A0A087XUG0_POEFO Loading...

Tubulin polyglutamylase complex subunit 2

AlphaFold DB , UniProt , Accession A0A087XUG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 295 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
1M45.1Very low49.5Very low191 Ų191124.5 Ų124.594%0.94164%0.639SS**  0-61.20-71.7-170.290.100112.3M3 E4M1-M3 VanDerWaalsContact C-N 3.29Å; M1-M3 PolarHBondContact O-N 3.28Å; M1-E4 PolarHBondContact O-N 3.36Å
2I48.2Very low50.2Low146 Ų146120.6 Ų120.675%0.74961%0.614SS**Hα-helixtrans-63-30-177.9-55.1176000114.2T6I2-T6 PolarHBondContact O-OG1 2.84Å
3M35.5Very low51.3Low172 Ų172116.8 Ų116.885%0.84759%0.591SS**Hα-helixtrans-78.9-22.4-177.8-111.7179.3-92.400114.9M1M1-M3 VanDerWaalsContact C-N 3.29Å; M1-M3 PolarHBondContact O-N 3.28Å
4E40.3Very low52.9Low133 Ų133110.2 Ų110.262%0.62157%0.566SS**Hα-helixtrans-79-46175.8-82.9171.4139.200110.4M1 T6 K7 D8M1-E4 PolarHBondContact O-N 3.36Å; E4-T6 PolarHBondContact O-N 3.41Å; E4-T6 VanDerWaalsContact O-N 3.12Å; E4-K7 PolarHBondContact O-N 3.42Å; E4-D8 PolarHBondContact O-N 2.65Å
5D48.3Very low54.5Low113 Ų113105 Ų10560%0.60454%0.541SS*.Hα-helixtrans-55.2-35.6177.4-66.3-22.3000112.8A9D5-A9 WeakPolarHBondContact O-CB 3.42Å; D5-A9 PolarHBondContact O-N 3.3Å; D5-A9 VanDerWaalsContact O-N 3.13Å
6T49.1Very low55.8Low70 Ų7098.6 Ų98.643%0.42951%0.509SS..Hα-helixtrans-74.1-38.5-179.9-42.40000111.2I2 E4 A9 F10I2-T6 PolarHBondContact O-OG1 2.84Å; E4-T6 PolarHBondContact O-N 3.41Å; E4-T6 VanDerWaalsContact O-N 3.12Å; T6-A9 PolarHBondContact O-N 3.41Å; T6-F10 HydrophobicContact CG2-CD2 4.05Å; T6-F10 HydrophobicContact CG2-CE2 3.78Å; T6-F10 WeakPolarHBondContact O-CD2 3.03Å; T6-F10 PolarHBondContact O-N 3.41Å; T6-F10 VanDerWaalsContact O-N 3.13Å
7K48Very low57.4Low149 Ų14994.6 Ų94.665%0.64849%0.488SS*.Hα-helixtrans-69.9-40.1-179.4-168.8179.3176.9-172.50110.9E4 F10 V11E4-K7 PolarHBondContact O-N 3.42Å; K7-F10 PolarHBondContact O-N 2.74Å; K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 2.95Å
8D54.1Low59Low103 Ų10399.5 Ų99.555%0.55150%0.499SS*.Hα-helixtrans-68-37.3176.7-66.4-18.8000111.2E4 F10 V11 F12E4-D8 PolarHBondContact O-N 2.65Å; D8-F10 PolarHBondContact O-N 3.16Å; D8-V11 PolarHBondContact O-N 3.23Å; D8-F12 WeakPolarHBondContact O-CB 3.05Å; D8-F12 PolarHBondContact O-N 2.92Å
9A56.2Low60.4Low55 Ų5595.7 Ų95.746%0.45548%0.48SS..Hα-helixtrans-62.6-37.5172.100000113.4D5 T6 K13D5-A9 WeakPolarHBondContact O-CB 3.42Å; D5-A9 PolarHBondContact O-N 3.3Å; D5-A9 VanDerWaalsContact O-N 3.13Å; T6-A9 PolarHBondContact O-N 3.41Å; A9-K13 WeakPolarHBondContact O-CB 3.41Å; A9-K13 PolarHBondContact O-N 2.96Å
10F58.1Low61.7Low156 Ų15690.9 Ų90.968%0.68446%0.456SS*.Hα-helixtrans-72-38.6175.7-84-69.8000112.7T6 K7 D8 G14T6-F10 HydrophobicContact CG2-CD2 4.05Å; T6-F10 HydrophobicContact CG2-CE2 3.78Å; T6-F10 WeakPolarHBondContact O-CD2 3.03Å; T6-F10 PolarHBondContact O-N 3.41Å; T6-F10 VanDerWaalsContact O-N 3.13Å; K7-F10 PolarHBondContact O-N 2.74Å; D8-F10 PolarHBondContact O-N 3.16Å; F10-G14 PolarHBondContact O-N 3.22Å; F10-G14 VanDerWaalsContact O-N 3.1Å
11V61.3Low62.8Low82 Ų8292.4 Ų92.450%0.49747%0.465SS..Hα-helixtrans-66.7-44174.6173.80000110.5K7 D8 K13 G14 V15K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 2.95Å; D8-V11 PolarHBondContact O-N 3.23Å; V11-K13 PolarHBondContact O-N 3.17Å; V11-G14 WeakPolarHBondContact O-CA 3.46Å; V11-G14 PolarHBondContact O-N 2.81Å; V11-G14 VanDerWaalsContact O-N 3.08Å; V11-V15 PolarHBondContact O-N 3.2Å
12F58Low64.8Low77 Ų7784.2 Ų84.234%0.33843%0.43SS..Hα-helixtrans-53.8-50.9174.5169.4-96.8000111.5D8 G14 V15 A16 F38D8-F12 WeakPolarHBondContact O-CB 3.05Å; D8-F12 PolarHBondContact O-N 2.92Å; F12-G14 VanDerWaalsContact C-N 3.28Å; F12-G14 PolarHBondContact O-N 3.1Å; F12-V15 PolarHBondContact O-N 2.63Å; F12-A16 WeakPolarHBondContact O-CB 3.5Å; F12-A16 PolarHBondContact O-N 3.27Å; F12-F38 HydrophobicContact CD2-CD1 4.42Å; F12-F38 HydrophobicContact CE2-CB 4.32Å; F12-F38 AromaticContact CE2-CD1 3.79Å; F12-F38 HydrophobicContact CE2-CD1 3.79Å; F12-F38 WeakPolarHBondContact CE2-O 2.98Å; F12-F38 HydrophobicContact CZ-CB 3.9Å; F12-F38 HydrophobicContact CZ-CD1 4.14Å; F12-F38 WeakPolarHBondContact CZ-O 3.45Å
13K64.3Low66.8Low72 Ų7278.1 Ų78.131%0.31340%0.398SS..Hα-helixtrans-61.8-38.2177.7-172.6155.2-178141.70111.3A9 V11 E17 E28A9-K13 WeakPolarHBondContact O-CB 3.41Å; A9-K13 PolarHBondContact O-N 2.96Å; V11-K13 PolarHBondContact O-N 3.17Å; K13-E17 WeakPolarHBondContact CE-OE1 3.45Å; K13-E17 HydrophobicContact CG-CG 4.32Å; K13-E17 VanDerWaalsContact CG-OE1 3.24Å; K13-E17 WeakPolarHBondContact CG-OE1 3.07Å; K13-E17 WeakPolarHBondContact O-CB 3.44Å; K13-E17 WeakPolarHBondContact O-CG 3.4Å; K13-E17 PolarHBondContact O-N 2.77Å; K13-E28 IonicContact NZ-OE1 2.71Å; K13-E28 PolarHBondContact NZ-OE1 3.23Å; K13-E28 IonicContact NZ-OE2 3.37Å; K13-E28 PolarHBondContact NZ-OE2 3.32Å
14G73.8Confident69.4Low24 Ų2470.2 Ų70.225%0.24736%0.359CS..Hα-helixtrans-70.9-31.7178.400000115.5F10 V11 F12 R18F10-G14 PolarHBondContact O-N 3.22Å; F10-G14 VanDerWaalsContact O-N 3.1Å; V11-G14 WeakPolarHBondContact O-CA 3.46Å; V11-G14 PolarHBondContact O-N 2.81Å; V11-G14 VanDerWaalsContact O-N 3.08Å; F12-G14 VanDerWaalsContact C-N 3.28Å; F12-G14 PolarHBondContact O-N 3.1Å; G14-R18 VanDerWaalsContact O-CG 3.32Å; G14-R18 WeakPolarHBondContact O-CG 3.44Å; G14-R18 PolarHBondContact O-N 3.18Å; G14-R18 PolarHBondContact O-NE 3.4Å
15V76.7Confident71.7Confident32 Ų3270.3 Ų70.319%0.19435%0.354CS..Hα-helixtrans-74.1-49.7174.1174.60000110.1V11 F12 E17 R18 L19V11-V15 PolarHBondContact O-N 3.2Å; F12-V15 PolarHBondContact O-N 2.63Å; V15-E17 VanDerWaalsContact C-N 3.31Å; V15-E17 PolarHBondContact O-N 3.22Å; V15-R18 PolarHBondContact O-N 3.12Å; V15-R18 VanDerWaalsContact O-N 3.15Å; V15-L19 HydrophobicContact CG1-CD1 3.86Å; V15-L19 HydrophobicContact CG1-CG 4.42Å; V15-L19 PolarHBondContact O-N 3.43Å
16A76.6Confident73.7Confident3 Ų369 Ų693%0.02535%0.347CS..Hα-helixtrans-57.8-44.1177.700000111.5F12 R18 L19 T20 T24 F38F12-A16 WeakPolarHBondContact O-CB 3.5Å; F12-A16 PolarHBondContact O-N 3.27Å; A16-R18 VanDerWaalsContact C-N 3.35Å; A16-R18 PolarHBondContact O-N 3.05Å; A16-L19 PolarHBondContact O-N 3.41Å; A16-T20 VanDerWaalsContact O-CB 3.26Å; A16-T20 WeakPolarHBondContact O-CB 3.23Å; A16-T20 WeakPolarHBondContact O-CG2 3.4Å; A16-T20 PolarHBondContact O-N 2.92Å; A16-T20 PolarHBondContact O-OG1 3.49Å; A16-T24 HydrophobicContact CB-CG2 4.26Å; A16-F38 HydrophobicContact CB-CB 4.23Å; A16-F38 HydrophobicContact CB-CD1 3.51Å; A16-F38 HydrophobicContact CB-CD2 4.34Å; A16-F38 HydrophobicContact CB-CE1 3.92Å; A16-F38 HydrophobicContact CB-CG 3.75Å; A16-F38 HydrophobicContact CB-CZ 4.5Å
17E82.9Confident75.7Confident31 Ų3165.7 Ų65.715%0.14533%0.326CS..Hα-helixtrans-62.1-38.8177.2-79173.5-179.400112.9K13 V15 L21 G22 T24 R25K13-E17 WeakPolarHBondContact CE-OE1 3.45Å; K13-E17 HydrophobicContact CG-CG 4.32Å; K13-E17 VanDerWaalsContact CG-OE1 3.24Å; K13-E17 WeakPolarHBondContact CG-OE1 3.07Å; K13-E17 WeakPolarHBondContact O-CB 3.44Å; K13-E17 WeakPolarHBondContact O-CG 3.4Å; K13-E17 PolarHBondContact O-N 2.77Å; V15-E17 VanDerWaalsContact C-N 3.31Å; V15-E17 PolarHBondContact O-N 3.22Å; E17-L21 CarbonylContact O-C 3.53Å; E17-L21 WeakPolarHBondContact O-CA 3.42Å; E17-L21 PolarHBondContact O-N 2.78Å; E17-G22 PolarHBondContact O-N 2.76Å; E17-T24 WeakPolarHBondContact CG-OG1 3.42Å; E17-R25 VanDerWaalsContact CD-NH2 3.31Å; E17-R25 HydrophobicContact CG-CG 4.34Å; E17-R25 IonicContact OE1-CZ 3.53Å; E17-R25 IonicContact OE1-NE 3.13Å; E17-R25 PolarHBondContact OE1-NE 2.84Å; E17-R25 IonicContact OE1-NH2 2.68Å; E17-R25 PolarHBondContact OE1-NH2 3.21Å; E17-R25 IonicContact OE2-CZ 3.38Å; E17-R25 IonicContact OE2-NE 2.79Å; E17-R25 PolarHBondContact OE2-NE 2.79Å; E17-R25 IonicContact OE2-NH2 3.19Å; E17-R25 PolarHBondContact OE2-NH2 3.5Å
18R85.3Confident77.8Confident182 Ų18263.2 Ų63.269%0.68732%0.317SS*.Hα-helixtrans-71.1-45178.1-75.9-178.7-69.8153.3-2.6111.8G14 V15 A16 T20 L21G14-R18 VanDerWaalsContact O-CG 3.32Å; G14-R18 WeakPolarHBondContact O-CG 3.44Å; G14-R18 PolarHBondContact O-N 3.18Å; G14-R18 PolarHBondContact O-NE 3.4Å; V15-R18 PolarHBondContact O-N 3.12Å; V15-R18 VanDerWaalsContact O-N 3.15Å; A16-R18 VanDerWaalsContact C-N 3.35Å; A16-R18 PolarHBondContact O-N 3.05Å; R18-T20 VanDerWaalsContact C-N 3.32Å; R18-T20 PolarHBondContact O-N 3.46Å; R18-L21 PolarHBondContact O-N 2.87Å
19L85.3Confident79.6Confident27 Ų2765 Ų6514%0.14133%0.326CS..Hα-helixtrans-65.6-37.1178.6-72.7174.2000111.9V15 A16 F38 T70 T71 F74 Y197V15-L19 HydrophobicContact CG1-CD1 3.86Å; V15-L19 HydrophobicContact CG1-CG 4.42Å; V15-L19 PolarHBondContact O-N 3.43Å; A16-L19 PolarHBondContact O-N 3.41Å; L19-F38 HydrophobicContact CD1-CE2 4.48Å; L19-F38 HydrophobicContact CD1-CZ 3.79Å; L19-T70 HydrophobicContact CD2-CG2 4.18Å; L19-T71 HydrophobicContact CD1-CG2 4.24Å; L19-T71 HydrophobicContact CD2-CG2 4.26Å; L19-F74 HydrophobicContact CB-CE2 4.33Å; L19-Y197 WeakPolarHBondContact O-CE1 3.14Å; L19-Y197 PolarHBondContact O-OH 2.88Å
20T86.4Confident81.2Confident0 Ų063.7 Ų63.70%031%0.311CS..THydrogen-bonded Turntrans-93.44.6-177.965.20000113.4A16 R18 G22 I23 T24 F74 L76A16-T20 VanDerWaalsContact O-CB 3.26Å; A16-T20 WeakPolarHBondContact O-CB 3.23Å; A16-T20 WeakPolarHBondContact O-CG2 3.4Å; A16-T20 PolarHBondContact O-N 2.92Å; A16-T20 PolarHBondContact O-OG1 3.49Å; R18-T20 VanDerWaalsContact C-N 3.32Å; R18-T20 PolarHBondContact O-N 3.46Å; T20-G22 PolarHBondContact O-N 3.18Å; T20-I23 VanDerWaalsContact O-CB 3.24Å; T20-I23 WeakPolarHBondContact O-CB 3.14Å; T20-I23 WeakPolarHBondContact O-CG1 3.32Å; T20-I23 PolarHBondContact O-N 2.95Å; T20-I23 VanDerWaalsContact O-N 3.08Å; T20-T24 HydrophobicContact CG2-CG2 4.17Å; T20-F74 HydrophobicContact CG2-CE2 3.83Å; T20-F74 HydrophobicContact CG2-CZ 3.75Å; T20-L76 HydrophobicContact CG2-CD1 3.69Å
21L86.4Confident82.8Confident122 Ų12261.2 Ų61.264%0.63931%0.311SS*.THydrogen-bonded Turntrans53.236.6-176.7-53.7174.6000113E17 R18E17-L21 CarbonylContact O-C 3.53Å; E17-L21 WeakPolarHBondContact O-CA 3.42Å; E17-L21 PolarHBondContact O-N 2.78Å; R18-L21 PolarHBondContact O-N 2.87Å
22G86.5Confident84.2Confident20 Ų2059.1 Ų59.121%0.20631%0.305CS..THydrogen-bonded Turntrans825.817900000115.3E17 T20 T24 R25 I26E17-G22 PolarHBondContact O-N 2.76Å; T20-G22 PolarHBondContact O-N 3.18Å; G22-T24 VanDerWaalsContact C-N 3.25Å; G22-T24 PolarHBondContact O-N 2.99Å; G22-R25 WeakPolarHBondContact O-CB 3.26Å; G22-R25 PolarHBondContact O-N 3.06Å; G22-I26 PolarHBondContact O-N 2.9Å
23I89.1Confident85.9Confident17 Ų1756.4 Ų56.49%0.08730%0.295CS..Hα-helixtrans-65.6-28.3-176.7-70.7-103.5000112.6T20 R25 I26 L27 M92 I201 L204T20-I23 VanDerWaalsContact O-CB 3.24Å; T20-I23 WeakPolarHBondContact O-CB 3.14Å; T20-I23 WeakPolarHBondContact O-CG1 3.32Å; T20-I23 PolarHBondContact O-N 2.95Å; T20-I23 VanDerWaalsContact O-N 3.08Å; I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 PolarHBondContact O-N 3.03Å; I23-I26 HydrophobicContact CD1-CD1 4.02Å; I23-I26 HydrophobicContact CG1-CD1 4.36Å; I23-I26 PolarHBondContact O-N 2.63Å; I23-I26 VanDerWaalsContact O-N 3.07Å; I23-L27 HydrophobicContact CG2-CD1 3.89Å; I23-L27 HydrophobicContact CG2-CG 4.18Å; I23-L27 WeakPolarHBondContact O-CG 3.46Å; I23-L27 PolarHBondContact O-N 3.08Å; I23-M92 HydrophobicContact CG2-CE 4.07Å; I23-I201 HydrophobicContact CB-CG2 4.28Å; I23-I201 HydrophobicContact CD1-CG2 3.69Å; I23-I201 HydrophobicContact CG1-CG2 3.47Å; I23-I201 VanDerWaalsContact CG1-CG2 3.47Å; I23-L204 HydrophobicContact CD1-CD2 3.73Å; I23-L204 HydrophobicContact CG2-CD2 3.57Å
24T90.4Very high87.3Confident6 Ų655.5 Ų55.54%0.03730%0.295CS..Hα-helixtrans-53.2-44.5169.249.30000112.1A16 E17 T20 G22 I26 L27 E28 L36 L76A16-T24 HydrophobicContact CB-CG2 4.26Å; E17-T24 WeakPolarHBondContact CG-OG1 3.42Å; T20-T24 HydrophobicContact CG2-CG2 4.17Å; G22-T24 VanDerWaalsContact C-N 3.25Å; G22-T24 PolarHBondContact O-N 2.99Å; T24-I26 VanDerWaalsContact C-N 3.34Å; T24-I26 PolarHBondContact O-N 2.85Å; T24-L27 PolarHBondContact O-N 2.98Å; T24-E28 WeakPolarHBondContact O-CB 3.42Å; T24-E28 VanDerWaalsContact O-CG 3.27Å; T24-E28 WeakPolarHBondContact O-CG 3.44Å; T24-E28 PolarHBondContact O-N 2.86Å; T24-L36 HydrophobicContact CG2-CD2 4.22Å; T24-L76 HydrophobicContact CG2-CD1 3.68Å
25R89.2Confident88.2Confident135 Ų13557.6 Ų57.651%0.50930%0.301SS..Hα-helixtrans-67.3-35.2176.9-63.6-175177.2-1754.9112.5E17 G22 I23 N29E17-R25 VanDerWaalsContact CD-NH2 3.31Å; E17-R25 HydrophobicContact CG-CG 4.34Å; E17-R25 IonicContact OE1-CZ 3.53Å; E17-R25 IonicContact OE1-NE 3.13Å; E17-R25 PolarHBondContact OE1-NE 2.84Å; E17-R25 IonicContact OE1-NH2 2.68Å; E17-R25 PolarHBondContact OE1-NH2 3.21Å; E17-R25 IonicContact OE2-CZ 3.38Å; E17-R25 IonicContact OE2-NE 2.79Å; E17-R25 PolarHBondContact OE2-NE 2.79Å; E17-R25 IonicContact OE2-NH2 3.19Å; E17-R25 PolarHBondContact OE2-NH2 3.5Å; G22-R25 WeakPolarHBondContact O-CB 3.26Å; G22-R25 PolarHBondContact O-N 3.06Å; I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 PolarHBondContact O-N 3.03Å; R25-N29 PolarHBondContact O-N 3.3Å; R25-N29 PolarHBondContact O-ND2 3.39Å
26I89.8Confident89.1Confident87 Ų8758.4 Ų58.445%0.44630%0.304SS..Hα-helixtrans-67.2-47.8178.7-53.7179.5000108.7G22 I23 T24 E28 N29 M30G22-I26 PolarHBondContact O-N 2.9Å; I23-I26 HydrophobicContact CD1-CD1 4.02Å; I23-I26 HydrophobicContact CG1-CD1 4.36Å; I23-I26 PolarHBondContact O-N 2.63Å; I23-I26 VanDerWaalsContact O-N 3.07Å; T24-I26 VanDerWaalsContact C-N 3.34Å; T24-I26 PolarHBondContact O-N 2.85Å; I26-E28 PolarHBondContact O-N 3.37Å; I26-N29 PolarHBondContact O-N 3.14Å; I26-N29 VanDerWaalsContact O-N 3.11Å; I26-M30 HydrophobicContact CB-CE 4.17Å; I26-M30 HydrophobicContact CG2-CE 3.44Å; I26-M30 VanDerWaalsContact CG2-CE 3.44Å; I26-M30 WeakPolarHBondContact O-CG 3.4Å; I26-M30 PolarHBondContact O-N 2.74Å
27L91.9Very high89.9Confident0 Ų065.4 Ų65.40%033%0.33CS..Hα-helixtrans-61-43.2177.8-71.7168.3000112.3I23 T24 N29 M30 V33 L36 L76 W78 L204I23-L27 HydrophobicContact CG2-CD1 3.89Å; I23-L27 HydrophobicContact CG2-CG 4.18Å; I23-L27 WeakPolarHBondContact O-CG 3.46Å; I23-L27 PolarHBondContact O-N 3.08Å; T24-L27 PolarHBondContact O-N 2.98Å; L27-N29 PolarHBondContact O-N 2.67Å; L27-M30 HydrophobicContact CD2-CE 3.66Å; L27-M30 HydrophobicContact CD2-SD 3.92Å; L27-M30 HydrophobicContact CG-CE 4.1Å; L27-M30 PolarHBondContact O-N 3.24Å; L27-V33 HydrophobicContact CB-CG1 4.42Å; L27-V33 WeakPolarHBondContact O-CB 3.22Å; L27-V33 WeakPolarHBondContact O-CG1 3.44Å; L27-L36 HydrophobicContact CB-CD1 3.43Å; L27-L36 VanDerWaalsContact CB-CD1 3.43Å; L27-L36 HydrophobicContact CD1-CD1 3.78Å; L27-L36 HydrophobicContact CG-CD1 4.25Å; L27-L76 HydrophobicContact CD1-CD2 3.91Å; L27-W78 HydrophobicContact CD1-CG 4.17Å; L27-W78 HydrophobicContact CD2-CD2 3.82Å; L27-W78 HydrophobicContact CD2-CE3 4.34Å; L27-W78 HydrophobicContact CD2-CG 4.11Å; L27-W78 HydrophobicContact CD2-CH2 4.49Å; L27-W78 HydrophobicContact CD2-CZ2 4.01Å; L27-L204 HydrophobicContact CD2-CB 4.48Å; L27-L204 HydrophobicContact CD2-CD1 4.25Å; L27-L204 HydrophobicContact CD2-CD2 4.34Å
28E91.3Very high90.3Very high96 Ų9664.6 Ų64.645%0.44933%0.326SS..Hα-helixtrans-57.4-28.5175-77173.2173.900113K13 T24 I26K13-E28 IonicContact NZ-OE1 2.71Å; K13-E28 PolarHBondContact NZ-OE1 3.23Å; K13-E28 IonicContact NZ-OE2 3.37Å; K13-E28 PolarHBondContact NZ-OE2 3.32Å; T24-E28 WeakPolarHBondContact O-CB 3.42Å; T24-E28 VanDerWaalsContact O-CG 3.27Å; T24-E28 WeakPolarHBondContact O-CG 3.44Å; T24-E28 PolarHBondContact O-N 2.86Å; I26-E28 PolarHBondContact O-N 3.37Å
29N91.5Very high90.6Very high140 Ų14057.7 Ų57.775%0.74931%0.308SS*.THydrogen-bonded Turntrans-94.2-5180-70.8-51.6000113.5R25 I26 L27R25-N29 PolarHBondContact O-N 3.3Å; R25-N29 PolarHBondContact O-ND2 3.39Å; I26-N29 PolarHBondContact O-N 3.14Å; I26-N29 VanDerWaalsContact O-N 3.11Å; L27-N29 PolarHBondContact O-N 2.67Å
30M91.5Very high90.5Very high29 Ų2961.5 Ų61.514%0.14333%0.325CS..SBendtrans-77.8142.1179.8-77.2-179.9-140.200111.4I26 L27 G32 V33 L204 Y229I26-M30 HydrophobicContact CB-CE 4.17Å; I26-M30 HydrophobicContact CG2-CE 3.44Å; I26-M30 VanDerWaalsContact CG2-CE 3.44Å; I26-M30 WeakPolarHBondContact O-CG 3.4Å; I26-M30 PolarHBondContact O-N 2.74Å; L27-M30 HydrophobicContact CD2-CE 3.66Å; L27-M30 HydrophobicContact CD2-SD 3.92Å; L27-M30 HydrophobicContact CG-CE 4.1Å; L27-M30 PolarHBondContact O-N 3.24Å; M30-G32 PolarHBondContact O-N 3.15Å; M30-V33 HydrophobicContact CB-CB 4.27Å; M30-V33 HydrophobicContact CB-CG2 3.51Å; M30-V33 PolarHBondContact O-N 2.88Å; M30-L204 HydrophobicContact CE-CD1 3.5Å; M30-L204 VanDerWaalsContact CE-CD1 3.5Å; M30-L204 HydrophobicContact CE-CD2 4.26Å; M30-L204 HydrophobicContact SD-CD1 4.06Å; M30-Y229 HydrophobicContact CB-CD1 4.33Å; M30-Y229 HydrophobicContact CB-CE1 4.28Å; M30-Y229 HydrophobicContact SD-CD1 3.77Å
31P89.8Confident90.7Very high104 Ų10466.8 Ų66.868%0.67535%0.345SS*.THydrogen-bonded Turntrans-63.7131-178.126.2-34000111.6V33 Y229P31-V33 PolarHBondContact O-N 3.05Å; P31-Y229 WeakPolarHBondContact O-CE1 3.34Å; P31-Y229 PolarHBondContact O-OH 2.89Å
32G91.1Very high90.9Very high37 Ų3767.5 Ų67.538%0.38135%0.349SS..THydrogen-bonded Turntrans76-5.5177.200000114.9M30 V34 V80 K81M30-G32 PolarHBondContact O-N 3.15Å; G32-V34 PolarHBondContact O-N 3.2Å; G32-V80 CarbonylContact O-C 3.59Å; G32-V80 WeakPolarHBondContact O-CA 3.35Å; G32-K81 PolarHBondContact O-N 3.48Å
33V94.6Very high91.3Very high21 Ų2170.2 Ų70.213%0.12736%0.363CS..EExtended strand (participates in β ladder)trans-69130.4177.3175.70000110.3L27 M30 P31 W78 S79 V80 Y229L27-V33 HydrophobicContact CB-CG1 4.42Å; L27-V33 WeakPolarHBondContact O-CB 3.22Å; L27-V33 WeakPolarHBondContact O-CG1 3.44Å; M30-V33 HydrophobicContact CB-CB 4.27Å; M30-V33 HydrophobicContact CB-CG2 3.51Å; M30-V33 PolarHBondContact O-N 2.88Å; P31-V33 PolarHBondContact O-N 3.05Å; V33-W78 HydrophobicContact CB-CE3 4.49Å; V33-W78 HydrophobicContact CG1-CB 4.32Å; V33-W78 HydrophobicContact CG1-CE3 3.95Å; V33-W78 HydrophobicContact CG2-CE3 3.84Å; V33-W78 HydrophobicContact CG2-CZ3 3.77Å; V33-S79 WeakPolarHBondContact CA-O 3.49Å; V33-V80 HydrophobicContact CG2-CG2 4.5Å; V33-Y229 HydrophobicContact CG2-CD1 4.24Å; V33-Y229 HydrophobicContact CG2-CE1 3.71Å
34V94.3Very high91.6Very high52 Ų5269.9 Ų69.932%0.31536%0.363SS..EExtended strand (participates in β ladder)trans-141.5168.8180-63.80000109.9G32 L36 S79 K81G32-V34 PolarHBondContact O-N 3.2Å; V34-L36 VanDerWaalsContact C-N 3.3Å; V34-L36 PolarHBondContact O-N 3.13Å; V34-S79 PolarHBondContact N-O 2.97Å; V34-S79 CarbonylContact O-C 3.6Å; V34-S79 WeakPolarHBondContact O-CA 3.48Å; V34-S79 PolarHBondContact O-N 2.81Å; V34-K81 HydrophobicContact CG1-CB 3.97Å; V34-K81 HydrophobicContact CG2-CB 4.02Å
