0.421SS*.  trans-140.4145.5177.9-60.1-175.7-174.2-173.41.3109.2L26 F31L26-R28 VanDerWaalsContact CB-O 3.31Å; L26-R28 WeakPolarHBondContact CB-O 3.44Å; L26-R28 PolarHBondContact O-N 3.24Å; R28-F31 HydrophobicContact CB-CE1 4.41Å; R28-F31 HydrophobicContact CB-CZ 4.34Å; R28-F31 WeakPolarHBondContact O-CE2 3.33Å; R28-F31 WeakPolarHBondContact O-CZ 3.28Å
29C94.4Very high94Very high43 Ų4377.9 Ų77.929%0.29138%0.383SS..  trans-104.3-22.3174.260.70000113.9V13 I14 E15 F31V13-C29 CarbonylContact C-O 3.49Å; V13-C29 WeakPolarHBondContact CA-O 3.36Å; V13-C29 HydrophobicContact CG1-CB 4.47Å; I14-C29 PolarHBondContact N-O 3.43Å; I14-C29 WeakPolarHBondContact O-CA 3.43Å; I14-C29 WeakPolarHBondContact O-CB 3.35Å; E15-C29 HydrophobicContact CG-CB 3.69Å; C29-F31 VanDerWaalsContact O-CD2 3.24Å; C29-F31 WeakPolarHBondContact O-CD2 3.18Å; C29-F31 WeakPolarHBondContact O-CE2 3.46Å
30K94.8Very high94.1Very high140 Ų14078.3 Ų78.361%0.60938%0.375SS*.EExtended strand (participates in β ladder)trans-96.3129.5-178-61.2-172.1177.3-173.30111.8V13V13-K30 HydrophobicContact CG2-CG 4.35Å
31F94.4Very high94.2Very high28 Ų2882.4 Ų82.412%0.12339%0.394CS..EExtended strand (participates in β ladder)trans-134.7149.8-175.6-59.8-75.4000112.1V12 I14 L26 R28 C29 V33V12-F31 PolarHBondContact N-O 3.48Å; V12-F31 PolarHBondContact O-N 3.35Å; I14-F31 HydrophobicContact CB-CD2 4.04Å; I14-F31 HydrophobicContact CB-CE2 3.9Å; I14-F31 HydrophobicContact CD1-CD2 3.76Å; I14-F31 HydrophobicContact CD1-CE2 4.13Å; I14-F31 HydrophobicContact CG1-CD2 3.82Å; I14-F31 HydrophobicContact CG1-CE2 4.18Å; L26-F31 HydrophobicContact CD1-CE2 4.2Å; L26-F31 HydrophobicContact CD1-CZ 4.23Å; R28-F31 HydrophobicContact CB-CE1 4.41Å; R28-F31 HydrophobicContact CB-CZ 4.34Å; R28-F31 WeakPolarHBondContact O-CE2 3.33Å; R28-F31 WeakPolarHBondContact O-CZ 3.28Å; C29-F31 VanDerWaalsContact O-CD2 3.24Å; C29-F31 WeakPolarHBondContact O-CD2 3.18Å; C29-F31 WeakPolarHBondContact O-CE2 3.46Å; F31-V33 HydrophobicContact CB-CG2 4.19Å
32L95Very high94.2Very high115 Ų11572.4 Ų72.460%0.60236%0.357SS*.EExtended strand (participates in β ladder)trans-100.8119.6164-73.6-179.4000107.1D9 F10 Q11D9-L32 HydrophobicContact CB-CB 3.98Å; D9-L32 HydrophobicContact CB-CD2 4.19Å; D9-L32 HydrophobicContact CB-CG 4.47Å; F10-L32 WeakPolarHBondContact O-CA 3.5Å; Q11-L32 HydrophobicContact CG-CD2 4.02Å
33V94.1Very high94.1Very high8 Ų865.7 Ų65.75%0.04833%0.332CS..EExtended strand (participates in β ladder)trans-117.6123.5-176.5-173.10000109.7F10 V12 F31 V37 L42 M74F10-V33 PolarHBondContact N-O 3.21Å; F10-V33 PolarHBondContact O-N 3.08Å; V12-V33 HydrophobicContact CB-CG2 4Å; V12-V33 HydrophobicContact CG2-CB 4.03Å; V12-V33 HydrophobicContact CG2-CG2 3.61Å; F31-V33 HydrophobicContact CB-CG2 4.19Å; V33-V37 HydrophobicContact CG1-CB 3.83Å; V33-V37 HydrophobicContact CG1-CG1 3.94Å; V33-V37 HydrophobicContact CG1-CG2 4.2Å; V33-L42 HydrophobicContact CG2-CD1 4.38Å; V33-M74 HydrophobicContact CB-CE 4.31Å; V33-M74 HydrophobicContact CB-CG 4.05Å; V33-M74 HydrophobicContact CG1-CB 4.26Å; V33-M74 HydrophobicContact CG1-CE 3.88Å; V33-M74 HydrophobicContact CG1-CG 3.89Å
34P94.3Very high94.1Very high45 Ų4569.7 Ų69.729%0.29235%0.351SS..EExtended strand (participates in β ladder)trans-60.4144.6177.6-2230.9000112.5H36 V37P34-H36 VanDerWaalsContact C-N 3.32Å; P34-H36 VanDerWaalsContact CB-CE1 3.44Å; P34-H36 WeakPolarHBondContact CB-CE1 3.46Å; P34-H36 PolarHBondContact O-N 3.39Å; P34-V37 HydrophobicContact CB-CG2 4.05Å; P34-V37 HydrophobicContact CG-CG2 4.14Å; P34-V37 WeakPolarHBondContact O-CB 3.41Å; P34-V37 PolarHBondContact O-N 2.83Å; P34-V37 VanDerWaalsContact O-N 3.1Å
35D92.4Very high94Very high59 Ų5969.4 Ų69.432%0.31635%0.345SS..THydrogen-bonded Turntrans-47.1-42.4-179.257.11.8000117L8 F10 V37 M74 A75L8-D35 HydrophobicContact CB-CB 4.26Å; L8-D35 PolarHBondContact O-N 3.45Å; F10-D35 HydrophobicContact CD2-CB 4.3Å; F10-D35 HydrophobicContact CE2-CB 3.62Å; D35-V37 VanDerWaalsContact C-N 3.34Å; D35-M74 PolarHBondContact O-N 2.87Å; D35-A75 HydrophobicContact CB-CB 4.15Å; D35-A75 PolarHBondContact O-N 3.32Å
36H92.2Very high93.9Very high128 Ų12864 Ų6459%0.59332%0.318SS*.THydrogen-bonded Turntrans-81.3-10.5-175.859.9-81.7000113.9P34 T38P34-H36 VanDerWaalsContact C-N 3.32Å; P34-H36 VanDerWaalsContact CB-CE1 3.44Å; P34-H36 WeakPolarHBondContact CB-CE1 3.46Å; P34-H36 PolarHBondContact O-N 3.39Å; H36-T38 PolarHBondContact O-N 2.78Å
37V93.4Very high94Very high13 Ų1364.9 Ų64.98%0.07932%0.319CS..  trans-64.8123.1179.4172.50000109.1V33 P34 D35 E41 L42 I45 M74V33-V37 HydrophobicContact CG1-CB 3.83Å; V33-V37 HydrophobicContact CG1-CG1 3.94Å; V33-V37 HydrophobicContact CG1-CG2 4.2Å; P34-V37 HydrophobicContact CB-CG2 4.05Å; P34-V37 HydrophobicContact CG-CG2 4.14Å; P34-V37 WeakPolarHBondContact O-CB 3.41Å; P34-V37 PolarHBondContact O-N 2.83Å; P34-V37 VanDerWaalsContact O-N 3.1Å; D35-V37 VanDerWaalsContact C-N 3.34Å; V37-E41 HydrophobicContact CG1-CB 3.97Å; V37-L42 HydrophobicContact CG1-CB 4.2Å; V37-I45 HydrophobicContact CG1-CD1 4.47Å; V37-M74 WeakPolarHBondContact O-CB 3.45Å; V37-M74 PolarHBondContact O-N 3.41Å
