A0A5K4FBW6_SCHMA Loading...

MHD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 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
1M85.7Confident88.9Confident65 Ų6592 Ų9232%0.3245%0.452SS..  0-700-58.7-43.1-174.700113.8D3 Y4 F5 V8 I20 I23M1-D3 PolarHBondContact O-N 2.94Å; M1-Y4 PolarHBondContact O-N 2.81Å; M1-F5 HydrophobicContact CB-CE1 4.28Å; M1-F5 HydrophobicContact CB-CE2 4.18Å; M1-F5 HydrophobicContact CB-CZ 3.66Å; M1-F5 HydrophobicContact CG-CZ 3.99Å; M1-F5 PolarHBondContact O-N 3.33Å; M1-F5 VanDerWaalsContact O-N 3.11Å; M1-F5 HydrophobicContact SD-CE1 3.57Å; M1-F5 VanDerWaalsContact SD-CE1 3.57Å; M1-F5 HydrophobicContact SD-CZ 3.53Å; M1-F5 VanDerWaalsContact SD-CZ 3.53Å; M1-V8 HydrophobicContact CB-CG2 4.02Å; M1-I20 HydrophobicContact CE-CB 3.92Å; M1-I20 HydrophobicContact CE-CD1 4.46Å; M1-I20 HydrophobicContact CE-CG1 3.63Å; M1-I20 HydrophobicContact CE-CG2 3.59Å; M1-I20 HydrophobicContact SD-CG1 3.92Å; M1-I23 HydrophobicContact CE-CB 4.5Å; M1-I23 HydrophobicContact CE-CG2 4.25Å; M1-I23 HydrophobicContact SD-CD1 4.09Å
2K88.8Confident89.1Confident154 Ų15487.6 Ų87.667%0.6743%0.432SS*.Hα-helixtrans-55.4-39.7-179.2-71.4-176.1178.8174.30113.1Y4 G6 V8K2-Y4 PolarHBondContact O-N 2.86Å; K2-G6 VanDerWaalsContact CA-O 3.26Å; K2-G6 WeakPolarHBondContact CA-O 3.49Å; K2-G6 WeakPolarHBondContact CG-O 3.29Å; K2-G6 WeakPolarHBondContact O-CA 3.38Å; K2-G6 PolarHBondContact O-N 2.73Å; K2-V8 HydrophobicContact CG-CG2 3.86Å
3D84.7Confident89.4Confident94 Ų9487.1 Ų87.150%0.50343%0.431SS..Hα-helixtrans-70.5-19.8178.3-63.2-6.1000113.7M1 T38 K42M1-D3 PolarHBondContact O-N 2.94Å; D3-T38 HydrophobicContact CB-CG2 4.12Å; D3-T38 WeakPolarHBondContact OD2-CG2 3.4Å; D3-T38 PolarHBondContact OD2-OG1 2.81Å; D3-K42 WeakPolarHBondContact O-CE 3.13Å; D3-K42 PolarHBondContact O-NZ 2.91Å
4Y84Confident89.7Confident26 Ų2689.9 Ų89.910%0.10244%0.439CS..Hα-helixtrans-87.6-47.7179.6-90-89.4000112.2M1 K2 L19 I23 L41 K42 I45M1-Y4 PolarHBondContact O-N 2.81Å; K2-Y4 PolarHBondContact O-N 2.86Å; Y4-L19 HydrophobicContact CD1-CD1 4.12Å; Y4-L19 HydrophobicContact CD1-CD2 3.83Å; Y4-L19 HydrophobicContact CD1-CG 4.44Å; Y4-L19 HydrophobicContact CE1-CD1 3.97Å; Y4-L19 HydrophobicContact CG-CD2 4.3Å; Y4-I23 HydrophobicContact CD1-CD1 4.28Å; Y4-I23 HydrophobicContact CD2-CD1 3.71Å; Y4-I23 HydrophobicContact CE1-CD1 4.27Å; Y4-I23 HydrophobicContact CE2-CD1 3.69Å; Y4-I23 HydrophobicContact CE2-CG1 4.24Å; Y4-I23 HydrophobicContact CG-CD1 3.98Å; Y4-L41 HydrophobicContact CE2-CB 4.41Å; Y4-L41 WeakPolarHBondContact OH-CB 3.41Å; Y4-L41 PolarHBondContact OH-O 3.28Å; Y4-K42 HydrophobicContact CD1-CG 4.38Å; Y4-K42 HydrophobicContact CE1-CG 3.75Å; Y4-K42 HydrophobicContact CE2-CG 4.03Å; Y4-K42 WeakPolarHBondContact OH-CA 3.41Å; Y4-K42 PolarHBondContact OH-N 2.79Å; Y4-K42 VanDerWaalsContact OH-N 3.17Å; Y4-I45 PolarHBondContact OH-O 3.37Å
5F85Confident89.8Confident31 Ų3191.4 Ų91.414%0.13645%0.45CS..Hα-helixtrans-13617.3-172.248.4-103.2000113.8M1 R7 V8 N12 N16 L19 I20M1-F5 HydrophobicContact CB-CE1 4.28Å; M1-F5 HydrophobicContact CB-CE2 4.18Å; M1-F5 HydrophobicContact CB-CZ 3.66Å; M1-F5 HydrophobicContact CG-CZ 3.99Å; M1-F5 PolarHBondContact O-N 3.33Å; M1-F5 VanDerWaalsContact O-N 3.11Å; M1-F5 HydrophobicContact SD-CE1 3.57Å; M1-F5 VanDerWaalsContact SD-CE1 3.57Å; M1-F5 HydrophobicContact SD-CZ 3.53Å; M1-F5 VanDerWaalsContact SD-CZ 3.53Å; F5-R7 PolarHBondContact O-N 2.63Å; F5-V8 HydrophobicContact CE2-CG2 4.21Å; F5-N12 HydrophobicContact CD2-CB 4.09Å; F5-N12 HydrophobicContact CE2-CB 4.33Å; F5-N16 HydrophobicContact CD1-CB 4.23Å; F5-N16 HydrophobicContact CE1-CB 4.34Å; F5-L19 HydrophobicContact CD1-CD2 4.16Å; F5-L19 HydrophobicContact CE1-CD2 4.48Å; F5-I20 HydrophobicContact CE1-CD1 4.37Å; F5-I20 HydrophobicContact CE1-CG1 4.15Å; F5-I20 HydrophobicContact CZ-CD1 4.14Å; F5-I20 HydrophobicContact CZ-CG1 4.32Å
6G86.7Confident89.8Confident43 Ų4387.9 Ų87.944%0.44343%0.434SS..SBendtrans77.4-102.9171.800000113.5K2K2-G6 VanDerWaalsContact CA-O 3.26Å; K2-G6 WeakPolarHBondContact CA-O 3.49Å; K2-G6 WeakPolarHBondContact CG-O 3.29Å; K2-G6 WeakPolarHBondContact O-CA 3.38Å; K2-G6 PolarHBondContact O-N 2.73Å
7R88.2Confident89.9Confident203 Ų20389.6 Ų89.677%0.76644%0.439SS*.SBendtrans-76.7141.7-178.7-72.2-173.4177.9-1710.6110.3F5 T9 N12F5-R7 PolarHBondContact O-N 2.63Å; R7-T9 HydrophobicContact CB-CG2 4.31Å; R7-N12 PolarHBondContact O-ND2 3.15Å
8V91.2Very high90Very high73 Ų7389.2 Ų89.244%0.44244%0.442SS..  trans-99.797.9172.9-175.20000107.2M1 K2 F5 I13M1-V8 HydrophobicContact CB-CG2 4.02Å; K2-V8 HydrophobicContact CG-CG2 3.86Å; F5-V8 HydrophobicContact CE2-CG2 4.21Å; V8-I13 HydrophobicContact CG1-CD1 4.16Å; V8-I13 HydrophobicContact CG1-CG1 4.39Å
9T93.6Very high90Very high57 Ų5785.1 Ų85.135%0.3542%0.421SS..  trans-122.3161.7176.358.40000108.9R7 E11 N12 I13R7-T9 HydrophobicContact CB-CG2 4.31Å; T9-E11 PolarHBondContact O-N 2.91Å; T9-N12 PolarHBondContact O-N 2.91Å; T9-N12 VanDerWaalsContact O-N 3.14Å; T9-N12 WeakPolarHBondContact OG1-CB 3.05Å; T9-N12 PolarHBondContact OG1-N 3.3Å; T9-I13 WeakPolarHBondContact O-CG1 3.47Å; T9-I13 PolarHBondContact O-N 3.08Å
10E95.7Very high90Very high135 Ų13581.9 Ų81.963%0.63141%0.406SS*.Hα-helixtrans-54.1-43.8175.8-173-173.2159.900111.7I13 K14E10-I13 PolarHBondContact O-N 3.44Å; E10-K14 PolarHBondContact O-N 3.27Å; E10-K14 VanDerWaalsContact OE1-CE 3.24Å; E10-K14 WeakPolarHBondContact OE1-CE 3.44Å; E10-K14 IonicContact OE1-NZ 2.91Å; E10-K14 PolarHBondContact OE1-NZ 2.79Å
11E93.8Very high90.1Very high131 Ų13185.7 Ų85.761%0.61242%0.417SS*.Hα-helixtrans-58.5-48.4175.8-176.7-177176.300112.2T9 I13 K14 N15T9-E11 PolarHBondContact O-N 2.91Å; E11-I13 VanDerWaalsContact C-N 3.27Å; E11-I13 PolarHBondContact O-N 2.92Å; E11-K14 PolarHBondContact O-N 2.86Å; E11-N15 WeakPolarHBondContact O-CB 3.42Å; E11-N15 VanDerWaalsContact O-CG 3.28Å; E11-N15 PolarHBondContact O-N 2.83Å; E11-N15 PolarHBondContact O-ND2 2.77Å