35D92.3Very high91.9Very high68 Ų6875.2 Ų75.236%0.36439%0.388SS..EExtended strand (participates in β ladder)trans53.143.9173.8-160.837.6000114.1R37D35-R37 VanDerWaalsContact CG-NE 3.34Å; D35-R37 VanDerWaalsContact CG-NH2 3.29Å; D35-R37 PolarHBondContact O-N 3.44Å; D35-R37 IonicContact OD1-CZ 2.79Å; D35-R37 IonicContact OD1-NE 3.31Å; D35-R37 PolarHBondContact OD1-NE 2.84Å; D35-R37 IonicContact OD1-NH2 3.77Å; D35-R37 PolarHBondContact OD1-NH2 3.01Å; D35-R37 IonicContact OD2-CZ 3.02Å; D35-R37 VanDerWaalsContact OD2-CZ 3.31Å; D35-R37 IonicContact OD2-NE 2.75Å; D35-R37 PolarHBondContact OD2-NE 3.41Å; D35-R37 IonicContact OD2-NH2 2.78Å; D35-R37 PolarHBondContact OD2-NH2 2.72Å
36L94.7Very high92.2Very high50 Ų5076.1 Ų76.126%0.26240%0.395SS..EExtended strand (participates in β ladder)trans-71.8116.4173.6-175.2136.8000109.6T24 L27 V34 T77T24-L36 HydrophobicContact CG2-CD2 4.22Å; L27-L36 HydrophobicContact CB-CD1 3.43Å; L27-L36 VanDerWaalsContact CB-CD1 3.43Å; L27-L36 HydrophobicContact CD1-CD1 3.78Å; L27-L36 HydrophobicContact CG-CD1 4.25Å; V34-L36 VanDerWaalsContact C-N 3.3Å; V34-L36 PolarHBondContact O-N 3.13Å; L36-T77 WeakPolarHBondContact CA-O 3.26Å
37R92.9Very high92.5Very high149 Ų14980.6 Ų80.656%0.56241%0.406SS*.EExtended strand (participates in β ladder)trans-125.2127.2-178.5-60.5-178.3-174.3177.57.3110.1D35 L76 T77D35-R37 VanDerWaalsContact CG-NE 3.34Å; D35-R37 VanDerWaalsContact CG-NH2 3.29Å; D35-R37 PolarHBondContact O-N 3.44Å; D35-R37 IonicContact OD1-CZ 2.79Å; D35-R37 IonicContact OD1-NE 3.31Å; D35-R37 PolarHBondContact OD1-NE 2.84Å; D35-R37 IonicContact OD1-NH2 3.77Å; D35-R37 PolarHBondContact OD1-NH2 3.01Å; D35-R37 IonicContact OD2-CZ 3.02Å; D35-R37 VanDerWaalsContact OD2-CZ 3.31Å; D35-R37 IonicContact OD2-NE 2.75Å; D35-R37 PolarHBondContact OD2-NE 3.41Å; D35-R37 IonicContact OD2-NH2 2.78Å; D35-R37 PolarHBondContact OD2-NH2 2.72Å; R37-L76 WeakPolarHBondContact O-CA 3.31Å; R37-T77 PolarHBondContact N-O 3.25Å; R37-T77 PolarHBondContact O-N 3.38Å
38F92.6Very high92.7Very high14 Ų1483.4 Ų83.46%0.06142%0.424CS..EExtended strand (participates in β ladder)trans-111.2122.8168.6175-107.8000108.3F12 A16 L19 E40 F74 L76F12-F38 HydrophobicContact CD2-CD1 4.42Å; F12-F38 HydrophobicContact CE2-CB 4.32Å; F12-F38 AromaticContact CE2-CD1 3.79Å; F12-F38 HydrophobicContact CE2-CD1 3.79Å; F12-F38 WeakPolarHBondContact CE2-O 2.98Å; F12-F38 HydrophobicContact CZ-CB 3.9Å; F12-F38 HydrophobicContact CZ-CD1 4.14Å; F12-F38 WeakPolarHBondContact CZ-O 3.45Å; A16-F38 HydrophobicContact CB-CB 4.23Å; A16-F38 HydrophobicContact CB-CD1 3.51Å; A16-F38 HydrophobicContact CB-CD2 4.34Å; A16-F38 HydrophobicContact CB-CE1 3.92Å; A16-F38 HydrophobicContact CB-CG 3.75Å; A16-F38 HydrophobicContact CB-CZ 4.5Å; L19-F38 HydrophobicContact CD1-CE2 4.48Å; L19-F38 HydrophobicContact CD1-CZ 3.79Å; F38-E40 HydrophobicContact CE1-CB 4.21Å; F38-E40 PolarHBondContact O-N 3.25Å; F38-F74 HydrophobicContact CD2-CE2 4.14Å; F38-F74 AromaticContact CE2-CD2 3.67Å; F38-F74 HydrophobicContact CE2-CD2 3.67Å; F38-F74 AromaticContact CE2-CE2 3.49Å; F38-F74 HydrophobicContact CE2-CE2 3.49Å; F38-F74 VanDerWaalsContact CE2-CE2 3.49Å; F38-F74 HydrophobicContact CE2-CZ 4.32Å; F38-F74 HydrophobicContact CZ-CD2 4.47Å; F38-F74 HydrophobicContact CZ-CE2 4.49Å; F38-L76 HydrophobicContact CD2-CB 4.38Å; F38-L76 HydrophobicContact CD2-CD1 4.41Å
39A90.8Very high92.9Very high37 Ų3779 Ų7931%0.30640%0.403SS..  trans-91101.8176.400000109.3T75A39-T75 PolarHBondContact N-O 2.72Å
40E83.3Confident93.1Very high108 Ų10876.9 Ų76.951%0.50539%0.391SS..  trans-63.8142.3174.8-171.5167.2-166.400110.9F38F38-E40 HydrophobicContact CE1-CB 4.21Å; F38-E40 PolarHBondContact O-N 3.25Å
41R90.1Very high93.3Very high110 Ų11078.4 Ų78.442%0.41541%0.405SS..  trans-135.4139.4-179.7-60.8-68.3177.7148-3.8108.3
42D91.3Very high93.6Very high138 Ų13874.4 Ų74.474%0.73838%0.376SS*.PPolyproline II helixtrans-65.5151.3171.4-64.2-67.3000110.6D72D42-D72 WeakPolarHBondContact O-CB 3.32Å; D42-D72 PolarHBondContact O-N 3.12Å
43P95.3Very high93.8Very high76 Ų7673.8 Ų73.849%0.49436%0.364SS..PPolyproline II helixtrans-56.1144.3169.3-25.334.1000112.8L69P43-L69 WeakPolarHBondContact CB-O 3.47Å
44A96.1Very high93.8Very high10 Ų1079.9 Ų79.98%0.08339%0.391CS..PPolyproline II helixtrans-69.8139.2172.500000111L49 Y68 D72 V97A44-L49 HydrophobicContact CB-CD2 3.9Å; A44-L49 HydrophobicContact CB-CG 4.33Å; A44-Y68 WeakPolarHBondContact CB-O 3.49Å; A44-Y68 PolarHBondContact N-O 3.02Å; A44-D72 HydrophobicContact CB-CB 4.05Å; A44-V97 HydrophobicContact CB-CG1 4.27Å
45E95.9Very high93.7Very high119 Ų11985.8 Ų85.856%0.55641%0.412SS*.PPolyproline II helixtrans-67.5137.6171.6-64.7-173.2-174.500111.1R47 T48 L49E45-R47 PolarHBondContact O-N 2.83Å; E45-R47 VanDerWaalsContact O-N 3.11Å; E45-R47 IonicContact OE2-NH1 4Å; E45-T48 WeakPolarHBondContact O-CA 3.35Å; E45-T48 WeakPolarHBondContact O-CB 3.19Å; E45-T48 PolarHBondContact O-N 2.82Å; E45-L49 PolarHBondContact O-N 3.1Å
46K95.8Very high93.7Very high153 Ų15383.5 Ų83.567%0.66540%0.4SS*.Hα-helixtrans-51.4-37.7173.7-71.4-178.6178.4-1760112.7T48 L49 L50 L69K46-T48 VanDerWaalsContact C-N 3.33Å; K46-T48 PolarHBondContact O-N 3.25Å; K46-L49 PolarHBondContact O-N 2.96Å; K46-L50 WeakPolarHBondContact O-CG 3.25Å; K46-L50 PolarHBondContact O-N 3.11Å; K46-L69 HydrophobicContact CG-CD2 3.59Å
47R96.2Very high93.6Very high181 Ų18184 Ų8468%0.68341%0.405SS*.Hα-helixtrans-62.7-40.3177.6-176.2-173.5-69.7131.2-6.5111.6E45 L50 S51E45-R47 PolarHBondContact O-N 2.83Å; E45-R47 VanDerWaalsContact O-N 3.11Å; E45-R47 IonicContact OE2-NH1 4Å; R47-L50 PolarHBondContact O-N 3.46Å; R47-S51 VanDerWaalsContact O-CB 3.28Å; R47-S51 WeakPolarHBondContact O-CB 3.32Å; R47-S51 PolarHBondContact O-N 3.47Å; R47-S51 PolarHBondContact O-OG 3.23Å
48T95.6Very high93.7Very high60 Ų6077 Ų7737%0.36838%0.379SS..Hα-helixtrans-64.7-42.9178.5-55.70000110.8E45 K46 S51 W52 V97E45-T48 WeakPolarHBondContact O-CA 3.35Å; E45-T48 WeakPolarHBondContact O-CB 3.19Å; E45-T48 PolarHBondContact O-N 2.82Å; K46-T48 VanDerWaalsContact C-N 3.33Å; K46-T48 PolarHBondContact O-N 3.25Å; T48-S51 PolarHBondContact O-N 3.33Å; T48-W52 WeakPolarHBondContact O-CB 3.2Å; T48-W52 PolarHBondContact O-N 2.98Å; T48-V97 HydrophobicContact CG2-CG1 3.65Å
49L96.2Very high93.8Very high4 Ų479 Ų792%0.02139%0.39CS..Hα-helixtrans-61.6-49.7175.6-56.2-172.9000111.4A44 E45 K46 S51 W52 E53 L60 R65 Y68 L69 V97A44-L49 HydrophobicContact CB-CD2 3.9Å; A44-L49 HydrophobicContact CB-CG 4.33Å; E45-L49 PolarHBondContact O-N 3.1Å; K46-L49 PolarHBondContact O-N 2.96Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 2.61Å; L49-W52 WeakPolarHBondContact O-CB 3.36Å; L49-W52 PolarHBondContact O-N 3.23Å; L49-W52 VanDerWaalsContact O-N 3.15Å; L49-E53 WeakPolarHBondContact O-CG 3.41Å; L49-E53 PolarHBondContact O-N 3.05Å; L49-L60 HydrophobicContact CB-CD1 4.38Å; L49-L60 HydrophobicContact CD2-CD1 4.16Å; L49-R65 HydrophobicContact CD1-CG 3.77Å; L49-Y68 HydrophobicContact CD2-CD2 4.33Å; L49-Y68 HydrophobicContact CD2-CG 4.38Å; L49-L69 HydrophobicContact CD1-CD2 3.75Å; L49-L69 HydrophobicContact CD1-CG 3.87Å; L49-V97 HydrophobicContact CD2-CB 3.95Å; L49-V97 HydrophobicContact CD2-CG1 4.05Å; L49-V97 HydrophobicContact CD2-CG2 3.78Å
50L95.7Very high94.1Very high94 Ų9477.3 Ų77.349%0.49238%0.376SS..Hα-helixtrans-60-39.5177.3-70.5171.7000112.2K46 R47 E53 Q54K46-L50 WeakPolarHBondContact O-CG 3.25Å; K46-L50 PolarHBondContact O-N 3.11Å; R47-L50 PolarHBondContact O-N 3.46Å; L50-E53 PolarHBondContact O-N 2.85Å; L50-Q54 WeakPolarHBondContact O-CB 3.42Å; L50-Q54 VanDerWaalsContact O-CG 3.25Å; L50-Q54 WeakPolarHBondContact O-CG 3.35Å; L50-Q54 PolarHBondContact O-N 2.83Å
51S95.8Very high94.7Very high61 Ų6173.1 Ų73.143%0.42736%0.358SS..Hα-helixtrans-67.3-38.9178.4-59.40000111.2R47 T48 L49 K55R47-S51 VanDerWaalsContact O-CB 3.28Å; R47-S51 WeakPolarHBondContact O-CB 3.32Å; R47-S51 PolarHBondContact O-N 3.47Å; R47-S51 PolarHBondContact O-OG 3.23Å; T48-S51 PolarHBondContact O-N 3.33Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 2.61Å; S51-K55 VanDerWaalsContact O-CB 3.23Å; S51-K55 WeakPolarHBondContact O-CB 3.34Å; S51-K55 PolarHBondContact O-N 3.24Å
52W95.3Very high95Very high21 Ų2174.7 Ų74.78%0.0837%0.37CS..Hα-helixtrans-64.1-46.5173.4-175.598.8000111T48 L49 Q54 K55 N56 C58 L60 V97 L100 Y148T48-W52 WeakPolarHBondContact O-CB 3.2Å; T48-W52 PolarHBondContact O-N 2.98Å; L49-W52 WeakPolarHBondContact O-CB 3.36Å; L49-W52 PolarHBondContact O-N 3.23Å; L49-W52 VanDerWaalsContact O-N 3.15Å; W52-Q54 PolarHBondContact O-N 2.9Å; W52-K55 PolarHBondContact O-N 3.43Å; W52-N56 VanDerWaalsContact CD2-ND2 3.31Å; W52-N56 PolarHBondContact NE1-ND2 3.06Å; W52-N56 VanDerWaalsContact O-CB 3.27Å; W52-N56 WeakPolarHBondContact O-CB 3.35Å; W52-N56 PolarHBondContact O-N 3.04Å; W52-N56 PolarHBondContact O-ND2 2.78Å; W52-C58 VanDerWaalsContact CH2-SG 3.54Å; W52-C58 WeakPolarHBondContact CZ3-SG 3.47Å; W52-L60 HydrophobicContact CE3-CD1 4.13Å; W52-L60 HydrophobicContact CE3-CD2 3.83Å; W52-L60 HydrophobicContact CE3-CG 3.8Å; W52-L60 HydrophobicContact CH2-CD2 3.79Å; W52-L60 HydrophobicContact CZ3-CD1 4.43Å; W52-L60 HydrophobicContact CZ3-CD2 3.35Å; W52-L60 HydrophobicContact CZ3-CG 3.63Å; W52-V97 HydrophobicContact CB-CG2 3.81Å; W52-V97 HydrophobicContact CD2-CG2 4.34Å; W52-V97 HydrophobicContact CG-CG2 3.7Å; W52-L100 HydrophobicContact CH2-CD2 3.95Å; W52-L100 HydrophobicContact CZ2-CB 4.4Å; W52-L100 HydrophobicContact CZ2-CD2 3.42Å; W52-L100 VanDerWaalsContact CZ2-CD2 3.42Å; W52-L100 HydrophobicContact CZ2-CG 3.69Å; W52-L100 PolarHBondContact NE1-O 2.79Å; W52-Y148 HydrophobicContact CH2-CD1 4.23Å; W52-Y148 AromaticContact CH2-CD2 3.87Å; W52-Y148 HydrophobicContact CH2-CD2 3.87Å; W52-Y148 HydrophobicContact CH2-CE1 4.27Å; W52-Y148 AromaticContact CH2-CE2 3.89Å; W52-Y148 HydrophobicContact CH2-CE2 3.89Å; W52-Y148 HydrophobicContact CH2-CG 4.05Å; W52-Y148 AromaticContact CZ2-CD1 3.55Å; W52-Y148 HydrophobicContact CZ2-CD1 3.55Å; W52-Y148 AromaticContact CZ2-CD2 3.98Å; W52-Y148 HydrophobicContact CZ2-CD2 3.98Å; W52-Y148 AromaticContact CZ2-CE1 3.8Å; W52-Y148 HydrophobicContact CZ2-CE1 3.8Å; W52-Y148 HydrophobicContact CZ2-CE2 4.19Å; W52-Y148 AromaticContact CZ2-CG 3.66Å; W52-Y148 HydrophobicContact CZ2-CG 3.66Å
53E95.6Very high95.3Very high24 Ų2469.8 Ų69.811%0.11234%0.343CS..Hα-helixtrans-61.4-44.6178.8-71.4177.4148.300112.2L49 L50 N56 T57 C58 L60 R65L49-E53 WeakPolarHBondContact O-CG 3.41Å; L49-E53 PolarHBondContact O-N 3.05Å; L50-E53 PolarHBondContact O-N 2.85Å; E53-N56 PolarHBondContact O-N 2.89Å; E53-T57 WeakPolarHBondContact O-CA 3.2Å; E53-T57 PolarHBondContact O-N 3.36Å; E53-C58 CarbonylContact C-O 3.52Å; E53-C58 WeakPolarHBondContact CA-O 3.33Å; E53-C58 WeakPolarHBondContact CB-O 3.25Å; E53-C58 WeakPolarHBondContact CG-O 3.48Å; E53-C58 PolarHBondContact O-N 3.39Å; E53-C58 VanDerWaalsContact O-N 3.15Å; E53-L60 HydrophobicContact CG-CD1 4.35Å; E53-L60 HydrophobicContact CG-CG 4.1Å; E53-L60 WeakPolarHBondContact OE1-CB 3.29Å; E53-L60 PolarHBondContact OE1-N 2.96Å; E53-R65 IonicContact OE1-CZ 2.87Å; E53-R65 IonicContact OE1-NE 3.57Å; E53-R65 IonicContact OE1-NH2 2.76Å; E53-R65 PolarHBondContact OE1-NH2 3.16Å
54Q94Very high95.4Very high149 Ų14966.1 Ų66.170%0.69632%0.32SS*.Hα-helixtrans-63.7-46.5176.6-74.7175.22.300111.9L50 W52 N56 T57L50-Q54 WeakPolarHBondContact O-CB 3.42Å; L50-Q54 VanDerWaalsContact O-CG 3.25Å; L50-Q54 WeakPolarHBondContact O-CG 3.35Å; L50-Q54 PolarHBondContact O-N 2.83Å; W52-Q54 PolarHBondContact O-N 2.9Å; Q54-N56 VanDerWaalsContact C-N 3.29Å; Q54-N56 PolarHBondContact O-N 3.13Å; Q54-T57 PolarHBondContact O-N 2.93Å
55K93.1Very high95.4Very high175 Ų17568.5 Ų68.576%0.76133%0.326SS*.Hα-helixtrans-60.2-40.7179.3178.2-177.4175.6-175.50112.1S51 W52S51-K55 VanDerWaalsContact O-CB 3.23Å; S51-K55 WeakPolarHBondContact O-CB 3.34Å; S51-K55 PolarHBondContact O-N 3.24Å; W52-K55 PolarHBondContact O-N 3.43Å
56N91.7Very high95.4Very high20 Ų2066.7 Ų66.711%0.10732%0.321CS..Hα-helixtrans-95.3-1.4-173.4-70.4-58.3000112.9W52 E53 Q54 C58 Y148W52-N56 VanDerWaalsContact CD2-ND2 3.31Å; W52-N56 PolarHBondContact NE1-ND2 3.06Å; W52-N56 VanDerWaalsContact O-CB 3.27Å; W52-N56 WeakPolarHBondContact O-CB 3.35Å; W52-N56 PolarHBondContact O-N 3.04Å; W52-N56 PolarHBondContact O-ND2 2.78Å; E53-N56 PolarHBondContact O-N 2.89Å; Q54-N56 VanDerWaalsContact C-N 3.29Å; Q54-N56 PolarHBondContact O-N 3.13Å; N56-C58 VanDerWaalsContact CB-SG 3.51Å; N56-C58 PolarHBondContact O-N 3.33Å; N56-Y148 HydrophobicContact CB-CE1 4.04Å; N56-Y148 WeakPolarHBondContact CB-OH 3.4Å; N56-Y148 PolarHBondContact O-OH 3.22Å; N56-Y148 WeakPolarHBondContact OD1-CE1 3.32Å
57T93.1Very high95.4Very high62 Ų6260.3 Ų60.338%0.3829%0.293SS..THydrogen-bonded Turntrans53.229.5-177.455.90000113.5E53 Q54 R146 V171 A172E53-T57 WeakPolarHBondContact O-CA 3.2Å; E53-T57 PolarHBondContact O-N 3.36Å; Q54-T57 PolarHBondContact O-N 2.93Å; T57-R146 VanDerWaalsContact C-NH1 3.26Å; T57-R146 PolarHBondContact O-NH1 2.76Å; T57-R146 PolarHBondContact OG1-NH1 3.12Å; T57-R146 PolarHBondContact OG1-NH2 3.34Å; T57-V171 WeakPolarHBondContact O-CA 3.44Å; T57-A172 PolarHBondContact O-N 3.49Å; T57-A172 VanDerWaalsContact O-N 3.11Å
58C93.9Very high95.5Very high1 Ų151.7 Ų51.71%0.00726%0.261CS..BIsolated β-bridgetrans-133.4154.2-17956.70000110.8W52 E53 N56 Y163 A172W52-C58 VanDerWaalsContact CH2-SG 3.54Å; W52-C58 WeakPolarHBondContact CZ3-SG 3.47Å; E53-C58 CarbonylContact C-O 3.52Å; E53-C58 WeakPolarHBondContact CA-O 3.33Å; E53-C58 WeakPolarHBondContact CB-O 3.25Å; E53-C58 WeakPolarHBondContact CG-O 3.48Å; E53-C58 PolarHBondContact O-N 3.39Å; E53-C58 VanDerWaalsContact O-N 3.15Å; N56-C58 VanDerWaalsContact CB-SG 3.51Å; N56-C58 PolarHBondContact O-N 3.33Å; C58-Y163 HydrophobicContact CB-CD1 4.33Å; C58-Y163 HydrophobicContact CB-CD2 4.3Å; C58-Y163 HydrophobicContact CB-CE1 4.02Å; C58-Y163 HydrophobicContact CB-CE2 4.02Å; C58-Y163 HydrophobicContact CB-CG 4.45Å; C58-A172 CarbonylContact C-O 3.57Å; C58-A172 VanDerWaalsContact CA-O 3.3Å; C58-A172 WeakPolarHBondContact CA-O 3.34Å; C58-A172 HydrophobicContact CB-CB 4.07Å
59I95.4Very high95.5Very high56 Ų5651.5 Ų51.529%0.28726%0.257SS..PPolyproline II helixtrans-100.4126.7177.8-59.8-174.8000108.2Y163 V171 A172 Q173I59-Y163 VanDerWaalsContact O-CE1 3.26Å; I59-Y163 WeakPolarHBondContact O-CE1 3.24Å; I59-Y163 PolarHBondContact O-OH 2.83Å; I59-V171 HydrophobicContact CD1-CG1 4Å; I59-V171 HydrophobicContact CG1-CG1 3.6Å; I59-A172 PolarHBondContact N-O 3.1Å; I59-Q173 HydrophobicContact CD1-CG 3.82Å; I59-Q173 HydrophobicContact CG1-CG 4.31Å
60L96.6Very high95.3Very high2 Ų255.5 Ų55.51%0.0128%0.282CS..PPolyproline II helixtrans-61.3140.1173.5-72.4168.4000109.7L49 W52 E53 L64 R65 Y68 L100 L161L49-L60 HydrophobicContact CB-CD1 4.38Å; L49-L60 HydrophobicContact CD2-CD1 4.16Å; W52-L60 HydrophobicContact CE3-CD1 4.13Å; W52-L60 HydrophobicContact CE3-CD2 3.83Å; W52-L60 HydrophobicContact CE3-CG 3.8Å; W52-L60 HydrophobicContact CH2-CD2 3.79Å; W52-L60 HydrophobicContact CZ3-CD1 4.43Å; W52-L60 HydrophobicContact CZ3-CD2 3.35Å; W52-L60 HydrophobicContact CZ3-CG 3.63Å; E53-L60 HydrophobicContact CG-CD1 4.35Å; E53-L60 HydrophobicContact CG-CG 4.1Å; E53-L60 WeakPolarHBondContact OE1-CB 3.29Å; E53-L60 PolarHBondContact OE1-N 2.96Å; L60-L64 HydrophobicContact CD2-CD2 3.98Å; L60-L64 HydrophobicContact CD2-CG 4.5Å; L60-R65 HydrophobicContact CB-CB 4.33Å; L60-R65 PolarHBondContact O-NH1 3.21Å; L60-R65 PolarHBondContact O-NH2 2.76Å; L60-Y68 HydrophobicContact CD1-CD2 4.48Å; L60-L100 HydrophobicContact CD2-CD2 4.11Å; L60-L161 HydrophobicContact CD2-CD2 4.21Å
61P96.9Very high95.3Very high20 Ų2051.1 Ų51.113%0.1326%0.259CS..PPolyproline II helixtrans-61.1146.717227.7-32.7000109.4D63 L64 R65 L161 S175P61-D63 VanDerWaalsContact C-N 3.27Å; P61-D63 PolarHBondContact O-N 3.31Å; P61-L64 HydrophobicContact CG-CB 3.69Å; P61-L64 HydrophobicContact CG-CD2 4.26Å; P61-L64 PolarHBondContact O-N 2.88Å; P61-R65 PolarHBondContact O-N 3.13Å; P61-L161 HydrophobicContact CG-CD1 4.12Å; P61-S175 WeakPolarHBondContact CB-OG 3.37Å; P61-S175 VanDerWaalsContact CG-OG 3.27Å; P61-S175 WeakPolarHBondContact CG-OG 3.33Å
62E96.6Very high95.2Very high142 Ų14250.6 Ų50.666%0.66425%0.251SS*.Hα-helixtrans-54.5-44.3-172-174177.6-174.900112.4R65 D66E62-R65 WeakPolarHBondContact O-CB 3.43Å; E62-R65 PolarHBondContact O-N 3.13Å; E62-D66 WeakPolarHBondContact O-CB 3.43Å; E62-D66 PolarHBondContact O-N 2.79Å
63D96.9Very high95.2Very high35 Ų3549.6 Ų49.619%0.18725%0.248CC..Hα-helixtrans-68.2-36.9-178.961.4-14.4000114P61 F67 F193 T194P61-D63 VanDerWaalsContact C-N 3.27Å; P61-D63 PolarHBondContact O-N 3.31Å; D63-F67 WeakPolarHBondContact O-CB 3.4Å; D63-F67 PolarHBondContact O-N 2.83Å; D63-F193 PolarHBondContact OD2-N 2.81Å; D63-F193 VanDerWaalsContact OD2-N 3.12Å; D63-T194 WeakPolarHBondContact CB-OG1 3.19Å; D63-T194 PolarHBondContact OD2-N 3.36Å; D63-T194 PolarHBondContact OD2-OG1 2.71Å
64L96.9Very high95.1Very high0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-70.2-37.3172.2-177.855.9000111.8L60 P61 F67 Y68 L150 L161 F193L60-L64 HydrophobicContact CD2-CD2 3.98Å; L60-L64 HydrophobicContact CD2-CG 4.5Å; P61-L64 HydrophobicContact CG-CB 3.69Å; P61-L64 HydrophobicContact CG-CD2 4.26Å; P61-L64 PolarHBondContact O-N 2.88Å; L64-F67 HydrophobicContact CD1-CD1 4.23Å; L64-F67 WeakPolarHBondContact O-CB 3.49Å; L64-F67 PolarHBondContact O-N 2.95Å; L64-Y68 HydrophobicContact CD1-CD2 3.92Å; L64-Y68 HydrophobicContact CD1-CE2 3.42Å; L64-Y68 VanDerWaalsContact CD1-CE2 3.42Å; L64-Y68 HydrophobicContact CD2-CE2 4.02Å; L64-Y68 HydrophobicContact CG-CD2 3.89Å; L64-Y68 HydrophobicContact CG-CE2 3.52Å; L64-Y68 VanDerWaalsContact O-CD2 3.27Å; L64-Y68 WeakPolarHBondContact O-CD2 3.28Å; L64-Y68 PolarHBondContact O-N 3.04Å; L64-L150 HydrophobicContact CD2-CD2 4.14Å; L64-L161 HydrophobicContact CD2-CD1 4.32Å; L64-L161 HydrophobicContact CD2-CD2 3.83Å; L64-F193 HydrophobicContact CB-CB 4.03Å; L64-F193 HydrophobicContact CB-CD1 4.2Å; L64-F193 HydrophobicContact CB-CG 3.99Å; L64-F193 HydrophobicContact CD1-CD1 4.12Å; L64-F193 HydrophobicContact CD1-CD2 3.66Å; L64-F193 HydrophobicContact CD1-CE1 4.14Å; L64-F193 HydrophobicContact CD1-CE2 3.64Å; L64-F193 HydrophobicContact CD1-CG 3.89Å; L64-F193 HydrophobicContact CD1-CZ 3.89Å; L64-F193 HydrophobicContact CG-CG 4.46Å