38T93.6Very high94.1Very high35 Ų3564.9 Ų64.922%0.21531%0.306CS..BIsolated β-bridgetrans-79.5160.6175.661.30000111.7H36 T40 E41 L42 V72H36-T38 PolarHBondContact O-N 2.78Å; T38-T40 PolarHBondContact O-N 3.08Å; T38-E41 WeakPolarHBondContact CB-OE2 3.5Å; T38-E41 PolarHBondContact N-OE2 3.36Å; T38-E41 PolarHBondContact O-N 2.84Å; T38-E41 VanDerWaalsContact O-N 3.11Å; T38-E41 VanDerWaalsContact OG1-CG 3.3Å; T38-E41 WeakPolarHBondContact OG1-CG 3.3Å; T38-E41 PolarHBondContact OG1-N 3.21Å; T38-E41 PolarHBondContact OG1-OE2 2.85Å; T38-L42 PolarHBondContact O-N 3.03Å; T38-V72 WeakPolarHBondContact CA-O 3.4Å
39M91.4Very high94.3Very high7 Ų762.7 Ų62.73%0.03430%0.298CS..Hα-helixtrans-57.9-33.6172-78.4-57.8-58.300113.4L42 M43 L60 V62 L67 V72 L77M39-L42 HydrophobicContact CE-CD2 4.32Å; M39-L42 HydrophobicContact SD-CD2 3.99Å; M39-M43 WeakPolarHBondContact O-CB 3.36Å; M39-M43 PolarHBondContact O-N 2.91Å; M39-L60 HydrophobicContact CE-CB 3.95Å; M39-L60 HydrophobicContact CE-CD1 3.83Å; M39-V62 HydrophobicContact CE-CG2 4.41Å; M39-L67 HydrophobicContact CE-CD1 3.97Å; M39-L67 HydrophobicContact CG-CD1 3.63Å; M39-L67 HydrophobicContact SD-CD1 3.95Å; M39-V72 PolarHBondContact N-O 3.19Å; M39-V72 VanDerWaalsContact N-O 3.08Å; M39-L77 HydrophobicContact CG-CD2 3.98Å; M39-L77 HydrophobicContact SD-CD2 3.3Å; M39-L77 WeakPolarHBondContact SD-CD2 3.27Å
40T92.9Very high94.4Very high61 Ų6161.1 Ų61.137%0.37429%0.286SS..Hα-helixtrans-61.7-49.2173.1-59.80000111.1T38 M43 Q44 H70T38-T40 PolarHBondContact O-N 3.08Å; T40-M43 PolarHBondContact O-N 3.07Å; T40-Q44 WeakPolarHBondContact O-CG 3.36Å; T40-Q44 PolarHBondContact O-N 3.48Å; T40-H70 PolarHBondContact N-O 2.82Å; T40-H70 VanDerWaalsContact N-O 3.12Å; T40-H70 WeakPolarHBondContact OG1-CB 3.28Å; T40-H70 PolarHBondContact OG1-O 2.89Å
41E94.9Very high94.5Very high92 Ų9262.7 Ų62.743%0.4330%0.296SS..Hα-helixtrans-65.5-40.7179.3-71.3164.2133.800111.7V37 T38 M43 Q44 I45V37-E41 HydrophobicContact CG1-CB 3.97Å; T38-E41 WeakPolarHBondContact CB-OE2 3.5Å; T38-E41 PolarHBondContact N-OE2 3.36Å; T38-E41 PolarHBondContact O-N 2.84Å; T38-E41 VanDerWaalsContact O-N 3.11Å; T38-E41 VanDerWaalsContact OG1-CG 3.3Å; T38-E41 WeakPolarHBondContact OG1-CG 3.3Å; T38-E41 PolarHBondContact OG1-N 3.21Å; T38-E41 PolarHBondContact OG1-OE2 2.85Å; E41-M43 VanDerWaalsContact C-N 3.34Å; E41-M43 PolarHBondContact O-N 3.49Å; E41-Q44 PolarHBondContact O-N 3.08Å; E41-I45 VanDerWaalsContact O-CG1 3.28Å; E41-I45 WeakPolarHBondContact O-CG1 3.42Å; E41-I45 PolarHBondContact O-N 3.05Å
42L93.9Very high94.6Very high5 Ų562.2 Ų62.23%0.02630%0.295CS..Hα-helixtrans-59.1-45.5174.4-176.662.2000111.2I14 V33 V37 T38 M39 Q44 I45 V46 L60 M74 I90I14-L42 HydrophobicContact CD1-CD1 3.99Å; I14-L42 HydrophobicContact CD1-CD2 4.5Å; V33-L42 HydrophobicContact CG2-CD1 4.38Å; V37-L42 HydrophobicContact CG1-CB 4.2Å; T38-L42 PolarHBondContact O-N 3.03Å; M39-L42 HydrophobicContact CE-CD2 4.32Å; M39-L42 HydrophobicContact SD-CD2 3.99Å; L42-Q44 VanDerWaalsContact C-N 3.31Å; L42-Q44 PolarHBondContact O-N 3.33Å; L42-I45 WeakPolarHBondContact O-CB 3.41Å; L42-I45 PolarHBondContact O-N 2.79Å; L42-I45 VanDerWaalsContact O-N 3.13Å; L42-V46 WeakPolarHBondContact O-CG2 3.33Å; L42-V46 PolarHBondContact O-N 2.75Å; L42-L60 HydrophobicContact CD2-CD1 4.26Å; L42-L60 HydrophobicContact CG-CD1 4.15Å; L42-M74 HydrophobicContact CD2-CE 3.57Å; L42-I90 HydrophobicContact CD2-CD1 3.68Å
43M93.4Very high94.6Very high32 Ų3261.8 Ų61.816%0.15829%0.289CS..Hα-helixtrans-59.6-41.3175.9-174.9-179.5-72.400111.9M39 T40 E41 V46 R47 L58 L60M39-M43 WeakPolarHBondContact O-CB 3.36Å; M39-M43 PolarHBondContact O-N 2.91Å; T40-M43 PolarHBondContact O-N 3.07Å; E41-M43 VanDerWaalsContact C-N 3.34Å; E41-M43 PolarHBondContact O-N 3.49Å; M43-V46 PolarHBondContact O-N 2.77Å; M43-R47 VanDerWaalsContact O-CB 3.28Å; M43-R47 WeakPolarHBondContact O-CB 3.44Å; M43-R47 PolarHBondContact O-N 3.12Å; M43-L58 HydrophobicContact CG-CD2 4.02Å; M43-L58 HydrophobicContact CG-CG 4.47Å; M43-L60 HydrophobicContact CB-CD1 3.99Å; M43-L60 HydrophobicContact CB-CG 4.49Å; M43-L60 HydrophobicContact CE-CG 4.32Å
44Q94.7Very high94.6Very high87 Ų8766.1 Ų66.141%0.40732%0.318SS..Hα-helixtrans-66.7-35.8175.1-66.2-58.4-32.500112.5T40 E41 L42 R48T40-Q44 WeakPolarHBondContact O-CG 3.36Å; T40-Q44 PolarHBondContact O-N 3.48Å; E41-Q44 PolarHBondContact O-N 3.08Å; L42-Q44 VanDerWaalsContact C-N 3.31Å; L42-Q44 PolarHBondContact O-N 3.33Å; Q44-R48 WeakPolarHBondContact O-CG 3.07Å; Q44-R48 PolarHBondContact O-N 3.09Å; Q44-R48 VanDerWaalsContact O-N 3.07Å; Q44-R48 PolarHBondContact O-NE 2.91Å
45I95Very high94.6Very high51 Ų5170.6 Ų70.626%0.26234%0.339SS..Hα-helixtrans-64.2-48.9173.7-68.1162.4000110.6V37 E41 L42 R48 R49V37-I45 HydrophobicContact CG1-CD1 4.47Å; E41-I45 VanDerWaalsContact O-CG1 3.28Å; E41-I45 WeakPolarHBondContact O-CG1 3.42Å; E41-I45 PolarHBondContact O-N 3.05Å; L42-I45 WeakPolarHBondContact O-CB 3.41Å; L42-I45 PolarHBondContact O-N 2.79Å; L42-I45 VanDerWaalsContact O-N 3.13Å; I45-R48 PolarHBondContact O-N 3Å; I45-R49 PolarHBondContact O-N 3.33Å