12N91.3Very high90.4Very high39 Ų3987.2 Ų87.221%0.20942%0.423CS..Hα-helixtrans-65.9-32.2-179.8-76.62.4000112.1F5 R7 T9 N16F5-N12 HydrophobicContact CD2-CB 4.09Å; F5-N12 HydrophobicContact CE2-CB 4.33Å; R7-N12 PolarHBondContact O-ND2 3.15Å; T9-N12 PolarHBondContact O-N 2.91Å; T9-N12 VanDerWaalsContact O-N 3.14Å; T9-N12 WeakPolarHBondContact OG1-CB 3.05Å; T9-N12 PolarHBondContact OG1-N 3.3Å; N12-N16 WeakPolarHBondContact O-CB 3.49Å; N12-N16 PolarHBondContact O-N 2.84Å; N12-N16 VanDerWaalsContact O-N 3.17Å; N12-N16 PolarHBondContact O-ND2 3.39Å
13I93.4Very high90.5Very high81 Ų8180.3 Ų80.342%0.41539%0.394SS..Hα-helixtrans-65.7-50.4173.8-68171.5000110V8 T9 E10 E11 N15 N16 F17 I20V8-I13 HydrophobicContact CG1-CD1 4.16Å; V8-I13 HydrophobicContact CG1-CG1 4.39Å; T9-I13 WeakPolarHBondContact O-CG1 3.47Å; T9-I13 PolarHBondContact O-N 3.08Å; E10-I13 PolarHBondContact O-N 3.44Å; E11-I13 VanDerWaalsContact C-N 3.27Å; E11-I13 PolarHBondContact O-N 2.92Å; I13-N15 VanDerWaalsContact C-N 3.31Å; I13-N15 PolarHBondContact O-N 2.85Å; I13-N16 CarbonylContact O-C 3.58Å; I13-N16 PolarHBondContact O-N 2.8Å; I13-F17 PolarHBondContact O-N 3.28Å; I13-F17 VanDerWaalsContact O-N 3.12Å; I13-I20 HydrophobicContact CB-CD1 4.14Å; I13-I20 HydrophobicContact CG1-CD1 4.19Å; I13-I20 HydrophobicContact CG2-CD1 3.94Å
14K93.8Very high90.8Very high126 Ų12679.8 Ų79.855%0.54839%0.39SS..Hα-helixtrans-59.6-41.4179.1-71.9179.4-175.1170.40112.1E10 E11 N16 F17E10-K14 PolarHBondContact O-N 3.27Å; E10-K14 VanDerWaalsContact OE1-CE 3.24Å; E10-K14 WeakPolarHBondContact OE1-CE 3.44Å; E10-K14 IonicContact OE1-NZ 2.91Å; E10-K14 PolarHBondContact OE1-NZ 2.79Å; E11-K14 PolarHBondContact O-N 2.86Å; K14-N16 VanDerWaalsContact C-N 3.32Å; K14-N16 PolarHBondContact O-N 2.83Å; K14-F17 WeakPolarHBondContact O-CD1 3.23Å
15N91.6Very high91.2Very high113 Ų11384.9 Ų84.960%0.60442%0.419SS*.Hα-helixtrans-75.1-20-177.6-67.7-14.7000113.7E11 I13E11-N15 WeakPolarHBondContact O-CB 3.42Å; E11-N15 VanDerWaalsContact O-CG 3.28Å; E11-N15 PolarHBondContact O-N 2.83Å; E11-N15 PolarHBondContact O-ND2 2.77Å; I13-N15 VanDerWaalsContact C-N 3.31Å; I13-N15 PolarHBondContact O-N 2.85Å
16N89.5Confident91.4Very high36 Ų3687.7 Ų87.719%0.19343%0.433CS..THydrogen-bonded Turntrans-118.123.1-177.7-62.9-89.5000112.5F5 N12 I13 K14 V18 L19 I20 Q47F5-N16 HydrophobicContact CD1-CB 4.23Å; F5-N16 HydrophobicContact CE1-CB 4.34Å; N12-N16 WeakPolarHBondContact O-CB 3.49Å; N12-N16 PolarHBondContact O-N 2.84Å; N12-N16 VanDerWaalsContact O-N 3.17Å; N12-N16 PolarHBondContact O-ND2 3.39Å; I13-N16 CarbonylContact O-C 3.58Å; I13-N16 PolarHBondContact O-N 2.8Å; K14-N16 VanDerWaalsContact C-N 3.32Å; K14-N16 PolarHBondContact O-N 2.83Å; N16-V18 VanDerWaalsContact C-N 3.32Å; N16-V18 PolarHBondContact O-N 3.17Å; N16-L19 HydrophobicContact CB-CD2 4.49Å; N16-L19 WeakPolarHBondContact O-CB 3.35Å; N16-L19 PolarHBondContact O-N 2.81Å; N16-I20 HydrophobicContact CB-CD1 4.38Å; N16-I20 VanDerWaalsContact O-CG1 3.3Å; N16-I20 WeakPolarHBondContact O-CG1 3.38Å; N16-I20 PolarHBondContact O-N 3.43Å; N16-Q47 PolarHBondContact OD1-NE2 3.23Å
17F92Very high91.7Very high117 Ų11786.4 Ų86.451%0.51342%0.416SS..Hα-helixtrans-58.6-39.6-170.876.9-85.5000113.3I13 K14 I20 Y21I13-F17 PolarHBondContact O-N 3.28Å; I13-F17 VanDerWaalsContact O-N 3.12Å; K14-F17 WeakPolarHBondContact O-CD1 3.23Å; F17-I20 WeakPolarHBondContact O-CB 3.22Å; F17-I20 PolarHBondContact O-N 3.47Å; F17-Y21 HydrophobicContact CB-CE2 4.47Å; F17-Y21 AromaticContact CD2-CD2 3.96Å; F17-Y21 HydrophobicContact CD2-CD2 3.96Å; F17-Y21 AromaticContact CD2-CE2 3.87Å; F17-Y21 HydrophobicContact CD2-CE2 3.87Å; F17-Y21 WeakPolarHBondContact O-CD2 3.33Å; F17-Y21 PolarHBondContact O-N 3.24Å
18V90.8Very high91.9Very high81 Ų8181 Ų8149%0.49140%0.402SS..Hα-helixtrans-59.1-52.3177.5179.80000110.8N16 I20 Y21 E22N16-V18 VanDerWaalsContact C-N 3.32Å; N16-V18 PolarHBondContact O-N 3.17Å; V18-I20 VanDerWaalsContact C-N 3.26Å; V18-I20 PolarHBondContact O-N 3.16Å; V18-Y21 PolarHBondContact O-N 2.77Å; V18-Y21 VanDerWaalsContact O-N 3.17Å; V18-E22 PolarHBondContact O-N 3.1Å
19L89.4Confident91.9Very high11 Ų1182.5 Ų82.56%0.05841%0.407CS..Hα-helixtrans-58.4-40.5175.8174.771.5000111.7Y4 F5 N16 Y21 E22 I23 I45 Q47Y4-L19 HydrophobicContact CD1-CD1 4.12Å; Y4-L19 HydrophobicContact CD1-CD2 3.83Å; Y4-L19 HydrophobicContact CD1-CG 4.44Å; Y4-L19 HydrophobicContact CE1-CD1 3.97Å; Y4-L19 HydrophobicContact CG-CD2 4.3Å; F5-L19 HydrophobicContact CD1-CD2 4.16Å; F5-L19 HydrophobicContact CE1-CD2 4.48Å; N16-L19 HydrophobicContact CB-CD2 4.49Å; N16-L19 WeakPolarHBondContact O-CB 3.35Å; N16-L19 PolarHBondContact O-N 2.81Å; L19-Y21 VanDerWaalsContact C-N 3.34Å; L19-E22 PolarHBondContact O-N 3.38Å; L19-I23 HydrophobicContact CD1-CD1 4.05Å; L19-I23 HydrophobicContact CD1-CG1 4.31Å; L19-I23 HydrophobicContact CD2-CD1 4.29Å; L19-I23 HydrophobicContact CG-CD1 3.77Å; L19-I23 HydrophobicContact CG-CG1 4.38Å; L19-I23 WeakPolarHBondContact O-CB 3.23Å; L19-I23 VanDerWaalsContact O-CG1 3.22Å; L19-I23 WeakPolarHBondContact O-CG1 3.41Å; L19-I23 PolarHBondContact O-N 3.27Å; L19-I45 HydrophobicContact CD1-CG2 3.46Å; L19-I45 VanDerWaalsContact CD1-CG2 3.46Å; L19-Q47 HydrophobicContact CD1-CG 4.31Å; L19-Q47 HydrophobicContact CD2-CG 3.64Å; L19-Q47 HydrophobicContact CG-CG 4.5Å
20I91.6Very high91.8Very high22 Ų2289.7 Ų89.711%0.11343%0.429CS..Hα-helixtrans-63.9-42.4179.3-71.5171000110.6M1 F5 I13 N16 F17 V18 I23 L24M1-I20 HydrophobicContact CE-CB 3.92Å; M1-I20 HydrophobicContact CE-CD1 4.46Å; M1-I20 HydrophobicContact CE-CG1 3.63Å; M1-I20 HydrophobicContact CE-CG2 3.59Å; M1-I20 HydrophobicContact SD-CG1 3.92Å; F5-I20 HydrophobicContact CE1-CD1 4.37Å; F5-I20 HydrophobicContact CE1-CG1 4.15Å; F5-I20 HydrophobicContact CZ-CD1 4.14Å; F5-I20 HydrophobicContact CZ-CG1 4.32Å; I13-I20 HydrophobicContact CB-CD1 4.14Å; I13-I20 HydrophobicContact CG1-CD1 4.19Å; I13-I20 HydrophobicContact CG2-CD1 3.94Å; N16-I20 HydrophobicContact CB-CD1 4.38Å; N16-I20 VanDerWaalsContact O-CG1 3.3Å; N16-I20 WeakPolarHBondContact O-CG1 3.38Å; N16-I20 PolarHBondContact O-N 3.43Å; F17-I20 WeakPolarHBondContact O-CB 3.22Å; F17-I20 PolarHBondContact O-N 3.47Å; V18-I20 VanDerWaalsContact C-N 3.26Å; V18-I20 PolarHBondContact O-N 3.16Å; I20-I23 PolarHBondContact O-N 2.74Å; I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 HydrophobicContact CG2-CG 4.36Å; I20-L24 WeakPolarHBondContact O-CB 3.3Å; I20-L24 VanDerWaalsContact O-CG 3.24Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 2.72Å