65R96.8Very high95.2Very high59 Ų5942.5 Ų42.522%0.22322%0.216CC..Hα-helixtrans-61.5-49175-174.9-171.6-66.295.76.3110.3L49 E53 L60 P61 E62 F67 Y68 L69L49-R65 HydrophobicContact CD1-CG 3.77Å; E53-R65 IonicContact OE1-CZ 2.87Å; E53-R65 IonicContact OE1-NE 3.57Å; E53-R65 IonicContact OE1-NH2 2.76Å; E53-R65 PolarHBondContact OE1-NH2 3.16Å; L60-R65 HydrophobicContact CB-CB 4.33Å; L60-R65 PolarHBondContact O-NH1 3.21Å; L60-R65 PolarHBondContact O-NH2 2.76Å; P61-R65 PolarHBondContact O-N 3.13Å; E62-R65 WeakPolarHBondContact O-CB 3.43Å; E62-R65 PolarHBondContact O-N 3.13Å; R65-F67 VanDerWaalsContact C-N 3.29Å; R65-F67 PolarHBondContact O-N 3.32Å; R65-Y68 PolarHBondContact O-N 3.29Å; R65-Y68 VanDerWaalsContact O-N 3.15Å; R65-L69 HydrophobicContact CG-CD1 4.24Å; R65-L69 WeakPolarHBondContact O-CG 3.42Å; R65-L69 PolarHBondContact O-N 3.33Å
66D96.2Very high95.3Very high82 Ų8234.1 Ų34.144%0.43918%0.18SC..Hα-helixtrans-63.6-36.7179.3-73.5-11.2000112E62 L69 T70E62-D66 WeakPolarHBondContact O-CB 3.43Å; E62-D66 PolarHBondContact O-N 2.79Å; D66-L69 PolarHBondContact O-N 2.69Å; D66-T70 PolarHBondContact O-N 3.41Å; D66-T70 VanDerWaalsContact O-N 3.11Å; D66-T70 PolarHBondContact O-OG1 3.27Å
67F95.8Very high95.5Very high19 Ų1935.4 Ų35.48%0.08319%0.188CC..Hα-helixtrans-58.8-50.2170.6174.5-95.2000111.6D63 L64 R65 L69 T70 T71 F74 I94 F193 Y197D63-F67 WeakPolarHBondContact O-CB 3.4Å; D63-F67 PolarHBondContact O-N 2.83Å; L64-F67 HydrophobicContact CD1-CD1 4.23Å; L64-F67 WeakPolarHBondContact O-CB 3.49Å; L64-F67 PolarHBondContact O-N 2.95Å; R65-F67 VanDerWaalsContact C-N 3.29Å; R65-F67 PolarHBondContact O-N 3.32Å; F67-L69 VanDerWaalsContact C-N 3.31Å; F67-L69 PolarHBondContact O-N 2.94Å; F67-T70 CarbonylContact O-C 3.57Å; F67-T70 WeakPolarHBondContact O-CA 3.39Å; F67-T70 WeakPolarHBondContact O-CB 3.45Å; F67-T70 PolarHBondContact O-N 3.4Å; F67-T71 HydrophobicContact CD2-CG2 4.17Å; F67-T71 HydrophobicContact CE1-CG2 4.13Å; F67-T71 HydrophobicContact CE2-CG2 3.7Å; F67-T71 HydrophobicContact CZ-CG2 3.7Å; F67-T71 PolarHBondContact O-N 3.08Å; F67-F74 HydrophobicContact CE2-CB 4.47Å; F67-F74 HydrophobicContact CZ-CB 3.7Å; F67-I94 HydrophobicContact CE1-CB 4.22Å; F67-I94 HydrophobicContact CE1-CG2 3.82Å; F67-I94 HydrophobicContact CZ-CB 4.26Å; F67-I94 HydrophobicContact CZ-CG1 4.31Å; F67-I94 HydrophobicContact CZ-CG2 4.33Å; F67-F193 HydrophobicContact CB-CD1 4.33Å; F67-F193 HydrophobicContact CB-CE1 3.56Å; F67-F193 HydrophobicContact CB-CZ 4.19Å; F67-F193 HydrophobicContact CD1-CE1 4.03Å; F67-F193 AromaticContact CD1-CZ 3.75Å; F67-F193 HydrophobicContact CD1-CZ 3.75Å; F67-F193 AromaticContact CD2-CE1 3.78Å; F67-F193 HydrophobicContact CD2-CE1 3.78Å; F67-F193 AromaticContact CD2-CZ 3.91Å; F67-F193 HydrophobicContact CD2-CZ 3.91Å; F67-F193 HydrophobicContact CE1-CZ 4.01Å; F67-F193 HydrophobicContact CE2-CE1 4.44Å; F67-F193 HydrophobicContact CE2-CZ 4.15Å; F67-F193 AromaticContact CG-CE1 3.51Å; F67-F193 HydrophobicContact CG-CE1 3.51Å; F67-F193 AromaticContact CG-CZ 3.67Å; F67-F193 HydrophobicContact CG-CZ 3.67Å; F67-F193 HydrophobicContact CZ-CZ 4.18Å; F67-Y197 HydrophobicContact CE2-CD2 4.2Å; F67-Y197 AromaticContact CE2-CE2 3.7Å; F67-Y197 HydrophobicContact CE2-CE2 3.7Å; F67-Y197 HydrophobicContact CZ-CE2 4.27Å
68Y96.9Very high95.7Very high0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-65-33178-73.3-49.4000113.5A44 L49 L60 L64 R65 T70 T71 N95 L100A44-Y68 WeakPolarHBondContact CB-O 3.49Å; A44-Y68 PolarHBondContact N-O 3.02Å; L49-Y68 HydrophobicContact CD2-CD2 4.33Å; L49-Y68 HydrophobicContact CD2-CG 4.38Å; L60-Y68 HydrophobicContact CD1-CD2 4.48Å; L64-Y68 HydrophobicContact CD1-CD2 3.92Å; L64-Y68 HydrophobicContact CD1-CE2 3.42Å; L64-Y68 VanDerWaalsContact CD1-CE2 3.42Å; L64-Y68 HydrophobicContact CD2-CE2 4.02Å; L64-Y68 HydrophobicContact CG-CD2 3.89Å; L64-Y68 HydrophobicContact CG-CE2 3.52Å; L64-Y68 VanDerWaalsContact O-CD2 3.27Å; L64-Y68 WeakPolarHBondContact O-CD2 3.28Å; L64-Y68 PolarHBondContact O-N 3.04Å; R65-Y68 PolarHBondContact O-N 3.29Å; R65-Y68 VanDerWaalsContact O-N 3.15Å; Y68-T70 PolarHBondContact O-N 2.79Å; Y68-T71 WeakPolarHBondContact CA-O 3.45Å; Y68-T71 CarbonylContact O-C 3.55Å; Y68-T71 PolarHBondContact O-N 3.02Å; Y68-N95 VanDerWaalsContact CE1-O 3.23Å; Y68-N95 WeakPolarHBondContact CE1-O 3.42Å; Y68-N95 PolarHBondContact OH-O 2.99Å; Y68-L100 HydrophobicContact CE2-CD2 4.37Å
69L95.5Very high95.8Very high55 Ų5532.9 Ų32.929%0.28817%0.173SC..THydrogen-bonded Turntrans-69.6-10.7171.6-67.3175.4000113.3P43 K46 L49 R65 D66 F67P43-L69 WeakPolarHBondContact CB-O 3.47Å; K46-L69 HydrophobicContact CG-CD2 3.59Å; L49-L69 HydrophobicContact CD1-CD2 3.75Å; L49-L69 HydrophobicContact CD1-CG 3.87Å; R65-L69 HydrophobicContact CG-CD1 4.24Å; R65-L69 WeakPolarHBondContact O-CG 3.42Å; R65-L69 PolarHBondContact O-N 3.33Å; D66-L69 PolarHBondContact O-N 2.69Å; F67-L69 VanDerWaalsContact C-N 3.31Å; F67-L69 PolarHBondContact O-N 2.94Å
70T93.1Very high95.8Very high88 Ų8830.2 Ų30.254%0.5416%0.159SC..THydrogen-bonded Turntrans-100.4-38.8173-54.50000111.6L19 D66 F67 Y68L19-T70 HydrophobicContact CD2-CG2 4.18Å; D66-T70 PolarHBondContact O-N 3.41Å; D66-T70 VanDerWaalsContact O-N 3.11Å; D66-T70 PolarHBondContact O-OG1 3.27Å; F67-T70 CarbonylContact O-C 3.57Å; F67-T70 WeakPolarHBondContact O-CA 3.39Å; F67-T70 WeakPolarHBondContact O-CB 3.45Å; F67-T70 PolarHBondContact O-N 3.4Å; Y68-T70 PolarHBondContact O-N 2.79Å
71T94.3Very high95.7Very high3 Ų335.5 Ų35.52%0.01818%0.182CC..  trans-158.2126.7-178.3-177.80000110.6L19 F67 Y68 G73L19-T71 HydrophobicContact CD1-CG2 4.24Å; L19-T71 HydrophobicContact CD2-CG2 4.26Å; F67-T71 HydrophobicContact CD2-CG2 4.17Å; F67-T71 HydrophobicContact CE1-CG2 4.13Å; F67-T71 HydrophobicContact CE2-CG2 3.7Å; F67-T71 HydrophobicContact CZ-CG2 3.7Å; F67-T71 PolarHBondContact O-N 3.08Å; Y68-T71 WeakPolarHBondContact CA-O 3.45Å; Y68-T71 CarbonylContact O-C 3.55Å; Y68-T71 PolarHBondContact O-N 3.02Å; T71-G73 VanDerWaalsContact C-N 3.27Å; T71-G73 PolarHBondContact O-N 2.75Å; T71-G73 PolarHBondContact OG1-O 3.31Å
72D95.1Very high95.2Very high49 Ų4938.5 Ų38.526%0.26220%0.197SC..SBendtrans-7876.4178-170.821.6000112.2D42 A44 G96 V97D42-D72 WeakPolarHBondContact O-CB 3.32Å; D42-D72 PolarHBondContact O-N 3.12Å; A44-D72 HydrophobicContact CB-CB 4.05Å; D72-G96 WeakPolarHBondContact OD1-CA 3.4Å; D72-V97 PolarHBondContact OD1-N 2.96Å
73G94.4Very high94.7Very high1 Ų139 Ų391%0.0120%0.204CC..SBendtrans89.5178.4-173.300000112.3T71 I94T71-G73 VanDerWaalsContact C-N 3.27Å; T71-G73 PolarHBondContact O-N 2.75Å; T71-G73 PolarHBondContact OG1-O 3.31Å; G73-I94 CarbonylContact C-O 3.53Å; G73-I94 WeakPolarHBondContact CA-O 3.32Å
74F94.6Very high94.1Very high1 Ų144.9 Ų44.90%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-152.1137.7-174.1172.1-85.5000109.5L19 T20 F38 F67 L76 M92 M93 I94 Y197 M200L19-F74 HydrophobicContact CB-CE2 4.33Å; T20-F74 HydrophobicContact CG2-CE2 3.83Å; T20-F74 HydrophobicContact CG2-CZ 3.75Å; F38-F74 HydrophobicContact CD2-CE2 4.14Å; F38-F74 AromaticContact CE2-CD2 3.67Å; F38-F74 HydrophobicContact CE2-CD2 3.67Å; F38-F74 AromaticContact CE2-CE2 3.49Å; F38-F74 HydrophobicContact CE2-CE2 3.49Å; F38-F74 VanDerWaalsContact CE2-CE2 3.49Å; F38-F74 HydrophobicContact CE2-CZ 4.32Å; F38-F74 HydrophobicContact CZ-CD2 4.47Å; F38-F74 HydrophobicContact CZ-CE2 4.49Å; F67-F74 HydrophobicContact CE2-CB 4.47Å; F67-F74 HydrophobicContact CZ-CB 3.7Å; F74-L76 HydrophobicContact CE1-CB 3.86Å; F74-L76 HydrophobicContact CZ-CB 3.76Å; F74-M92 HydrophobicContact CD1-CB 4.36Å; F74-M92 HydrophobicContact CE1-CB 3.62Å; F74-M92 HydrophobicContact CE1-SD 4.16Å; F74-M92 HydrophobicContact CZ-SD 4.36Å; F74-M93 CarbonylContact O-C 3.56Å; F74-M93 WeakPolarHBondContact O-CA 3.2Å; F74-I94 HydrophobicContact CB-CB 4.16Å; F74-I94 HydrophobicContact CB-CG1 4.28Å; F74-I94 PolarHBondContact N-O 2.83Å; F74-I94 PolarHBondContact O-N 2.78Å; F74-Y197 HydrophobicContact CD2-CE2 4.5Å; F74-Y197 WeakPolarHBondContact CE2-OH 3.21Å; F74-Y197 HydrophobicContact CG-CE2 4.43Å; F74-M200 HydrophobicContact CD1-CE 3.89Å; F74-M200 HydrophobicContact CE1-CE 3.75Å
75T95.3Very high93.8Very high22 Ų2251.8 Ų51.814%0.13527%0.268CS..EExtended strand (participates in β ladder)trans-146.2119.7172.3-530000109.4A39 T77 M92A39-T75 PolarHBondContact N-O 2.72Å; T75-T77 HydrophobicContact CG2-CG2 4.2Å; T75-M92 CarbonylContact C-O 3.44Å; T75-M92 VanDerWaalsContact CA-O 3.3Å; T75-M92 WeakPolarHBondContact CA-O 3.33Å
76L95.5Very high93.6Very high0 Ų052.5 Ų52.50%028%0.281CS..EExtended strand (participates in β ladder)trans-127.9123.7172.1-179.3143.9000108.7T20 T24 L27 R37 F38 F74 M92T20-L76 HydrophobicContact CG2-CD1 3.69Å; T24-L76 HydrophobicContact CG2-CD1 3.68Å; L27-L76 HydrophobicContact CD1-CD2 3.91Å; R37-L76 WeakPolarHBondContact O-CA 3.31Å; F38-L76 HydrophobicContact CD2-CB 4.38Å; F38-L76 HydrophobicContact CD2-CD1 4.41Å; F74-L76 HydrophobicContact CE1-CB 3.86Å; F74-L76 HydrophobicContact CZ-CB 3.76Å; L76-M92 HydrophobicContact CB-CB 4.32Å; L76-M92 HydrophobicContact CB-SD 4.43Å; L76-M92 HydrophobicContact CD2-CE 4.22Å; L76-M92 HydrophobicContact CD2-CG 4.43Å; L76-M92 HydrophobicContact CD2-SD 3.96Å; L76-M92 PolarHBondContact N-O 3.4Å; L76-M92 PolarHBondContact O-N 2.69Å
77T96.3Very high93.4Very high47 Ų4750.7 Ų50.729%0.28827%0.273SS..EExtended strand (participates in β ladder)trans-125.1147.8178.859.50000110.3L36 R37 T75 G90 C91L36-T77 WeakPolarHBondContact CA-O 3.26Å; R37-T77 PolarHBondContact N-O 3.25Å; R37-T77 PolarHBondContact O-N 3.38Å; T75-T77 HydrophobicContact CG2-CG2 4.2Å; T77-G90 CarbonylContact C-O 3.5Å; T77-G90 VanDerWaalsContact CA-O 3.26Å; T77-G90 WeakPolarHBondContact CA-O 3.29Å; T77-C91 HydrophobicContact CG2-CB 4.43Å
78W96.3Very high93.4Very high1 Ų155 Ų550%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-148.3152173.759.3-85.6000110.5L27 V33 V80 L89 G90 L204 L206 Y229L27-W78 HydrophobicContact CD1-CG 4.17Å; L27-W78 HydrophobicContact CD2-CD2 3.82Å; L27-W78 HydrophobicContact CD2-CE3 4.34Å; L27-W78 HydrophobicContact CD2-CG 4.11Å; L27-W78 HydrophobicContact CD2-CH2 4.49Å; L27-W78 HydrophobicContact CD2-CZ2 4.01Å; V33-W78 HydrophobicContact CB-CE3 4.49Å; V33-W78 HydrophobicContact CG1-CB 4.32Å; V33-W78 HydrophobicContact CG1-CE3 3.95Å; V33-W78 HydrophobicContact CG2-CE3 3.84Å; V33-W78 HydrophobicContact CG2-CZ3 3.77Å; W78-V80 HydrophobicContact CE3-CG2 4.08Å; W78-V80 HydrophobicContact CZ3-CG2 3.52Å; W78-L89 HydrophobicContact CE3-CB 4.33Å; W78-L89 HydrophobicContact CH2-CB 4.29Å; W78-L89 HydrophobicContact CH2-CD2 3.49Å; W78-L89 VanDerWaalsContact CH2-CD2 3.49Å; W78-L89 HydrophobicContact CH2-CG 3.84Å; W78-L89 HydrophobicContact CZ2-CD2 4.46Å; W78-L89 HydrophobicContact CZ2-CG 4.4Å; W78-L89 HydrophobicContact CZ3-CB 4.07Å; W78-L89 HydrophobicContact CZ3-CD2 3.6Å; W78-L89 HydrophobicContact CZ3-CG 4.05Å; W78-L89 PolarHBondContact O-N 2.84Å; W78-G90 PolarHBondContact N-O 3.16Å; W78-G90 PolarHBondContact O-N 3.49Å; W78-L204 HydrophobicContact CZ2-CB 4.21Å; W78-L204 PolarHBondContact NE1-O 3.34Å; W78-L206 HydrophobicContact CH2-CD2 3.82Å; W78-L206 HydrophobicContact CZ2-CD2 3.77Å; W78-L206 HydrophobicContact CZ2-CG 4.3Å; W78-Y229 HydrophobicContact CH2-CD1 4.12Å; W78-Y229 HydrophobicContact CH2-CD2 4.16Å; W78-Y229 AromaticContact CH2-CG 3.83Å; W78-Y229 HydrophobicContact CH2-CG 3.83Å; W78-Y229 HydrophobicContact CZ3-CD1 4.21Å; W78-Y229 HydrophobicContact CZ3-CD2 4.47Å; W78-Y229 HydrophobicContact CZ3-CE1 4.38Å; W78-Y229 HydrophobicContact CZ3-CG 4.27Å
79S96.4Very high93.2Very high8 Ų855.5 Ų55.56%0.05631%0.305CS..EExtended strand (participates in β ladder)trans-119.9165.3-177-570000110.2V33 V34 C86 V87 P88V33-S79 WeakPolarHBondContact CA-O 3.49Å; V34-S79 PolarHBondContact N-O 2.97Å; V34-S79 CarbonylContact O-C 3.6Å; V34-S79 WeakPolarHBondContact O-CA 3.48Å; V34-S79 PolarHBondContact O-N 2.81Å; S79-C86 WeakPolarHBondContact CB-SG 3.44Å; S79-V87 CarbonylContact C-O 3.53Å; S79-V87 VanDerWaalsContact CA-O 3.25Å; S79-V87 WeakPolarHBondContact CA-O 3.48Å; S79-V87 WeakPolarHBondContact CB-O 3.45Å; S79-P88 WeakPolarHBondContact OG-CA 3.01Å
80V95.5Very high93.2Very high1 Ų153 Ų531%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-119.4136.6172.5176.70000109G32 V33 W78 L82 V87 L89 W225 Y229G32-V80 CarbonylContact O-C 3.59Å; G32-V80 WeakPolarHBondContact O-CA 3.35Å; V33-V80 HydrophobicContact CG2-CG2 4.5Å; W78-V80 HydrophobicContact CE3-CG2 4.08Å; W78-V80 HydrophobicContact CZ3-CG2 3.52Å; V80-L82 HydrophobicContact CG1-CD2 4.43Å; V80-L82 HydrophobicContact CG1-CG 4.21Å; V80-V87 PolarHBondContact N-O 2.98Å; V80-V87 PolarHBondContact O-N 2.83Å; V80-L89 HydrophobicContact CB-CD2 4.48Å; V80-L89 HydrophobicContact CG2-CB 4.12Å; V80-L89 HydrophobicContact CG2-CD2 3.5Å; V80-L89 HydrophobicContact CG2-CG 4.44Å; V80-W225 HydrophobicContact CB-CZ3 4.42Å; V80-W225 HydrophobicContact CG1-CZ3 4.33Å; V80-W225 HydrophobicContact CG2-CZ3 4.46Å; V80-Y229 HydrophobicContact CG1-CE2 4.45Å; V80-Y229 WeakPolarHBondContact CG1-OH 3.44Å; V80-Y229 HydrophobicContact CG2-CE1 4.31Å; V80-Y229 HydrophobicContact CG2-CE2 3.74Å; V80-Y229 WeakPolarHBondContact CG2-OH 3.49Å
81K94.2Very high93.3Very high113 Ų11351.4 Ų51.449%0.49129%0.285SS..EExtended strand (participates in β ladder)trans-87.9111.3169.2-172.3173.1178.6177.50109.2G32 V34 D83 E85G32-K81 PolarHBondContact O-N 3.48Å; V34-K81 HydrophobicContact CG1-CB 3.97Å; V34-K81 HydrophobicContact CG2-CB 4.02Å; K81-D83 WeakPolarHBondContact CE-O 3.49Å; K81-E85 WeakPolarHBondContact CA-O 3.39Å
82L87.7Confident93.4Very high83 Ų8351.3 Ų51.344%0.43528%0.284SS..EExtended strand (participates in β ladder)trans-109115.4169.3-72.6174.3000107.4V80 D84 E85 V87 W225V80-L82 HydrophobicContact CG1-CD2 4.43Å; V80-L82 HydrophobicContact CG1-CG 4.21Å; L82-D84 PolarHBondContact O-N 3.37Å; L82-D84 VanDerWaalsContact O-N 3.1Å; L82-E85 PolarHBondContact N-O 2.82Å; L82-E85 PolarHBondContact O-N 2.88Å; L82-V87 HydrophobicContact CD1-CG2 4.43Å; L82-W225 HydrophobicContact CD1-CH2 3.43Å; L82-W225 VanDerWaalsContact CD1-CH2 3.43Å; L82-W225 HydrophobicContact CD1-CZ2 4.07Å; L82-W225 HydrophobicContact CD1-CZ3 4.35Å; L82-W225 HydrophobicContact CG-CH2 4.16Å
83D85.7Confident93.4Very high153 Ų15350.8 Ų50.882%0.81828%0.28SS*.THydrogen-bonded Turntrans52-113.2-173.9-57.3-37.7000112K81K81-D83 WeakPolarHBondContact CE-O 3.49Å
84D83.1Confident93.5Very high157 Ų15750.7 Ų50.784%0.8428%0.28SS*.THydrogen-bonded Turntrans-101.71177.8-75.7-33000113.7L82L82-D84 PolarHBondContact O-N 3.37Å; L82-D84 VanDerWaalsContact O-N 3.1Å
85E90.8Very high93.6Very high145 Ų14551.1 Ų51.168%0.67828%0.282SS*.EExtended strand (participates in β ladder)trans-102.9142.3179.8-64.8-166.8164.800112.5K81 L82K81-E85 WeakPolarHBondContact CA-O 3.39Å; L82-E85 PolarHBondContact N-O 2.82Å; L82-E85 PolarHBondContact O-N 2.88Å
86C92.2Very high93.7Very high74 Ų7450.3 Ų50.350%0.528%0.278SS..EExtended strand (participates in β ladder)trans-104.1112.6172.5-169.50000108.7S79S79-C86 WeakPolarHBondContact CB-SG 3.44Å
87V93.5Very high93.6Very high44 Ų4450.4 Ų50.427%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-103.1116.9-177.9-177.50000109S79 V80 L82 L89 W225S79-V87 CarbonylContact C-O 3.53Å; S79-V87 VanDerWaalsContact CA-O 3.25Å; S79-V87 WeakPolarHBondContact CA-O 3.48Å; S79-V87 WeakPolarHBondContact CB-O 3.45Å; V80-V87 PolarHBondContact N-O 2.98Å; V80-V87 PolarHBondContact O-N 2.83Å; L82-V87 HydrophobicContact CD1-CG2 4.43Å; V87-L89 PolarHBondContact O-N 3.31Å; V87-W225 HydrophobicContact CG1-CZ2 4.3Å
88P94.5Very high93.4Very high109 Ų10951.3 Ų51.371%0.70830%0.298SS*.EExtended strand (participates in β ladder)trans-65.2120.6172.827.5-32.5000108.8S79S79-P88 WeakPolarHBondContact OG-CA 3.01Å
89L94.3Very high93.2Very high11 Ų1157.1 Ų57.16%0.05832%0.319CS..EExtended strand (participates in β ladder)trans-114.3-60.6-170.1-176.456.4000112.4W78 V80 V87 L206 P207 W225 Y229W78-L89 HydrophobicContact CE3-CB 4.33Å; W78-L89 HydrophobicContact CH2-CB 4.29Å; W78-L89 HydrophobicContact CH2-CD2 3.49Å; W78-L89 VanDerWaalsContact CH2-CD2 3.49Å; W78-L89 HydrophobicContact CH2-CG 3.84Å; W78-L89 HydrophobicContact CZ2-CD2 4.46Å; W78-L89 HydrophobicContact CZ2-CG 4.4Å; W78-L89 HydrophobicContact CZ3-CB 4.07Å; W78-L89 HydrophobicContact CZ3-CD2 3.6Å; W78-L89 HydrophobicContact CZ3-CG 4.05Å; W78-L89 PolarHBondContact O-N 2.84Å; V80-L89 HydrophobicContact CB-CD2 4.48Å; V80-L89 HydrophobicContact CG2-CB 4.12Å; V80-L89 HydrophobicContact CG2-CD2 3.5Å; V80-L89 HydrophobicContact CG2-CG 4.44Å; V87-L89 PolarHBondContact O-N 3.31Å; L89-L206 HydrophobicContact CD2-CD2 4.16Å; L89-L206 HydrophobicContact CG-CD2 4.11Å; L89-P207 HydrophobicContact CD1-CG 3.6Å; L89-P207 VanDerWaalsContact O-CD 3.32Å; L89-P207 WeakPolarHBondContact O-CD 3.46Å; L89-P207 WeakPolarHBondContact O-CG 3.22Å; L89-W225 HydrophobicContact CD1-CB 3.89Å; L89-W225 HydrophobicContact CD1-CD2 3.47Å; L89-W225 VanDerWaalsContact CD1-CD2 3.47Å; L89-W225 HydrophobicContact CD1-CE3 4.02Å; L89-W225 HydrophobicContact CD1-CG 3.43Å; L89-W225 VanDerWaalsContact CD1-CG 3.43Å; L89-W225 HydrophobicContact CD1-CZ2 4.34Å; L89-W225 HydrophobicContact CD2-CB 4.39Å; L89-W225 HydrophobicContact CD2-CD2 3.76Å; L89-W225 HydrophobicContact CD2-CE3 3.38Å; L89-W225 HydrophobicContact CD2-CG 4.24Å; L89-W225 HydrophobicContact CD2-CH2 4.38Å; L89-W225 HydrophobicContact CD2-CZ3 3.75Å; L89-W225 HydrophobicContact CG-CD2 4.32Å; L89-W225 HydrophobicContact CG-CE3 4.39Å; L89-Y229 HydrophobicContact CD2-CD2 3.66Å; L89-Y229 HydrophobicContact CD2-CE2 3.77Å
90G95Very high93Very high4 Ų456.9 Ų56.94%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-103137.5-175.500000113.1T77 W78 G205T77-G90 CarbonylContact C-O 3.5Å; T77-G90 VanDerWaalsContact CA-O 3.26Å; T77-G90 WeakPolarHBondContact CA-O 3.29Å; W78-G90 PolarHBondContact N-O 3.16Å; W78-G90 PolarHBondContact O-N 3.49Å; G90-G205 CarbonylContact C-O 3.52Å; G90-G205 VanDerWaalsContact CA-O 3.25Å; G90-G205 WeakPolarHBondContact CA-O 3.24Å
91C95.8Very high92.6Very high54 Ų5459.6 Ų59.637%0.36534%0.336SS..EExtended strand (participates in β ladder)trans-137.9115.9174.5-174.40000109.3T77 G205T77-C91 HydrophobicContact CG2-CB 4.43Å; C91-G205 PolarHBondContact N-O 2.85Å; C91-G205 WeakPolarHBondContact O-CA 3.34Å
92M95.6Very high92.5Very high1 Ų156.4 Ų56.41%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-106.8122.9167.9-60.1176.9-172.100107.9I23 F74 T75 L76 M200 I201 L204I23-M92 HydrophobicContact CG2-CE 4.07Å; F74-M92 HydrophobicContact CD1-CB 4.36Å; F74-M92 HydrophobicContact CE1-CB 3.62Å; F74-M92 HydrophobicContact CE1-SD 4.16Å; F74-M92 HydrophobicContact CZ-SD 4.36Å; T75-M92 CarbonylContact C-O 3.44Å; T75-M92 VanDerWaalsContact CA-O 3.3Å; T75-M92 WeakPolarHBondContact CA-O 3.33Å; L76-M92 HydrophobicContact CB-CB 4.32Å; L76-M92 HydrophobicContact CB-SD 4.43Å; L76-M92 HydrophobicContact CD2-CE 4.22Å; L76-M92 HydrophobicContact CD2-CG 4.43Å; L76-M92 HydrophobicContact CD2-SD 3.96Å; L76-M92 PolarHBondContact N-O 3.4Å; L76-M92 PolarHBondContact O-N 2.69Å; M92-M200 HydrophobicContact CB-CE 4.05Å; M92-M200 HydrophobicContact CB-CG 3.97Å; M92-M200 HydrophobicContact CB-SD 3.76Å; M92-M200 HydrophobicContact CG-CG 3.98Å; M92-M200 HydrophobicContact CG-SD 4.42Å; M92-I201 HydrophobicContact SD-CG1 4.43Å; M92-L204 HydrophobicContact CE-CB 4.4Å