46V95.6Very high94.7Very high4 Ų471.4 Ų71.42%0.02434%0.341CS..Hα-helixtrans-61.6-45.7178.3175.10000110.6I14 L42 M43 R48 R49 L50 L58 L60I14-V46 HydrophobicContact CD1-CG2 4.05Å; I14-V46 HydrophobicContact CG2-CG2 4.39Å; L42-V46 WeakPolarHBondContact O-CG2 3.33Å; L42-V46 PolarHBondContact O-N 2.75Å; M43-V46 PolarHBondContact O-N 2.77Å; V46-R48 VanDerWaalsContact C-N 3.33Å; V46-R48 PolarHBondContact O-N 3.34Å; V46-R49 PolarHBondContact O-N 3.1Å; V46-R49 VanDerWaalsContact O-N 3.17Å; V46-L50 HydrophobicContact CG1-CD1 3.68Å; V46-L50 HydrophobicContact CG1-CG 4.21Å; V46-L50 WeakPolarHBondContact O-CB 3.27Å; V46-L50 WeakPolarHBondContact O-CG 3.19Å; V46-L50 PolarHBondContact O-N 3.24Å; V46-L58 HydrophobicContact CB-CD2 4.38Å; V46-L58 HydrophobicContact CG1-CD1 4.47Å; V46-L58 HydrophobicContact CG1-CD2 4.13Å; V46-L60 HydrophobicContact CG1-CD2 4.28Å; V46-L60 HydrophobicContact CG2-CD2 4.44Å
47R96.3Very high94.8Very high44 Ų4467.6 Ų67.617%0.16633%0.332CS..Hα-helixtrans-54.3-46.3175.4-177.3177.4-81.7-99.21.9112.5M43 L50 Q51 L52 H53 P54 Q56 L58M43-R47 VanDerWaalsContact O-CB 3.28Å; M43-R47 WeakPolarHBondContact O-CB 3.44Å; M43-R47 PolarHBondContact O-N 3.12Å; R47-L50 PolarHBondContact O-N 3.21Å; R47-Q51 PolarHBondContact O-N 2.9Å; R47-Q51 VanDerWaalsContact O-N 3.1Å; R47-L52 HydrophobicContact CG-CB 4.02Å; R47-L52 HydrophobicContact CG-CD1 4.46Å; R47-L52 PolarHBondContact O-N 2.87Å; R47-L52 VanDerWaalsContact O-N 3.14Å; R47-H53 PolarHBondContact NH1-O 3.18Å; R47-P54 VanDerWaalsContact NH1-C 3.34Å; R47-P54 PolarHBondContact NH1-O 2.83Å; R47-Q56 PolarHBondContact NH1-O 2.94Å; R47-Q56 PolarHBondContact NH2-O 2.88Å; R47-L58 HydrophobicContact CB-CD2 3.85Å
48R96.4Very high94.8Very high172 Ų17267.4 Ų67.465%0.64933%0.33SS*.Hα-helixtrans-65.8-41.2177.8-75.6-177.7-68.7-144.90.7112.5Q44 I45 V46 L50 Q51Q44-R48 WeakPolarHBondContact O-CG 3.07Å; Q44-R48 PolarHBondContact O-N 3.09Å; Q44-R48 VanDerWaalsContact O-N 3.07Å; Q44-R48 PolarHBondContact O-NE 2.91Å; I45-R48 PolarHBondContact O-N 3Å; V46-R48 VanDerWaalsContact C-N 3.33Å; V46-R48 PolarHBondContact O-N 3.34Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-Q51 PolarHBondContact O-N 2.83Å; R48-Q51 VanDerWaalsContact O-N 3.13Å
49R96.4Very high94.7Very high147 Ų14769.1 Ų69.156%0.55534%0.335SS*.Hα-helixtrans-66.2-37.2177.4-77.5-167.5167.9142.2-0.3112.8L26 I45 V46 Q51L26-R49 HydrophobicContact CD2-CB 3.74Å; I45-R49 PolarHBondContact O-N 3.33Å; V46-R49 PolarHBondContact O-N 3.1Å; V46-R49 VanDerWaalsContact O-N 3.17Å; R49-Q51 PolarHBondContact O-N 3.25Å
50L97.1Very high94.8Very high10 Ų1069.3 Ų69.35%0.05234%0.336CS..THydrogen-bonded Turntrans-76.7-5.9173.8-67.6174.6000113.2P24 L26 V46 R47 R48 L52 L58 Y92P24-L50 HydrophobicContact CG-CB 4.1Å; P24-L50 HydrophobicContact CG-CD2 3.88Å; P24-L50 WeakPolarHBondContact CG-O 3.47Å; P24-L50 VanDerWaalsContact O-CD2 3.3Å; P24-L50 WeakPolarHBondContact O-CD2 3.1Å; L26-L50 HydrophobicContact CD2-CD2 3.64Å; L26-L50 HydrophobicContact CD2-CG 3.89Å; L26-L50 HydrophobicContact CG-CD2 3.86Å; L26-L50 HydrophobicContact CG-CG 4.46Å; V46-L50 HydrophobicContact CG1-CD1 3.68Å; V46-L50 HydrophobicContact CG1-CG 4.21Å; V46-L50 WeakPolarHBondContact O-CB 3.27Å; V46-L50 WeakPolarHBondContact O-CG 3.19Å; V46-L50 PolarHBondContact O-N 3.24Å; R47-L50 PolarHBondContact O-N 3.21Å; R48-L50 VanDerWaalsContact C-N 3.34Å; L50-L52 HydrophobicContact CB-CD1 4.14Å; L50-L52 HydrophobicContact CB-CD2 3.82Å; L50-L52 HydrophobicContact CB-CG 3.62Å; L50-L52 HydrophobicContact CD1-CD1 4.02Å; L50-L52 HydrophobicContact CD1-CG 4.4Å; L50-L52 PolarHBondContact O-N 3.2Å; L50-L58 HydrophobicContact CD1-CD1 4.04Å; L50-Y92 HydrophobicContact CD1-CD2 3.93Å; L50-Y92 HydrophobicContact CD1-CE2 3.96Å; L50-Y92 HydrophobicContact CD1-CG 4.49Å; L50-Y92 HydrophobicContact CD2-CE2 4.03Å
51Q96.9Very high94.7Very high174 Ų17466.7 Ų66.781%0.81332%0.32SS*.THydrogen-bonded Turntrans54.136.3-177.6-56-179.2-1.900113.6R47 R48 R49R47-Q51 PolarHBondContact O-N 2.9Å; R47-Q51 VanDerWaalsContact O-N 3.1Å; R48-Q51 PolarHBondContact O-N 2.83Å; R48-Q51 VanDerWaalsContact O-N 3.13Å; R49-Q51 PolarHBondContact O-N 3.25Å
52L96.7Very high94.5Very high18 Ų1862.4 Ų62.49%0.09430%0.3CS..  trans-74.6141.8-175.6-53.9179.6000111.9L23 P24 R47 L50 Q56 L58L23-L52 HydrophobicContact CD2-CD1 3.91Å; L23-L52 HydrophobicContact CD2-CD2 3.83Å; P24-L52 HydrophobicContact CG-CD2 4.28Å; R47-L52 HydrophobicContact CG-CB 4.02Å; R47-L52 HydrophobicContact CG-CD1 4.46Å; R47-L52 PolarHBondContact O-N 2.87Å; R47-L52 VanDerWaalsContact O-N 3.14Å; L50-L52 HydrophobicContact CB-CD1 4.14Å; L50-L52 HydrophobicContact CB-CD2 3.82Å; L50-L52 HydrophobicContact CB-CG 3.62Å; L50-L52 HydrophobicContact CD1-CD1 4.02Å; L50-L52 HydrophobicContact CD1-CG 4.4Å; L50-L52 PolarHBondContact O-N 3.2Å; L52-Q56 HydrophobicContact CB-CB 4.15Å; L52-L58 HydrophobicContact CD1-CB 4.06Å; L52-L58 HydrophobicContact CD1-CD1 4.22Å; L52-L58 HydrophobicContact CD1-CD2 4.19Å; L52-L58 HydrophobicContact CD1-CG 4.39Å