21Y91.8Very high91.6Very high161 Ų16186.5 Ų86.563%0.63143%0.433SS*.Hα-helixtrans-61.4-47.7175.2-79.1-63.5000111.6F17 V18 L19 I23 L24 D25F17-Y21 HydrophobicContact CB-CE2 4.47Å; F17-Y21 AromaticContact CD2-CD2 3.96Å; F17-Y21 HydrophobicContact CD2-CD2 3.96Å; F17-Y21 AromaticContact CD2-CE2 3.87Å; F17-Y21 HydrophobicContact CD2-CE2 3.87Å; F17-Y21 WeakPolarHBondContact O-CD2 3.33Å; F17-Y21 PolarHBondContact O-N 3.24Å; V18-Y21 PolarHBondContact O-N 2.77Å; V18-Y21 VanDerWaalsContact O-N 3.17Å; L19-Y21 VanDerWaalsContact C-N 3.34Å; Y21-I23 VanDerWaalsContact C-N 3.34Å; Y21-I23 PolarHBondContact O-N 3.21Å; Y21-L24 PolarHBondContact O-N 3.36Å; Y21-D25 WeakPolarHBondContact O-CB 3.02Å; Y21-D25 PolarHBondContact O-N 3Å
22E90.6Very high91.5Very high97 Ų9787.9 Ų87.945%0.45343%0.434SS..Hα-helixtrans-59.2-44176.4-70.1176.4170.400112V18 L19 L24 D25 E26 I45V18-E22 PolarHBondContact O-N 3.1Å; L19-E22 PolarHBondContact O-N 3.38Å; E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 2.81Å; E22-D25 PolarHBondContact O-N 2.79Å; E22-E26 WeakPolarHBondContact O-CB 3.48Å; E22-E26 PolarHBondContact O-N 2.83Å; E22-I45 HydrophobicContact CB-CD1 4.47Å; E22-I45 HydrophobicContact CB-CG2 3.89Å; E22-I45 WeakPolarHBondContact OE2-CG2 3.31Å
23I91.1Very high91.5Very high10 Ų1089.1 Ų89.15%0.05146%0.455CS..Hα-helixtrans-61.3-44.8176.5-70.2168.3000110.7M1 Y4 L19 I20 Y21 E26 V27 I45M1-I23 HydrophobicContact CE-CB 4.5Å; M1-I23 HydrophobicContact CE-CG2 4.25Å; M1-I23 HydrophobicContact SD-CD1 4.09Å; Y4-I23 HydrophobicContact CD1-CD1 4.28Å; Y4-I23 HydrophobicContact CD2-CD1 3.71Å; Y4-I23 HydrophobicContact CE1-CD1 4.27Å; Y4-I23 HydrophobicContact CE2-CD1 3.69Å; Y4-I23 HydrophobicContact CE2-CG1 4.24Å; Y4-I23 HydrophobicContact CG-CD1 3.98Å; L19-I23 HydrophobicContact CD1-CD1 4.05Å; L19-I23 HydrophobicContact CD1-CG1 4.31Å; L19-I23 HydrophobicContact CD2-CD1 4.29Å; L19-I23 HydrophobicContact CG-CD1 3.77Å; L19-I23 HydrophobicContact CG-CG1 4.38Å; L19-I23 WeakPolarHBondContact O-CB 3.23Å; L19-I23 VanDerWaalsContact O-CG1 3.22Å; L19-I23 WeakPolarHBondContact O-CG1 3.41Å; L19-I23 PolarHBondContact O-N 3.27Å; I20-I23 PolarHBondContact O-N 2.74Å; Y21-I23 VanDerWaalsContact C-N 3.34Å; Y21-I23 PolarHBondContact O-N 3.21Å; I23-E26 PolarHBondContact O-N 2.74Å; I23-V27 HydrophobicContact CG2-CG1 4.19Å; I23-V27 HydrophobicContact CG2-CG2 4.41Å; I23-V27 WeakPolarHBondContact O-CB 3.49Å; I23-V27 VanDerWaalsContact O-CG1 3.29Å; I23-V27 WeakPolarHBondContact O-CG1 3.46Å; I23-V27 WeakPolarHBondContact O-CG2 3.24Å; I23-V27 PolarHBondContact O-N 3.06Å; I23-I45 HydrophobicContact CB-CD1 4.48Å; I23-I45 HydrophobicContact CG1-CD1 4.02Å; I23-I45 HydrophobicContact CG1-CG2 4.31Å
24L92.5Very high91.3Very high83 Ų8389.7 Ų89.744%0.43546%0.456SS..Hα-helixtrans-66.4-40.4-177.5-73.5174000112.2I20 Y21 E22 E26 I28I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 HydrophobicContact CG2-CG 4.36Å; I20-L24 WeakPolarHBondContact O-CB 3.3Å; I20-L24 VanDerWaalsContact O-CG 3.24Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 2.72Å; Y21-L24 PolarHBondContact O-N 3.36Å; E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 2.81Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-I28 PolarHBondContact O-N 2.8Å; L24-I28 VanDerWaalsContact O-N 3.09Å
25D90.8Very high90.8Very high132 Ų13286.6 Ų86.671%0.70645%0.445SS*.Hα-helixtrans-64-40.8177.3-157.152.2000111.2Y21 E22Y21-D25 WeakPolarHBondContact O-CB 3.02Å; Y21-D25 PolarHBondContact O-N 3Å; E22-D25 PolarHBondContact O-N 2.79Å
26E89.5Confident90.6Very high91 Ų9185.9 Ų85.943%0.42545%0.445SS..Hα-helixtrans-76.2-34.9-179.6-166.564.8-165.600113.2E22 I23 L24 Q34 L41 I45E22-E26 WeakPolarHBondContact O-CB 3.48Å; E22-E26 PolarHBondContact O-N 2.83Å; I23-E26 PolarHBondContact O-N 2.74Å; L24-E26 VanDerWaalsContact C-N 3.34Å; E26-Q34 WeakPolarHBondContact O-CB 3.18Å; E26-L41 HydrophobicContact CB-CD2 4.31Å; E26-L41 HydrophobicContact CG-CD2 3.79Å; E26-I45 HydrophobicContact CB-CD1 3.78Å; E26-I45 HydrophobicContact CG-CD1 4.14Å
27V92.8Very high90.3Very high16 Ų1685.7 Ų85.710%0.09744%0.444CS..Hα-helixtrans-87.3-20.2-175.5-62.90000113.9I23 Q34 T36 L41I23-V27 HydrophobicContact CG2-CG1 4.19Å; I23-V27 HydrophobicContact CG2-CG2 4.41Å; I23-V27 WeakPolarHBondContact O-CB 3.49Å; I23-V27 VanDerWaalsContact O-CG1 3.29Å; I23-V27 WeakPolarHBondContact O-CG1 3.46Å; I23-V27 WeakPolarHBondContact O-CG2 3.24Å; I23-V27 PolarHBondContact O-N 3.06Å; V27-Q34 PolarHBondContact O-N 2.85Å; V27-T36 HydrophobicContact CB-CG2 4.33Å; V27-L41 HydrophobicContact CG1-CD1 3.53Å; V27-L41 HydrophobicContact CG1-CD2 3.88Å; V27-L41 HydrophobicContact CG1-CG 4.36Å
28I93Very high89.9Confident89 Ų8982.2 Ų82.246%0.45643%0.433SS..EExtended strand (participates in β ladder)trans-136.8110.6179.4-61.3173.5000108.7L24 Y32L24-I28 PolarHBondContact O-N 2.8Å; L24-I28 VanDerWaalsContact O-N 3.09Å; I28-Y32 WeakPolarHBondContact CA-O 3.26Å
29D90.9Very high89.3Confident105 Ų10580.2 Ų80.256%0.56143%0.428SS*.EExtended strand (participates in β ladder)trans-107.7119.4172.3-174.88.6000109.4G31 Y32 Q34D29-G31 PolarHBondContact O-N 2.85Å; D29-Y32 PolarHBondContact N-O 3.21Å; D29-Y32 WeakPolarHBondContact O-CA 3.5Å; D29-Y32 WeakPolarHBondContact O-CB 3.18Å; D29-Y32 PolarHBondContact O-N 2.87Å; D29-Q34 HydrophobicContact CB-CG 4.02Å
30Y91.9Very high88.7Confident208 Ų20879.8 Ų79.882%0.81643%0.426SS*.THydrogen-bonded Turntrans49.833.9179.9-158.3-111.3000114.8Y32Y30-Y32 VanDerWaalsContact C-N 3.32Å; Y30-Y32 HydrophobicContact CD1-CE2 4.2Å
31G92.6Very high88.3Confident68 Ų6879.1 Ų79.170%0.70142%0.423SS*.THydrogen-bonded Turntrans85.2-3.2-178.300000114.9D29D29-G31 PolarHBondContact O-N 2.85Å