93M95.3Very high92.5Very high37 Ų3753.8 Ų53.818%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-138.7136.1-176.6-172.5-177.5-58.100111.2F74F74-M93 CarbonylContact O-C 3.56Å; F74-M93 WeakPolarHBondContact O-CA 3.2Å
94I96.8Very high92.2Very high0 Ų049 Ų490%029%0.287CS..EExtended strand (participates in β ladder)trans-128.5123.8163.2-53.4-65.1000106.9F67 G73 F74 F193 Y196 Y197 M200F67-I94 HydrophobicContact CE1-CB 4.22Å; F67-I94 HydrophobicContact CE1-CG2 3.82Å; F67-I94 HydrophobicContact CZ-CB 4.26Å; F67-I94 HydrophobicContact CZ-CG1 4.31Å; F67-I94 HydrophobicContact CZ-CG2 4.33Å; G73-I94 CarbonylContact C-O 3.53Å; G73-I94 WeakPolarHBondContact CA-O 3.32Å; F74-I94 HydrophobicContact CB-CB 4.16Å; F74-I94 HydrophobicContact CB-CG1 4.28Å; F74-I94 PolarHBondContact N-O 2.83Å; F74-I94 PolarHBondContact O-N 2.78Å; I94-F193 HydrophobicContact CD1-CE2 4Å; I94-F193 HydrophobicContact CG1-CE2 4.37Å; I94-F193 HydrophobicContact CG1-CZ 4.49Å; I94-F193 HydrophobicContact CG2-CE2 4.13Å; I94-F193 HydrophobicContact CG2-CZ 4.42Å; I94-Y196 HydrophobicContact CD1-CD1 4.24Å; I94-Y196 HydrophobicContact CD1-CE1 3.51Å; I94-Y197 HydrophobicContact CG1-CD2 4.41Å; I94-M200 HydrophobicContact CD1-CE 4.44Å; I94-M200 HydrophobicContact CD1-SD 3.98Å; I94-M200 HydrophobicContact CG1-CE 4.29Å; I94-M200 HydrophobicContact CG1-SD 4.26Å
95N96.5Very high91.6Very high10 Ų1048.4 Ų48.45%0.05328%0.279CS..  trans-62.4140.5175.8-77.2-31.2000110.7Y68 R99 E149 L150Y68-N95 VanDerWaalsContact CE1-O 3.23Å; Y68-N95 WeakPolarHBondContact CE1-O 3.42Å; Y68-N95 PolarHBondContact OH-O 2.99Å; N95-R99 HydrophobicContact CB-CB 4.19Å; N95-E149 PolarHBondContact ND2-O 3.32Å; N95-E149 VanDerWaalsContact ND2-O 3.12Å; N95-L150 WeakPolarHBondContact CB-O 3.2Å; N95-L150 PolarHBondContact N-O 3.41Å; N95-L150 PolarHBondContact ND2-O 2.82Å
96G95.9Very high90.4Very high5 Ų547.2 Ų47.25%0.05228%0.284CS..  trans-66.9160.7167.400000111.2D72 G98 R99 L100D72-G96 WeakPolarHBondContact OD1-CA 3.4Å; G96-G98 PolarHBondContact O-N 3.49Å; G96-G98 VanDerWaalsContact O-N 3.15Å; G96-R99 CarbonylContact O-C 3.51Å; G96-R99 WeakPolarHBondContact O-CA 3.34Å; G96-R99 PolarHBondContact O-N 3.17Å; G96-L100 PolarHBondContact O-N 2.83Å; G96-L100 VanDerWaalsContact O-N 3.13Å
97V95.1Very high89Confident2 Ų248.9 Ų48.91%0.01229%0.292CS..G310 helixtrans-57-34.7-175.366.90000112.6A44 T48 L49 W52 D72 R99 L100A44-V97 HydrophobicContact CB-CG1 4.27Å; T48-V97 HydrophobicContact CG2-CG1 3.65Å; L49-V97 HydrophobicContact CD2-CB 3.95Å; L49-V97 HydrophobicContact CD2-CG1 4.05Å; L49-V97 HydrophobicContact CD2-CG2 3.78Å; W52-V97 HydrophobicContact CB-CG2 3.81Å; W52-V97 HydrophobicContact CD2-CG2 4.34Å; W52-V97 HydrophobicContact CG-CG2 3.7Å; D72-V97 PolarHBondContact OD1-N 2.96Å; V97-R99 PolarHBondContact O-N 3.06Å; V97-L100 WeakPolarHBondContact O-CB 3.5Å; V97-L100 PolarHBondContact O-N 3.24Å
98G91.6Very high87.7Confident66 Ų6649.8 Ų49.868%0.6830%0.301SS*.G310 helixtrans-66.3-23.9176.800000114G96G96-G98 PolarHBondContact O-N 3.49Å; G96-G98 VanDerWaalsContact O-N 3.15Å
99R92.3Very high86.4Confident122 Ų12251.1 Ų51.146%0.4631%0.306SS..G310 helixtrans-102.81.9177-65.1-167.6-65.2168.64113.2N95 G96 V97 C101N95-R99 HydrophobicContact CB-CB 4.19Å; G96-R99 CarbonylContact O-C 3.51Å; G96-R99 WeakPolarHBondContact O-CA 3.34Å; G96-R99 PolarHBondContact O-N 3.17Å; V97-R99 PolarHBondContact O-N 3.06Å; R99-C101 PolarHBondContact O-N 3.39Å
100L92.6Very high85.4Confident3 Ų359.4 Ų59.42%0.01634%0.342CS..  trans-76.272.8174.2-169.360.9000109.2W52 L60 Y68 G96 V97 Y148 E149 L150W52-L100 HydrophobicContact CH2-CD2 3.95Å; W52-L100 HydrophobicContact CZ2-CB 4.4Å; W52-L100 HydrophobicContact CZ2-CD2 3.42Å; W52-L100 VanDerWaalsContact CZ2-CD2 3.42Å; W52-L100 HydrophobicContact CZ2-CG 3.69Å; W52-L100 PolarHBondContact NE1-O 2.79Å; L60-L100 HydrophobicContact CD2-CD2 4.11Å; Y68-L100 HydrophobicContact CE2-CD2 4.37Å; G96-L100 PolarHBondContact O-N 2.83Å; G96-L100 VanDerWaalsContact O-N 3.13Å; V97-L100 WeakPolarHBondContact O-CB 3.5Å; V97-L100 PolarHBondContact O-N 3.24Å; L100-Y148 HydrophobicContact CG-CG 4.48Å; L100-E149 WeakPolarHBondContact CD1-O 3.47Å; L100-L150 HydrophobicContact CD1-CD2 3.7Å; L100-L150 HydrophobicContact CD1-CG 4.23Å
101C86.9Confident84.3Confident58 Ų5861.5 Ų61.539%0.39236%0.356SS..  trans-87.3147.7-174.4-63.50000111.4R99 L103 Y148 E149R99-C101 PolarHBondContact O-N 3.39Å; C101-L103 PolarHBondContact O-N 3.25Å; C101-Y148 WeakPolarHBondContact O-CA 3.33Å; C101-E149 PolarHBondContact O-N 3.1Å; C101-E149 VanDerWaalsContact O-N 3.12Å
102P90.9Very high83.5Confident46 Ų4665.5 Ų65.530%0.29937%0.373SS..BIsolated β-bridgetrans-64.5136173.327.3-33.4000110.1I147 Y148P102-I147 CarbonylContact C-O 3.54Å; P102-I147 VanDerWaalsContact CA-O 3.27Å; P102-I147 WeakPolarHBondContact CA-O 3.3Å; P102-Y148 HydrophobicContact CB-CD1 4.21Å; P102-Y148 HydrophobicContact CB-CE1 4.05Å
103L87.8Confident82.5Confident28 Ų2871 Ų7115%0.14741%0.409CS..SBendtrans-66.4-43.7174.7-176.969.6000110.6C101 Q105 F141 I147 K158 L180 W186C101-L103 PolarHBondContact O-N 3.25Å; L103-Q105 PolarHBondContact O-N 2.98Å; L103-F141 HydrophobicContact CD2-CE1 4.23Å; L103-I147 HydrophobicContact CB-CB 4.06Å; L103-I147 HydrophobicContact CB-CG2 3.68Å; L103-I147 HydrophobicContact CD2-CG2 3.8Å; L103-I147 HydrophobicContact CG-CG2 4.39Å; L103-I147 PolarHBondContact N-O 3.48Å; L103-K158 HydrophobicContact CD1-CD 3.73Å; L103-L180 HydrophobicContact CD2-CD2 3.55Å; L103-W186 HydrophobicContact CD2-CH2 4.09Å; L103-W186 HydrophobicContact CD2-CZ2 4.48Å
104L80.6Confident81.6Confident52 Ų5277.3 Ų77.327%0.27244%0.443SS..SBendtrans-85.394.1174.8-57.4173.2000108.2L118 F141 I147L104-L118 HydrophobicContact CD2-CB 4.05Å; L104-L118 HydrophobicContact CD2-CD1 4Å; L104-F141 WeakPolarHBondContact CD1-O 3.08Å; L104-F141 HydrophobicContact CD2-CB 4.13Å; L104-F141 HydrophobicContact CD2-CD1 4.27Å; L104-F141 WeakPolarHBondContact CD2-O 3.25Å; L104-I147 HydrophobicContact CD1-CD1 4.39Å
105Q69.8Low80.9Confident145 Ų14579.2 Ų79.268%0.67846%0.459SS*.PPolyproline II helixtrans-78.4144.4173.5-66.3-170.6-1.400110L103 T107L103-Q105 PolarHBondContact O-N 2.98Å; Q105-T107 PolarHBondContact O-N 3.33Å
106P65.8Low80.2Confident120 Ų12084.5 Ų84.578%0.77949%0.494SS*.PPolyproline II helixtrans-52.6134.5171.5-2332.2000110.1S108P106-S108 PolarHBondContact O-N 3.09Å; P106-S108 VanDerWaalsContact O-N 3.13Å
107T62.8Low79.7Confident110 Ų11087 Ų8768%0.67551%0.511SS*.PPolyproline II helixtrans-48.4121.3177.7-48.40000109.5Q105 S111Q105-T107 PolarHBondContact O-N 3.33Å; T107-S111 VanDerWaalsContact CG2-OG 3.29Å; T107-S111 WeakPolarHBondContact CG2-OG 3.1Å
108S66.5Low79.2Confident63 Ų6389.7 Ų89.744%0.44153%0.525SS..PPolyproline II helixtrans-54.3143-179.5172.50000110P106 F110 S111P106-S108 PolarHBondContact O-N 3.09Å; P106-S108 VanDerWaalsContact O-N 3.13Å; S108-F110 PolarHBondContact O-N 2.89Å; S108-F110 WeakPolarHBondContact OG-CD2 3.35Å; S108-F110 PolarHBondContact OG-N 3.34Å; S108-S111 PolarHBondContact N-OG 2.97Å; S108-S111 VanDerWaalsContact O-CB 3.24Å; S108-S111 WeakPolarHBondContact O-CB 3.26Å; S108-S111 PolarHBondContact O-N 3.33Å; S108-S111 PolarHBondContact O-OG 3.48Å
109V65.7Low78.9Confident137 Ų13788.2 Ų88.283%0.8351%0.507SS*.THydrogen-bonded Turntrans-58.6-16.1175.2-64.60000113.2
110F73.8Confident78.5Confident185 Ų18587.7 Ų87.781%0.81151%0.513SS*.THydrogen-bonded Turntrans-90.1-2.6175.4-57.5-70.9000113.6S108S108-F110 PolarHBondContact O-N 2.89Å; S108-F110 WeakPolarHBondContact OG-CD2 3.35Å; S108-F110 PolarHBondContact OG-N 3.34Å
111S72.2Confident78Confident47 Ų4792.3 Ų92.333%0.32954%0.537SS..SBendtrans-75.6142.6179.2-41.90000109.9T107 S108T107-S111 VanDerWaalsContact CG2-OG 3.29Å; T107-S111 WeakPolarHBondContact CG2-OG 3.1Å; S108-S111 PolarHBondContact N-OG 2.97Å; S108-S111 VanDerWaalsContact O-CB 3.24Å; S108-S111 WeakPolarHBondContact O-CB 3.26Å; S108-S111 PolarHBondContact O-N 3.33Å; S108-S111 PolarHBondContact O-OG 3.48Å
112L78.9Confident77.6Confident138 Ų13891.2 Ų91.272%0.72353%0.527SS*.PPolyproline II helixtrans-63.4149.4173.3-65.8171.1000110.1N114 A115L112-N114 PolarHBondContact O-N 3.11Å; L112-A115 WeakPolarHBondContact O-CB 3.48Å; L112-A115 PolarHBondContact O-N 3.34Å; L112-A115 VanDerWaalsContact O-N 3.08Å
113P75.6Confident76.2Confident118 Ų118100 Ų10077%0.76655%0.554SS**THydrogen-bonded Turntrans-52130.1165.1-22.132.3000109.6A115P113-A115 VanDerWaalsContact C-N 3.31Å; P113-A115 PolarHBondContact O-N 2.9Å
114N76.3Confident74.7Confident168 Ų168105.8 Ų105.890%0.89858%0.581SS**THydrogen-bonded Turntrans60.929.7-176.9-52.5-19.9000115.1L112L112-N114 PolarHBondContact O-N 3.11Å
115A81.8Confident73.4Confident40 Ų40112 Ų11233%0.33161%0.608SS.*  trans-58.5136.1168.900000110.2L112 P113L112-A115 WeakPolarHBondContact O-CB 3.48Å; L112-A115 PolarHBondContact O-N 3.34Å; L112-A115 VanDerWaalsContact O-N 3.08Å; P113-A115 VanDerWaalsContact C-N 3.31Å; P113-A115 PolarHBondContact O-N 2.9Å
116P82.2Confident71.9Confident121 Ų121109.7 Ų109.779%0.78661%0.609SS**  trans-60.6143.2177.226.6-34.3000110.3D120P116-D120 WeakPolarHBondContact CA-OD2 3.4Å
117S85.3Confident71.1Confident58 Ų58109.4 Ų109.441%0.40661%0.609SS.*  trans-135.8170.1-171.771.60000110.4A119 D120S117-A119 PolarHBondContact O-N 2.77Å; S117-A119 PolarHBondContact OG-N 2.84Å; S117-D120 PolarHBondContact N-OD2 3Å; S117-D120 WeakPolarHBondContact O-CB 3.03Å; S117-D120 PolarHBondContact O-N 2.84Å; S117-D120 VanDerWaalsContact O-N 3.12Å; S117-D120 PolarHBondContact OG-OD2 2.74Å
118L84.4Confident70.4Confident58 Ų58109.1 Ų109.130%0.30461%0.612SS.*G310 helixtrans-62.6-26.8175.4-67.7176.6000112.4L104 D120 L121 F141 L184L104-L118 HydrophobicContact CD2-CB 4.05Å; L104-L118 HydrophobicContact CD2-CD1 4Å; L118-D120 PolarHBondContact O-N 3.32Å; L118-L121 HydrophobicContact CD2-CD1 3.89Å; L118-L121 WeakPolarHBondContact O-CB 3.44Å; L118-L121 PolarHBondContact O-N 3.25Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L118-F141 HydrophobicContact CB-CB 3.84Å; L118-F141 HydrophobicContact CB-CD1 4.08Å; L118-F141 HydrophobicContact CB-CG 4.04Å; L118-F141 HydrophobicContact CD1-CD1 4.28Å; L118-F141 VanDerWaalsContact O-CB 3.32Å; L118-F141 WeakPolarHBondContact O-CB 3.47Å; L118-L184 HydrophobicContact CD2-CD1 3.85Å
119A84.9Confident69.4Low36 Ų36115.4 Ų115.430%0.29863%0.634SS.*G310 helixtrans-63.2-23.8176.300000112.6S117 L121 D122 D142S117-A119 PolarHBondContact O-N 2.77Å; S117-A119 PolarHBondContact OG-N 2.84Å; A119-L121 PolarHBondContact O-N 2.84Å; A119-D122 PolarHBondContact O-N 3.13Å; A119-D142 HydrophobicContact CB-CB 4.1Å
120D83.9Confident68.3Low111 Ų111113.4 Ų113.459%0.59463%0.626SS**G310 helixtrans-75-9177.7-58.5-66.3000112.9P116 S117 L118P116-D120 WeakPolarHBondContact CA-OD2 3.4Å; S117-D120 PolarHBondContact N-OD2 3Å; S117-D120 WeakPolarHBondContact O-CB 3.03Å; S117-D120 PolarHBondContact O-N 2.84Å; S117-D120 VanDerWaalsContact O-N 3.12Å; S117-D120 PolarHBondContact OG-OD2 2.74Å; L118-D120 PolarHBondContact O-N 3.32Å
121L82.2Confident67Low99 Ų99109 Ų10952%0.51863%0.633SS.*G310 helixtrans-85-19.5175.3-60175.2000112.8L118 A119 W123 L184L118-L121 HydrophobicContact CD2-CD1 3.89Å; L118-L121 WeakPolarHBondContact O-CB 3.44Å; L118-L121 PolarHBondContact O-N 3.25Å; L118-L121 VanDerWaalsContact O-N 3.1Å; A119-L121 PolarHBondContact O-N 2.84Å; L121-W123 PolarHBondContact O-N 3.49Å; L121-L184 HydrophobicContact CD1-CB 4.49Å; L121-L184 HydrophobicContact CD1-CD1 3.33Å
122D77.4Confident66Low35 Ų35113.8 Ų113.819%0.18765%0.654CS.*  trans-71.4100.3176.7-72.6-44.1000109.3A119 H140 F141A119-D122 PolarHBondContact O-N 3.13Å; D122-H140 IonicContact OD1-ND1 3.31Å; D122-H140 PolarHBondContact OD1-ND1 2.9Å; D122-H140 WeakPolarHBondContact OD2-CB 3.49Å; D122-H140 IonicContact OD2-ND1 3.16Å; D122-F141 PolarHBondContact OD1-N 3.32Å; D122-F141 WeakPolarHBondContact OD2-CA 3.27Å; D122-F141 PolarHBondContact OD2-N 3.29Å
123W61.9Low64.6Low230 Ų230115.6 Ų115.687%0.87166%0.659SS**  trans-78.9121.7169.3-171.8-99000108.8L121 E125L121-W123 PolarHBondContact O-N 3.49Å; W123-E125 PolarHBondContact O-N 2.88Å
124E57.6Low63.3Low151 Ų151115.7 Ų115.771%0.70666%0.66SS**  trans-66.1103169.3-73-157.1169.200108.6S126E124-S126 VanDerWaalsContact C-N 3.31Å; E124-S126 PolarHBondContact O-N 3.12Å
125E52.3Low62.2Low181 Ų181111.6 Ų111.685%0.84665%0.649SS**  trans-63.299.7165-168.3160.3-141.900107W123 S127W123-E125 PolarHBondContact O-N 2.88Å; E125-S127 PolarHBondContact O-N 3.33Å
126S38.2Very low61.3Low98 Ų98112.7 Ų112.769%0.68565%0.653SS**  trans-57.3101.1177.156.90000108.5E124 S128E124-S126 VanDerWaalsContact C-N 3.31Å; E124-S126 PolarHBondContact O-N 3.12Å; S126-S128 PolarHBondContact O-N 3.22Å; S126-S128 VanDerWaalsContact O-N 3.16Å
127S48.7Very low61.2Low113 Ų113109.9 Ų109.979%0.7964%0.636SS**SBendtrans-19106.9169.446.10000114.9E125E125-S127 PolarHBondContact O-N 3.33Å
128S48.8Very low61.4Low105 Ų105112.7 Ų112.773%0.73464%0.643SS**  trans176.4142.6139.536.60000111.2S126S126-S128 PolarHBondContact O-N 3.22Å; S126-S128 VanDerWaalsContact O-N 3.16Å
129E45.1Very low61.7Low194 Ų194110 Ų11091%0.90763%0.629SS**  trans84.5114.1177.7-48.1-170.6170.400113.6
130S43.3Very low61.9Low95 Ų95110.9 Ų110.966%0.66463%0.627SS**  cis-165152.133.350.80000109.3L132S130-L132 PolarHBondContact O-N 2.82Å
131G46.3Very low62.2Low92 Ų92106 Ų10695%0.94860%0.6SS**  trans-73.253.1-173.400000116
132L51.9Low62.4Low149 Ų149103.3 Ų103.378%0.7859%0.586SS**SBendtrans-106.1144.4164.4-81.8126.4000109.1S130S130-L132 PolarHBondContact O-N 2.82Å
133E48.8Very low62.8Low176 Ų176105.4 Ų105.482%0.82261%0.608SS**  trans-25.7136.3-178.7-69-73.6135.400114.3A135E133-A135 PolarHBondContact O-N 2.9Å
134P47.7Very low64.1Low120 Ų12098.4 Ų98.478%0.77958%0.582SS**  trans-65104.6-173.827.8-31.8000109.1
135A54.2Low65.8Low82 Ų8291.5 Ų91.568%0.67855%0.55SS**PPolyproline II helixtrans-51.7143.2161.300000107.8E133 S137E133-A135 PolarHBondContact O-N 2.9Å; A135-S137 PolarHBondContact O-N 3.38Å
136P61.2Low67.7Low62 Ų6284.5 Ų84.540%0.40352%0.516SS..PPolyproline II helixtrans-53.6117.4176-20.230000108.2E138 W178 F188P136-E138 PolarHBondContact O-N 2.86Å; P136-W178 HydrophobicContact CB-CH2 3.9Å; P136-W178 HydrophobicContact CB-CZ2 3.82Å; P136-F188 HydrophobicContact CB-CD2 4.45Å; P136-F188 HydrophobicContact CG-CD2 4.48Å; P136-F188 HydrophobicContact CG-CG 4.39Å
137S81.6Confident70.5Confident63 Ų6380 Ų8044%0.44148%0.484SS..PPolyproline II helixtrans-57.9130.7178.868.50000108.2A135 K164A135-S137 PolarHBondContact O-N 3.38Å; S137-K164 VanDerWaalsContact O-CD 3.25Å; S137-K164 WeakPolarHBondContact O-CD 3.08Å; S137-K164 PolarHBondContact O-NZ 2.79Å; S137-K164 VanDerWaalsContact O-NZ 3.07Å
138E88.4Confident72.7Confident117 Ų11775 Ų7555%0.54745%0.448SS..PPolyproline II helixtrans-62.6146.4-177.2-68.5-176.4-170.100110.6P136 W178 W186P136-E138 PolarHBondContact O-N 2.86Å; E138-W178 HydrophobicContact CG-CZ3 4.34Å; E138-W186 HydrophobicContact CB-CB 4.35Å; E138-W186 HydrophobicContact CG-CB 4.38Å
139P91.4Very high75Confident2 Ų271.9 Ų71.91%0.01342%0.422CS..PPolyproline II helixtrans-62.1138.1171.7-21.133.1000111.7V162 K164 W178 W186P139-V162 HydrophobicContact CB-CG1 3.69Å; P139-V162 HydrophobicContact CG-CB 4.41Å; P139-V162 HydrophobicContact CG-CG1 3.72Å; P139-V162 HydrophobicContact CG-CG2 4.25Å; P139-K164 HydrophobicContact CG-CD 4.43Å; P139-W178 HydrophobicContact CG-CD2 3.66Å; P139-W178 HydrophobicContact CG-CE3 4.04Å; P139-W178 HydrophobicContact CG-CG 3.89Å; P139-W178 HydrophobicContact CG-CZ2 4.36Å; P139-W186 HydrophobicContact CB-CD2 4Å; P139-W186 HydrophobicContact CB-CE3 4.49Å; P139-W186 HydrophobicContact CB-CG 4.3Å; P139-W186 HydrophobicContact CB-CZ2 4.15Å; P139-W186 HydrophobicContact CG-CD2 3.88Å; P139-W186 HydrophobicContact CG-CE3 4.1Å; P139-W186 HydrophobicContact CG-CG 4.07Å; P139-W186 PolarHBondContact O-NE1 2.9Å
140H89.6Confident77.4Confident53 Ų5362.7 Ų62.725%0.24538%0.379CS..PPolyproline II helixtrans-84.6157.6167.8-65.5-67.3000112.6D122 D142 R144 S145 I147D122-H140 IonicContact OD1-ND1 3.31Å; D122-H140 PolarHBondContact OD1-ND1 2.9Å; D122-H140 WeakPolarHBondContact OD2-CB 3.49Å; D122-H140 IonicContact OD2-ND1 3.16Å; H140-D142 VanDerWaalsContact C-N 3.27Å; H140-D142 WeakPolarHBondContact CB-OD1 3.22Å; H140-R144 PolarHBondContact CE1-NH2 2.99Å; H140-R144 VanDerWaalsContact CG-CZ 3.4Å; H140-R144 VanDerWaalsContact CG-NH2 3.27Å; H140-R144 PolarHBondContact ND1-NH2 2.91Å; H140-R144 VanDerWaalsContact ND1-NH2 3.16Å; H140-R144 PolarHBondContact NE2-NH1 3.01Å; H140-S145 PolarHBondContact N-OG 3.49Å; H140-S145 WeakPolarHBondContact O-CB 3.13Å; H140-S145 PolarHBondContact O-OG 3.43Å; H140-I147 WeakPolarHBondContact O-CD1 3.39Å
141F90.1Very high79.9Confident9 Ų958.4 Ų58.44%0.03935%0.349CS..SBendtrans-90.620170.5-65.1-74.5000113.3L103 L104 L118 D122 L180 L184 W186L103-F141 HydrophobicContact CD2-CE1 4.23Å; L104-F141 WeakPolarHBondContact CD1-O 3.08Å; L104-F141 HydrophobicContact CD2-CB 4.13Å; L104-F141 HydrophobicContact CD2-CD1 4.27Å; L104-F141 WeakPolarHBondContact CD2-O 3.25Å; L118-F141 HydrophobicContact CB-CB 3.84Å; L118-F141 HydrophobicContact CB-CD1 4.08Å; L118-F141 HydrophobicContact CB-CG 4.04Å; L118-F141 HydrophobicContact CD1-CD1 4.28Å; L118-F141 VanDerWaalsContact O-CB 3.32Å; L118-F141 WeakPolarHBondContact O-CB 3.47Å; D122-F141 PolarHBondContact OD1-N 3.32Å; D122-F141 WeakPolarHBondContact OD2-CA 3.27Å; D122-F141 PolarHBondContact OD2-N 3.29Å; F141-L180 HydrophobicContact CE1-CD1 4.11Å; F141-L180 HydrophobicContact CE1-CD2 4.13Å; F141-L180 HydrophobicContact CZ-CD1 3.7Å; F141-L184 HydrophobicContact CZ-CB 4.18Å; F141-W186 AromaticContact CD1-CZ2 3.95Å; F141-W186 HydrophobicContact CD1-CZ2 3.95Å; F141-W186 AromaticContact CE1-CE2 3.77Å; F141-W186 HydrophobicContact CE1-CH2 4.24Å; F141-W186 AromaticContact CE1-CZ2 3.3Å; F141-W186 HydrophobicContact CE1-CZ2 3.3Å; F141-W186 AromaticContact CE1-NE1 3.86Å; F141-W186 HydrophobicContact CE2-CZ2 4.47Å; F141-W186 AromaticContact CE2-NE1 3.4Å; F141-W186 AromaticContact CZ-CE2 3.54Å; F141-W186 AromaticContact CZ-CZ2 3.61Å; F141-W186 HydrophobicContact CZ-CZ2 3.61Å; F141-W186 AromaticContact CZ-NE1 3.27Å; F141-W186 VanDerWaalsContact CZ-NE1 3.27Å