53H95.5Very high93.9Very high106 Ų10664.7 Ų64.749%0.49131%0.312SS..  trans-60.5146.9166.5-167.4-97.9000110.3R47 D55 Q56R47-H53 PolarHBondContact NH1-O 3.18Å; H53-D55 IonicContact CE1-OD2 3.07Å; H53-D55 PolarHBondContact CE1-OD2 2.91Å; H53-D55 PolarHBondContact ND1-N 2.83Å; H53-D55 IonicContact ND1-OD2 3.27Å; H53-D55 PolarHBondContact ND1-OD2 2.98Å; H53-D55 PolarHBondContact O-N 2.85Å; H53-D55 VanDerWaalsContact O-N 3.09Å; H53-Q56 HydrophobicContact CB-CG 4.16Å; H53-Q56 WeakPolarHBondContact O-CB 3.27Å; H53-Q56 PolarHBondContact O-N 3.46Å
54P93.6Very high93Very high99 Ų9970.7 Ų70.764%0.64334%0.34SS*.THydrogen-bonded Turntrans-48.2-37.8175.5-31.637.4000114R47 Q56R47-P54 VanDerWaalsContact NH1-C 3.34Å; R47-P54 PolarHBondContact NH1-O 2.83Å; P54-Q56 VanDerWaalsContact C-N 3.34Å; P54-Q56 PolarHBondContact O-N 3.26Å
55D94Very high92.2Very high139 Ų13973.3 Ų73.374%0.74335%0.349SS*.THydrogen-bonded Turntrans-78.4-10.8-178.3-55.9-25.8000114.8H53H53-D55 IonicContact CE1-OD2 3.07Å; H53-D55 PolarHBondContact CE1-OD2 2.91Å; H53-D55 PolarHBondContact ND1-N 2.83Å; H53-D55 IonicContact ND1-OD2 3.27Å; H53-D55 PolarHBondContact ND1-OD2 2.98Å; H53-D55 PolarHBondContact O-N 2.85Å; H53-D55 VanDerWaalsContact O-N 3.09Å
56Q94.5Very high91Very high75 Ų7573.7 Ų73.735%0.3536%0.357SS..SBendtrans-74.2130.9175.3-73.1179.1-81.800110.2R47 L52 H53 P54R47-Q56 PolarHBondContact NH1-O 2.94Å; R47-Q56 PolarHBondContact NH2-O 2.88Å; L52-Q56 HydrophobicContact CB-CB 4.15Å; H53-Q56 HydrophobicContact CB-CG 4.16Å; H53-Q56 WeakPolarHBondContact O-CB 3.27Å; H53-Q56 PolarHBondContact O-N 3.46Å; P54-Q56 VanDerWaalsContact C-N 3.34Å; P54-Q56 PolarHBondContact O-N 3.26Å
57A93.7Very high89.7Confident48 Ų4875.5 Ų75.540%0.39737%0.366SS..  trans-69.6139175.300000111F59 S94A57-F59 HydrophobicContact CB-CE2 4.01Å; A57-S94 WeakPolarHBondContact CB-O 3.4Å
58L94.1Very high88Confident9 Ų980.4 Ų80.45%0.04740%0.401CS..  trans-145122.3175.1177.268.5000108.4L23 M43 V46 R47 L50 L52 Y92L23-L58 HydrophobicContact CD1-CD1 3.76Å; M43-L58 HydrophobicContact CG-CD2 4.02Å; M43-L58 HydrophobicContact CG-CG 4.47Å; V46-L58 HydrophobicContact CB-CD2 4.38Å; V46-L58 HydrophobicContact CG1-CD1 4.47Å; V46-L58 HydrophobicContact CG1-CD2 4.13Å; R47-L58 HydrophobicContact CB-CD2 3.85Å; L50-L58 HydrophobicContact CD1-CD1 4.04Å; L52-L58 HydrophobicContact CD1-CB 4.06Å; L52-L58 HydrophobicContact CD1-CD1 4.22Å; L52-L58 HydrophobicContact CD1-CD2 4.19Å; L52-L58 HydrophobicContact CD1-CG 4.39Å; L58-Y92 HydrophobicContact CD1-CD2 4.4Å
59F92.1Very high86.9Confident72 Ų7274.4 Ų74.432%0.31639%0.385SS..EExtended strand (participates in β ladder)trans-118.5143.5172.4-57.5-87.1000108.8A57 Y92 T93 Q95 P96A57-F59 HydrophobicContact CB-CE2 4.01Å; F59-Y92 VanDerWaalsContact O-CA 3.27Å; F59-Y92 WeakPolarHBondContact O-CA 3.42Å; F59-T93 HydrophobicContact CB-CG2 4.25Å; F59-T93 PolarHBondContact N-O 3.11Å; F59-T93 PolarHBondContact O-N 2.94Å; F59-T93 VanDerWaalsContact O-N 3.08Å; F59-Q95 VanDerWaalsContact CD2-C 3.46Å; F59-Q95 WeakPolarHBondContact CD2-O 3.44Å; F59-P96 HydrophobicContact CE1-CB 4.28Å; F59-P96 HydrophobicContact CE2-CB 4.38Å; F59-P96 HydrophobicContact CZ-CB 4.12Å
60L92.3Very high85.9Confident11 Ų1172.3 Ų72.36%0.05838%0.382CS..EExtended strand (participates in β ladder)trans-111.8125.6170.2-60.6-174.8000107.6M39 L42 M43 V46 I90 V91M39-L60 HydrophobicContact CE-CB 3.95Å; M39-L60 HydrophobicContact CE-CD1 3.83Å; L42-L60 HydrophobicContact CD2-CD1 4.26Å; L42-L60 HydrophobicContact CG-CD1 4.15Å; M43-L60 HydrophobicContact CB-CD1 3.99Å; M43-L60 HydrophobicContact CB-CG 4.49Å; M43-L60 HydrophobicContact CE-CG 4.32Å; V46-L60 HydrophobicContact CG1-CD2 4.28Å; V46-L60 HydrophobicContact CG2-CD2 4.44Å; L60-I90 HydrophobicContact CB-CG2 3.98Å; L60-I90 HydrophobicContact CD2-CG2 4.34Å; L60-V91 WeakPolarHBondContact CA-O 3.48Å
61L91.2Very high85.4Confident6 Ų677.2 Ų77.23%0.03141%0.412CS..EExtended strand (participates in β ladder)trans-111.3131.2177-45.8176.6000108.3F17 K65 S66 I90 V91 T93F17-L61 HydrophobicContact CD2-CD1 4.38Å; L61-K65 CarbonylContact C-O 3.55Å; L61-K65 WeakPolarHBondContact CA-O 3.34Å; L61-S66 WeakPolarHBondContact CD2-OG 3.34Å; L61-I90 CarbonylContact O-C 3.55Å; L61-I90 VanDerWaalsContact O-CA 3.28Å; L61-I90 WeakPolarHBondContact O-CA 3.36Å; L61-I90 WeakPolarHBondContact O-CG2 3.24Å; L61-V91 HydrophobicContact CB-CG2 3.7Å; L61-V91 HydrophobicContact CD1-CG2 4.12Å; L61-V91 HydrophobicContact CG-CG2 4.25Å; L61-V91 PolarHBondContact N-O 2.83Å; L61-V91 PolarHBondContact O-N 2.78Å; L61-T93 HydrophobicContact CD1-CG2 4.06Å; L61-T93 HydrophobicContact CG-CG2 4.37Å
62V90.9Very high85Confident2 Ų270 Ų701%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-105.9126.2177.6-175.40000107.3M39 E64 K65 L67 L77 E81 L88 I90M39-V62 HydrophobicContact CE-CG2 4.41Å; V62-E64 PolarHBondContact O-N 3.47Å; V62-K65 PolarHBondContact N-O 3.08Å; V62-K65 PolarHBondContact O-N 2.82Å; V62-L67 HydrophobicContact CB-CD1 4.47Å; V62-L67 HydrophobicContact CB-CG 4.34Å; V62-L67 HydrophobicContact CG2-CD1 3.61Å; V62-L67 HydrophobicContact CG2-CG 3.92Å; V62-L77 HydrophobicContact CG1-CD1 4.17Å; V62-L77 HydrophobicContact CG2-CD1 4.33Å; V62-L77 HydrophobicContact CG2-CD2 4.05Å; V62-E81 HydrophobicContact CG1-CB 3.72Å; V62-E81 HydrophobicContact CG1-CG 4.02Å; V62-L88 HydrophobicContact CG1-CD1 3.7Å; V62-L88 HydrophobicContact CG1-CG 4.43Å; V62-I90 HydrophobicContact CG2-CD1 4.33Å; V62-I90 HydrophobicContact CG2-CG1 4.15Å