32Y91.1Very high87.9Confident160 Ų16076 Ų7663%0.62741%0.413SS*.EExtended strand (participates in β ladder)trans-90.1122.5172-60.6-78.5000110I28 D29 Y30 Q34I28-Y32 WeakPolarHBondContact CA-O 3.26Å; D29-Y32 PolarHBondContact N-O 3.21Å; D29-Y32 WeakPolarHBondContact O-CA 3.5Å; D29-Y32 WeakPolarHBondContact O-CB 3.18Å; D29-Y32 PolarHBondContact O-N 2.87Å; Y30-Y32 VanDerWaalsContact C-N 3.32Å; Y30-Y32 HydrophobicContact CD1-CE2 4.2Å; Y32-Q34 PolarHBondContact O-N 2.66Å; Y32-Q34 PolarHBondContact O-NE2 2.99Å
33G91.4Very high87.2Confident64 Ų6472.6 Ų72.666%0.6640%0.4SS*.EExtended strand (participates in β ladder)trans-64.8123.3173.100000110.4
34Q89.5Confident86.5Confident94 Ų9475.9 Ų75.944%0.43942%0.417SS..  trans-94-155.4174.7-57.4-56.8-30.600109.7E26 V27 D29 Y32 T36E26-Q34 WeakPolarHBondContact O-CB 3.18Å; V27-Q34 PolarHBondContact O-N 2.85Å; D29-Q34 HydrophobicContact CB-CG 4.02Å; Y32-Q34 PolarHBondContact O-N 2.66Å; Y32-Q34 PolarHBondContact O-NE2 2.99Å; Q34-T36 PolarHBondContact O-N 3.08Å
35N83.3Confident85.9Confident60 Ų6072.4 Ų72.432%0.32140%0.399SS..  trans-72.2117.1-179.7-165.2-24.4000111.3D37 I40N35-D37 VanDerWaalsContact OD1-CB 3.31Å; N35-D37 WeakPolarHBondContact OD1-CB 3.46Å; N35-D37 PolarHBondContact OD1-N 3.1Å; N35-I40 WeakPolarHBondContact ND2-CD1 3.29Å
36T87.3Confident85Confident99 Ų9969.4 Ų69.461%0.60739%0.385SS*.  trans-101.48.6-179.162.10000114V27 Q34 T38V27-T36 HydrophobicContact CB-CG2 4.33Å; Q34-T36 PolarHBondContact O-N 3.08Å; T36-T38 PolarHBondContact O-N 2.92Å
37D82.2Confident83.9Confident31 Ų3170.6 Ų70.617%0.16639%0.39CS..  trans-68.2117-179.7-173.1-61.7000110.2N35 G39 I40 L41 Q157N35-D37 VanDerWaalsContact OD1-CB 3.31Å; N35-D37 WeakPolarHBondContact OD1-CB 3.46Å; N35-D37 PolarHBondContact OD1-N 3.1Å; D37-G39 VanDerWaalsContact C-N 3.26Å; D37-G39 PolarHBondContact O-N 3.22Å; D37-G39 WeakPolarHBondContact OD1-CA 3.36Å; D37-G39 PolarHBondContact OD1-N 2.89Å; D37-I40 HydrophobicContact CB-CB 4.26Å; D37-I40 HydrophobicContact CB-CD1 3.82Å; D37-I40 HydrophobicContact CB-CG1 4.02Å; D37-I40 PolarHBondContact O-N 2.73Å; D37-I40 PolarHBondContact OD1-N 2.82Å; D37-L41 VanDerWaalsContact O-CG 3.3Å; D37-L41 WeakPolarHBondContact O-CG 3.14Å; D37-L41 PolarHBondContact O-N 2.82Å; D37-Q157 PolarHBondContact OD2-NE2 2.87Å
38T83.1Confident82.2Confident44 Ų4472.8 Ų72.827%0.2741%0.411SS..Hα-helixtrans-69.3-22.9-174.9550000113.4D3 T36 K42D3-T38 HydrophobicContact CB-CG2 4.12Å; D3-T38 WeakPolarHBondContact OD2-CG2 3.4Å; D3-T38 PolarHBondContact OD2-OG1 2.81Å; T36-T38 PolarHBondContact O-N 2.92Å; T38-K42 VanDerWaalsContact O-CB 3.28Å; T38-K42 WeakPolarHBondContact O-CB 3.5Å; T38-K42 WeakPolarHBondContact O-CG 3.14Å; T38-K42 PolarHBondContact O-N 2.78Å
39G78.4Confident79.9Confident39 Ų3971.9 Ų71.940%0.40242%0.423SS..Hα-helixtrans-69.4-39.3173.700000112D37D37-G39 VanDerWaalsContact C-N 3.26Å; D37-G39 PolarHBondContact O-N 3.22Å; D37-G39 WeakPolarHBondContact OD1-CA 3.36Å; D37-G39 PolarHBondContact OD1-N 2.89Å
40I77.8Confident77.4Confident3 Ų373.4 Ų73.42%0.01544%0.436CS..Hα-helixtrans-72.5-47.9174.1-59.8174.8000110.2N35 D37 K42 S43 L44 V65 G70N35-I40 WeakPolarHBondContact ND2-CD1 3.29Å; D37-I40 HydrophobicContact CB-CB 4.26Å; D37-I40 HydrophobicContact CB-CD1 3.82Å; D37-I40 HydrophobicContact CB-CG1 4.02Å; D37-I40 PolarHBondContact O-N 2.73Å; D37-I40 PolarHBondContact OD1-N 2.82Å; I40-K42 PolarHBondContact O-N 2.84Å; I40-S43 PolarHBondContact O-N 2.79Å; I40-S43 PolarHBondContact O-OG 2.82Å; I40-L44 HydrophobicContact CG2-CD1 4.3Å; I40-L44 PolarHBondContact O-N 2.93Å; I40-V65 HydrophobicContact CG2-CG2 3.46Å; I40-V65 VanDerWaalsContact CG2-CG2 3.46Å; I40-G70 WeakPolarHBondContact CD1-O 3.29Å; I40-G70 VanDerWaalsContact CG1-O 3.25Å; I40-G70 WeakPolarHBondContact CG1-O 3.42Å
41L83.1Confident75.4Confident8 Ų873.4 Ų73.44%0.04244%0.435CS..Hα-helixtrans-59.4-37.7-178.9-68.6168.6000111.6Y4 E26 V27 D37 S43 L44 I45Y4-L41 HydrophobicContact CE2-CB 4.41Å; Y4-L41 WeakPolarHBondContact OH-CB 3.41Å; Y4-L41 PolarHBondContact OH-O 3.28Å; E26-L41 HydrophobicContact CB-CD2 4.31Å; E26-L41 HydrophobicContact CG-CD2 3.79Å; V27-L41 HydrophobicContact CG1-CD1 3.53Å; V27-L41 HydrophobicContact CG1-CD2 3.88Å; V27-L41 HydrophobicContact CG1-CG 4.36Å; D37-L41 VanDerWaalsContact O-CG 3.3Å; D37-L41 WeakPolarHBondContact O-CG 3.14Å; D37-L41 PolarHBondContact O-N 2.82Å; L41-S43 PolarHBondContact O-N 2.88Å; L41-L44 PolarHBondContact O-N 3.45Å; L41-I45 HydrophobicContact CD2-CD1 4.28Å; L41-I45 WeakPolarHBondContact O-CB 3.4Å; L41-I45 PolarHBondContact O-N 2.92Å
42K82.1Confident73.4Confident95 Ų9576.6 Ų76.641%0.41344%0.441SS..Hα-helixtrans-67.9-17.7178.9-80.9176.9176.7-177.20114.4D3 Y4 T38 I40D3-K42 WeakPolarHBondContact O-CE 3.13Å; D3-K42 PolarHBondContact O-NZ 2.91Å; Y4-K42 HydrophobicContact CD1-CG 4.38Å; Y4-K42 HydrophobicContact CE1-CG 3.75Å; Y4-K42 HydrophobicContact CE2-CG 4.03Å; Y4-K42 WeakPolarHBondContact OH-CA 3.41Å; Y4-K42 PolarHBondContact OH-N 2.79Å; Y4-K42 VanDerWaalsContact OH-N 3.17Å; T38-K42 VanDerWaalsContact O-CB 3.28Å; T38-K42 WeakPolarHBondContact O-CB 3.5Å; T38-K42 WeakPolarHBondContact O-CG 3.14Å; T38-K42 PolarHBondContact O-N 2.78Å; I40-K42 PolarHBondContact O-N 2.84Å
43S76.4Confident71.8Confident26 Ų2671 Ų7118%0.18243%0.428CS..Hα-helixtrans-84.6-29.717365.60000112I40 L41 I61I40-S43 PolarHBondContact O-N 2.79Å; I40-S43 PolarHBondContact O-OG 2.82Å; L41-S43 PolarHBondContact O-N 2.88Å; S43-I61 WeakPolarHBondContact O-CD1 3.4Å
44L77.3Confident70.6Confident78 Ų7870.7 Ų70.741%0.40842%0.416SS..Hα-helixtrans-82.4-43.7175.9-68.4166.5000112.4I40 L41 I61 V65I40-L44 HydrophobicContact CG2-CD1 4.3Å; I40-L44 PolarHBondContact O-N 2.93Å; L41-L44 PolarHBondContact O-N 3.45Å; L44-I61 HydrophobicContact CD2-CG2 3.41Å; L44-I61 VanDerWaalsContact CD2-CG2 3.41Å; L44-I61 HydrophobicContact CG-CG2 3.73Å; L44-V65 HydrophobicContact CD1-CG2 4.13Å