142D86.4Confident82.2Confident42 Ų4256.1 Ų56.123%0.22532%0.318CS..SBendtrans-118.1-169.9179.369.321.2000112.5A119 H140 R144 S145A119-D142 HydrophobicContact CB-CB 4.1Å; H140-D142 VanDerWaalsContact C-N 3.27Å; H140-D142 WeakPolarHBondContact CB-OD1 3.22Å; D142-R144 PolarHBondContact O-N 2.75Å; D142-R144 WeakPolarHBondContact OD1-CA 3.42Å; D142-R144 WeakPolarHBondContact OD1-CB 3.43Å; D142-R144 VanDerWaalsContact OD1-CG 3.26Å; D142-R144 WeakPolarHBondContact OD1-CG 3.33Å; D142-R144 PolarHBondContact OD1-N 2.79Å; D142-R144 IonicContact OD1-NE 3.18Å; D142-R144 PolarHBondContact OD1-NE 2.83Å; D142-R144 VanDerWaalsContact OD1-NE 3.13Å; D142-R144 IonicContact OD2-CZ 2.72Å; D142-R144 IonicContact OD2-NE 3.49Å; D142-R144 PolarHBondContact OD2-NE 3.18Å; D142-R144 IonicContact OD2-NH2 3.94Å; D142-R144 PolarHBondContact OD2-NH2 2.8Å; D142-S145 PolarHBondContact O-N 3.48Å; D142-S145 VanDerWaalsContact O-N 3.1Å; D142-S145 VanDerWaalsContact O-O 3.07Å
143A85.8Confident84.2Confident79 Ų7949.7 Ų49.765%0.65329%0.286SS*.THydrogen-bonded Turntrans-63.5-11.9-177.900000114.7S145A143-S145 PolarHBondContact O-N 2.87Å
144R89.1Confident86.1Confident83 Ų8344.8 Ų44.831%0.31328%0.282SS..THydrogen-bonded Turntrans-72.3-15.6174.8-59178.1-74.5-179.4-10.6112H140 D142 K164 N165 C166H140-R144 PolarHBondContact CE1-NH2 2.99Å; H140-R144 VanDerWaalsContact CG-CZ 3.4Å; H140-R144 VanDerWaalsContact CG-NH2 3.27Å; H140-R144 PolarHBondContact ND1-NH2 2.91Å; H140-R144 VanDerWaalsContact ND1-NH2 3.16Å; H140-R144 PolarHBondContact NE2-NH1 3.01Å; D142-R144 PolarHBondContact O-N 2.75Å; D142-R144 WeakPolarHBondContact OD1-CA 3.42Å; D142-R144 WeakPolarHBondContact OD1-CB 3.43Å; D142-R144 VanDerWaalsContact OD1-CG 3.26Å; D142-R144 WeakPolarHBondContact OD1-CG 3.33Å; D142-R144 PolarHBondContact OD1-N 2.79Å; D142-R144 IonicContact OD1-NE 3.18Å; D142-R144 PolarHBondContact OD1-NE 2.83Å; D142-R144 VanDerWaalsContact OD1-NE 3.13Å; D142-R144 IonicContact OD2-CZ 2.72Å; D142-R144 IonicContact OD2-NE 3.49Å; D142-R144 PolarHBondContact OD2-NE 3.18Å; D142-R144 IonicContact OD2-NH2 3.94Å; D142-R144 PolarHBondContact OD2-NH2 2.8Å; R144-K164 CarbonylContact O-C 3.58Å; R144-N165 PolarHBondContact O-N 3.13Å; R144-C166 PolarHBondContact O-N 3.26Å
145S92.4Very high88.1Confident6 Ų641.6 Ų41.64%0.04227%0.271CS..  trans-127141.6178.4-68.80000111.6H140 D142 A143 Y163H140-S145 PolarHBondContact N-OG 3.49Å; H140-S145 WeakPolarHBondContact O-CB 3.13Å; H140-S145 PolarHBondContact O-OG 3.43Å; D142-S145 PolarHBondContact O-N 3.48Å; D142-S145 VanDerWaalsContact O-N 3.1Å; D142-S145 VanDerWaalsContact O-O 3.07Å; A143-S145 PolarHBondContact O-N 2.87Å; S145-Y163 CarbonylContact C-O 3.54Å; S145-Y163 VanDerWaalsContact CA-O 3.26Å; S145-Y163 WeakPolarHBondContact CA-O 3.42Å
146R93.5Very high89.9Confident34 Ų3439.9 Ų39.913%0.12825%0.25CS..EExtended strand (participates in β ladder)trans-115.5118.6167.3-61.7179.2-167.9157.15.8108.6T57 Y148 Y163 C166 T167 V170T57-R146 VanDerWaalsContact C-NH1 3.26Å; T57-R146 PolarHBondContact O-NH1 2.76Å; T57-R146 PolarHBondContact OG1-NH1 3.12Å; T57-R146 PolarHBondContact OG1-NH2 3.34Å; R146-Y148 HydrophobicContact CB-CE2 3.99Å; R146-Y163 HydrophobicContact CB-CD2 4.43Å; R146-Y163 PolarHBondContact N-O 3.2Å; R146-Y163 PolarHBondContact O-N 2.71Å; R146-C166 HydrophobicContact CG-CB 4.28Å; R146-T167 PolarHBondContact NH2-O 2.66Å; R146-V170 PolarHBondContact NH1-O 3.27Å; R146-V170 PolarHBondContact NH2-O 3.07Å
147I95.4Very high91.5Very high4 Ų437.3 Ų37.32%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-123.4127.5-166.8-60.1161.1000108.5P102 L103 L104 H140 C160 L161 V162 W186P102-I147 CarbonylContact C-O 3.54Å; P102-I147 VanDerWaalsContact CA-O 3.27Å; P102-I147 WeakPolarHBondContact CA-O 3.3Å; L103-I147 HydrophobicContact CB-CB 4.06Å; L103-I147 HydrophobicContact CB-CG2 3.68Å; L103-I147 HydrophobicContact CD2-CG2 3.8Å; L103-I147 HydrophobicContact CG-CG2 4.39Å; L103-I147 PolarHBondContact N-O 3.48Å; L104-I147 HydrophobicContact CD1-CD1 4.39Å; H140-I147 WeakPolarHBondContact O-CD1 3.39Å; I147-C160 HydrophobicContact CG2-CB 3.65Å; I147-L161 WeakPolarHBondContact CA-O 3.24Å; I147-V162 HydrophobicContact CG1-CG1 4.17Å; I147-V162 HydrophobicContact CG1-CG2 4.28Å; I147-V162 HydrophobicContact CG2-CG2 4.33Å; I147-W186 HydrophobicContact CD1-CH2 3.79Å; I147-W186 HydrophobicContact CD1-CZ2 3.58Å; I147-W186 HydrophobicContact CG1-CH2 4.34Å; I147-W186 HydrophobicContact CG2-CH2 3.87Å
148Y96.1Very high92.2Very high9 Ų937.6 Ų37.64%0.03523%0.229CC..EExtended strand (participates in β ladder)trans-126.4135.4179.1-52.9-83.2000111.6W52 N56 L100 C101 P102 R146 L150 C160 L161 Y163W52-Y148 HydrophobicContact CH2-CD1 4.23Å; W52-Y148 AromaticContact CH2-CD2 3.87Å; W52-Y148 HydrophobicContact CH2-CD2 3.87Å; W52-Y148 HydrophobicContact CH2-CE1 4.27Å; W52-Y148 AromaticContact CH2-CE2 3.89Å; W52-Y148 HydrophobicContact CH2-CE2 3.89Å; W52-Y148 HydrophobicContact CH2-CG 4.05Å; W52-Y148 AromaticContact CZ2-CD1 3.55Å; W52-Y148 HydrophobicContact CZ2-CD1 3.55Å; W52-Y148 AromaticContact CZ2-CD2 3.98Å; W52-Y148 HydrophobicContact CZ2-CD2 3.98Å; W52-Y148 AromaticContact CZ2-CE1 3.8Å; W52-Y148 HydrophobicContact CZ2-CE1 3.8Å; W52-Y148 HydrophobicContact CZ2-CE2 4.19Å; W52-Y148 AromaticContact CZ2-CG 3.66Å; W52-Y148 HydrophobicContact CZ2-CG 3.66Å; N56-Y148 HydrophobicContact CB-CE1 4.04Å; N56-Y148 WeakPolarHBondContact CB-OH 3.4Å; N56-Y148 PolarHBondContact O-OH 3.22Å; N56-Y148 WeakPolarHBondContact OD1-CE1 3.32Å; L100-Y148 HydrophobicContact CG-CG 4.48Å; C101-Y148 WeakPolarHBondContact O-CA 3.33Å; P102-Y148 HydrophobicContact CB-CD1 4.21Å; P102-Y148 HydrophobicContact CB-CE1 4.05Å; R146-Y148 HydrophobicContact CB-CE2 3.99Å; Y148-L150 PolarHBondContact O-N 2.79Å; Y148-C160 CarbonylContact O-C 3.59Å; Y148-C160 WeakPolarHBondContact O-CA 3.27Å; Y148-L161 PolarHBondContact N-O 2.8Å; Y148-L161 PolarHBondContact O-N 2.88Å; Y148-Y163 HydrophobicContact CD2-CD2 4.18Å; Y148-Y163 AromaticContact CD2-CE2 3.96Å; Y148-Y163 HydrophobicContact CD2-CE2 3.96Å; Y148-Y163 AromaticContact CE2-CD2 3.85Å; Y148-Y163 HydrophobicContact CE2-CD2 3.85Å; Y148-Y163 AromaticContact CE2-CE2 3.78Å; Y148-Y163 HydrophobicContact CE2-CE2 3.78Å
149E96.1Very high92.6Very high39 Ų3932 Ų3218%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-79.5112.2-176.3-172.1-177.8126.900112.2N95 L100 C101 S152 K158N95-E149 PolarHBondContact ND2-O 3.32Å; N95-E149 VanDerWaalsContact ND2-O 3.12Å; L100-E149 WeakPolarHBondContact CD1-O 3.47Å; C101-E149 PolarHBondContact O-N 3.1Å; C101-E149 VanDerWaalsContact O-N 3.12Å; E149-S152 WeakPolarHBondContact OE1-CB 3.34Å; E149-K158 HydrophobicContact CG-CB 4.48Å; E149-K158 HydrophobicContact CG-CD 4.33Å; E149-K158 WeakPolarHBondContact OE2-CD 3.45Å; E149-K158 VanDerWaalsContact OE2-CE 3.28Å; E149-K158 WeakPolarHBondContact OE2-CE 3.49Å; E149-K158 IonicContact OE2-NZ 3.69Å; E149-K158 PolarHBondContact OE2-NZ 3.33Å
150L96.6Very high92.9Very high0 Ų031.9 Ų31.90%020%0.202CC..EExtended strand (participates in β ladder)trans-84.5-38174.5-71170.8000112.1L64 N95 L100 Y148 V159 L161 I177L64-L150 HydrophobicContact CD2-CD2 4.14Å; N95-L150 WeakPolarHBondContact CB-O 3.2Å; N95-L150 PolarHBondContact N-O 3.41Å; N95-L150 PolarHBondContact ND2-O 2.82Å; L100-L150 HydrophobicContact CD1-CD2 3.7Å; L100-L150 HydrophobicContact CD1-CG 4.23Å; Y148-L150 PolarHBondContact O-N 2.79Å; L150-V159 HydrophobicContact CB-CG1 4.42Å; L150-V159 WeakPolarHBondContact CB-O 3.26Å; L150-V159 HydrophobicContact CD1-CG1 4.38Å; L150-V159 PolarHBondContact N-O 3.08Å; L150-L161 HydrophobicContact CD1-CB 3.98Å; L150-L161 HydrophobicContact CD2-CB 4.45Å; L150-L161 HydrophobicContact CG-CB 4.07Å; L150-I177 HydrophobicContact CD1-CD1 3.64Å; L150-I177 HydrophobicContact CD1-CG2 4.45Å
151D95.6Very high93.3Very high6 Ų629.4 Ų29.43%0.03219%0.19CC..EExtended strand (participates in β ladder)trans-148.6141.3179.3-176.110.3000110C153 K158 V159D151-C153 PolarHBondContact OD1-N 2.9Å; D151-C153 PolarHBondContact OD2-SG 3.35Å; D151-K158 CarbonylContact O-C 3.29Å; D151-K158 VanDerWaalsContact O-CA 3.31Å; D151-K158 WeakPolarHBondContact O-CA 3.38Å; D151-V159 HydrophobicContact CB-CB 4.28Å; D151-V159 PolarHBondContact N-O 3.36Å; D151-V159 PolarHBondContact O-N 3Å
152S93.4Very high93.6Very high43 Ų4329 Ų2930%0.30119%0.188SC..  trans-88.6-4.217564.30000113.1E149 G154 G155 G157E149-S152 WeakPolarHBondContact OE1-CB 3.34Å; S152-G154 PolarHBondContact O-N 3.48Å; S152-G155 PolarHBondContact O-N 3.44Å; S152-G157 CarbonylContact C-O 3.53Å; S152-G157 VanDerWaalsContact C-O 3.29Å
153C93.9Very high94.1Very high15 Ų1527 Ų2710%0.10118%0.178CC..G310 helixtrans48.934.5174.9-540000113.9D151 G155 N156 Q210D151-C153 PolarHBondContact OD1-N 2.9Å; D151-C153 PolarHBondContact OD2-SG 3.35Å; C153-G155 PolarHBondContact O-N 3.04Å; C153-N156 PolarHBondContact O-N 3.46Å; C153-Q210 PolarHBondContact SG-NE2 3.06Å; C153-Q210 VanDerWaalsContact SG-NE2 3.37Å
154G88.9Confident94.4Very high73 Ų7325 Ų2575%0.75315%0.154SC*.G310 helixtrans63.821.7-177.400000114.7S152S152-G154 PolarHBondContact O-N 3.48Å
155G90.5Very high94.3Very high53 Ų5327 Ų2755%0.54617%0.172SC..G310 helixtrans87.40.8-17800000114.9S152 C153 G157S152-G155 PolarHBondContact O-N 3.44Å; C153-G155 PolarHBondContact O-N 3.04Å; G155-G157 VanDerWaalsContact C-N 3.26Å; G155-G157 PolarHBondContact O-N 3.39Å
156N92.1Very high94.2Very high45 Ų4527.3 Ų27.324%0.24117%0.174CC..THydrogen-bonded Turntrans-83.2-1.8178.2-68.2-43.1000113.6C153 E208 Y211C153-N156 PolarHBondContact O-N 3.46Å; N156-E208 HydrophobicContact CB-CG 4.4Å; N156-Y211 HydrophobicContact CB-CE2 4.22Å; N156-Y211 WeakPolarHBondContact O-CE2 3.23Å; N156-Y211 VanDerWaalsContact O-CZ 3.32Å; N156-Y211 PolarHBondContact O-OH 3.3Å
157G94.6Very high93.9Very high8 Ų829.3 Ų29.38%0.08219%0.189CC..  trans157.1-164.2-177.200000108.7S152 G155 L180S152-G157 CarbonylContact C-O 3.53Å; S152-G157 VanDerWaalsContact C-O 3.29Å; G155-G157 VanDerWaalsContact C-N 3.26Å; G155-G157 PolarHBondContact O-N 3.39Å; G157-L180 CarbonylContact C-O 3.56Å; G157-L180 WeakPolarHBondContact CA-O 3.22Å
158K96.2Very high93.4Very high69 Ų6934.7 Ų34.730%0.323%0.225SC..EExtended strand (participates in β ladder)trans-141.5137.8176-59.6-177.9175.5-153.90110L103 E149 D151 F179 L180L103-K158 HydrophobicContact CD1-CD 3.73Å; E149-K158 HydrophobicContact CG-CB 4.48Å; E149-K158 HydrophobicContact CG-CD 4.33Å; E149-K158 WeakPolarHBondContact OE2-CD 3.45Å; E149-K158 VanDerWaalsContact OE2-CE 3.28Å; E149-K158 WeakPolarHBondContact OE2-CE 3.49Å; E149-K158 IonicContact OE2-NZ 3.69Å; E149-K158 PolarHBondContact OE2-NZ 3.33Å; D151-K158 CarbonylContact O-C 3.29Å; D151-K158 VanDerWaalsContact O-CA 3.31Å; D151-K158 WeakPolarHBondContact O-CA 3.38Å; K158-F179 CarbonylContact O-C 3.5Å; K158-F179 WeakPolarHBondContact O-CA 3.42Å; K158-F179 WeakPolarHBondContact O-CD2 3.08Å; K158-L180 HydrophobicContact CB-CB 4.38Å; K158-L180 PolarHBondContact N-O 3.07Å; K158-L180 PolarHBondContact O-N 3.42Å
159V97.6Very high92.8Very high0 Ų038 Ų380%026%0.262CS..EExtended strand (participates in β ladder)trans-93.4128.9163.4176.10000108.3L150 D151 I177 W178 F179 L189 Y196 Q210L150-V159 HydrophobicContact CB-CG1 4.42Å; L150-V159 WeakPolarHBondContact CB-O 3.26Å; L150-V159 HydrophobicContact CD1-CG1 4.38Å; L150-V159 PolarHBondContact N-O 3.08Å; D151-V159 HydrophobicContact CB-CB 4.28Å; D151-V159 PolarHBondContact N-O 3.36Å; D151-V159 PolarHBondContact O-N 3Å; V159-I177 HydrophobicContact CG1-CG2 3.47Å; V159-I177 VanDerWaalsContact CG1-CG2 3.47Å; V159-W178 WeakPolarHBondContact CA-O 3.4Å; V159-F179 HydrophobicContact CG2-CD2 3.98Å; V159-L189 HydrophobicContact CG1-CD1 4.28Å; V159-L189 HydrophobicContact CG2-CD1 3.95Å; V159-Y196 HydrophobicContact CB-CE2 4.28Å; V159-Y196 HydrophobicContact CG1-CD2 4.24Å; V159-Y196 HydrophobicContact CG1-CE1 4.01Å; V159-Y196 HydrophobicContact CG1-CE2 3.68Å; V159-Y196 HydrophobicContact CG2-CE2 3.88Å; V159-Y196 WeakPolarHBondContact CG2-OH 3.46Å; V159-Q210 HydrophobicContact CG2-CG 4.08Å
160C97.6Very high92.5Very high0 Ų040 Ų400%028%0.277CS..EExtended strand (participates in β ladder)trans-123.5140.1-173.1-60.80000111.9I147 Y148 V162 I177 W178 W186I147-C160 HydrophobicContact CG2-CB 3.65Å; Y148-C160 CarbonylContact O-C 3.59Å; Y148-C160 WeakPolarHBondContact O-CA 3.27Å; C160-V162 HydrophobicContact CB-CG2 3.98Å; C160-I177 WeakPolarHBondContact O-CA 3.2Å; C160-W178 PolarHBondContact N-O 2.9Å; C160-W178 PolarHBondContact O-N 3.03Å; C160-W186 HydrophobicContact CB-CZ3 4.26Å
161L97.6Very high92.3Very high0 Ų043.6 Ų43.60%030%0.298CS..EExtended strand (participates in β ladder)trans-82118.8160.9-177.371.3000108.1L60 P61 L64 I147 Y148 L150 Y163 I177L60-L161 HydrophobicContact CD2-CD2 4.21Å; P61-L161 HydrophobicContact CG-CD1 4.12Å; L64-L161 HydrophobicContact CD2-CD1 4.32Å; L64-L161 HydrophobicContact CD2-CD2 3.83Å; I147-L161 WeakPolarHBondContact CA-O 3.24Å; Y148-L161 PolarHBondContact N-O 2.8Å; Y148-L161 PolarHBondContact O-N 2.88Å; L150-L161 HydrophobicContact CD1-CB 3.98Å; L150-L161 HydrophobicContact CD2-CB 4.45Å; L150-L161 HydrophobicContact CG-CB 4.07Å; L161-Y163 HydrophobicContact CD2-CE2 3.81Å; L161-Y163 HydrophobicContact CG-CE2 3.98Å; L161-I177 HydrophobicContact CD1-CD1 3.68Å
162V96.9Very high92.2Very high0 Ų043.9 Ų43.90%030%0.302CS..EExtended strand (participates in β ladder)trans-121.2126.5-172.5-177.20000111P139 I147 C160 K164 S175 E176 W178 W186P139-V162 HydrophobicContact CB-CG1 3.69Å; P139-V162 HydrophobicContact CG-CB 4.41Å; P139-V162 HydrophobicContact CG-CG1 3.72Å; P139-V162 HydrophobicContact CG-CG2 4.25Å; I147-V162 HydrophobicContact CG1-CG1 4.17Å; I147-V162 HydrophobicContact CG1-CG2 4.28Å; I147-V162 HydrophobicContact CG2-CG2 4.33Å; C160-V162 HydrophobicContact CB-CG2 3.98Å; V162-K164 HydrophobicContact CG1-CG 3.85Å; V162-S175 CarbonylContact O-C 3.57Å; V162-S175 WeakPolarHBondContact O-CA 3.43Å; V162-E176 PolarHBondContact N-O 3.19Å; V162-E176 PolarHBondContact O-N 3.07Å; V162-W178 HydrophobicContact CG2-CB 3.9Å; V162-W178 HydrophobicContact CG2-CG 4.04Å; V162-W186 HydrophobicContact CG2-CZ3 4.38Å
163Y95.3Very high92.1Very high0 Ų047.6 Ų47.60%031%0.314CS..EExtended strand (participates in β ladder)trans-103.6114.5166.1-59-99.4000108.7C58 I59 S145 R146 Y148 L161 C166 A172 H174C58-Y163 HydrophobicContact CB-CD1 4.33Å; C58-Y163 HydrophobicContact CB-CD2 4.3Å; C58-Y163 HydrophobicContact CB-CE1 4.02Å; C58-Y163 HydrophobicContact CB-CE2 4.02Å; C58-Y163 HydrophobicContact CB-CG 4.45Å; I59-Y163 VanDerWaalsContact O-CE1 3.26Å; I59-Y163 WeakPolarHBondContact O-CE1 3.24Å; I59-Y163 PolarHBondContact O-OH 2.83Å; S145-Y163 CarbonylContact C-O 3.54Å; S145-Y163 VanDerWaalsContact CA-O 3.26Å; S145-Y163 WeakPolarHBondContact CA-O 3.42Å; R146-Y163 HydrophobicContact CB-CD2 4.43Å; R146-Y163 PolarHBondContact N-O 3.2Å; R146-Y163 PolarHBondContact O-N 2.71Å; Y148-Y163 HydrophobicContact CD2-CD2 4.18Å; Y148-Y163 AromaticContact CD2-CE2 3.96Å; Y148-Y163 HydrophobicContact CD2-CE2 3.96Å; Y148-Y163 AromaticContact CE2-CD2 3.85Å; Y148-Y163 HydrophobicContact CE2-CD2 3.85Å; Y148-Y163 AromaticContact CE2-CE2 3.78Å; Y148-Y163 HydrophobicContact CE2-CE2 3.78Å; L161-Y163 HydrophobicContact CD2-CE2 3.81Å; L161-Y163 HydrophobicContact CG-CE2 3.98Å; Y163-C166 PolarHBondContact O-SG 2.96Å; Y163-A172 HydrophobicContact CD1-CB 3.65Å; Y163-A172 HydrophobicContact CE1-CB 4.47Å; Y163-A172 HydrophobicContact CG-CB 3.93Å; Y163-H174 WeakPolarHBondContact CD1-O 3.26Å
164K92Very high92Very high37 Ų3754.8 Ų54.816%0.16135%0.346CS..  trans-92165.3179.7-56.8-173.9-55.4-1620111.2S137 P139 R144 V162 C166 E176 W178S137-K164 VanDerWaalsContact O-CD 3.25Å; S137-K164 WeakPolarHBondContact O-CD 3.08Å; S137-K164 PolarHBondContact O-NZ 2.79Å; S137-K164 VanDerWaalsContact O-NZ 3.07Å; P139-K164 HydrophobicContact CG-CD 4.43Å; R144-K164 CarbonylContact O-C 3.58Å; V162-K164 HydrophobicContact CG1-CG 3.85Å; K164-C166 PolarHBondContact O-N 3.07Å; K164-E176 WeakPolarHBondContact CE-OE2 3.19Å; K164-E176 VanDerWaalsContact NZ-CD 3.34Å; K164-E176 IonicContact NZ-OE1 2.75Å; K164-E176 PolarHBondContact NZ-OE1 3.29Å; K164-E176 IonicContact NZ-OE2 2.72Å; K164-E176 PolarHBondContact NZ-OE2 2.82Å; K164-W178 HydrophobicContact CD-CZ2 4.44Å
165N88.2Confident92.3Very high127 Ų12752.2 Ų52.268%0.67932%0.316SS*.SBendtrans53.535.7175.5-56.4-39.2000113.4R144R144-N165 PolarHBondContact O-N 3.13Å
166C89.4Confident92.7Very high12 Ų1252 Ų528%0.08130%0.301CS..  trans-69.9135.6178-68.70000110.5R144 R146 Y163 K164R144-C166 PolarHBondContact O-N 3.26Å; R146-C166 HydrophobicContact CG-CB 4.28Å; Y163-C166 PolarHBondContact O-SG 2.96Å; K164-C166 PolarHBondContact O-N 3.07Å
167T88.1Confident92.9Very high75 Ų7549.9 Ų49.946%0.4629%0.29SS..  trans-109.1140.4170.245.70000110.3R146 G169 V170R146-T167 PolarHBondContact NH2-O 2.66Å; T167-G169 PolarHBondContact O-N 3.22Å; T167-V170 PolarHBondContact O-N 3.12Å; T167-V170 VanDerWaalsContact O-N 3.14Å; T167-V170 WeakPolarHBondContact OG1-CB 3.14Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.21Å
168P84.3Confident93.1Very high117 Ų11749.8 Ų49.876%0.7629%0.287SS*.THydrogen-bonded Turntrans-56.6133177.6-26.334.9000111.8V170P168-V170 PolarHBondContact O-N 2.85Å
169G83.1Confident93.1Very high79 Ų7946.5 Ų46.581%0.81427%0.273SS*.THydrogen-bonded Turntrans79.2-8.2-179.200000115.4T167T167-G169 PolarHBondContact O-N 3.22Å
170V91.1Very high93.1Very high82 Ų8246.8 Ų46.850%0.49727%0.274SS..SBendtrans-96.1139.7173.9-1780000110.1R146 T167 P168 A172R146-V170 PolarHBondContact NH1-O 3.27Å; R146-V170 PolarHBondContact NH2-O 3.07Å; T167-V170 PolarHBondContact O-N 3.12Å; T167-V170 VanDerWaalsContact O-N 3.14Å; T167-V170 WeakPolarHBondContact OG1-CB 3.14Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.21Å; P168-V170 PolarHBondContact O-N 2.85Å; V170-A172 PolarHBondContact O-N 3.13Å
171V92.5Very high92.9Very high74 Ų7447 Ų4745%0.44828%0.275SS..PPolyproline II helixtrans-76.9121.1178179.70000109.8T57 I59T57-V171 WeakPolarHBondContact O-CA 3.44Å; I59-V171 HydrophobicContact CD1-CG1 4Å; I59-V171 HydrophobicContact CG1-CG1 3.6Å
172A93.4Very high92.7Very high13 Ų1355 Ų5511%0.10731%0.306CS..BIsolated β-bridgetrans-79.5132.8178.300000110.8T57 C58 I59 Y163 V170T57-A172 PolarHBondContact O-N 3.49Å; T57-A172 VanDerWaalsContact O-N 3.11Å; C58-A172 CarbonylContact C-O 3.57Å; C58-A172 VanDerWaalsContact CA-O 3.3Å; C58-A172 WeakPolarHBondContact CA-O 3.34Å; C58-A172 HydrophobicContact CB-CB 4.07Å; I59-A172 PolarHBondContact N-O 3.1Å; Y163-A172 HydrophobicContact CD1-CB 3.65Å; Y163-A172 HydrophobicContact CE1-CB 4.47Å; Y163-A172 HydrophobicContact CG-CB 3.93Å; V170-A172 PolarHBondContact O-N 3.13Å
173Q91.2Very high92.4Very high120 Ų12058.6 Ų58.656%0.56133%0.33SS*.  trans-121.5-28.7-174.5-56.5-162.6-1200114.2I59I59-Q173 HydrophobicContact CD1-CG 3.82Å; I59-Q173 HydrophobicContact CG1-CG 4.31Å
174H92.3Very high92.3Very high166 Ų16661.5 Ų61.577%0.76935%0.346SS*.  trans-97.7118.2-178.7-63.6-60.3000110.1Y163Y163-H174 WeakPolarHBondContact CD1-O 3.26Å