63N82.3Confident84.8Confident53 Ų5370.3 Ų70.328%0.28338%0.383SS..THydrogen-bonded Turntrans47.945.1-173.3-64.7-27.1000112.4K65 E81 Y89N63-K65 PolarHBondContact O-N 2.79Å; N63-K65 VanDerWaalsContact O-N 3.08Å; N63-E81 PolarHBondContact ND2-O 3.21Å; N63-E81 PolarHBondContact ND2-OE2 3.34Å; N63-Y89 PolarHBondContact N-O 2.95Å
64E73.6Confident84.7Confident158 Ų15865.3 Ų65.374%0.73836%0.36SS*.THydrogen-bonded Turntrans62.78.5-177.9-52.2-175.2121.800115.7V62V62-E64 PolarHBondContact O-N 3.47Å
65K78.7Confident84.7Confident141 Ų14162.2 Ų62.261%0.61334%0.343SS*.EExtended strand (participates in β ladder)trans-109.7140178.4-62.4174.2-168.2167.50111.3L61 V62 N63 L67L61-K65 CarbonylContact C-O 3.55Å; L61-K65 WeakPolarHBondContact CA-O 3.34Å; V62-K65 PolarHBondContact N-O 3.08Å; V62-K65 PolarHBondContact O-N 2.82Å; N63-K65 PolarHBondContact O-N 2.79Å; N63-K65 VanDerWaalsContact O-N 3.08Å; K65-L67 PolarHBondContact O-N 2.88Å
66S69.2Low84.6Confident60 Ų6060.8 Ų60.842%0.4233%0.332SS..EExtended strand (participates in β ladder)trans-69.2123.1168.6-65.10000109.5L61 V68L61-S66 WeakPolarHBondContact CD2-OG 3.34Å; S66-V68 PolarHBondContact O-N 2.95Å
67L68.5Low84.5Confident42 Ų4257.2 Ų57.222%0.2232%0.315CS..  trans-68.1130.8168.8-76175.3000110.1M39 V62 K65 S69 L77M39-L67 HydrophobicContact CE-CD1 3.97Å; M39-L67 HydrophobicContact CG-CD1 3.63Å; M39-L67 HydrophobicContact SD-CD1 3.95Å; V62-L67 HydrophobicContact CB-CD1 4.47Å; V62-L67 HydrophobicContact CB-CG 4.34Å; V62-L67 HydrophobicContact CG2-CD1 3.61Å; V62-L67 HydrophobicContact CG2-CG 3.92Å; K65-L67 PolarHBondContact O-N 2.88Å; L67-S69 VanDerWaalsContact C-N 3.32Å; L67-L77 HydrophobicContact CD1-CD1 3.66Å; L67-L77 HydrophobicContact CD1-CD2 3.93Å; L67-L77 HydrophobicContact CD1-CG 4.45Å; L67-L77 HydrophobicContact CD2-CD1 3.91Å; L67-L77 HydrophobicContact CG-CD1 4.36Å
68V59.9Low84.5Confident146 Ų14656.4 Ų56.489%0.88530%0.302SS*.SBendtrans-75.4-24.8177.9-178.40000111.5S66S66-V68 PolarHBondContact O-N 2.95Å
69S73.5Confident84.4Confident47 Ų4762.2 Ų62.233%0.32933%0.329SS..  trans-118114.6-175.7-177.50000112.5L67 T71L67-S69 VanDerWaalsContact C-N 3.32Å; S69-T71 PolarHBondContact O-N 2.78Å; S69-T71 PolarHBondContact OG-N 3.13Å; S69-T71 PolarHBondContact OG-OG1 3.05Å; S69-T71 VanDerWaalsContact OG-OG1 3.07Å
70H75.3Confident84.3Confident103 Ų10364.4 Ų64.448%0.47734%0.342SS..THydrogen-bonded Turntrans-76.1-5.9176.4-59.7-72000113.7T40T40-H70 PolarHBondContact N-O 2.82Å; T40-H70 VanDerWaalsContact N-O 3.12Å; T40-H70 WeakPolarHBondContact OG1-CB 3.28Å; T40-H70 PolarHBondContact OG1-O 2.89Å
71T86.1Confident84.4Confident112 Ų11266.5 Ų66.569%0.68735%0.351SS*.THydrogen-bonded Turntrans-98.1-3.5-17762.30000114.1S69 S73S69-T71 PolarHBondContact O-N 2.78Å; S69-T71 PolarHBondContact OG-N 3.13Å; S69-T71 PolarHBondContact OG-OG1 3.05Å; S69-T71 VanDerWaalsContact OG-OG1 3.07Å; T71-S73 PolarHBondContact O-N 3.4Å
72V90.2Very high84.5Confident24 Ų2470.2 Ų70.215%0.14537%0.367CS..  trans-63.8133.2177178.90000109.5T38 M39 E76 L77 M80T38-V72 WeakPolarHBondContact CA-O 3.4Å; M39-V72 PolarHBondContact N-O 3.19Å; M39-V72 VanDerWaalsContact N-O 3.08Å; V72-E76 HydrophobicContact CG1-CB 3.8Å; V72-L77 HydrophobicContact CG1-CB 3.93Å; V72-M80 HydrophobicContact CG1-CE 3.85Å
73S91.9Very high84.6Confident23 Ų2373.6 Ų73.616%0.16139%0.385CS..BIsolated β-bridgetrans-75.7157.3175.763.60000111.7T71 A75 E76 L77T71-S73 PolarHBondContact O-N 3.4Å; S73-A75 PolarHBondContact O-N 3.47Å; S73-E76 PolarHBondContact N-OE2 2.76Å; S73-E76 PolarHBondContact O-N 2.88Å; S73-E76 WeakPolarHBondContact OG-CB 3.28Å; S73-E76 VanDerWaalsContact OG-CD 3.23Å; S73-E76 WeakPolarHBondContact OG-CG 3.36Å; S73-E76 PolarHBondContact OG-N 3.37Å; S73-E76 PolarHBondContact OG-OE2 2.82Å; S73-L77 WeakPolarHBondContact O-CB 3.46Å; S73-L77 PolarHBondContact O-N 2.71Å
74M92.7Very high85.2Confident1 Ų177 Ų771%0.00541%0.413CS..Hα-helixtrans-60.2-36.8176-174.253.660.200111.3F10 V12 V33 D35 V37 L42 L77 Y78 L88F10-M74 HydrophobicContact CB-CG 4Å; F10-M74 HydrophobicContact CD2-CB 4.39Å; F10-M74 HydrophobicContact CD2-CG 3.79Å; F10-M74 HydrophobicContact CG-CG 4.22Å; V12-M74 HydrophobicContact CG2-CE 4.22Å; V12-M74 HydrophobicContact CG2-SD 3.8Å; V33-M74 HydrophobicContact CB-CE 4.31Å; V33-M74 HydrophobicContact CB-CG 4.05Å; V33-M74 HydrophobicContact CG1-CB 4.26Å; V33-M74 HydrophobicContact CG1-CE 3.88Å; V33-M74 HydrophobicContact CG1-CG 3.89Å; D35-M74 PolarHBondContact O-N 2.87Å; V37-M74 WeakPolarHBondContact O-CB 3.45Å; V37-M74 PolarHBondContact O-N 3.41Å; L42-M74 HydrophobicContact CD2-CE 3.57Å; M74-L77 PolarHBondContact O-N 3.11Å; M74-Y78 WeakPolarHBondContact O-CB 3.43Å; M74-Y78 PolarHBondContact O-N 2.94Å; M74-L88 HydrophobicContact CE-CD2 4.37Å; M74-L88 HydrophobicContact SD-CD2 3.6Å; M74-L88 VanDerWaalsContact SD-CD2 3.6Å