45I79.6Confident69.7Low11 Ų1175.6 Ų75.66%0.05644%0.436CS..SBendtrans-115.7107.7-169.9-50.2176.3000108.4Y4 L19 E22 I23 E26 L41Y4-I45 PolarHBondContact OH-O 3.37Å; L19-I45 HydrophobicContact CD1-CG2 3.46Å; L19-I45 VanDerWaalsContact CD1-CG2 3.46Å; E22-I45 HydrophobicContact CB-CD1 4.47Å; E22-I45 HydrophobicContact CB-CG2 3.89Å; E22-I45 WeakPolarHBondContact OE2-CG2 3.31Å; I23-I45 HydrophobicContact CB-CD1 4.48Å; I23-I45 HydrophobicContact CG1-CD1 4.02Å; I23-I45 HydrophobicContact CG1-CG2 4.31Å; E26-I45 HydrophobicContact CB-CD1 3.78Å; E26-I45 HydrophobicContact CG-CD1 4.14Å; L41-I45 HydrophobicContact CD2-CD1 4.28Å; L41-I45 WeakPolarHBondContact O-CB 3.4Å; L41-I45 PolarHBondContact O-N 2.92Å
46T71.7Confident69.3Low68 Ų6879.9 Ų79.942%0.41745%0.454SS..  trans-115.2137.8-175.763.50000111.6A48T46-A48 PolarHBondContact O-N 3.01Å; T46-A48 PolarHBondContact OG1-O 3.35Å
47Q65.8Low68.5Low116 Ų11679.9 Ų79.954%0.54245%0.447SS..SBendtrans-68.7-19.5176.1-85.7-177-26.400113.6N16 L19N16-Q47 PolarHBondContact OD1-NE2 3.23Å; L19-Q47 HydrophobicContact CD1-CG 4.31Å; L19-Q47 HydrophobicContact CD2-CG 3.64Å; L19-Q47 HydrophobicContact CG-CG 4.5Å
48A57.1Low68Low63 Ų6381.6 Ų81.652%0.52146%0.459SS..SBendtrans-93.3110.8-178.800000108.7T46 T50T46-A48 PolarHBondContact O-N 3.01Å; T46-A48 PolarHBondContact OG1-O 3.35Å; A48-T50 PolarHBondContact O-N 3Å
49G44.8Very low67.5Low70 Ų7081.8 Ų81.872%0.72246%0.464SS*.THydrogen-bonded Turntrans-40124.6-176.800000113.4R51G49-R51 PolarHBondContact O-N 3.28Å; G49-R51 VanDerWaalsContact O-N 3.15Å
50T39.7Very low67.4Low136 Ų13686.4 Ų86.483%0.83448%0.475SS*.THydrogen-bonded Turntrans38.461.3161.8-27.80000114.5A48 T52A48-T50 PolarHBondContact O-N 3Å; T50-T52 PolarHBondContact O-N 3.14Å
51R49.1Very low67.1Low209 Ų20987.2 Ų87.279%0.78948%0.479SS*.  trans-66.1116.7153-83.5-176146.8-169-7.2106.9G49 A53G49-R51 PolarHBondContact O-N 3.28Å; G49-R51 VanDerWaalsContact O-N 3.15Å; R51-A53 PolarHBondContact O-N 3.25Å
52T49.8Very low66.7Low134 Ų13490.2 Ų90.282%0.82250%0.498SS*.  trans-61.692164.946.20000107.2T50 S54T50-T52 PolarHBondContact O-N 3.14Å; T52-S54 PolarHBondContact O-N 3.47Å
53A57.7Low66.4Low44 Ų4491 Ų9136%0.36451%0.507SS..  trans-54.6132171.700000107.4R51 E57R51-A53 PolarHBondContact O-N 3.25Å; A53-E57 HydrophobicContact CB-CB 4.42Å
54S66.3Low66.3Low57 Ų5790.8 Ų90.840%0.39950%0.503SS..  trans-62.6156.4176.778.20000109.1T52 E56 E57 T58T52-S54 PolarHBondContact O-N 3.47Å; S54-E56 PolarHBondContact O-N 3.31Å; S54-E56 VanDerWaalsContact O-N 3.16Å; S54-E57 PolarHBondContact O-N 3.24Å; S54-E57 WeakPolarHBondContact OG-CB 3.5Å; S54-E57 PolarHBondContact OG-N 3.45Å; S54-E57 VanDerWaalsContact OG-N 3.12Å; S54-T58 PolarHBondContact O-N 2.81Å; S54-T58 PolarHBondContact O-OG1 3.37Å
55K70.3Confident66.2Low197 Ų19789.7 Ų89.786%0.85750%0.5SS*.Hα-helixtrans-54.3-35.6175.7-79-174.2176.4-178.80111.9A59K55-A59 WeakPolarHBondContact O-CB 3.44Å; K55-A59 PolarHBondContact O-N 2.83Å
56E75Confident66Low150 Ų15094.1 Ų94.170%0.70153%0.527SS*.Hα-helixtrans-67.1-44.2175.7-74.7-179.6151.900112.4S54 T58 A59 Q60S54-E56 PolarHBondContact O-N 3.31Å; S54-E56 VanDerWaalsContact O-N 3.16Å; E56-T58 VanDerWaalsContact C-N 3.31Å; E56-T58 PolarHBondContact O-N 2.87Å; E56-A59 PolarHBondContact O-N 2.83Å; E56-Q60 WeakPolarHBondContact O-CG 3.42Å; E56-Q60 PolarHBondContact O-N 2.76Å
57E71.7Confident66.2Low99 Ų9992.5 Ų92.546%0.46352%0.524SS..Hα-helixtrans-63.7-41.6179.2-158.7170.7-155.600110.5A53 S54 Q60 I61A53-E57 HydrophobicContact CB-CB 4.42Å; S54-E57 PolarHBondContact O-N 3.24Å; S54-E57 WeakPolarHBondContact OG-CB 3.5Å; S54-E57 PolarHBondContact OG-N 3.45Å; S54-E57 VanDerWaalsContact OG-N 3.12Å; E57-Q60 PolarHBondContact O-N 2.84Å; E57-I61 WeakPolarHBondContact O-CD1 3.35Å; E57-I61 WeakPolarHBondContact O-CG1 3.47Å; E57-I61 PolarHBondContact O-N 3.03Å
58T71.2Confident66.9Low67 Ų6796.1 Ų96.141%0.41154%0.541SS..Hα-helixtrans-61.5-46.9174.6-42.40000111.2S54 E56 Q60 I61 T62S54-T58 PolarHBondContact O-N 2.81Å; S54-T58 PolarHBondContact O-OG1 3.37Å; E56-T58 VanDerWaalsContact C-N 3.31Å; E56-T58 PolarHBondContact O-N 2.87Å; T58-Q60 PolarHBondContact O-N 2.79Å; T58-I61 PolarHBondContact O-N 2.87Å; T58-T62 PolarHBondContact O-N 3.2Å; T58-T62 PolarHBondContact O-OG1 3.08Å
59A73Confident68.2Low47 Ų4795.7 Ų95.739%0.38853%0.529SS..Hα-helixtrans-64.2-37.8178.500000112.8K55 E56 T62 N63K55-A59 WeakPolarHBondContact O-CB 3.44Å; K55-A59 PolarHBondContact O-N 2.83Å; E56-A59 PolarHBondContact O-N 2.83Å; A59-T62 PolarHBondContact O-N 3.12Å; A59-N63 WeakPolarHBondContact O-CB 3.31Å; A59-N63 PolarHBondContact O-N 3.24Å; A59-N63 PolarHBondContact O-ND2 3.03Å
60Q74.9Confident70.2Confident136 Ų13692.9 Ų92.964%0.63650%0.5SS*.Hα-helixtrans-63.5-42174.4-77.1-179.43.400111.8E56 E57 T58 N63 Q64E56-Q60 WeakPolarHBondContact O-CG 3.42Å; E56-Q60 PolarHBondContact O-N 2.76Å; E57-Q60 PolarHBondContact O-N 2.84Å; T58-Q60 PolarHBondContact O-N 2.79Å; Q60-N63 PolarHBondContact O-N 3.17Å; Q60-Q64 PolarHBondContact O-N 3.44Å
61I73.1Confident72.5Confident20 Ų2088.4 Ų88.410%0.10347%0.468CS..Hα-helixtrans-63.9-48.5176.2-64.7162.7000110.1S43 L44 E57 T58 N63 Q64 V65S43-I61 WeakPolarHBondContact O-CD1 3.4Å; L44-I61 HydrophobicContact CD2-CG2 3.41Å; L44-I61 VanDerWaalsContact CD2-CG2 3.41Å; L44-I61 HydrophobicContact CG-CG2 3.73Å; E57-I61 WeakPolarHBondContact O-CD1 3.35Å; E57-I61 WeakPolarHBondContact O-CG1 3.47Å; E57-I61 PolarHBondContact O-N 3.03Å; T58-I61 PolarHBondContact O-N 2.87Å; I61-N63 VanDerWaalsContact C-N 3.31Å; I61-N63 PolarHBondContact O-N 3.44Å; I61-Q64 WeakPolarHBondContact O-CB 3.37Å; I61-Q64 PolarHBondContact O-N 2.91Å; I61-Q64 VanDerWaalsContact O-N 3.09Å; I61-V65 HydrophobicContact CG2-CG2 4.24Å; I61-V65 VanDerWaalsContact O-CG2 3.27Å; I61-V65 WeakPolarHBondContact O-CG2 3.38Å; I61-V65 PolarHBondContact O-N 3.26Å
62T74.1Confident74.5Confident72 Ų7278.7 Ų78.744%0.44243%0.432SS..Hα-helixtrans-54.9-48.4176-52.90000110.8T58 A59 Q64 V65 T66T58-T62 PolarHBondContact O-N 3.2Å; T58-T62 PolarHBondContact O-OG1 3.08Å; A59-T62 PolarHBondContact O-N 3.12Å; T62-Q64 VanDerWaalsContact C-N 3.28Å; T62-Q64 PolarHBondContact O-N 3.21Å; T62-V65 PolarHBondContact O-N 2.81Å; T62-V65 VanDerWaalsContact O-N 3.14Å; T62-T66 HydrophobicContact CG2-CG2 4.17Å; T62-T66 WeakPolarHBondContact O-CG2 3.4Å; T62-T66 PolarHBondContact O-N 3.19Å; T62-T66 PolarHBondContact O-OG1 2.92Å