175S95.5Very high92.2Very high19 Ų1962 Ų6213%0.13335%0.353CS..  trans-120.9147.8178.761.90000111.8P61 V162P61-S175 WeakPolarHBondContact CB-OG 3.37Å; P61-S175 VanDerWaalsContact CG-OG 3.27Å; P61-S175 WeakPolarHBondContact CG-OG 3.33Å; V162-S175 CarbonylContact O-C 3.57Å; V162-S175 WeakPolarHBondContact O-CA 3.43Å
176E96.9Very high92.5Very high49 Ų4956.4 Ų56.423%0.22932%0.322CS..EExtended strand (participates in β ladder)trans-125.6165.9173.7-65.4169.9173.500109.9V162 K164 W178 F188V162-E176 PolarHBondContact N-O 3.19Å; V162-E176 PolarHBondContact O-N 3.07Å; K164-E176 WeakPolarHBondContact CE-OE2 3.19Å; K164-E176 VanDerWaalsContact NZ-CD 3.34Å; K164-E176 IonicContact NZ-OE1 2.75Å; K164-E176 PolarHBondContact NZ-OE1 3.29Å; K164-E176 IonicContact NZ-OE2 2.72Å; K164-E176 PolarHBondContact NZ-OE2 2.82Å; E176-W178 PolarHBondContact OE2-NE1 2.78Å; E176-F188 HydrophobicContact CB-CE2 4.35Å; E176-F188 HydrophobicContact CG-CE2 4.43Å
177I97.8Very high92.8Very high1 Ų156.8 Ų56.81%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-108.7120.3176.5-48.2-62.3000109.6L150 V159 C160 L161 L189 T190 Y196L150-I177 HydrophobicContact CD1-CD1 3.64Å; L150-I177 HydrophobicContact CD1-CG2 4.45Å; V159-I177 HydrophobicContact CG1-CG2 3.47Å; V159-I177 VanDerWaalsContact CG1-CG2 3.47Å; C160-I177 WeakPolarHBondContact O-CA 3.2Å; L161-I177 HydrophobicContact CD1-CD1 3.68Å; I177-L189 HydrophobicContact CG2-CD1 4.47Å; I177-L189 PolarHBondContact O-N 3.12Å; I177-L189 VanDerWaalsContact O-N 3.1Å; I177-T190 PolarHBondContact N-O 2.88Å; I177-T190 PolarHBondContact O-N 2.67Å; I177-Y196 HydrophobicContact CG2-CD1 4.27Å; I177-Y196 HydrophobicContact CG2-CD2 3.9Å; I177-Y196 HydrophobicContact CG2-CG 3.77Å
178W97.7Very high93.2Very high6 Ų656.9 Ų56.92%0.02332%0.317CS..EExtended strand (participates in β ladder)trans-123.9147.2-177.8-70.575.3000110.8P136 E138 P139 V159 C160 V162 K164 E176 W186 H187 F188P136-W178 HydrophobicContact CB-CH2 3.9Å; P136-W178 HydrophobicContact CB-CZ2 3.82Å; E138-W178 HydrophobicContact CG-CZ3 4.34Å; P139-W178 HydrophobicContact CG-CD2 3.66Å; P139-W178 HydrophobicContact CG-CE3 4.04Å; P139-W178 HydrophobicContact CG-CG 3.89Å; P139-W178 HydrophobicContact CG-CZ2 4.36Å; V159-W178 WeakPolarHBondContact CA-O 3.4Å; C160-W178 PolarHBondContact N-O 2.9Å; C160-W178 PolarHBondContact O-N 3.03Å; V162-W178 HydrophobicContact CG2-CB 3.9Å; V162-W178 HydrophobicContact CG2-CG 4.04Å; K164-W178 HydrophobicContact CD-CZ2 4.44Å; E176-W178 PolarHBondContact OE2-NE1 2.78Å; W178-W186 HydrophobicContact CB-CE3 3.92Å; W178-W186 HydrophobicContact CB-CZ3 4.18Å; W178-W186 HydrophobicContact CE3-CB 3.82Å; W178-W186 HydrophobicContact CZ3-CB 4.01Å; W178-H187 VanDerWaalsContact CE3-C 3.45Å; W178-F188 HydrophobicContact CD2-CB 4.32Å; W178-F188 HydrophobicContact CD2-CD2 4.25Å; W178-F188 AromaticContact CE2-CD2 3.69Å; W178-F188 HydrophobicContact CE3-CB 4.01Å; W178-F188 VanDerWaalsContact CE3-N 3.33Å; W178-F188 HydrophobicContact CH2-CB 3.86Å; W178-F188 HydrophobicContact CH2-CD2 4.3Å; W178-F188 HydrophobicContact CZ2-CB 4.14Å; W178-F188 AromaticContact CZ2-CD2 3.71Å; W178-F188 HydrophobicContact CZ2-CD2 3.71Å; W178-F188 HydrophobicContact CZ2-CG 4.39Å; W178-F188 HydrophobicContact CZ3-CB 3.79Å; W178-F188 AromaticContact NE1-CD2 3.91Å
179F97.6Very high93.7Very high0 Ų052 Ų520%028%0.284CS..EExtended strand (participates in β ladder)trans-98.3125.8168.7-179.3-118.9000109.5K158 V159 D181 H187 L189 Q210 Y211 T214K158-F179 CarbonylContact O-C 3.5Å; K158-F179 WeakPolarHBondContact O-CA 3.42Å; K158-F179 WeakPolarHBondContact O-CD2 3.08Å; V159-F179 HydrophobicContact CG2-CD2 3.98Å; F179-D181 HydrophobicContact CE1-CB 4Å; F179-H187 HydrophobicContact CB-CB 4.32Å; F179-H187 HydrophobicContact CD1-CB 4.47Å; F179-H187 PolarHBondContact N-O 2.89Å; F179-H187 PolarHBondContact O-N 3.17Å; F179-L189 HydrophobicContact CB-CD1 3.9Å; F179-L189 HydrophobicContact CB-CD2 4.07Å; F179-L189 HydrophobicContact CB-CG 3.85Å; F179-Q210 HydrophobicContact CD1-CB 4.14Å; F179-Q210 HydrophobicContact CD2-CB 3.77Å; F179-Q210 HydrophobicContact CD2-CG 4.06Å; F179-Q210 HydrophobicContact CE1-CB 4.16Å; F179-Q210 HydrophobicContact CE2-CB 3.79Å; F179-Q210 HydrophobicContact CE2-CG 4.17Å; F179-Q210 HydrophobicContact CG-CB 3.96Å; F179-Q210 HydrophobicContact CZ-CB 3.99Å; F179-Y211 HydrophobicContact CE1-CD1 4.39Å; F179-Y211 HydrophobicContact CE1-CD2 4.03Å; F179-Y211 HydrophobicContact CE1-CE1 4.25Å; F179-Y211 AromaticContact CE1-CE2 3.87Å; F179-Y211 HydrophobicContact CE1-CE2 3.87Å; F179-Y211 HydrophobicContact CE1-CG 4.29Å; F179-Y211 AromaticContact CE1-CZ 3.99Å; F179-Y211 AromaticContact CZ-CD2 3.95Å; F179-Y211 HydrophobicContact CZ-CD2 3.95Å; F179-Y211 AromaticContact CZ-CE2 3.56Å; F179-Y211 HydrophobicContact CZ-CE2 3.56Å; F179-Y211 AromaticContact CZ-CZ 3.98Å; F179-T214 HydrophobicContact CD1-CG2 3.97Å; F179-T214 HydrophobicContact CE1-CG2 4.15Å
180L96.2Very high94.4Very high6 Ų649 Ų493%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-101.3115.3171.4-178.663000108.6L103 F141 G157 K158 L184 W186L103-L180 HydrophobicContact CD2-CD2 3.55Å; F141-L180 HydrophobicContact CE1-CD1 4.11Å; F141-L180 HydrophobicContact CE1-CD2 4.13Å; F141-L180 HydrophobicContact CZ-CD1 3.7Å; G157-L180 CarbonylContact C-O 3.56Å; G157-L180 WeakPolarHBondContact CA-O 3.22Å; K158-L180 HydrophobicContact CB-CB 4.38Å; K158-L180 PolarHBondContact N-O 3.07Å; K158-L180 PolarHBondContact O-N 3.42Å; L180-L184 HydrophobicContact CD1-CB 4.36Å; L180-L184 HydrophobicContact CD1-CD2 4.44Å; L180-L184 HydrophobicContact CD2-CD2 4.26Å; L180-L184 HydrophobicContact CG-CD2 4.47Å; L180-W186 HydrophobicContact CB-CE3 3.99Å; L180-W186 HydrophobicContact CB-CH2 4.1Å; L180-W186 HydrophobicContact CB-CZ3 3.63Å; L180-W186 HydrophobicContact CD1-CD2 3.95Å; L180-W186 HydrophobicContact CD1-CE3 4.01Å; L180-W186 HydrophobicContact CD1-CH2 4.1Å; L180-W186 HydrophobicContact CD1-CZ2 4.04Å; L180-W186 HydrophobicContact CD1-CZ3 4.1Å; L180-W186 HydrophobicContact CD2-CH2 4.01Å; L180-W186 HydrophobicContact CD2-CZ2 4.39Å; L180-W186 HydrophobicContact CD2-CZ3 4.41Å; L180-W186 HydrophobicContact CG-CH2 4.31Å; L180-W186 HydrophobicContact CG-CZ3 4.27Å
181D94.8Very high94.6Very high3 Ų348 Ų482%0.01625%0.251CS..  trans-80.7178.7178.572.623.1000112.6F179 S183 L184 C185 H187 Y211F179-D181 HydrophobicContact CE1-CB 4Å; D181-S183 VanDerWaalsContact C-N 3.25Å; D181-S183 PolarHBondContact O-N 2.91Å; D181-S183 VanDerWaalsContact OD1-C 3.26Å; D181-S183 VanDerWaalsContact OD1-CA 3.26Å; D181-S183 WeakPolarHBondContact OD1-CA 3.36Å; D181-S183 WeakPolarHBondContact OD1-CB 3.32Å; D181-S183 PolarHBondContact OD1-N 3.24Å; D181-S183 PolarHBondContact OD1-OG 2.85Å; D181-S183 PolarHBondContact OD2-OG 2.64Å; D181-S183 VanDerWaalsContact OD2-OG 3.08Å; D181-L184 PolarHBondContact O-N 3.37Å; D181-L184 VanDerWaalsContact O-N 3.11Å; D181-L184 PolarHBondContact OD1-N 2.93Å; D181-C185 PolarHBondContact N-O 3.43Å; D181-C185 VanDerWaalsContact N-O 3.13Å; D181-C185 PolarHBondContact OD1-N 3.45Å; D181-C185 WeakPolarHBondContact OD2-CB 3.45Å; D181-H187 IonicContact OD2-CD2 3.36Å; D181-H187 IonicContact OD2-CE1 3.2Å; D181-H187 IonicContact OD2-NE2 2.71Å; D181-H187 PolarHBondContact OD2-NE2 2.98Å; D181-Y211 HydrophobicContact CB-CE1 4.18Å
182R92.5Very high94.8Very high170 Ų17047.8 Ų47.864%0.64225%0.249SC*.THydrogen-bonded Turntrans-71.6-17.8179.5-65.4-172.3-64-178.1-1.9114.1
183S91.6Very high95Very high74 Ų7447.4 Ų47.452%0.51725%0.246SC..THydrogen-bonded Turntrans-84.93170.933.80000112.8D181 C185D181-S183 VanDerWaalsContact C-N 3.25Å; D181-S183 PolarHBondContact O-N 2.91Å; D181-S183 VanDerWaalsContact OD1-C 3.26Å; D181-S183 VanDerWaalsContact OD1-CA 3.26Å; D181-S183 WeakPolarHBondContact OD1-CA 3.36Å; D181-S183 WeakPolarHBondContact OD1-CB 3.32Å; D181-S183 PolarHBondContact OD1-N 3.24Å; D181-S183 PolarHBondContact OD1-OG 2.85Å; D181-S183 PolarHBondContact OD2-OG 2.64Å; D181-S183 VanDerWaalsContact OD2-OG 3.08Å; S183-C185 VanDerWaalsContact C-N 3.25Å; S183-C185 PolarHBondContact O-N 2.85Å
184L91.3Very high95.2Very high62 Ų6245.1 Ų45.133%0.32524%0.24SC..  trans65.326.4-177.3-52.8172.1000113.5L118 L121 F141 L180 D181L118-L184 HydrophobicContact CD2-CD1 3.85Å; L121-L184 HydrophobicContact CD1-CB 4.49Å; L121-L184 HydrophobicContact CD1-CD1 3.33Å; F141-L184 HydrophobicContact CZ-CB 4.18Å; L180-L184 HydrophobicContact CD1-CB 4.36Å; L180-L184 HydrophobicContact CD1-CD2 4.44Å; L180-L184 HydrophobicContact CD2-CD2 4.26Å; L180-L184 HydrophobicContact CG-CD2 4.47Å; D181-L184 PolarHBondContact O-N 3.37Å; D181-L184 VanDerWaalsContact O-N 3.11Å; D181-L184 PolarHBondContact OD1-N 2.93Å
185C91.8Very high95.4Very high46 Ų4639 Ų3931%0.31122%0.218SC..  trans-88.4142.3171.7-57.20000110.6D181 S183 H187D181-C185 PolarHBondContact N-O 3.43Å; D181-C185 VanDerWaalsContact N-O 3.13Å; D181-C185 PolarHBondContact OD1-N 3.45Å; D181-C185 WeakPolarHBondContact OD2-CB 3.45Å; S183-C185 VanDerWaalsContact C-N 3.25Å; S183-C185 PolarHBondContact O-N 2.85Å; C185-H187 PolarHBondContact O-CD2 2.63Å
186W94.3Very high95.5Very high11 Ų1138.1 Ų38.14%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-90.6130.3178.2-69.2112.6000111.5L103 E138 P139 F141 I147 C160 V162 W178 L180L103-W186 HydrophobicContact CD2-CH2 4.09Å; L103-W186 HydrophobicContact CD2-CZ2 4.48Å; E138-W186 HydrophobicContact CB-CB 4.35Å; E138-W186 HydrophobicContact CG-CB 4.38Å; P139-W186 HydrophobicContact CB-CD2 4Å; P139-W186 HydrophobicContact CB-CE3 4.49Å; P139-W186 HydrophobicContact CB-CG 4.3Å; P139-W186 HydrophobicContact CB-CZ2 4.15Å; P139-W186 HydrophobicContact CG-CD2 3.88Å; P139-W186 HydrophobicContact CG-CE3 4.1Å; P139-W186 HydrophobicContact CG-CG 4.07Å; P139-W186 PolarHBondContact O-NE1 2.9Å; F141-W186 AromaticContact CD1-CZ2 3.95Å; F141-W186 HydrophobicContact CD1-CZ2 3.95Å; F141-W186 AromaticContact CE1-CE2 3.77Å; F141-W186 HydrophobicContact CE1-CH2 4.24Å; F141-W186 AromaticContact CE1-CZ2 3.3Å; F141-W186 HydrophobicContact CE1-CZ2 3.3Å; F141-W186 AromaticContact CE1-NE1 3.86Å; F141-W186 HydrophobicContact CE2-CZ2 4.47Å; F141-W186 AromaticContact CE2-NE1 3.4Å; F141-W186 AromaticContact CZ-CE2 3.54Å; F141-W186 AromaticContact CZ-CZ2 3.61Å; F141-W186 HydrophobicContact CZ-CZ2 3.61Å; F141-W186 AromaticContact CZ-NE1 3.27Å; F141-W186 VanDerWaalsContact CZ-NE1 3.27Å; I147-W186 HydrophobicContact CD1-CH2 3.79Å; I147-W186 HydrophobicContact CD1-CZ2 3.58Å; I147-W186 HydrophobicContact CG1-CH2 4.34Å; I147-W186 HydrophobicContact CG2-CH2 3.87Å; C160-W186 HydrophobicContact CB-CZ3 4.26Å; V162-W186 HydrophobicContact CG2-CZ3 4.38Å; W178-W186 HydrophobicContact CB-CE3 3.92Å; W178-W186 HydrophobicContact CB-CZ3 4.18Å; W178-W186 HydrophobicContact CE3-CB 3.82Å; W178-W186 HydrophobicContact CZ3-CB 4.01Å; L180-W186 HydrophobicContact CB-CE3 3.99Å; L180-W186 HydrophobicContact CB-CH2 4.1Å; L180-W186 HydrophobicContact CB-CZ3 3.63Å; L180-W186 HydrophobicContact CD1-CD2 3.95Å; L180-W186 HydrophobicContact CD1-CE3 4.01Å; L180-W186 HydrophobicContact CD1-CH2 4.1Å; L180-W186 HydrophobicContact CD1-CZ2 4.04Å; L180-W186 HydrophobicContact CD1-CZ3 4.1Å; L180-W186 HydrophobicContact CD2-CH2 4.01Å; L180-W186 HydrophobicContact CD2-CZ2 4.39Å; L180-W186 HydrophobicContact CD2-CZ3 4.41Å; L180-W186 HydrophobicContact CG-CH2 4.31Å; L180-W186 HydrophobicContact CG-CZ3 4.27Å
187H95.3Very high95.5Very high20 Ų2036.9 Ų36.99%0.09321%0.205CC..EExtended strand (participates in β ladder)trans-126.2120.2176.3-54.6-87000109.2W178 F179 D181 C185 L189 T214W178-H187 VanDerWaalsContact CE3-C 3.45Å; F179-H187 HydrophobicContact CB-CB 4.32Å; F179-H187 HydrophobicContact CD1-CB 4.47Å; F179-H187 PolarHBondContact N-O 2.89Å; F179-H187 PolarHBondContact O-N 3.17Å; D181-H187 IonicContact OD2-CD2 3.36Å; D181-H187 IonicContact OD2-CE1 3.2Å; D181-H187 IonicContact OD2-NE2 2.71Å; D181-H187 PolarHBondContact OD2-NE2 2.98Å; C185-H187 PolarHBondContact O-CD2 2.63Å; H187-L189 PolarHBondContact O-N 2.86Å; H187-T214 HydrophobicContact CB-CG2 4.1Å
188F95.8Very high95.3Very high77 Ų7744 Ų4434%0.33823%0.232SC..EExtended strand (participates in β ladder)trans-67.3129178.6179.2-100.2000110.1P136 E176 W178 A191P136-F188 HydrophobicContact CB-CD2 4.45Å; P136-F188 HydrophobicContact CG-CD2 4.48Å; P136-F188 HydrophobicContact CG-CG 4.39Å; E176-F188 HydrophobicContact CB-CE2 4.35Å; E176-F188 HydrophobicContact CG-CE2 4.43Å; W178-F188 HydrophobicContact CD2-CB 4.32Å; W178-F188 HydrophobicContact CD2-CD2 4.25Å; W178-F188 AromaticContact CE2-CD2 3.69Å; W178-F188 HydrophobicContact CE3-CB 4.01Å; W178-F188 VanDerWaalsContact CE3-N 3.33Å; W178-F188 HydrophobicContact CH2-CB 3.86Å; W178-F188 HydrophobicContact CH2-CD2 4.3Å; W178-F188 HydrophobicContact CZ2-CB 4.14Å; W178-F188 AromaticContact CZ2-CD2 3.71Å; W178-F188 HydrophobicContact CZ2-CD2 3.71Å; W178-F188 HydrophobicContact CZ2-CG 4.39Å; W178-F188 HydrophobicContact CZ3-CB 3.79Å; W178-F188 AromaticContact NE1-CD2 3.91Å; F188-A191 HydrophobicContact CZ-CB 4.26Å
189L95.6Very high95.2Very high14 Ų1445 Ų457%0.07324%0.238CC..EExtended strand (participates in β ladder)trans-101.1-64.4172.8-66.4-176.9000110.6V159 I177 F179 H187 Y196 Y213V159-L189 HydrophobicContact CG1-CD1 4.28Å; V159-L189 HydrophobicContact CG2-CD1 3.95Å; I177-L189 HydrophobicContact CG2-CD1 4.47Å; I177-L189 PolarHBondContact O-N 3.12Å; I177-L189 VanDerWaalsContact O-N 3.1Å; F179-L189 HydrophobicContact CB-CD1 3.9Å; F179-L189 HydrophobicContact CB-CD2 4.07Å; F179-L189 HydrophobicContact CB-CG 3.85Å; H187-L189 PolarHBondContact O-N 2.86Å; L189-Y196 HydrophobicContact CD1-CD2 3.89Å; L189-Y196 HydrophobicContact CD1-CE2 3.85Å; L189-Y213 HydrophobicContact CD2-CD2 4.03Å; L189-Y213 HydrophobicContact CD2-CG 3.94Å
190T96.9Very high95Very high17 Ų1745 Ų4510%0.10424%0.238CC..EExtended strand (participates in β ladder)trans-152.2154.7-173.964.50000112.6I177 T192 A195 Y196 L199I177-T190 PolarHBondContact N-O 2.88Å; I177-T190 PolarHBondContact O-N 2.67Å; T190-T192 PolarHBondContact OG1-O 2.82Å; T190-A195 HydrophobicContact CG2-CB 3.79Å; T190-Y196 WeakPolarHBondContact OG1-CB 3.36Å; T190-Y196 PolarHBondContact OG1-N 3.33Å; T190-L199 HydrophobicContact CG2-CD2 4.43Å
191A95.6Very high94.9Very high61 Ų6145 Ų4550%0.50424%0.238SC..SBendtrans-76.6-23.2176.400000113.5F188F188-A191 HydrophobicContact CZ-CB 4.26Å
192T96.9Very high94.8Very high68 Ų6846.9 Ų46.942%0.41725%0.25SC..SBendtrans-129.2155.7-177.268.70000111.6T190 A195 Y196T190-T192 PolarHBondContact OG1-O 2.82Å; T192-A195 PolarHBondContact O-N 3.11Å; T192-A195 WeakPolarHBondContact OG1-CB 3.27Å; T192-A195 PolarHBondContact OG1-N 3.48Å; T192-Y196 PolarHBondContact O-N 3.19Å
193F97.4Very high94.8Very high6 Ų639.4 Ų39.43%0.02622%0.222CC..Hα-helixtrans-65.6-40.4176.3167.6-100000111.2D63 L64 F67 I94 A195 Y196 Y197D63-F193 PolarHBondContact OD2-N 2.81Å; D63-F193 VanDerWaalsContact OD2-N 3.12Å; L64-F193 HydrophobicContact CB-CB 4.03Å; L64-F193 HydrophobicContact CB-CD1 4.2Å; L64-F193 HydrophobicContact CB-CG 3.99Å; L64-F193 HydrophobicContact CD1-CD1 4.12Å; L64-F193 HydrophobicContact CD1-CD2 3.66Å; L64-F193 HydrophobicContact CD1-CE1 4.14Å; L64-F193 HydrophobicContact CD1-CE2 3.64Å; L64-F193 HydrophobicContact CD1-CG 3.89Å; L64-F193 HydrophobicContact CD1-CZ 3.89Å; L64-F193 HydrophobicContact CG-CG 4.46Å; F67-F193 HydrophobicContact CB-CD1 4.33Å; F67-F193 HydrophobicContact CB-CE1 3.56Å; F67-F193 HydrophobicContact CB-CZ 4.19Å; F67-F193 HydrophobicContact CD1-CE1 4.03Å; F67-F193 AromaticContact CD1-CZ 3.75Å; F67-F193 HydrophobicContact CD1-CZ 3.75Å; F67-F193 AromaticContact CD2-CE1 3.78Å; F67-F193 HydrophobicContact CD2-CE1 3.78Å; F67-F193 AromaticContact CD2-CZ 3.91Å; F67-F193 HydrophobicContact CD2-CZ 3.91Å; F67-F193 HydrophobicContact CE1-CZ 4.01Å; F67-F193 HydrophobicContact CE2-CE1 4.44Å; F67-F193 HydrophobicContact CE2-CZ 4.15Å; F67-F193 AromaticContact CG-CE1 3.51Å; F67-F193 HydrophobicContact CG-CE1 3.51Å; F67-F193 AromaticContact CG-CZ 3.67Å; F67-F193 HydrophobicContact CG-CZ 3.67Å; F67-F193 HydrophobicContact CZ-CZ 4.18Å; I94-F193 HydrophobicContact CD1-CE2 4Å; I94-F193 HydrophobicContact CG1-CE2 4.37Å; I94-F193 HydrophobicContact CG1-CZ 4.49Å; I94-F193 HydrophobicContact CG2-CE2 4.13Å; I94-F193 HydrophobicContact CG2-CZ 4.42Å; F193-A195 VanDerWaalsContact C-N 3.29Å; F193-A195 PolarHBondContact O-N 3.03Å; F193-Y196 HydrophobicContact CD2-CD1 4.39Å; F193-Y196 CarbonylContact O-C 3.57Å; F193-Y196 WeakPolarHBondContact O-CB 3.43Å; F193-Y196 PolarHBondContact O-N 3.4Å; F193-Y196 VanDerWaalsContact O-N 3.11Å; F193-Y197 HydrophobicContact CE1-CD2 4.49Å; F193-Y197 HydrophobicContact CZ-CD2 4Å; F193-Y197 HydrophobicContact CZ-CG 4.44Å; F193-Y197 WeakPolarHBondContact O-CB 3.27Å; F193-Y197 PolarHBondContact O-N 3.24Å
194T96.3Very high95Very high71 Ų7135.9 Ų35.944%0.43620%0.197SC..Hα-helixtrans-59.1-41.8178.7-56.60000111.6D63 Y197 R198D63-T194 WeakPolarHBondContact CB-OG1 3.19Å; D63-T194 PolarHBondContact OD2-N 3.36Å; D63-T194 PolarHBondContact OD2-OG1 2.71Å; T194-Y197 PolarHBondContact O-N 3Å; T194-R198 WeakPolarHBondContact O-CG 3.2Å; T194-R198 PolarHBondContact O-N 3.15Å
195A96.7Very high95.1Very high39 Ų3933.1 Ų33.132%0.32218%0.183SC..Hα-helixtrans-63.3-44.1176.500000111.2T190 T192 F193 R198 L199T190-A195 HydrophobicContact CG2-CB 3.79Å; T192-A195 PolarHBondContact O-N 3.11Å; T192-A195 WeakPolarHBondContact OG1-CB 3.27Å; T192-A195 PolarHBondContact OG1-N 3.48Å; F193-A195 VanDerWaalsContact C-N 3.29Å; F193-A195 PolarHBondContact O-N 3.03Å; A195-R198 PolarHBondContact O-N 3.13Å; A195-L199 PolarHBondContact O-N 2.72Å
196Y97.3Very high95.3Very high0 Ų031.1 Ų31.10%017%0.169CC..Hα-helixtrans-61.4-45.9175169.5-110.2000112.2I94 V159 I177 L189 T190 T192 F193 R198 L199 M200 W209I94-Y196 HydrophobicContact CD1-CD1 4.24Å; I94-Y196 HydrophobicContact CD1-CE1 3.51Å; V159-Y196 HydrophobicContact CB-CE2 4.28Å; V159-Y196 HydrophobicContact CG1-CD2 4.24Å; V159-Y196 HydrophobicContact CG1-CE1 4.01Å; V159-Y196 HydrophobicContact CG1-CE2 3.68Å; V159-Y196 HydrophobicContact CG2-CE2 3.88Å; V159-Y196 WeakPolarHBondContact CG2-OH 3.46Å; I177-Y196 HydrophobicContact CG2-CD1 4.27Å; I177-Y196 HydrophobicContact CG2-CD2 3.9Å; I177-Y196 HydrophobicContact CG2-CG 3.77Å; L189-Y196 HydrophobicContact CD1-CD2 3.89Å; L189-Y196 HydrophobicContact CD1-CE2 3.85Å; T190-Y196 WeakPolarHBondContact OG1-CB 3.36Å; T190-Y196 PolarHBondContact OG1-N 3.33Å; T192-Y196 PolarHBondContact O-N 3.19Å; F193-Y196 HydrophobicContact CD2-CD1 4.39Å; F193-Y196 CarbonylContact O-C 3.57Å; F193-Y196 WeakPolarHBondContact O-CB 3.43Å; F193-Y196 PolarHBondContact O-N 3.4Å; F193-Y196 VanDerWaalsContact O-N 3.11Å; Y196-R198 VanDerWaalsContact C-N 3.3Å; Y196-R198 PolarHBondContact O-N 3.28Å; Y196-L199 WeakPolarHBondContact O-CA 3.1Å; Y196-L199 VanDerWaalsContact O-CB 3.22Å; Y196-L199 WeakPolarHBondContact O-CB 3.43Å; Y196-L199 PolarHBondContact O-N 3.45Å; Y196-M200 PolarHBondContact O-N 2.83Å; Y196-W209 HydrophobicContact CD2-CH2 4.19Å; Y196-W209 AromaticContact CE2-CH2 3.67Å; Y196-W209 HydrophobicContact CE2-CH2 3.67Å; Y196-W209 AromaticContact CE2-CZ2 3.9Å; Y196-W209 HydrophobicContact CE2-CZ2 3.9Å