75A93Very high86.2Confident35 Ų3573.2 Ų73.229%0.28940%0.398SS..Hα-helixtrans-59.7-49.8174.800000113F10 D35 S73 E79F10-A75 VanDerWaalsContact CE2-CA 3.45Å; F10-A75 HydrophobicContact CE2-CB 3.76Å; F10-A75 HydrophobicContact CZ-CB 4.02Å; D35-A75 HydrophobicContact CB-CB 4.15Å; D35-A75 PolarHBondContact O-N 3.32Å; S73-A75 PolarHBondContact O-N 3.47Å; A75-E79 PolarHBondContact O-N 3.01Å
76E92.4Very high86.9Confident109 Ų10967.5 Ų67.551%0.50938%0.379SS..Hα-helixtrans-64.4-45.8177.9-71.1163.8148.200111.1V72 S73 Y78 E79 M80V72-E76 HydrophobicContact CG1-CB 3.8Å; S73-E76 PolarHBondContact N-OE2 2.76Å; S73-E76 PolarHBondContact O-N 2.88Å; S73-E76 WeakPolarHBondContact OG-CB 3.28Å; S73-E76 VanDerWaalsContact OG-CD 3.23Å; S73-E76 WeakPolarHBondContact OG-CG 3.36Å; S73-E76 PolarHBondContact OG-N 3.37Å; S73-E76 PolarHBondContact OG-OE2 2.82Å; E76-Y78 PolarHBondContact O-N 3.09Å; E76-E79 PolarHBondContact O-N 3.06Å; E76-M80 HydrophobicContact CB-CE 4.41Å; E76-M80 WeakPolarHBondContact O-CE 3.31Å; E76-M80 WeakPolarHBondContact O-CG 3.45Å; E76-M80 PolarHBondContact O-N 3.2Å
77L92.5Very high88.1Confident0 Ų066.5 Ų66.50%037%0.367CS..Hα-helixtrans-62-45.7-179.4-178.761.1000112M39 V62 L67 V72 S73 M74 E79 M80 E81 L88M39-L77 HydrophobicContact CG-CD2 3.98Å; M39-L77 HydrophobicContact SD-CD2 3.3Å; M39-L77 WeakPolarHBondContact SD-CD2 3.27Å; V62-L77 HydrophobicContact CG1-CD1 4.17Å; V62-L77 HydrophobicContact CG2-CD1 4.33Å; V62-L77 HydrophobicContact CG2-CD2 4.05Å; L67-L77 HydrophobicContact CD1-CD1 3.66Å; L67-L77 HydrophobicContact CD1-CD2 3.93Å; L67-L77 HydrophobicContact CD1-CG 4.45Å; L67-L77 HydrophobicContact CD2-CD1 3.91Å; L67-L77 HydrophobicContact CG-CD1 4.36Å; V72-L77 HydrophobicContact CG1-CB 3.93Å; S73-L77 WeakPolarHBondContact O-CB 3.46Å; S73-L77 PolarHBondContact O-N 2.71Å; M74-L77 PolarHBondContact O-N 3.11Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 3.26Å; L77-M80 PolarHBondContact O-N 2.86Å; L77-E81 HydrophobicContact CD1-CB 4.2Å; L77-E81 HydrophobicContact CD1-CG 3.83Å; L77-E81 WeakPolarHBondContact O-CB 2.97Å; L77-E81 PolarHBondContact O-N 3.07Å; L77-L88 HydrophobicContact CD2-CD2 3.73Å; L77-L88 HydrophobicContact CG-CD1 4.43Å; L77-L88 HydrophobicContact CG-CD2 3.83Å
78Y93.1Very high89.3Confident30 Ų3064.5 Ų64.512%0.11836%0.357CS..Hα-helixtrans-62-40.4180-171.3-85.7000111.3F10 M74 E76 M80 K82 G86 L88F10-Y78 HydrophobicContact CB-CD2 3.65Å; F10-Y78 HydrophobicContact CB-CE2 3.97Å; F10-Y78 HydrophobicContact CB-CG 4.16Å; F10-Y78 AromaticContact CD1-CD1 3.38Å; F10-Y78 HydrophobicContact CD1-CD1 3.38Å; F10-Y78 AromaticContact CD1-CD2 3.6Å; F10-Y78 HydrophobicContact CD1-CD2 3.6Å; F10-Y78 AromaticContact CD1-CE1 3.7Å; F10-Y78 HydrophobicContact CD1-CE1 3.7Å; F10-Y78 AromaticContact CD1-CE2 3.89Å; F10-Y78 HydrophobicContact CD1-CE2 3.89Å; F10-Y78 AromaticContact CD1-CG 3.31Å; F10-Y78 HydrophobicContact CD1-CG 3.31Å; F10-Y78 AromaticContact CD1-CZ 3.92Å; F10-Y78 AromaticContact CE1-CD1 3.58Å; F10-Y78 HydrophobicContact CE1-CD1 3.58Å; F10-Y78 HydrophobicContact CE1-CE1 4.05Å; F10-Y78 AromaticContact CE1-CG 3.85Å; F10-Y78 HydrophobicContact CE1-CG 3.85Å; F10-Y78 HydrophobicContact CG-CD1 4.37Å; F10-Y78 AromaticContact CG-CD2 3.89Å; F10-Y78 HydrophobicContact CG-CD2 3.89Å; F10-Y78 HydrophobicContact CG-CE2 4.37Å; F10-Y78 AromaticContact CG-CG 3.87Å; F10-Y78 HydrophobicContact CG-CG 3.87Å; M74-Y78 WeakPolarHBondContact O-CB 3.43Å; M74-Y78 PolarHBondContact O-N 2.94Å; E76-Y78 PolarHBondContact O-N 3.09Å; Y78-M80 VanDerWaalsContact C-N 3.3Å; Y78-M80 PolarHBondContact O-N 2.86Å; Y78-K82 HydrophobicContact CD1-CB 4.14Å; Y78-K82 HydrophobicContact CD1-CD 3.76Å; Y78-K82 HydrophobicContact CD2-CB 4.44Å; Y78-K82 HydrophobicContact CE1-CB 4.04Å; Y78-K82 HydrophobicContact CE1-CD 3.49Å; Y78-K82 VanDerWaalsContact CE1-CD 3.49Å; Y78-K82 HydrophobicContact CE1-CG 4.37Å; Y78-K82 HydrophobicContact CE2-CB 4.36Å; Y78-K82 HydrophobicContact CG-CB 4.35Å; Y78-K82 WeakPolarHBondContact O-CB 3.47Å; Y78-K82 WeakPolarHBondContact O-CD 3.44Å; Y78-K82 VanDerWaalsContact O-CG 3.22Å; Y78-K82 WeakPolarHBondContact O-CG 3.38Å; Y78-K82 PolarHBondContact O-N 3.3Å; Y78-G86 PolarHBondContact OH-O 3.32Å; Y78-L88 HydrophobicContact CD2-CB 3.85Å; Y78-L88 HydrophobicContact CE2-CB 4.27Å
79E92.5Very high90.9Very high132 Ų13261.5 Ų61.562%0.61733%0.33SS*.Hα-helixtrans-67.1-33177.8-169.256-159.600112.8A75 E76 L77 K82A75-E79 PolarHBondContact O-N 3.01Å; E76-E79 PolarHBondContact O-N 3.06Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 3.26Å; E79-K82 IonicContact OE1-NZ 3.56Å; E79-K82 IonicContact OE2-NZ 2.74Å; E79-K82 PolarHBondContact OE2-NZ 2.78Å
80M91.4Very high91.9Very high117 Ų11759.4 Ų59.458%0.57632%0.315SS*.Hα-helixtrans-79.6-37.1179.5-67.8-174.9-63.400113.8V72 E76 L77 Y78V72-M80 HydrophobicContact CG1-CE 3.85Å; E76-M80 HydrophobicContact CB-CE 4.41Å; E76-M80 WeakPolarHBondContact O-CE 3.31Å; E76-M80 WeakPolarHBondContact O-CG 3.45Å; E76-M80 PolarHBondContact O-N 3.2Å; L77-M80 PolarHBondContact O-N 2.86Å; Y78-M80 VanDerWaalsContact C-N 3.3Å; Y78-M80 PolarHBondContact O-N 2.86Å