63N74.9Confident76.2Confident111 Ų11179 Ų7959%0.59442%0.418SS*.Hα-helixtrans-62.1-34.1179.1-74.1-17.6000113.1A59 Q60 I61 G67A59-N63 WeakPolarHBondContact O-CB 3.31Å; A59-N63 PolarHBondContact O-N 3.24Å; A59-N63 PolarHBondContact O-ND2 3.03Å; Q60-N63 PolarHBondContact O-N 3.17Å; I61-N63 VanDerWaalsContact C-N 3.31Å; I61-N63 PolarHBondContact O-N 3.44Å; N63-G67 VanDerWaalsContact O-CA 3.23Å; N63-G67 WeakPolarHBondContact O-CA 3.27Å; N63-G67 PolarHBondContact O-N 3.2Å
64Q75.8Confident77.6Confident21 Ų2183.3 Ų83.310%0.09843%0.431CS..Hα-helixtrans-69.7-42.3174.7-171.6-173.7-5.200111.3Q60 I61 T62 G70 R73Q60-Q64 PolarHBondContact O-N 3.44Å; I61-Q64 WeakPolarHBondContact O-CB 3.37Å; I61-Q64 PolarHBondContact O-N 2.91Å; I61-Q64 VanDerWaalsContact O-N 3.09Å; T62-Q64 VanDerWaalsContact C-N 3.28Å; T62-Q64 PolarHBondContact O-N 3.21Å; Q64-G70 WeakPolarHBondContact CG-O 3.44Å; Q64-G70 PolarHBondContact NE2-O 3.43Å; Q64-G70 WeakPolarHBondContact O-CA 3.24Å; Q64-R73 VanDerWaalsContact CD-CG 3.41Å
65V74.2Confident78.7Confident56 Ų5684 Ų8434%0.33945%0.446SS..Hα-helixtrans-66.6-43.3179.2176.80000111.1I40 L44 I61 T62I40-V65 HydrophobicContact CG2-CG2 3.46Å; I40-V65 VanDerWaalsContact CG2-CG2 3.46Å; L44-V65 HydrophobicContact CD1-CG2 4.13Å; I61-V65 HydrophobicContact CG2-CG2 4.24Å; I61-V65 VanDerWaalsContact O-CG2 3.27Å; I61-V65 WeakPolarHBondContact O-CG2 3.38Å; I61-V65 PolarHBondContact O-N 3.26Å; T62-V65 PolarHBondContact O-N 2.81Å; T62-V65 VanDerWaalsContact O-N 3.14Å
66T76Confident79.8Confident104 Ų10475.8 Ų75.864%0.63841%0.411SS*.Hα-helixtrans-88.6-12.6-176.963.50000113.4T62T62-T66 HydrophobicContact CG2-CG2 4.17Å; T62-T66 WeakPolarHBondContact O-CG2 3.4Å; T62-T66 PolarHBondContact O-N 3.19Å; T62-T66 PolarHBondContact O-OG1 2.92Å
67G75.4Confident80.8Confident34 Ų3477.3 Ų77.335%0.35142%0.416SS..SBendtrans-73.6158.8-177.900000112.7N63 I69N63-G67 VanDerWaalsContact O-CA 3.23Å; N63-G67 WeakPolarHBondContact O-CA 3.27Å; N63-G67 PolarHBondContact O-N 3.2Å; G67-I69 PolarHBondContact O-N 2.82Å; G67-I69 VanDerWaalsContact O-N 3.15Å
68Q80Confident82Confident192 Ų19275.7 Ų75.790%0.89741%0.406SS*.SBendtrans-63.5-20.1177-165.9179.46.700113
69I86Confident83.1Confident53 Ų5385 Ų8527%0.27243%0.434SS..  trans-120.890.8-179.9-59.8160.5000108.2G67 W71 R72 M119 I173G67-I69 PolarHBondContact O-N 2.82Å; G67-I69 VanDerWaalsContact O-N 3.15Å; I69-W71 HydrophobicContact CB-CZ2 4.42Å; I69-W71 HydrophobicContact CG1-CZ2 4.29Å; I69-W71 HydrophobicContact CG2-CD2 4.29Å; I69-W71 HydrophobicContact CG2-CZ2 3.96Å; I69-R72 HydrophobicContact CG2-CB 4.23Å; I69-M119 HydrophobicContact CB-CE 4.31Å; I69-M119 HydrophobicContact CD1-CE 4.18Å; I69-M119 HydrophobicContact CG2-CE 3.75Å; I69-I173 HydrophobicContact CD1-CD1 3.42Å; I69-I173 VanDerWaalsContact CD1-CD1 3.42Å; I69-I173 HydrophobicContact CG1-CD1 4.38Å; I69-I173 HydrophobicContact CG2-CG2 4.5Å
70G85.5Confident84.2Confident11 Ų1190 Ų9011%0.11344%0.442CS..  trans-80.2-29.6179.500000114.3I40 Q64 R72I40-G70 WeakPolarHBondContact CD1-O 3.29Å; I40-G70 VanDerWaalsContact CG1-O 3.25Å; I40-G70 WeakPolarHBondContact CG1-O 3.42Å; Q64-G70 WeakPolarHBondContact CG-O 3.44Å; Q64-G70 PolarHBondContact NE2-O 3.43Å; Q64-G70 WeakPolarHBondContact O-CA 3.24Å; G70-R72 VanDerWaalsContact C-N 3.31Å; G70-R72 PolarHBondContact O-N 3.13Å
71W88.1Confident85.3Confident42 Ų4284.5 Ų84.516%0.15942%0.417CS..SBendtrans-82.41.9-169.456.477.9000115I69 Q157 C158 I173 P175I69-W71 HydrophobicContact CB-CZ2 4.42Å; I69-W71 HydrophobicContact CG1-CZ2 4.29Å; I69-W71 HydrophobicContact CG2-CD2 4.29Å; I69-W71 HydrophobicContact CG2-CZ2 3.96Å; W71-Q157 HydrophobicContact CD2-CG 4.39Å; W71-Q157 HydrophobicContact CE3-CG 3.73Å; W71-Q157 HydrophobicContact CZ3-CB 4.49Å; W71-Q157 HydrophobicContact CZ3-CG 4.15Å; W71-C158 HydrophobicContact CD2-CB 3.89Å; W71-C158 HydrophobicContact CG-CB 4.17Å; W71-C158 VanDerWaalsContact CZ2-CA 3.42Å; W71-C158 HydrophobicContact CZ2-CB 3.77Å; W71-C158 VanDerWaalsContact NE1-CB 3.27Å; W71-I173 PolarHBondContact NE1-O 2.9Å; W71-P175 HydrophobicContact CB-CG 4.11Å; W71-P175 HydrophobicContact CG-CG 4.18Å; W71-P175 WeakPolarHBondContact O-CA 3.1Å
72R91Very high86.5Confident5 Ų585.7 Ų85.72%0.01942%0.422CS..SBendtrans-145.4130.8-179.6-170.2-176.9-177.371.39.7111.8I69 G70 I76 L116 G118 M119 I173 P174 D176I69-R72 HydrophobicContact CG2-CB 4.23Å; G70-R72 VanDerWaalsContact C-N 3.31Å; G70-R72 PolarHBondContact O-N 3.13Å; R72-I76 HydrophobicContact CG-CD1 4.13Å; R72-L116 PolarHBondContact NH2-O 2.92Å; R72-G118 VanDerWaalsContact CZ-O 3.26Å; R72-G118 PolarHBondContact NE-O 2.81Å; R72-G118 PolarHBondContact NH2-O 2.91Å; R72-M119 HydrophobicContact CB-CE 4.07Å; R72-M119 HydrophobicContact CB-SD 4.17Å; R72-M119 VanDerWaalsContact CD-SD 3.58Å; R72-M119 HydrophobicContact CG-CE 4.22Å; R72-M119 HydrophobicContact CG-SD 3.67Å; R72-I173 HydrophobicContact CB-CG2 4.4Å; R72-I173 VanDerWaalsContact CD-CG2 3.48Å; R72-P174 VanDerWaalsContact CD-O 3.25Å; R72-P174 WeakPolarHBondContact CD-O 3.44Å; R72-P174 PolarHBondContact NH1-O 2.92Å; R72-D176 IonicContact NH1-OD1 3.4Å
73R85.2Confident87.6Confident141 Ų14182.2 Ų82.253%0.53240%0.401SS..  trans-82.7142.8176.7-71.7-176.9-65.9177.61112.1Q64 I76 M119Q64-R73 VanDerWaalsContact CD-CG 3.41Å; R73-I76 HydrophobicContact CB-CD1 4.2Å; R73-I76 HydrophobicContact CB-CG1 4.3Å; R73-I76 VanDerWaalsContact O-CD1 3.25Å; R73-I76 WeakPolarHBondContact O-CD1 3.35Å; R73-I76 WeakPolarHBondContact O-CG1 3.36Å; R73-M119 VanDerWaalsContact O-SD 3.42Å
74E87.3Confident88.7Confident135 Ų13579.6 Ų79.663%0.63139%0.385SS*.THydrogen-bonded Turntrans-69.3160.1166.3-62.2-156.2134.400111.2I76 M119 K318E74-I76 VanDerWaalsContact C-N 3.29Å; E74-I76 PolarHBondContact O-N 3.29Å; E74-M119 HydrophobicContact CG-CG 3.99Å; E74-M119 HydrophobicContact CG-SD 4.17Å; E74-K318 IonicContact OE1-NZ 2.78Å; E74-K318 PolarHBondContact OE1-NZ 2.93Å