197Y96.1Very high95.3Very high23 Ų2332.7 Ų32.79%0.0918%0.181CC..Hα-helixtrans-59.4-41.8179.3-174-98.8000111.6L19 F67 F74 I94 F193 T194 L199 M200 I201L19-Y197 WeakPolarHBondContact O-CE1 3.14Å; L19-Y197 PolarHBondContact O-OH 2.88Å; F67-Y197 HydrophobicContact CE2-CD2 4.2Å; F67-Y197 AromaticContact CE2-CE2 3.7Å; F67-Y197 HydrophobicContact CE2-CE2 3.7Å; F67-Y197 HydrophobicContact CZ-CE2 4.27Å; F74-Y197 HydrophobicContact CD2-CE2 4.5Å; F74-Y197 WeakPolarHBondContact CE2-OH 3.21Å; F74-Y197 HydrophobicContact CG-CE2 4.43Å; I94-Y197 HydrophobicContact CG1-CD2 4.41Å; F193-Y197 HydrophobicContact CE1-CD2 4.49Å; F193-Y197 HydrophobicContact CZ-CD2 4Å; F193-Y197 HydrophobicContact CZ-CG 4.44Å; F193-Y197 WeakPolarHBondContact O-CB 3.27Å; F193-Y197 PolarHBondContact O-N 3.24Å; T194-Y197 PolarHBondContact O-N 3Å; Y197-L199 VanDerWaalsContact C-N 3.31Å; Y197-L199 PolarHBondContact O-N 3.31Å; Y197-M200 HydrophobicContact CD2-CE 3.61Å; Y197-M200 HydrophobicContact CE2-CE 3.55Å; Y197-M200 HydrophobicContact CG-CE 4.46Å; Y197-M200 PolarHBondContact O-N 3.12Å; Y197-I201 HydrophobicContact CD1-CD1 3.71Å; Y197-I201 HydrophobicContact CD1-CG1 4.49Å; Y197-I201 HydrophobicContact CE1-CD1 3.19Å; Y197-I201 HydrophobicContact CE1-CG1 4.2Å; Y197-I201 WeakPolarHBondContact O-CG1 3.1Å; Y197-I201 PolarHBondContact O-N 3.17Å
198R94.3Very high95.3Very high150 Ų15033.1 Ų33.157%0.56618%0.183SC*.Hα-helixtrans-63.3-38173.4-69.1-178.783.7-100.7-2.1112T194 A195 Y196 I201 T202T194-R198 WeakPolarHBondContact O-CG 3.2Å; T194-R198 PolarHBondContact O-N 3.15Å; A195-R198 PolarHBondContact O-N 3.13Å; Y196-R198 VanDerWaalsContact C-N 3.3Å; Y196-R198 PolarHBondContact O-N 3.28Å; R198-I201 PolarHBondContact O-N 2.75Å; R198-T202 WeakPolarHBondContact O-CB 3.26Å; R198-T202 PolarHBondContact O-N 2.79Å; R198-T202 PolarHBondContact O-OG1 2.85Å
199L94.3Very high95.3Very high26 Ų2630 Ų3014%0.13617%0.169CC..Hα-helixtrans-63.2-50.2177-159.863.5000111.2T190 A195 Y196 Y197 I201 T202 H203 W209 Y213T190-L199 HydrophobicContact CG2-CD2 4.43Å; A195-L199 PolarHBondContact O-N 2.72Å; Y196-L199 WeakPolarHBondContact O-CA 3.1Å; Y196-L199 VanDerWaalsContact O-CB 3.22Å; Y196-L199 WeakPolarHBondContact O-CB 3.43Å; Y196-L199 PolarHBondContact O-N 3.45Å; Y197-L199 VanDerWaalsContact C-N 3.31Å; Y197-L199 PolarHBondContact O-N 3.31Å; L199-I201 VanDerWaalsContact C-N 3.32Å; L199-I201 PolarHBondContact O-N 2.87Å; L199-T202 WeakPolarHBondContact O-CB 3.33Å; L199-T202 PolarHBondContact O-N 2.88Å; L199-T202 VanDerWaalsContact O-N 3.09Å; L199-H203 PolarHBondContact O-CD2 3.06Å; L199-H203 VanDerWaalsContact O-CD2 3.25Å; L199-H203 PolarHBondContact O-N 3.45Å; L199-W209 HydrophobicContact CB-CH2 4.16Å; L199-W209 HydrophobicContact CB-CZ3 4.21Å; L199-W209 HydrophobicContact CD2-CH2 3.95Å; L199-W209 HydrophobicContact CD2-CZ3 3.5Å; L199-W209 HydrophobicContact CG-CE3 4.39Å; L199-W209 HydrophobicContact CG-CH2 3.94Å; L199-W209 HydrophobicContact CG-CZ3 3.49Å; L199-W209 VanDerWaalsContact CG-CZ3 3.49Å; L199-Y213 HydrophobicContact CD1-CE2 4.15Å; L199-Y213 WeakPolarHBondContact CD1-OH 3.21Å; L199-Y213 HydrophobicContact CD2-CD2 4.35Å; L199-Y213 HydrophobicContact CD2-CE1 4.45Å; L199-Y213 HydrophobicContact CD2-CE2 3.72Å; L199-Y213 HydrophobicContact CG-CE2 4.15Å
200M95.1Very high95.3Very high1 Ų129.7 Ų29.71%0.00517%0.168CC..Hα-helixtrans-53.5-47.4175.1179.7-171.271.400112.1F74 M92 I94 Y196 Y197 H203 L204 G205 W209F74-M200 HydrophobicContact CD1-CE 3.89Å; F74-M200 HydrophobicContact CE1-CE 3.75Å; M92-M200 HydrophobicContact CB-CE 4.05Å; M92-M200 HydrophobicContact CB-CG 3.97Å; M92-M200 HydrophobicContact CB-SD 3.76Å; M92-M200 HydrophobicContact CG-CG 3.98Å; M92-M200 HydrophobicContact CG-SD 4.42Å; I94-M200 HydrophobicContact CD1-CE 4.44Å; I94-M200 HydrophobicContact CD1-SD 3.98Å; I94-M200 HydrophobicContact CG1-CE 4.29Å; I94-M200 HydrophobicContact CG1-SD 4.26Å; Y196-M200 PolarHBondContact O-N 2.83Å; Y197-M200 HydrophobicContact CD2-CE 3.61Å; Y197-M200 HydrophobicContact CE2-CE 3.55Å; Y197-M200 HydrophobicContact CG-CE 4.46Å; Y197-M200 PolarHBondContact O-N 3.12Å; M200-H203 PolarHBondContact O-N 3.05Å; M200-L204 PolarHBondContact O-N 3.42Å; M200-G205 PolarHBondContact O-N 2.97Å; M200-W209 HydrophobicContact CB-CH2 4.46Å; M200-W209 HydrophobicContact CB-CZ2 3.87Å; M200-W209 HydrophobicContact CG-CZ2 4.32Å
201I93.1Very high95.2Very high7 Ų729.9 Ų29.94%0.03617%0.166CC..Hα-helixtrans-63.5-45.2177.1-72.7179.4000111.3I23 M92 Y197 R198 L199 H203 L204I23-I201 HydrophobicContact CB-CG2 4.28Å; I23-I201 HydrophobicContact CD1-CG2 3.69Å; I23-I201 HydrophobicContact CG1-CG2 3.47Å; I23-I201 VanDerWaalsContact CG1-CG2 3.47Å; M92-I201 HydrophobicContact SD-CG1 4.43Å; Y197-I201 HydrophobicContact CD1-CD1 3.71Å; Y197-I201 HydrophobicContact CD1-CG1 4.49Å; Y197-I201 HydrophobicContact CE1-CD1 3.19Å; Y197-I201 HydrophobicContact CE1-CG1 4.2Å; Y197-I201 WeakPolarHBondContact O-CG1 3.1Å; Y197-I201 PolarHBondContact O-N 3.17Å; R198-I201 PolarHBondContact O-N 2.75Å; L199-I201 VanDerWaalsContact C-N 3.32Å; L199-I201 PolarHBondContact O-N 2.87Å; I201-H203 PolarHBondContact O-N 3.36Å; I201-L204 PolarHBondContact O-N 3.33Å
202T92.3Very high95.1Very high42 Ų4229.7 Ų29.726%0.25816%0.164SC..Hα-helixtrans-60.8-36.4-177.8-64.30000111.7R198 L199 L204 I233R198-T202 WeakPolarHBondContact O-CB 3.26Å; R198-T202 PolarHBondContact O-N 2.79Å; R198-T202 PolarHBondContact O-OG1 2.85Å; L199-T202 WeakPolarHBondContact O-CB 3.33Å; L199-T202 PolarHBondContact O-N 2.88Å; L199-T202 VanDerWaalsContact O-N 3.09Å; T202-L204 VanDerWaalsContact C-N 3.28Å; T202-L204 PolarHBondContact O-N 2.8Å; T202-I233 HydrophobicContact CG2-CD1 3.21Å; T202-I233 HydrophobicContact CG2-CG1 3.68Å; T202-I233 HydrophobicContact CG2-CG2 4.46Å
203H93.7Very high94.9Very high13 Ų1331.2 Ų31.26%0.0616%0.163CC..THydrogen-bonded Turntrans-84.74.7175.6-74.4-78.2000114.4L199 M200 I201 G205 L206 W209 Y213L199-H203 PolarHBondContact O-CD2 3.06Å; L199-H203 VanDerWaalsContact O-CD2 3.25Å; L199-H203 PolarHBondContact O-N 3.45Å; M200-H203 PolarHBondContact O-N 3.05Å; I201-H203 PolarHBondContact O-N 3.36Å; H203-G205 PolarHBondContact O-N 3.43Å; H203-L206 WeakPolarHBondContact O-CB 3.39Å; H203-L206 WeakPolarHBondContact O-CD1 3.32Å; H203-L206 VanDerWaalsContact O-CG 3.29Å; H203-L206 WeakPolarHBondContact O-CG 3.35Å; H203-L206 PolarHBondContact O-N 3.13Å; H203-W209 HydrophobicContact CB-CB 3.6Å; H203-W209 HydrophobicContact CB-CD2 3.68Å; H203-W209 HydrophobicContact CB-CE3 3.99Å; H203-W209 HydrophobicContact CB-CG 3.51Å; H203-W209 AromaticContact CD2-CD2 3.97Å; H203-W209 AromaticContact CD2-CE3 3.33Å; H203-W209 AromaticContact CD2-CZ3 3.88Å; H203-W209 AromaticContact CG-CD2 3.86Å; H203-W209 AromaticContact CG-CE3 3.67Å; H203-W209 AromaticContact CG-CG 3.94Å; H203-W209 AromaticContact NE2-CE3 3.96Å; H203-Y213 AromaticContact NE2-CE2 3.84Å
204L94.4Very high94.7Very high0 Ų031.6 Ų31.60%017%0.166CC..THydrogen-bonded Turntrans57.316.3178.9-55.1176.7000114.6I23 L27 M30 W78 M92 M200 I201 T202 L206 Y229 P231I23-L204 HydrophobicContact CD1-CD2 3.73Å; I23-L204 HydrophobicContact CG2-CD2 3.57Å; L27-L204 HydrophobicContact CD2-CB 4.48Å; L27-L204 HydrophobicContact CD2-CD1 4.25Å; L27-L204 HydrophobicContact CD2-CD2 4.34Å; M30-L204 HydrophobicContact CE-CD1 3.5Å; M30-L204 VanDerWaalsContact CE-CD1 3.5Å; M30-L204 HydrophobicContact CE-CD2 4.26Å; M30-L204 HydrophobicContact SD-CD1 4.06Å; W78-L204 HydrophobicContact CZ2-CB 4.21Å; W78-L204 PolarHBondContact NE1-O 3.34Å; M92-L204 HydrophobicContact CE-CB 4.4Å; M200-L204 PolarHBondContact O-N 3.42Å; I201-L204 PolarHBondContact O-N 3.33Å; T202-L204 VanDerWaalsContact C-N 3.28Å; T202-L204 PolarHBondContact O-N 2.8Å; L204-L206 HydrophobicContact CB-CG 4.36Å; L204-L206 PolarHBondContact O-N 3.28Å; L204-Y229 WeakPolarHBondContact CD1-O 3.46Å; L204-P231 HydrophobicContact CD1-CG 4.1Å; L204-P231 HydrophobicContact CG-CG 4.27Å
205G93.8Very high94.5Very high3 Ų332.2 Ų32.23%0.03117%0.172CC..THydrogen-bonded Turntrans64.122.8-171.100000114.2G90 C91 M200 H203G90-G205 CarbonylContact C-O 3.52Å; G90-G205 VanDerWaalsContact CA-O 3.25Å; G90-G205 WeakPolarHBondContact CA-O 3.24Å; C91-G205 PolarHBondContact N-O 2.85Å; C91-G205 WeakPolarHBondContact O-CA 3.34Å; M200-G205 PolarHBondContact O-N 2.97Å; H203-G205 PolarHBondContact O-N 3.43Å
206L95.4Very high94.3Very high4 Ų437 Ų372%0.02118%0.182CC..  trans-57.7152.5179.3-76.7166000112.2W78 L89 H203 L204 E208 W209 W225 A226 Q230W78-L206 HydrophobicContact CH2-CD2 3.82Å; W78-L206 HydrophobicContact CZ2-CD2 3.77Å; W78-L206 HydrophobicContact CZ2-CG 4.3Å; L89-L206 HydrophobicContact CD2-CD2 4.16Å; L89-L206 HydrophobicContact CG-CD2 4.11Å; H203-L206 WeakPolarHBondContact O-CB 3.39Å; H203-L206 WeakPolarHBondContact O-CD1 3.32Å; H203-L206 VanDerWaalsContact O-CG 3.29Å; H203-L206 WeakPolarHBondContact O-CG 3.35Å; H203-L206 PolarHBondContact O-N 3.13Å; L204-L206 HydrophobicContact CB-CG 4.36Å; L204-L206 PolarHBondContact O-N 3.28Å; L206-E208 PolarHBondContact O-N 3.46Å; L206-W209 PolarHBondContact O-N 2.93Å; L206-W225 HydrophobicContact CD2-CB 4.38Å; L206-A226 HydrophobicContact CD1-CB 4.42Å; L206-Q230 HydrophobicContact CD1-CB 3.98Å
207P94.7Very high94.1Very high44 Ų4438 Ų3829%0.28619%0.192SC..THydrogen-bonded Turntrans-55.2135.3-179-24.333.7000112.1L89 W209 A222L89-P207 HydrophobicContact CD1-CG 3.6Å; L89-P207 VanDerWaalsContact O-CD 3.32Å; L89-P207 WeakPolarHBondContact O-CD 3.46Å; L89-P207 WeakPolarHBondContact O-CG 3.22Å; P207-W209 PolarHBondContact O-N 2.63Å; P207-A222 HydrophobicContact CB-CB 4.36Å; P207-A222 WeakPolarHBondContact O-CB 3.13Å
208E95.4Very high94Very high30 Ų3038.1 Ų38.114%0.1420%0.196CC..THydrogen-bonded Turntrans57.122.2173.1-56.3178163.600114.9N156 L206 Q210 Y211 P218 S219 A222N156-E208 HydrophobicContact CB-CG 4.4Å; L206-E208 PolarHBondContact O-N 3.46Å; E208-Q210 PolarHBondContact O-N 3.39Å; E208-Q210 VanDerWaalsContact O-N 3.12Å; E208-Y211 HydrophobicContact CB-CD2 3.88Å; E208-Y211 HydrophobicContact CG-CD2 4.29Å; E208-Y211 WeakPolarHBondContact O-CB 3.5Å; E208-Y211 PolarHBondContact O-N 3.14Å; E208-P218 HydrophobicContact CB-CB 4.11Å; E208-S219 WeakPolarHBondContact OE2-CA 3.45Å; E208-S219 WeakPolarHBondContact OE2-CB 3.35Å; E208-S219 PolarHBondContact OE2-N 3Å; E208-S219 PolarHBondContact OE2-OG 3.2Å; E208-A222 HydrophobicContact CB-CB 4.05Å; E208-A222 HydrophobicContact CG-CB 4.43Å; E208-A222 WeakPolarHBondContact OE2-CB 3.27Å
209W95.3Very high94Very high11 Ų1132.9 Ų32.94%0.04218%0.182CC..G310 helixtrans-58.7-30.2-178.173.3-100.1000112.8Y196 L199 M200 H203 L206 P207 Y211 A212 Y213Y196-W209 HydrophobicContact CD2-CH2 4.19Å; Y196-W209 AromaticContact CE2-CH2 3.67Å; Y196-W209 HydrophobicContact CE2-CH2 3.67Å; Y196-W209 AromaticContact CE2-CZ2 3.9Å; Y196-W209 HydrophobicContact CE2-CZ2 3.9Å; L199-W209 HydrophobicContact CB-CH2 4.16Å; L199-W209 HydrophobicContact CB-CZ3 4.21Å; L199-W209 HydrophobicContact CD2-CH2 3.95Å; L199-W209 HydrophobicContact CD2-CZ3 3.5Å; L199-W209 HydrophobicContact CG-CE3 4.39Å; L199-W209 HydrophobicContact CG-CH2 3.94Å; L199-W209 HydrophobicContact CG-CZ3 3.49Å; L199-W209 VanDerWaalsContact CG-CZ3 3.49Å; M200-W209 HydrophobicContact CB-CH2 4.46Å; M200-W209 HydrophobicContact CB-CZ2 3.87Å; M200-W209 HydrophobicContact CG-CZ2 4.32Å; H203-W209 HydrophobicContact CB-CB 3.6Å; H203-W209 HydrophobicContact CB-CD2 3.68Å; H203-W209 HydrophobicContact CB-CE3 3.99Å; H203-W209 HydrophobicContact CB-CG 3.51Å; H203-W209 AromaticContact CD2-CD2 3.97Å; H203-W209 AromaticContact CD2-CE3 3.33Å; H203-W209 AromaticContact CD2-CZ3 3.88Å; H203-W209 AromaticContact CG-CD2 3.86Å; H203-W209 AromaticContact CG-CE3 3.67Å; H203-W209 AromaticContact CG-CG 3.94Å; H203-W209 AromaticContact NE2-CE3 3.96Å; L206-W209 PolarHBondContact O-N 2.93Å; P207-W209 PolarHBondContact O-N 2.63Å; W209-Y211 PolarHBondContact O-N 2.97Å; W209-A212 WeakPolarHBondContact O-CB 3.47Å; W209-A212 PolarHBondContact O-N 2.93Å; W209-A212 VanDerWaalsContact O-N 3.13Å; W209-Y213 HydrophobicContact CE3-CE2 4.32Å; W209-Y213 HydrophobicContact CZ3-CE2 4.17Å
210Q95.8Very high94.1Very high8 Ų836.5 Ų36.54%0.03721%0.207CC..G310 helixtrans-61.6-31.9176-59.884.9-11.600112C153 V159 F179 E208 A212 Y213C153-Q210 PolarHBondContact SG-NE2 3.06Å; C153-Q210 VanDerWaalsContact SG-NE2 3.37Å; V159-Q210 HydrophobicContact CG2-CG 4.08Å; F179-Q210 HydrophobicContact CD1-CB 4.14Å; F179-Q210 HydrophobicContact CD2-CB 3.77Å; F179-Q210 HydrophobicContact CD2-CG 4.06Å; F179-Q210 HydrophobicContact CE1-CB 4.16Å; F179-Q210 HydrophobicContact CE2-CB 3.79Å; F179-Q210 HydrophobicContact CE2-CG 4.17Å; F179-Q210 HydrophobicContact CG-CB 3.96Å; F179-Q210 HydrophobicContact CZ-CB 3.99Å; E208-Q210 PolarHBondContact O-N 3.39Å; E208-Q210 VanDerWaalsContact O-N 3.12Å; Q210-A212 PolarHBondContact O-N 3.48Å; Q210-A212 VanDerWaalsContact O-N 3.13Å; Q210-Y213 PolarHBondContact O-N 2.63Å
211Y95.6Very high94Very high21 Ų2142.5 Ų42.58%0.08224%0.235CC..G310 helixtrans-65.5-15.4178.2-80.6-91.3000113N156 F179 D181 E208 W209 Y213 T214 G217N156-Y211 HydrophobicContact CB-CE2 4.22Å; N156-Y211 WeakPolarHBondContact O-CE2 3.23Å; N156-Y211 VanDerWaalsContact O-CZ 3.32Å; N156-Y211 PolarHBondContact O-OH 3.3Å; F179-Y211 HydrophobicContact CE1-CD1 4.39Å; F179-Y211 HydrophobicContact CE1-CD2 4.03Å; F179-Y211 HydrophobicContact CE1-CE1 4.25Å; F179-Y211 AromaticContact CE1-CE2 3.87Å; F179-Y211 HydrophobicContact CE1-CE2 3.87Å; F179-Y211 HydrophobicContact CE1-CG 4.29Å; F179-Y211 AromaticContact CE1-CZ 3.99Å; F179-Y211 AromaticContact CZ-CD2 3.95Å; F179-Y211 HydrophobicContact CZ-CD2 3.95Å; F179-Y211 AromaticContact CZ-CE2 3.56Å; F179-Y211 HydrophobicContact CZ-CE2 3.56Å; F179-Y211 AromaticContact CZ-CZ 3.98Å; D181-Y211 HydrophobicContact CB-CE1 4.18Å; E208-Y211 HydrophobicContact CB-CD2 3.88Å; E208-Y211 HydrophobicContact CG-CD2 4.29Å; E208-Y211 WeakPolarHBondContact O-CB 3.5Å; E208-Y211 PolarHBondContact O-N 3.14Å; W209-Y211 PolarHBondContact O-N 2.97Å; Y211-Y213 PolarHBondContact O-N 3.41Å; Y211-Y213 VanDerWaalsContact O-N 3.15Å; Y211-T214 HydrophobicContact CD1-CG2 4.18Å; Y211-T214 PolarHBondContact O-N 2.83Å; Y211-T214 PolarHBondContact O-OG1 3.38Å; Y211-G217 VanDerWaalsContact O-CA 3.22Å; Y211-G217 WeakPolarHBondContact O-CA 3.23Å
212A93.2Very high94.1Very high56 Ų5642.4 Ų42.446%0.46324%0.235SC..G310 helixtrans-60.7-18.4170.800000113.2W209 Q210W209-A212 WeakPolarHBondContact O-CB 3.47Å; W209-A212 PolarHBondContact O-N 2.93Å; W209-A212 VanDerWaalsContact O-N 3.13Å; Q210-A212 PolarHBondContact O-N 3.48Å; Q210-A212 VanDerWaalsContact O-N 3.13Å
213Y93Very high94.2Very high101 Ų10145.2 Ų45.240%0.39624%0.244SC..G310 helixtrans-100.413.1177.6-62.4-85.8000113.1L189 L199 H203 W209 Q210 Y211L189-Y213 HydrophobicContact CD2-CD2 4.03Å; L189-Y213 HydrophobicContact CD2-CG 3.94Å; L199-Y213 HydrophobicContact CD1-CE2 4.15Å; L199-Y213 WeakPolarHBondContact CD1-OH 3.21Å; L199-Y213 HydrophobicContact CD2-CD2 4.35Å; L199-Y213 HydrophobicContact CD2-CE1 4.45Å; L199-Y213 HydrophobicContact CD2-CE2 3.72Å; L199-Y213 HydrophobicContact CG-CE2 4.15Å; H203-Y213 AromaticContact NE2-CE2 3.84Å; W209-Y213 HydrophobicContact CE3-CE2 4.32Å; W209-Y213 HydrophobicContact CZ3-CE2 4.17Å; Q210-Y213 PolarHBondContact O-N 2.63Å; Y211-Y213 PolarHBondContact O-N 3.41Å; Y211-Y213 VanDerWaalsContact O-N 3.15Å
214T93.9Very high94.2Very high14 Ų1450.8 Ų50.89%0.08627%0.27CS..SBendtrans-117.4155179.9740000109.4F179 H187 Y211 Y216 G217F179-T214 HydrophobicContact CD1-CG2 3.97Å; F179-T214 HydrophobicContact CE1-CG2 4.15Å; H187-T214 HydrophobicContact CB-CG2 4.1Å; Y211-T214 HydrophobicContact CD1-CG2 4.18Å; Y211-T214 PolarHBondContact O-N 2.83Å; Y211-T214 PolarHBondContact O-OG1 3.38Å; T214-Y216 PolarHBondContact O-N 2.96Å; T214-Y216 VanDerWaalsContact O-N 3.14Å; T214-G217 PolarHBondContact O-N 3.15Å; T214-G217 PolarHBondContact OG1-N 2.95Å
215P91.7Very high94.2Very high84 Ų8452.1 Ų52.155%0.54528%0.275SS..THydrogen-bonded Turntrans-63.2-18.6176.426.1-35000113.3
216Y91.3Very high94.2Very high140 Ų14052.9 Ų52.955%0.54928%0.281SS..THydrogen-bonded Turntrans-82.8-32.2-178.1-46.8-62.6000112.6T214T214-Y216 PolarHBondContact O-N 2.96Å; T214-Y216 VanDerWaalsContact O-N 3.14Å
217G93.2Very high94Very high20 Ų2057.7 Ų57.721%0.20632%0.315CS..  trans69.3171.7-172.800000113.7Y211 T214Y211-G217 VanDerWaalsContact O-CA 3.22Å; Y211-G217 WeakPolarHBondContact O-CA 3.23Å; T214-G217 PolarHBondContact O-N 3.15Å; T214-G217 PolarHBondContact OG1-N 2.95Å
218P94.5Very high93.8Very high26 Ų2661.3 Ų61.317%0.16933%0.331CS..  trans-70.6159.1176.524.3-28.7000112.1E208 A222 K223E208-P218 HydrophobicContact CB-CB 4.11Å; P218-A222 HydrophobicContact CB-CB 3.91Å; P218-K223 HydrophobicContact CB-CG 4.4Å; P218-K223 HydrophobicContact CG-CG 3.82Å; P218-K223 WeakPolarHBondContact O-CE 3.34Å; P218-K223 PolarHBondContact O-NZ 3.37Å
219S95Very high93.6Very high39 Ų3961.1 Ų61.127%0.27333%0.329SS..  trans-60158.4175.766.30000112.2E208 Q221 A222 K223E208-S219 WeakPolarHBondContact OE2-CA 3.45Å; E208-S219 WeakPolarHBondContact OE2-CB 3.35Å; E208-S219 PolarHBondContact OE2-N 3Å; E208-S219 PolarHBondContact OE2-OG 3.2Å; S219-Q221 PolarHBondContact O-N 3.35Å; S219-A222 PolarHBondContact O-N 3.08Å; S219-A222 VanDerWaalsContact O-N 3.17Å; S219-A222 WeakPolarHBondContact OG-CB 3.34Å; S219-A222 PolarHBondContact OG-N 2.88Å; S219-K223 WeakPolarHBondContact O-CG 3.35Å; S219-K223 PolarHBondContact O-N 3.1Å
220P95.8Very high93.1Very high102 Ų10264.1 Ų64.166%0.66234%0.344SS*.Hα-helixtrans-55.4-37.2176.7-26.935.6000113.4K223 Q224P220-K223 PolarHBondContact O-N 3.32Å; P220-Q224 WeakPolarHBondContact O-CG 3.35Å; P220-Q224 PolarHBondContact O-N 3.2Å; P220-Q224 VanDerWaalsContact O-N 3.12Å
221Q94Very high92.4Very high128 Ų12866.2 Ų66.260%0.59836%0.358SS*.Hα-helixtrans-67.6-45.6177.8-172.6-179.420.600111.5S219 K223 Q224 W225S219-Q221 PolarHBondContact O-N 3.35Å; Q221-K223 VanDerWaalsContact C-N 3.29Å; Q221-K223 PolarHBondContact O-N 3.36Å; Q221-Q224 WeakPolarHBondContact O-CB 3.13Å; Q221-Q224 PolarHBondContact O-N 2.99Å; Q221-W225 PolarHBondContact O-N 3.15Å