81E93.1Very high92.8Very high55 Ų5556 Ų5626%0.25730%0.301SS..Hα-helixtrans-126.41.4-162-63.6-68.1164.500114.3V62 N63 L77 L88V62-E81 HydrophobicContact CG1-CB 3.72Å; V62-E81 HydrophobicContact CG1-CG 4.02Å; N63-E81 PolarHBondContact ND2-O 3.21Å; N63-E81 PolarHBondContact ND2-OE2 3.34Å; L77-E81 HydrophobicContact CD1-CB 4.2Å; L77-E81 HydrophobicContact CD1-CG 3.83Å; L77-E81 WeakPolarHBondContact O-CB 2.97Å; L77-E81 PolarHBondContact O-N 3.07Å; E81-L88 HydrophobicContact CB-CD1 3.64Å
82K93.1Very high93.2Very high85 Ų8550.7 Ų50.737%0.3727%0.269SS..  trans-58.2142.3175.167.2-166.7178-157.10111.3Y78 E79Y78-K82 HydrophobicContact CD1-CB 4.14Å; Y78-K82 HydrophobicContact CD1-CD 3.76Å; Y78-K82 HydrophobicContact CD2-CB 4.44Å; Y78-K82 HydrophobicContact CE1-CB 4.04Å; Y78-K82 HydrophobicContact CE1-CD 3.49Å; Y78-K82 VanDerWaalsContact CE1-CD 3.49Å; Y78-K82 HydrophobicContact CE1-CG 4.37Å; Y78-K82 HydrophobicContact CE2-CB 4.36Å; Y78-K82 HydrophobicContact CG-CB 4.35Å; Y78-K82 WeakPolarHBondContact O-CB 3.47Å; Y78-K82 WeakPolarHBondContact O-CD 3.44Å; Y78-K82 VanDerWaalsContact O-CG 3.22Å; Y78-K82 WeakPolarHBondContact O-CG 3.38Å; Y78-K82 PolarHBondContact O-N 3.3Å; E79-K82 IonicContact OE1-NZ 3.56Å; E79-K82 IonicContact OE2-NZ 2.74Å; E79-K82 PolarHBondContact OE2-NZ 2.78Å
83D94.4Very high93.4Very high72 Ų7249.9 Ų49.939%0.38526%0.264SS..  trans-75.5165.6169.9-157.5-74.2000110.8D85 G86 F87 Y89D83-D85 PolarHBondContact O-N 3.17Å; D83-G86 PolarHBondContact O-N 3Å; D83-G86 VanDerWaalsContact O-N 3.08Å; D83-F87 PolarHBondContact N-O 2.91Å; D83-Y89 HydrophobicContact CB-CD2 3.89Å; D83-Y89 HydrophobicContact CB-CE2 3.83Å
84S94.7Very high93.5Very high124 Ų12449.9 Ų49.987%0.86726%0.264SS*.THydrogen-bonded Turntrans-56.8-25.1176.462.80000114.4G86S84-G86 VanDerWaalsContact C-N 3.29Å
85D94.2Very high93.3Very high79 Ų7954.3 Ų54.342%0.42228%0.284SS..THydrogen-bonded Turntrans-82.8-4.9178.776.1-11.8000113.8D83 F87 Y89D83-D85 PolarHBondContact O-N 3.17Å; D85-F87 PolarHBondContact OD1-N 3.47Å; D85-F87 WeakPolarHBondContact OD2-CD2 3.37Å; D85-Y89 PolarHBondContact OD2-OH 3.42Å
86G92.9Very high92.7Very high21 Ų2156.7 Ų56.722%0.21630%0.297CS..SBendtrans83.423.7-179.500000114.2Y78 D83 S84Y78-G86 PolarHBondContact OH-O 3.32Å; D83-G86 PolarHBondContact O-N 3Å; D83-G86 VanDerWaalsContact O-N 3.08Å; S84-G86 VanDerWaalsContact C-N 3.29Å
87F93.9Very high91.4Very high39 Ų3952.6 Ų52.617%0.17128%0.284CS..  trans-114.6149.8167.8-68.1-94.1000111.3Q11 V13 D83 D85 Y89Q11-F87 HydrophobicContact CB-CD1 3.58Å; Q11-F87 HydrophobicContact CB-CE1 3.67Å; Q11-F87 HydrophobicContact CB-CG 4.37Å; Q11-F87 HydrophobicContact CG-CE1 4.2Å; Q11-F87 WeakPolarHBondContact O-CA 3.39Å; V13-F87 HydrophobicContact CG2-CB 4.15Å; V13-F87 HydrophobicContact CG2-CD1 3.76Å; V13-F87 HydrophobicContact CG2-CG 4.16Å; D83-F87 PolarHBondContact N-O 2.91Å; D85-F87 PolarHBondContact OD1-N 3.47Å; D85-F87 WeakPolarHBondContact OD2-CD2 3.37Å; F87-Y89 HydrophobicContact CB-CD2 4.3Å; F87-Y89 HydrophobicContact CB-CE2 3.74Å
88L93.8Very high89.7Confident0 Ų061.3 Ų61.30%032%0.322CS..EExtended strand (participates in β ladder)trans-95.6125.1164.9-179.468.8000109.3Q11 V12 V13 V62 M74 L77 Y78 E81 I90Q11-L88 PolarHBondContact O-N 2.74Å; V12-L88 CarbonylContact C-O 3.59Å; V12-L88 WeakPolarHBondContact CA-O 3.03Å; V12-L88 HydrophobicContact CG1-CB 4.44Å; V12-L88 HydrophobicContact CG1-CD2 4.47Å; V12-L88 HydrophobicContact CG2-CB 4.34Å; V12-L88 HydrophobicContact CG2-CD2 4.39Å; V13-L88 PolarHBondContact N-O 3.05Å; V62-L88 HydrophobicContact CG1-CD1 3.7Å; V62-L88 HydrophobicContact CG1-CG 4.43Å; M74-L88 HydrophobicContact CE-CD2 4.37Å; M74-L88 HydrophobicContact SD-CD2 3.6Å; M74-L88 VanDerWaalsContact SD-CD2 3.6Å; L77-L88 HydrophobicContact CD2-CD2 3.73Å; L77-L88 HydrophobicContact CG-CD1 4.43Å; L77-L88 HydrophobicContact CG-CD2 3.83Å; Y78-L88 HydrophobicContact CD2-CB 3.85Å; Y78-L88 HydrophobicContact CE2-CB 4.27Å; E81-L88 HydrophobicContact CB-CD1 3.64Å; L88-I90 HydrophobicContact CD2-CD1 4.09Å; L88-I90 HydrophobicContact CD2-CG1 4.39Å; L88-I90 HydrophobicContact CG-CD1 4.48Å; L88-I90 HydrophobicContact CG-CG1 4.25Å
89Y94.5Very high87.4Confident83 Ų8366.8 Ų66.833%0.32539%0.388SS..EExtended strand (participates in β ladder)trans-99.8123.1-178.6-72.4-91.9000111.6V13 N63 D83 D85 F87V13-Y89 HydrophobicContact CB-CD1 3.86Å; V13-Y89 HydrophobicContact CB-CE1 3.99Å; V13-Y89 HydrophobicContact CG1-CD1 4.08Å; V13-Y89 HydrophobicContact CG1-CE1 4.12Å; V13-Y89 HydrophobicContact CG2-CD1 4.36Å; V13-Y89 HydrophobicContact CG2-CE1 4.03Å; N63-Y89 PolarHBondContact N-O 2.95Å; D83-Y89 HydrophobicContact CB-CD2 3.89Å; D83-Y89 HydrophobicContact CB-CE2 3.83Å; D85-Y89 PolarHBondContact OD2-OH 3.42Å; F87-Y89 HydrophobicContact CB-CD2 4.3Å; F87-Y89 HydrophobicContact CB-CE2 3.74Å