75G89.4Confident89.8Confident71 Ų7178.7 Ų78.773%0.73238%0.381SS*.THydrogen-bonded Turntrans78.9-0.817500000116.2K77G75-K77 PolarHBondContact O-N 3.22Å
76I93.7Very high90.9Very high24 Ų2476.6 Ų76.612%0.12337%0.367CS..  trans-57.2132.2174.4-62.9170.8000109.7R72 R73 E74 Y78 L116 S117 G118 D176R72-I76 HydrophobicContact CG-CD1 4.13Å; R73-I76 HydrophobicContact CB-CD1 4.2Å; R73-I76 HydrophobicContact CB-CG1 4.3Å; R73-I76 VanDerWaalsContact O-CD1 3.25Å; R73-I76 WeakPolarHBondContact O-CD1 3.35Å; R73-I76 WeakPolarHBondContact O-CG1 3.36Å; E74-I76 VanDerWaalsContact C-N 3.29Å; E74-I76 PolarHBondContact O-N 3.29Å; I76-Y78 HydrophobicContact CG2-CD2 3.92Å; I76-Y78 HydrophobicContact CG2-CE2 3.45Å; I76-Y78 VanDerWaalsContact CG2-CE2 3.45Å; I76-L116 WeakPolarHBondContact CG2-O 3.3Å; I76-S117 CarbonylContact O-C 3.58Å; I76-S117 VanDerWaalsContact O-CA 3.3Å; I76-S117 WeakPolarHBondContact O-CA 3.49Å; I76-G118 PolarHBondContact O-N 3.34Å; I76-D176 HydrophobicContact CD1-CB 3.81Å
77K95.9Very high92Very high182 Ų18271.7 Ų71.779%0.79134%0.337SS*.  trans-138.4125.8179.8-166.9172.9-176.1174.90110.6G75G75-K77 PolarHBondContact O-N 3.22Å
78Y96.7Very high93.1Very high66 Ų6672.1 Ų72.126%0.25933%0.331SS..  trans-110150.1171.7-71.7-82000110.5I76 R80 Y115 L116 S117 D176I76-Y78 HydrophobicContact CG2-CD2 3.92Å; I76-Y78 HydrophobicContact CG2-CE2 3.45Å; I76-Y78 VanDerWaalsContact CG2-CE2 3.45Å; Y78-R80 WeakPolarHBondContact CB-O 3.37Å; Y78-R80 PolarHBondContact O-N 3.07Å; Y78-Y115 AromaticContact CE1-CD1 3.75Å; Y78-Y115 HydrophobicContact CE1-CD1 3.75Å; Y78-Y115 HydrophobicContact CE1-CG 4.26Å; Y78-Y115 VanDerWaalsContact CE2-C 3.5Å; Y78-Y115 AromaticContact CZ-CD1 3.77Å; Y78-L116 VanDerWaalsContact CD2-C 3.45Å; Y78-L116 VanDerWaalsContact CD2-O 3.3Å; Y78-L116 WeakPolarHBondContact CD2-O 3.13Å; Y78-L116 WeakPolarHBondContact CE2-O 3.34Å; Y78-S117 PolarHBondContact N-OG 3.4Å; Y78-S117 PolarHBondContact O-OG 2.83Å; Y78-D176 WeakPolarHBondContact CE2-OD1 3.42Å; Y78-D176 VanDerWaalsContact OH-CG 3.24Å; Y78-D176 PolarHBondContact OH-OD1 3.05Å; Y78-D176 PolarHBondContact OH-OD2 2.77Å
79R95.5Very high94Very high263 Ų26363 Ų6399%0.99229%0.288SS*.SBendtrans-62.7-33.1171179.9176.9172.7167.10.4111.4
80R96Very high94.5Very high151 Ų15162.8 Ų62.857%0.5729%0.291SS*.SBendtrans-142.6133.8178.9-168.3178-169.3-160.414.4108.8Y78 E82 V327Y78-R80 WeakPolarHBondContact CB-O 3.37Å; Y78-R80 PolarHBondContact O-N 3.07Å; R80-E82 HydrophobicContact CB-CG 4.43Å; R80-E82 WeakPolarHBondContact CD-OE1 3.44Å; R80-E82 HydrophobicContact CG-CG 4.01Å; R80-E82 IonicContact CZ-OE1 3.62Å; R80-E82 IonicContact NE-OE1 2.83Å; R80-E82 IonicContact NH1-OE1 2.58Å; R80-E82 PolarHBondContact NH1-OE1 3.4Å; R80-V327 VanDerWaalsContact CZ-CG2 3.49Å
81N98Very high95.1Very high20 Ų2062.2 Ų62.211%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-83.8118.7178-63.1-45.4000109.6Y115 L116 S117 V326 V327N81-Y115 CarbonylContact C-O 3.49Å; N81-Y115 VanDerWaalsContact CA-O 3.31Å; N81-Y115 WeakPolarHBondContact CA-O 3.08Å; N81-L116 HydrophobicContact CB-CD2 3.8Å; N81-S117 WeakPolarHBondContact OD1-CB 3.49Å; N81-S117 PolarHBondContact OD1-N 3.29Å; N81-S117 PolarHBondContact OD1-OG 2.75Å; N81-V326 HydrophobicContact CB-CB 4.49Å; N81-V326 HydrophobicContact CB-CG1 4.45Å; N81-V326 HydrophobicContact CB-CG2 3.95Å; N81-V327 PolarHBondContact O-N 3.21Å
82E97.9Very high95.6Very high45 Ų4561.6 Ų61.621%0.2129%0.285CS..EExtended strand (participates in β ladder)trans-136.4139.4-177-55.3-170.1134.600111.5R80 F84 Y115 V327R80-E82 HydrophobicContact CB-CG 4.43Å; R80-E82 WeakPolarHBondContact CD-OE1 3.44Å; R80-E82 HydrophobicContact CG-CG 4.01Å; R80-E82 IonicContact CZ-OE1 3.62Å; R80-E82 IonicContact NE-OE1 2.83Å; R80-E82 IonicContact NH1-OE1 2.58Å; R80-E82 PolarHBondContact NH1-OE1 3.4Å; E82-F84 HydrophobicContact CB-CE2 3.8Å; E82-F84 HydrophobicContact CB-CZ 4.24Å; E82-Y115 PolarHBondContact N-O 2.8Å; E82-Y115 PolarHBondContact O-N 3.49Å; E82-V327 CarbonylContact C-O 3.55Å; E82-V327 WeakPolarHBondContact CA-O 3.33Å; E82-V327 HydrophobicContact CG-CB 4.16Å
83L97.7Very high95.9Very high0 Ų061.6 Ų61.60%029%0.286CS..EExtended strand (participates in β ladder)trans-124.5136.5173.3-69.6-178.9000110.6M112 K113 L116 L312 V314 V326 V327 K328 W329L83-M112 HydrophobicContact CD1-CE 3.66Å; L83-M112 HydrophobicContact CD2-CE 3.26Å; L83-M112 HydrophobicContact CG-CE 3.99Å; L83-K113 WeakPolarHBondContact CA-O 3.49Å; L83-L116 HydrophobicContact CD1-CD1 4.11Å; L83-L116 HydrophobicContact CD2-CD1 3.67Å; L83-L116 HydrophobicContact CD2-CD2 4.02Å; L83-L116 HydrophobicContact CD2-CG 3.66Å; L83-L116 HydrophobicContact CG-CD1 4.09Å; L83-L116 HydrophobicContact CG-CD2 3.96Å; L83-L116 HydrophobicContact CG-CG 4.14Å; L83-L312 HydrophobicContact CB-CD2 4.2Å; L83-L312 HydrophobicContact CD1-CD2 3.63Å; L83-L312 HydrophobicContact CD1-CG 4.2Å; L83-V314 HydrophobicContact CD1-CG2 3.45Å; L83-V314 VanDerWaalsContact CD1-CG2 3.45Å; L83-V326 HydrophobicContact CD1-CG1 4.28Å; L83-V326 HydrophobicContact CG-CG1 4.05Å; L83-V327 PolarHBondContact N-O 2.79Å; L83-K328 HydrophobicContact CB-CG 4.23Å; L83-K328 CarbonylContact O-C 3.55Å; L83-K328 WeakPolarHBondContact O-CA 3.48Å; L83-W329 PolarHBondContact O-N 2.91Å
84F98.2Very high96.5Very high56 Ų5657 Ų5725%0.24627%0.271CS..EExtended strand (participates in β ladder)trans-123.7127.6173.7-54.1-99.1000109.2E82 M112 K113 Y115 W329E82-F84 HydrophobicContact CB-CE2 3.8Å; E82-F84 HydrophobicContact CB-CZ 4.24Å; F84-M112 CarbonylContact O-C 3.55Å; F84-M112 WeakPolarHBondContact O-CA 3.35Å; F84-K113 HydrophobicContact CB-CB 4.08Å; F84-K113 HydrophobicContact CB-CG 4.39Å; F84-K113 HydrophobicContact CD2-CB 4.19Å; F84-K113 PolarHBondContact N-O 2.82Å; F84-K113 PolarHBondContact O-N 3.19Å; F84-Y115 HydrophobicContact CD2-CD2 4.11Å; F84-Y115 HydrophobicContact CD2-CE2 4.07Å; F84-Y115 AromaticContact CE2-CD2 3.84Å; F84-Y115 HydrophobicContact CE2-CD2 3.84Å; F84-Y115 AromaticContact CE2-CE2 3.96Å; F84-Y115 HydrophobicContact CE2-CE2 3.96Å; F84-W329 HydrophobicContact CD1-CB 3.6Å; F84-W329 AromaticContact CD1-CD1 3.55Å; F84-W329 AromaticContact CD1-CG 3.72Å; F84-W329 HydrophobicContact CD1-CG 3.72Å; F84-W329 HydrophobicContact CE1-CB 4.13Å; F84-W329 AromaticContact CE1-CD1 3.19Å; F84-W329 AromaticContact CE1-CG 3.71Å; F84-W329 HydrophobicContact CE1-CG 3.71Å; F84-W329 AromaticContact CE1-NE1 3.74Å; F84-W329 HydrophobicContact CG-CB 4.33Å; F84-W329 AromaticContact CZ-CD1 3.79Å