222A94.4Very high91.2Very high4 Ų474 Ų743%0.03340%0.4CS..Hα-helixtrans-60.5-39.4175.300000111.9P207 E208 P218 S219 Q224 W225 A226P207-A222 HydrophobicContact CB-CB 4.36Å; P207-A222 WeakPolarHBondContact O-CB 3.13Å; E208-A222 HydrophobicContact CB-CB 4.05Å; E208-A222 HydrophobicContact CG-CB 4.43Å; E208-A222 WeakPolarHBondContact OE2-CB 3.27Å; P218-A222 HydrophobicContact CB-CB 3.91Å; S219-A222 PolarHBondContact O-N 3.08Å; S219-A222 VanDerWaalsContact O-N 3.17Å; S219-A222 WeakPolarHBondContact OG-CB 3.34Å; S219-A222 PolarHBondContact OG-N 2.88Å; A222-Q224 VanDerWaalsContact C-N 3.33Å; A222-Q224 PolarHBondContact O-N 3.15Å; A222-W225 PolarHBondContact O-N 2.89Å; A222-A226 WeakPolarHBondContact O-CB 3.32Å; A222-A226 PolarHBondContact O-N 2.9Å
223K94.5Very high89.8Confident101 Ų10174.8 Ų74.844%0.43940%0.396SS..Hα-helixtrans-61.5-37.2174.9-73170.8173155.30113P218 S219 P220 Q221 A226 S227P218-K223 HydrophobicContact CB-CG 4.4Å; P218-K223 HydrophobicContact CG-CG 3.82Å; P218-K223 WeakPolarHBondContact O-CE 3.34Å; P218-K223 PolarHBondContact O-NZ 3.37Å; S219-K223 WeakPolarHBondContact O-CG 3.35Å; S219-K223 PolarHBondContact O-N 3.1Å; P220-K223 PolarHBondContact O-N 3.32Å; Q221-K223 VanDerWaalsContact C-N 3.29Å; Q221-K223 PolarHBondContact O-N 3.36Å; K223-A226 PolarHBondContact O-N 3.33Å; K223-S227 WeakPolarHBondContact O-CB 3.47Å; K223-S227 PolarHBondContact O-N 2.99Å; K223-S227 PolarHBondContact O-OG 2.99Å
224Q94.2Very high87.8Confident131 Ų13179.1 Ų79.161%0.61242%0.417SS*.Hα-helixtrans-63.5-46.5175-72.4172.8-22.600111P220 Q221 A222 A226 S227 L228P220-Q224 WeakPolarHBondContact O-CG 3.35Å; P220-Q224 PolarHBondContact O-N 3.2Å; P220-Q224 VanDerWaalsContact O-N 3.12Å; Q221-Q224 WeakPolarHBondContact O-CB 3.13Å; Q221-Q224 PolarHBondContact O-N 2.99Å; A222-Q224 VanDerWaalsContact C-N 3.33Å; A222-Q224 PolarHBondContact O-N 3.15Å; Q224-A226 PolarHBondContact O-N 2.87Å; Q224-S227 WeakPolarHBondContact O-CB 3.45Å; Q224-S227 PolarHBondContact O-N 3.43Å; Q224-L228 WeakPolarHBondContact O-CG 3.44Å; Q224-L228 PolarHBondContact O-N 3.37Å
225W93.9Very high85.7Confident27 Ų2782.5 Ų82.510%0.10244%0.442CS..Hα-helixtrans-63.4-42176.6-70.2123.9000113.1V80 L82 V87 L89 L206 Q221 A222 S227 L228 Y229V80-W225 HydrophobicContact CB-CZ3 4.42Å; V80-W225 HydrophobicContact CG1-CZ3 4.33Å; V80-W225 HydrophobicContact CG2-CZ3 4.46Å; L82-W225 HydrophobicContact CD1-CH2 3.43Å; L82-W225 VanDerWaalsContact CD1-CH2 3.43Å; L82-W225 HydrophobicContact CD1-CZ2 4.07Å; L82-W225 HydrophobicContact CD1-CZ3 4.35Å; L82-W225 HydrophobicContact CG-CH2 4.16Å; V87-W225 HydrophobicContact CG1-CZ2 4.3Å; L89-W225 HydrophobicContact CD1-CB 3.89Å; L89-W225 HydrophobicContact CD1-CD2 3.47Å; L89-W225 VanDerWaalsContact CD1-CD2 3.47Å; L89-W225 HydrophobicContact CD1-CE3 4.02Å; L89-W225 HydrophobicContact CD1-CG 3.43Å; L89-W225 VanDerWaalsContact CD1-CG 3.43Å; L89-W225 HydrophobicContact CD1-CZ2 4.34Å; L89-W225 HydrophobicContact CD2-CB 4.39Å; L89-W225 HydrophobicContact CD2-CD2 3.76Å; L89-W225 HydrophobicContact CD2-CE3 3.38Å; L89-W225 HydrophobicContact CD2-CG 4.24Å; L89-W225 HydrophobicContact CD2-CH2 4.38Å; L89-W225 HydrophobicContact CD2-CZ3 3.75Å; L89-W225 HydrophobicContact CG-CD2 4.32Å; L89-W225 HydrophobicContact CG-CE3 4.39Å; L206-W225 HydrophobicContact CD2-CB 4.38Å; Q221-W225 PolarHBondContact O-N 3.15Å; A222-W225 PolarHBondContact O-N 2.89Å; W225-S227 VanDerWaalsContact C-N 3.3Å; W225-S227 PolarHBondContact O-N 3.48Å; W225-L228 HydrophobicContact CE3-CD1 4.01Å; W225-L228 HydrophobicContact CZ3-CD1 4.28Å; W225-L228 PolarHBondContact O-N 2.92Å; W225-L228 VanDerWaalsContact O-N 3.13Å; W225-Y229 HydrophobicContact CE3-CD2 4.06Å; W225-Y229 AromaticContact CE3-CE2 3.8Å; W225-Y229 HydrophobicContact CE3-CE2 3.8Å; W225-Y229 AromaticContact CZ3-CE2 3.84Å; W225-Y229 HydrophobicContact CZ3-CE2 3.84Å; W225-Y229 PolarHBondContact O-N 3.39Å
226A92.9Very high83.2Confident19 Ų1984.8 Ų84.816%0.15745%0.449CS..Hα-helixtrans-58.8-42.8173.300000111.8L206 A222 K223 Q224 L228 Y229 Q230L206-A226 HydrophobicContact CD1-CB 4.42Å; A222-A226 WeakPolarHBondContact O-CB 3.32Å; A222-A226 PolarHBondContact O-N 2.9Å; K223-A226 PolarHBondContact O-N 3.33Å; Q224-A226 PolarHBondContact O-N 2.87Å; A226-L228 PolarHBondContact O-N 3.4Å; A226-Y229 PolarHBondContact O-N 3.48Å; A226-Q230 HydrophobicContact CB-CB 4.34Å; A226-Q230 WeakPolarHBondContact O-CA 3.22Å; A226-Q230 WeakPolarHBondContact O-CB 3.3Å; A226-Q230 PolarHBondContact O-N 3.01Å
227S91.3Very high80.8Confident105 Ų10584.8 Ų84.873%0.73445%0.454SS*.Hα-helixtrans-62.8-26.4177.4-57.20000113.4K223 Q224 W225K223-S227 WeakPolarHBondContact O-CB 3.47Å; K223-S227 PolarHBondContact O-N 2.99Å; K223-S227 PolarHBondContact O-OG 2.99Å; Q224-S227 WeakPolarHBondContact O-CB 3.45Å; Q224-S227 PolarHBondContact O-N 3.43Å; W225-S227 VanDerWaalsContact C-N 3.3Å; W225-S227 PolarHBondContact O-N 3.48Å
228L90.9Very high78.3Confident121 Ų12189.3 Ų89.363%0.63448%0.478SS*.Hα-helixtrans-86.5-39.3179.8-68.2172.9000113.1Q224 W225 A226Q224-L228 WeakPolarHBondContact O-CG 3.44Å; Q224-L228 PolarHBondContact O-N 3.37Å; W225-L228 HydrophobicContact CE3-CD1 4.01Å; W225-L228 HydrophobicContact CZ3-CD1 4.28Å; W225-L228 PolarHBondContact O-N 2.92Å; W225-L228 VanDerWaalsContact O-N 3.13Å; A226-L228 PolarHBondContact O-N 3.4Å
229Y91.2Very high75.5Confident25 Ų2592 Ų9210%0.09850%0.497CS..Hα-helixtrans-119-22.4-166.9-70.3-73.3000114.9M30 P31 V33 W78 V80 L89 L204 W225 A226 P231M30-Y229 HydrophobicContact CB-CD1 4.33Å; M30-Y229 HydrophobicContact CB-CE1 4.28Å; M30-Y229 HydrophobicContact SD-CD1 3.77Å; P31-Y229 WeakPolarHBondContact O-CE1 3.34Å; P31-Y229 PolarHBondContact O-OH 2.89Å; V33-Y229 HydrophobicContact CG2-CD1 4.24Å; V33-Y229 HydrophobicContact CG2-CE1 3.71Å; W78-Y229 HydrophobicContact CH2-CD1 4.12Å; W78-Y229 HydrophobicContact CH2-CD2 4.16Å; W78-Y229 AromaticContact CH2-CG 3.83Å; W78-Y229 HydrophobicContact CH2-CG 3.83Å; W78-Y229 HydrophobicContact CZ3-CD1 4.21Å; W78-Y229 HydrophobicContact CZ3-CD2 4.47Å; W78-Y229 HydrophobicContact CZ3-CE1 4.38Å; W78-Y229 HydrophobicContact CZ3-CG 4.27Å; V80-Y229 HydrophobicContact CG1-CE2 4.45Å; V80-Y229 WeakPolarHBondContact CG1-OH 3.44Å; V80-Y229 HydrophobicContact CG2-CE1 4.31Å; V80-Y229 HydrophobicContact CG2-CE2 3.74Å; V80-Y229 WeakPolarHBondContact CG2-OH 3.49Å; L89-Y229 HydrophobicContact CD2-CD2 3.66Å; L89-Y229 HydrophobicContact CD2-CE2 3.77Å; L204-Y229 WeakPolarHBondContact CD1-O 3.46Å; W225-Y229 HydrophobicContact CE3-CD2 4.06Å; W225-Y229 AromaticContact CE3-CE2 3.8Å; W225-Y229 HydrophobicContact CE3-CE2 3.8Å; W225-Y229 AromaticContact CZ3-CE2 3.84Å; W225-Y229 HydrophobicContact CZ3-CE2 3.84Å; W225-Y229 PolarHBondContact O-N 3.39Å; A226-Y229 PolarHBondContact O-N 3.48Å; Y229-P231 WeakPolarHBondContact O-CD 3.49Å
230Q86Confident72.7Confident74 Ų7497.6 Ų97.635%0.34652%0.519SS..SBendtrans-64.7129-177.2-169.1176.4-14.300109.4L206 A226 I233L206-Q230 HydrophobicContact CD1-CB 3.98Å; A226-Q230 HydrophobicContact CB-CB 4.34Å; A226-Q230 WeakPolarHBondContact O-CA 3.22Å; A226-Q230 WeakPolarHBondContact O-CB 3.3Å; A226-Q230 PolarHBondContact O-N 3.01Å; Q230-I233 HydrophobicContact CG-CD1 4.07Å
231P80.1Confident69.8Low52 Ų5296.6 Ų96.634%0.33851%0.511SS..  trans-58.6148.4174.3-22.433.7000110.3L204 Y229 I233L204-P231 HydrophobicContact CD1-CG 4.1Å; L204-P231 HydrophobicContact CG-CG 4.27Å; Y229-P231 WeakPolarHBondContact O-CD 3.49Å; P231-I233 VanDerWaalsContact C-N 3.25Å; P231-I233 HydrophobicContact CB-CD1 4.44Å; P231-I233 HydrophobicContact CB-CG1 4.33Å; P231-I233 WeakPolarHBondContact O-CD1 3.49Å; P231-I233 WeakPolarHBondContact O-CG1 3.28Å; P231-I233 PolarHBondContact O-N 3.37Å
232L70.8Confident66.8Low185 Ų18597.1 Ų97.197%0.96952%0.518SS*.  trans-65.389.3172-65.6176.2000109.2
233I64.1Low64.2Low73 Ų73103.5 Ų103.537%0.37456%0.562SS.*  trans-94137173.9-58.8138.8000106.3T202 Q230 P231 S235T202-I233 HydrophobicContact CG2-CD1 3.21Å; T202-I233 HydrophobicContact CG2-CG1 3.68Å; T202-I233 HydrophobicContact CG2-CG2 4.46Å; Q230-I233 HydrophobicContact CG-CD1 4.07Å; P231-I233 VanDerWaalsContact C-N 3.25Å; P231-I233 HydrophobicContact CB-CD1 4.44Å; P231-I233 HydrophobicContact CB-CG1 4.33Å; P231-I233 WeakPolarHBondContact O-CD1 3.49Å; P231-I233 WeakPolarHBondContact O-CG1 3.28Å; P231-I233 PolarHBondContact O-N 3.37Å; I233-S235 VanDerWaalsContact C-N 3.28Å; I233-S235 PolarHBondContact O-N 2.81Å
234F50.5Low61.6Low192 Ų192103.3 Ų103.384%0.84258%0.579SS**  trans-64.795.2168-171.5-92.6000107.7N236F234-N236 PolarHBondContact O-N 3.2Å
235S49.3Very low58.9Low85 Ų85100.4 Ų100.459%0.59458%0.578SS**  trans-71.3116172.8-169.70000107.1I233 E237I233-S235 VanDerWaalsContact C-N 3.28Å; I233-S235 PolarHBondContact O-N 2.81Å; S235-E237 PolarHBondContact O-N 3.45Å
236N39.9Very low56.2Low131 Ų131105.9 Ų105.970%0.70161%0.609SS**  trans-7381.7156.9-168.653.6000104.8F234 V238F234-N236 PolarHBondContact O-N 3.2Å; N236-V238 VanDerWaalsContact C-N 3.27Å; N236-V238 PolarHBondContact O-N 3.27Å
237E40.7Very low53.7Low140 Ų140110.2 Ų110.265%0.65463%0.633SS**  trans-52.3103.1166.6-76.3-169.8159.900105.9S235 S239S235-E237 PolarHBondContact O-N 3.45Å; E237-S239 PolarHBondContact O-N 3.3Å; E237-S239 PolarHBondContact O-OG 3.47Å
238V40.8Very low51.6Low116 Ų116114.9 Ų114.970%0.70364%0.641SS**  trans-62.297.1158172.40000102.9N236 Q240N236-V238 VanDerWaalsContact C-N 3.27Å; N236-V238 PolarHBondContact O-N 3.27Å; V238-Q240 PolarHBondContact O-N 2.82Å
239S34.2Very low49.6Very low83 Ų83115 Ų11558%0.5864%0.642SS**  trans-62.383.2179.8-43.70000108.3E237 T241E237-S239 PolarHBondContact O-N 3.3Å; E237-S239 PolarHBondContact O-OG 3.47Å; S239-T241 PolarHBondContact O-N 3.11Å
240Q37.6Very low48Very low156 Ų156120.5 Ų120.573%0.72967%0.673SS**  trans-83.637.6144.5-68.6-175.615.700108.7V238V238-Q240 PolarHBondContact O-N 2.82Å
241T33.5Very low46.8Very low81 Ų81125.8 Ų125.850%0.49770%0.695SS.*SBendtrans-73.2121.7152.554.10000105.3S239S239-T241 PolarHBondContact O-N 3.11Å
242D32.7Very low45.9Very low139 Ų139129.3 Ų129.374%0.74371%0.71SS**  trans-19137.7171.7-64.7-51.6000115A244 A245D242-A244 PolarHBondContact O-N 2.68Å; D242-A245 PolarHBondContact O-N 2.89Å
243S39Very low45.7Very low138 Ų138123.4 Ų123.497%0.96568%0.679SS**THydrogen-bonded Turntrans-56.874.4157.7-172.60000109.7
244A39.7Very low45.5Very low96 Ų96125 Ų12579%0.79370%0.695SS**THydrogen-bonded Turntrans-179.9-4.8174.600000114.1D242D242-A244 PolarHBondContact O-N 2.68Å
245A36.9Very low46.2Very low71 Ų71121 Ų12159%0.58769%0.686SS**  trans-99.998.4176.400000110.8D242 V247D242-A245 PolarHBondContact O-N 2.89Å; A245-V247 PolarHBondContact O-N 2.74Å
246D37.4Very low46.9Very low142 Ų142124.5 Ų124.576%0.75969%0.69SS**  trans-43.3131.3171.5-139.6-15000110.9F248D246-F248 PolarHBondContact O-N 3.15Å
247V40.6Very low48Very low109 Ų109120.8 Ų120.866%0.66168%0.678SS**  trans-54.6100.8179.3172.80000108.8A245 L249A245-V247 PolarHBondContact O-N 2.74Å; V247-L249 HydrophobicContact CG1-CB 4.08Å; V247-L249 HydrophobicContact CG1-CD1 3.6Å; V247-L249 HydrophobicContact CG1-CG 3.49Å; V247-L249 VanDerWaalsContact CG1-CG 3.49Å; V247-L249 PolarHBondContact O-N 3.01Å
248F47.9Very low49.1Very low204 Ų204123 Ų12390%0.89569%0.686SS**  trans-73.762.9168.6-92.3-85.5000109.7D246 N250D246-F248 PolarHBondContact O-N 3.15Å; F248-N250 PolarHBondContact O-N 3.43Å
249L47.9Very low50Low123 Ų123127.9 Ų127.964%0.64469%0.692SS**  trans-63.8114.2156.7-86.6163.7000106.5V247 K251V247-L249 HydrophobicContact CG1-CB 4.08Å; V247-L249 HydrophobicContact CG1-CD1 3.6Å; V247-L249 HydrophobicContact CG1-CG 3.49Å; V247-L249 VanDerWaalsContact CG1-CG 3.49Å; V247-L249 PolarHBondContact O-N 3.01Å; L249-K251 HydrophobicContact CB-CG 4.47Å; L249-K251 PolarHBondContact O-N 2.91Å
250N58.5Low50.9Low141 Ų141126.9 Ų126.975%0.75470%0.695SS**  trans-64.586.5173.6-146.3-13.4000108.3F248 L252F248-N250 PolarHBondContact O-N 3.43Å; N250-L252 PolarHBondContact O-N 3.25Å
251K59.9Low51.8Low185 Ų185129.7 Ų129.780%0.80470%0.704SS**  trans-76.968.2178.7-66.8-156.7-176.6-174.30110L249 D253L249-K251 HydrophobicContact CB-CG 4.47Å; L249-K251 PolarHBondContact O-N 2.91Å; K251-D253 PolarHBondContact O-N 2.94Å
252L61.9Low52.5Low126 Ų126130.5 Ų130.566%0.6672%0.719SS**  trans-70.199.8162.9-68.7173.9000107.5N250 P254N250-L252 PolarHBondContact O-N 3.25Å; L252-P254 VanDerWaalsContact O-CD 3.23Å; L252-P254 WeakPolarHBondContact O-CD 3.25Å
253D66.4Low53.1Low61 Ų61133.6 Ų133.633%0.32673%0.726SS.*  trans-63.2113.9171.6178.8-8.7000108.8K251 T255 K256 A257K251-D253 PolarHBondContact O-N 2.94Å; D253-T255 PolarHBondContact O-N 3.31Å; D253-T255 WeakPolarHBondContact OD1-CB 3.38Å; D253-T255 PolarHBondContact OD1-N 3.27Å; D253-T255 PolarHBondContact OD1-OG1 3.11Å; D253-T255 PolarHBondContact OD2-OG1 3.36Å; D253-K256 HydrophobicContact CB-CB 4.2Å; D253-K256 HydrophobicContact CB-CD 4.28Å; D253-K256 HydrophobicContact CB-CG 4.26Å; D253-K256 PolarHBondContact O-N 2.89Å; D253-K256 WeakPolarHBondContact OD2-CE 3.35Å; D253-A257 PolarHBondContact O-N 2.88Å
254P61Low53.4Low107 Ų107131.2 Ų131.270%0.69572%0.715SS**Hα-helixtrans-58.1-23.2-178.1-22.332.9000112.9L252L252-P254 VanDerWaalsContact O-CD 3.23Å; L252-P254 WeakPolarHBondContact O-CD 3.25Å
255T64.9Low53.7Low108 Ų108132.1 Ų132.166%0.66371%0.713SS**Hα-helixtrans-81-15.5178.371.30000113.4D253D253-T255 PolarHBondContact O-N 3.31Å; D253-T255 WeakPolarHBondContact OD1-CB 3.38Å; D253-T255 PolarHBondContact OD1-N 3.27Å; D253-T255 PolarHBondContact OD1-OG1 3.11Å; D253-T255 PolarHBondContact OD2-OG1 3.36Å
256K63.7Low54.2Low157 Ų157134.1 Ų134.168%0.68372%0.72SS**Hα-helixtrans-108.2-22.8178.2-64.7-177.8-174.7175.40113.5D253 F258D253-K256 HydrophobicContact CB-CB 4.2Å; D253-K256 HydrophobicContact CB-CD 4.28Å; D253-K256 HydrophobicContact CB-CG 4.26Å; D253-K256 PolarHBondContact O-N 2.89Å; D253-K256 WeakPolarHBondContact OD2-CE 3.35Å; K256-F258 VanDerWaalsContact C-N 3.3Å; K256-F258 PolarHBondContact O-N 2.7Å
257A62.9Low54.3Low54 Ų54133.5 Ų133.545%0.44672%0.723SS.*Hα-helixtrans-67.7-26.8-179.100000113.6D253D253-A257 PolarHBondContact O-N 2.88Å
258F64.8Low54.2Low186 Ų186138.3 Ų138.382%0.81674%0.735SS**THydrogen-bonded Turntrans-122.760.1180-61.7-80.9000112.2K256 G260K256-F258 VanDerWaalsContact C-N 3.3Å; K256-F258 PolarHBondContact O-N 2.7Å; F258-G260 PolarHBondContact O-N 3.33Å
259R59.6Low53.6Low219 Ų219138.5 Ų138.583%0.82674%0.736SS**  trans-71.785.6159.7-81.1-84.3-167.4-164.1-1108.5K261R259-K261 PolarHBondContact O-N 2.88Å
260G53.1Low52.9Low62 Ų62142.5 Ų142.564%0.63975%0.748SS**  trans-52.3134.6160.400000108.9F258 A262F258-G260 PolarHBondContact O-N 3.33Å; G260-A262 PolarHBondContact O-N 3.48Å
261K56.2Low51.6Low215 Ų215144.2 Ų144.294%0.93575%0.751SS**  trans-63.288175-74.6-162.1176.1-177.40109.3R259 K263R259-K261 PolarHBondContact O-N 2.88Å; K261-K263 PolarHBondContact O-N 2.91Å
262A47.9Very low50.1Low98 Ų98140.8 Ų140.881%0.8175%0.751SS**  trans-69.8113.7167.200000107.9G260 A264G260-A262 PolarHBondContact O-N 3.48Å; A262-A264 PolarHBondContact O-N 3.46Å
263K44.6Very low48.5Very low203 Ų203139.1 Ų139.188%0.88376%0.755SS**  trans-41.2125.2174.1-135.7170.2-178.5175.50110.9K261K261-K263 PolarHBondContact O-N 2.91Å
264A46Very low46.8Very low88 Ų88144.6 Ų144.673%0.72778%0.779SS**PPolyproline II helixtrans-59132.9169.600000109.7A262A262-A264 PolarHBondContact O-N 3.46Å
265P44.9Very low45.1Very low116 Ų116144.2 Ų144.275%0.75378%0.778SS**PPolyproline II helixtrans-69.3141.6177.426.1-31.1000110.6
266P47.5Very low43.3Very low113 Ų113146.2 Ų146.273%0.73478%0.784SS**PPolyproline II helixtrans-69.1146.3-178.127.7-33.4000111.6K268P266-K268 PolarHBondContact O-N 3.03Å
267P41Very low41.6Very low129 Ų129143.8 Ų143.884%0.83879%0.787SS**PPolyproline II helixtrans-65.6127.7177.626-32.2000110.7K269P267-K269 PolarHBondContact O-N 3.11Å
268K37.6Very low39.9Very low210 Ų210145.3 Ų145.391%0.91381%0.808SS**  trans-68.1115.5176.2-71.4-177.8177.2178.90110.1P266P266-K268 PolarHBondContact O-N 3.03Å
269K35.3Very low38.2Very low207 Ų207140.3 Ų140.390%0.981%0.809SS**  trans-61.9127.5160.5-91.1179.1173.8175.50109.4P267P267-K269 PolarHBondContact O-N 3.11Å
270K33.3Very low36.7Very low207 Ų207135 Ų13590%0.981%0.812SS**  trans-114109.1159.1-154.9177.3-177.1-175.50107.7
271Q31.4Very low35.8Very low177 Ų177137.1 Ų137.183%0.82782%0.823SS**  trans-74.7154.6157.2-83.7174.3-23.200107.5
272S27.8Very low34.6Very low113 Ų113137.3 Ų137.379%0.7982%0.824SS**  cis-165-176.79.450.40000108.7
273A29.4Very low33.9Very low92 Ų92135.8 Ų135.876%0.7682%0.818SS**  trans103.5126.7166.400000114
274Q30.4Very low33.4Very low176 Ų176136.1 Ų136.182%0.82282%0.823SS**  cis-166.5148.53.9-153.6170.8-12.300109.6
275C24.9Very low32.6Very low99 Ų99135.3 Ų135.367%0.66982%0.824SS**  trans47.8131148.7-74.40000124.9
276N26.2Very low32Very low150 Ų150135 Ų13580%0.80282%0.824SS**  trans69141.2136.3-75.520000118.3
277S29Very low31.5Very low106 Ų106136.1 Ų136.174%0.74183%0.829SS**  cis-174.3143.85.438.80000108.5
278G26.9Very low31.1Very low85 Ų85134 Ų13488%0.87683%0.831SS**  trans83.5136.3141.800000118.9
279G28.8Very low31Very low82 Ų82134.8 Ų134.885%0.84583%0.828SS**  trans129.898.6150.100000115.7
280A29.1Very low31Very low106 Ų106133.7 Ų133.788%0.87683%0.826SS**  trans-59.4155.9177.300000115.8
281A33.5Very low31.1Very low107 Ų107127.7 Ų127.788%0.88482%0.823SS**  -171.6148.5120.500000112.2
282K31.6Very low31Very low219 Ų219122.9 Ų122.995%0.95282%0.82SS**  trans-78.4161.2-170.3-76.7172.3163.4175.10114.9
283G31.7Very low31.5Very low67 Ų67122.1 Ų122.169%0.69182%0.821SS**  trans163.592.5147.900000110.5
284Q34.2Very low31.9Very low209 Ų209127.6 Ų127.698%0.97783%0.828SS**  39.312596.9-83.9-178-2700113.1
285G30.1Very low32.5Very low72 Ų72134.2 Ų134.274%0.74285%0.845SS**  cis165.7167.56.600000109.6
286S33.2Very low32.9Very low108 Ų108136 Ų13676%0.75585%0.854SS**  trans65.6105158.4-153.10000118.5
287T36.7Very low33.3Very low138 Ų138135.3 Ų135.385%0.84786%0.857SS**  42.8122.876.162.80000116.4
288G32.6Very low33.5Very low85 Ų85136.9 Ų136.988%0.87686%0.863SS**  trans-172.6112.6166.900000111.7
289R34.6Very low33.9Very low226 Ų226139.9 Ų139.985%0.85386%0.862SS**  trans-107.2170.6178.3-164.7-179.4-176.8-173.51.1108.5
290H36.5Very low34.2Very low184 Ų184143.6 Ų143.685%0.85286%0.863SS**  trans97.7134.1176.7-58.5-56.6000113
291G33.8Very low34.5Very low81 Ų81146.1 Ų146.184%0.83586%0.863SS**  cis119.9125.121.600000108
292G30.8Very low34.6Very low76 Ų76148.9 Ų148.978%0.78486%0.861SS**  trans141.7105.6167.700000117.1
293A38.2Very low34.9Very low97 Ų97143.5 Ų143.580%0.80285%0.854SS**  39.2153125.800000124.3
294K37.9Very low35.1Very low207 Ų207149.8 Ų149.890%0.987%0.868SS**  trans88.4129.4169.1-59.6-179.6176.4177.70112.9
295R42.8Very low35.2Very low315 Ų315144.5 Ų144.5100%1.18986%0.858SS**  cis-155.8031.7-155.7178.9-165.6-179.32.9109.9

Retrieved 295 of 295 residues in 156.3 ms (Link to these results)

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