90I94.4Very high87.2Confident3 Ų363.6 Ų63.62%0.01538%0.377CS..EExtended strand (participates in β ladder)trans-128.2135.9179.7-52.7-173000108.7V12 V13 I14 E15 L42 L60 L61 V62 L88V12-I90 HydrophobicContact CG1-CD1 3.66Å; V12-I90 HydrophobicContact CG1-CG1 3.94Å; V13-I90 PolarHBondContact O-N 2.98Å; I14-I90 VanDerWaalsContact CA-O 3.27Å; I14-I90 WeakPolarHBondContact CA-O 3.31Å; I14-I90 HydrophobicContact CG1-CB 4.28Å; E15-I90 PolarHBondContact N-O 3.26Å; L42-I90 HydrophobicContact CD2-CD1 3.68Å; L60-I90 HydrophobicContact CB-CG2 3.98Å; L60-I90 HydrophobicContact CD2-CG2 4.34Å; L61-I90 CarbonylContact O-C 3.55Å; L61-I90 VanDerWaalsContact O-CA 3.28Å; L61-I90 WeakPolarHBondContact O-CA 3.36Å; L61-I90 WeakPolarHBondContact O-CG2 3.24Å; V62-I90 HydrophobicContact CG2-CD1 4.33Å; V62-I90 HydrophobicContact CG2-CG1 4.15Å; L88-I90 HydrophobicContact CD2-CD1 4.09Å; L88-I90 HydrophobicContact CD2-CG1 4.39Å; L88-I90 HydrophobicContact CG-CD1 4.48Å; L88-I90 HydrophobicContact CG-CG1 4.25Å
91V94.3Very high86.9Confident31 Ų3160.7 Ų60.719%0.18837%0.367CS..EExtended strand (participates in β ladder)trans-116.1143.1171.1-64.50000110.8E15 F17 L60 L61E15-V91 CarbonylContact O-C 3.52Å; E15-V91 WeakPolarHBondContact O-CA 3.35Å; F17-V91 HydrophobicContact CB-CB 4.36Å; F17-V91 HydrophobicContact CD2-CB 4.35Å; F17-V91 HydrophobicContact CD2-CG2 3.82Å; L60-V91 WeakPolarHBondContact CA-O 3.48Å; L61-V91 HydrophobicContact CB-CG2 3.7Å; L61-V91 HydrophobicContact CD1-CG2 4.12Å; L61-V91 HydrophobicContact CG-CG2 4.25Å; L61-V91 PolarHBondContact N-O 2.83Å; L61-V91 PolarHBondContact O-N 2.78Å
92Y95.1Very high86.6Confident2 Ų261.1 Ų61.11%0.00837%0.373CS..EExtended strand (participates in β ladder)trans-109.8143.1174.666.1-90.5000112.7I14 E15 R16 F17 L23 P24 L25 L26 L50 L58 F59I14-Y92 HydrophobicContact CG2-CD1 3.92Å; E15-Y92 VanDerWaalsContact C-CD1 3.49Å; E15-Y92 WeakPolarHBondContact O-CD1 3.48Å; E15-Y92 VanDerWaalsContact O-CE1 3.31Å; E15-Y92 WeakPolarHBondContact O-CE1 3.48Å; E15-Y92 PolarHBondContact O-N 3.2Å; R16-Y92 HydrophobicContact CB-CE1 3.97Å; R16-Y92 HydrophobicContact CB-CE2 3.87Å; R16-Y92 VanDerWaalsContact CB-CZ 3.48Å; R16-Y92 WeakPolarHBondContact CB-OH 3.5Å; R16-Y92 HydrophobicContact CG-CD2 4.2Å; R16-Y92 HydrophobicContact CG-CE2 3.54Å; R16-Y92 VanDerWaalsContact N-CE1 3.33Å; F17-Y92 WeakPolarHBondContact CB-O 3.12Å; F17-Y92 PolarHBondContact N-O 3.18Å; L23-Y92 HydrophobicContact CB-CD2 4.24Å; L23-Y92 HydrophobicContact CB-CE2 4.04Å; L23-Y92 HydrophobicContact CD1-CD2 3.81Å; L23-Y92 HydrophobicContact CD1-CE2 4.45Å; P24-Y92 WeakPolarHBondContact O-CE2 3.3Å; P24-Y92 PolarHBondContact O-OH 3.27Å; L25-Y92 WeakPolarHBondContact CA-OH 3.39Å; L26-Y92 HydrophobicContact CD1-CD1 4.35Å; L26-Y92 HydrophobicContact CD1-CE1 3.79Å; L26-Y92 HydrophobicContact CG-CE1 4.02Å; L26-Y92 PolarHBondContact N-OH 3.07Å; L50-Y92 HydrophobicContact CD1-CD2 3.93Å; L50-Y92 HydrophobicContact CD1-CE2 3.96Å; L50-Y92 HydrophobicContact CD1-CG 4.49Å; L50-Y92 HydrophobicContact CD2-CE2 4.03Å; L58-Y92 HydrophobicContact CD1-CD2 4.4Å; F59-Y92 VanDerWaalsContact O-CA 3.27Å; F59-Y92 WeakPolarHBondContact O-CA 3.42Å
93T94.3Very high86.2Confident6 Ų659.6 Ų59.64%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-150.8159.6179.31780000111.6E20 F59 L61 Q95E20-T93 WeakPolarHBondContact OE2-CA 3.44Å; E20-T93 PolarHBondContact OE2-OG1 3.26Å; F59-T93 HydrophobicContact CB-CG2 4.25Å; F59-T93 PolarHBondContact N-O 3.11Å; F59-T93 PolarHBondContact O-N 2.94Å; F59-T93 VanDerWaalsContact O-N 3.08Å; L61-T93 HydrophobicContact CD1-CG2 4.06Å; L61-T93 HydrophobicContact CG-CG2 4.37Å; T93-Q95 WeakPolarHBondContact CG2-O 3.36Å; T93-Q95 PolarHBondContact OG1-N 3.1Å; T93-Q95 VanDerWaalsContact OG1-N 3.09Å
94S94.1Very high85.7Confident24 Ų2458.9 Ų58.917%0.16837%0.372CS..SBendtrans-84.6-11.6171.160.90000112.9E20 A57E20-S94 VanDerWaalsContact CD-OG 3.28Å; E20-S94 PolarHBondContact OE1-OG 3.09Å; E20-S94 VanDerWaalsContact OE1-OG 3.06Å; E20-S94 WeakPolarHBondContact OE2-CB 3.45Å; E20-S94 PolarHBondContact OE2-N 3.47Å; E20-S94 PolarHBondContact OE2-OG 3.14Å; A57-S94 WeakPolarHBondContact CB-O 3.4Å
95Q87.9Confident85.1Confident93 Ų9354.5 Ų54.544%0.43534%0.339SS..SBendtrans-103.7140.9-179.9-59.9-174800110.3F59 T93 G97F59-Q95 VanDerWaalsContact CD2-C 3.46Å; F59-Q95 WeakPolarHBondContact CD2-O 3.44Å; T93-Q95 WeakPolarHBondContact CG2-O 3.36Å; T93-Q95 PolarHBondContact OG1-N 3.1Å; T93-Q95 VanDerWaalsContact OG1-N 3.09Å; Q95-G97 PolarHBondContact O-N 3.43Å
96P79.4Confident84.4Confident86 Ų8652.8 Ų52.856%0.55833%0.333SS*.PPolyproline II helixtrans-60.9139.3171.427-32.9000109.3F59 F98F59-P96 HydrophobicContact CE1-CB 4.28Å; F59-P96 HydrophobicContact CE2-CB 4.38Å; F59-P96 HydrophobicContact CZ-CB 4.12Å; P96-F98 PolarHBondContact O-N 3.13Å
97G65.9Low83.8Confident23 Ų2355.2 Ų55.224%0.23734%0.342CS..PPolyproline II helixtrans-56.7131.5177.700000110.7Q95 G99Q95-G97 PolarHBondContact O-N 3.43Å; G97-G99 PolarHBondContact O-N 3.47Å
98F56.4Low83Confident182 Ų18256.6 Ų56.680%0.79836%0.356SS*.  trans-66.1100.4173.2-65.2-86.4000108.6P96P96-F98 PolarHBondContact O-N 3.13Å
99G45.5Very low82Confident146 Ų14661.7 Ų61.7100%1.50539%0.389SS*.  trans-85.10147.100000108.9G97G97-G99 PolarHBondContact O-N 3.47Å

Retrieved 99 of 99 residues in 552.7 ms (Link to these results)

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