85L98.1Very high97Very high2 Ų250.8 Ų50.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-112.9124.6174.2-69.1-177.5000110.6I87 V110 M112 F124 V309 L312 W329 V330 R331L85-I87 HydrophobicContact CB-CD1 4.23Å; L85-V110 HydrophobicContact CD2-CG1 4.06Å; L85-M112 HydrophobicContact CD2-CB 3.78Å; L85-M112 HydrophobicContact CD2-CG 3.74Å; L85-M112 HydrophobicContact CD2-SD 4.02Å; L85-F124 HydrophobicContact CD1-CD2 4.13Å; L85-F124 HydrophobicContact CD1-CE2 3.79Å; L85-V309 HydrophobicContact CD1-CG1 4.44Å; L85-V309 HydrophobicContact CD1-CG2 4.34Å; L85-L312 HydrophobicContact CD1-CD2 3.76Å; L85-L312 HydrophobicContact CG-CD2 4.1Å; L85-W329 PolarHBondContact N-O 2.85Å; L85-V330 HydrophobicContact CB-CG2 4.25Å; L85-V330 CarbonylContact O-C 3.54Å; L85-V330 WeakPolarHBondContact O-CA 3.21Å; L85-R331 PolarHBondContact O-N 2.94Å
86D98.3Very high97.2Very high12 Ų1247.7 Ų47.76%0.06421%0.209CC..EExtended strand (participates in β ladder)trans-111.6110.1174.5-54.8-26.3000109M88 I111 R331D86-M88 HydrophobicContact CB-CG 4.18Å; D86-M88 HydrophobicContact CB-SD 4.34Å; D86-M88 PolarHBondContact O-N 2.88Å; D86-I111 HydrophobicContact CB-CB 4.18Å; D86-I111 PolarHBondContact N-O 2.81Å; D86-I111 PolarHBondContact O-N 2.84Å; D86-R331 HydrophobicContact CB-CG 4.2Å; D86-R331 VanDerWaalsContact CG-NH2 3.31Å; D86-R331 VanDerWaalsContact OD1-CD 3.27Å; D86-R331 WeakPolarHBondContact OD1-CD 3.42Å; D86-R331 WeakPolarHBondContact OD1-CG 3.28Å; D86-R331 IonicContact OD1-CZ 2.72Å; D86-R331 IonicContact OD1-NE 2.73Å; D86-R331 PolarHBondContact OD1-NE 3.06Å; D86-R331 IonicContact OD1-NH2 3.38Å; D86-R331 IonicContact OD2-CZ 3.8Å; D86-R331 IonicContact OD2-NE 2.66Å; D86-R331 PolarHBondContact OD2-NE 3.35Å; D86-R331 IonicContact OD2-NH2 3.21Å; D86-R331 PolarHBondContact OD2-NH2 2.8Å
87I98.2Very high96.9Very high0 Ų049.1 Ų49.10%022%0.22CC..EExtended strand (participates in β ladder)trans-90103.7173.8-6373.1000106.2L85 E89 A303 F307 V309 V330 R331 Y332 I333L85-I87 HydrophobicContact CB-CD1 4.23Å; I87-E89 HydrophobicContact CG2-CG 4.47Å; I87-A303 HydrophobicContact CG2-CB 4.3Å; I87-F307 HydrophobicContact CG1-CD1 4Å; I87-F307 HydrophobicContact CG1-CE1 4.01Å; I87-F307 HydrophobicContact CG2-CB 4.48Å; I87-F307 HydrophobicContact CG2-CD1 3.9Å; I87-F307 HydrophobicContact CG2-CG 4.39Å; I87-V309 HydrophobicContact CD1-CG2 3.82Å; I87-V309 HydrophobicContact CG1-CG2 4.29Å; I87-V330 HydrophobicContact CD1-CG2 3.33Å; I87-R331 PolarHBondContact N-O 3.2Å; I87-Y332 HydrophobicContact CB-CD1 3.64Å; I87-Y332 HydrophobicContact CB-CE1 4.03Å; I87-Y332 HydrophobicContact CB-CG 4.4Å; I87-Y332 HydrophobicContact CD1-CD1 4.24Å; I87-Y332 HydrophobicContact CD1-CE1 3.98Å; I87-Y332 HydrophobicContact CG1-CD1 3.95Å; I87-Y332 HydrophobicContact CG1-CE1 3.79Å; I87-Y332 HydrophobicContact CG2-CD1 3.88Å; I87-Y332 HydrophobicContact CG2-CE1 4.28Å; I87-I333 PolarHBondContact O-N 3.16Å
88M98.3Very high96.7Very high44 Ų4447.4 Ų47.422%0.21722%0.215CC..EExtended strand (participates in β ladder)trans-106.9117.2-175.2-61.8-64.8-56.400109.1D86 G108 R109 I111 I333 K335D86-M88 HydrophobicContact CB-CG 4.18Å; D86-M88 HydrophobicContact CB-SD 4.34Å; D86-M88 PolarHBondContact O-N 2.88Å; M88-G108 CarbonylContact O-C 3.47Å; M88-G108 WeakPolarHBondContact O-CA 3.06Å; M88-R109 PolarHBondContact N-O 2.86Å; M88-R109 PolarHBondContact O-N 2.86Å; M88-I111 HydrophobicContact CG-CG1 4.36Å; M88-I333 WeakPolarHBondContact CA-O 3.37Å; M88-I333 HydrophobicContact CE-CB 4.08Å; M88-I333 HydrophobicContact CE-CD1 4.4Å; M88-I333 HydrophobicContact CE-CG2 3.93Å; M88-I333 HydrophobicContact SD-CB 3.69Å; M88-I333 HydrophobicContact SD-CD1 3.69Å; M88-I333 HydrophobicContact SD-CG1 4.1Å; M88-I333 HydrophobicContact SD-CG2 4.21Å; M88-K335 HydrophobicContact CE-CD 4.49Å
89E98.2Very high96.4Very high1 Ų145 Ų451%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-120.8138.1179.5-73.8-170.7179.300111.4I87 V106 Y184 A303 P304 S305 I333 G334 K335I87-E89 HydrophobicContact CG2-CG 4.47Å; E89-V106 HydrophobicContact CB-CG1 3.73Å; E89-V106 HydrophobicContact CG-CG1 3.75Å; E89-Y184 PolarHBondContact OE1-OH 2.81Å; E89-A303 HydrophobicContact CG-CB 4.43Å; E89-A303 WeakPolarHBondContact OE1-CB 3.23Å; E89-A303 WeakPolarHBondContact OE2-CA 3.02Å; E89-P304 WeakPolarHBondContact OE2-CD 3.46Å; E89-S305 VanDerWaalsContact CD-OG 3.27Å; E89-S305 WeakPolarHBondContact OE1-CB 3.35Å; E89-S305 PolarHBondContact OE1-OG 2.82Å; E89-S305 PolarHBondContact OE2-N 3.1Å; E89-S305 PolarHBondContact OE2-OG 2.74Å; E89-I333 PolarHBondContact N-O 2.93Å; E89-G334 CarbonylContact O-C 3.55Å; E89-G334 WeakPolarHBondContact O-CA 3.49Å; E89-K335 PolarHBondContact O-N 3.13Å
90S98.2Very high96.4Very high47 Ų4738.8 Ų38.833%0.32919%0.193SC..EExtended strand (participates in β ladder)trans-113.7117.4170.9-59.10000109.2V106 A107 K335S90-V106 WeakPolarHBondContact O-CA 3.37Å; S90-A107 PolarHBondContact N-O 2.81Å; S90-A107 PolarHBondContact O-N 2.8Å; S90-K335 CarbonylContact C-O 3.59Å; S90-K335 WeakPolarHBondContact CA-O 3.5Å
91V98Very high96.4Very high0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans-88.9117.7177.9-167.90000109.3V106 I190 L192 P304 K335 G337 Y339V91-V106 HydrophobicContact CG1-CG2 4.36Å; V91-V106 HydrophobicContact CG2-CG2 4.18Å; V91-I190 HydrophobicContact CG1-CG2 4.28Å; V91-L192 HydrophobicContact CG1-CD2 4.13Å; V91-P304 HydrophobicContact CG2-CB 3.38Å; V91-P304 HydrophobicContact CG2-CG 3.31Å; V91-K335 PolarHBondContact N-O 3.22Å; V91-G337 PolarHBondContact O-N 3Å; V91-Y339 HydrophobicContact CB-CD2 4.28Å; V91-Y339 HydrophobicContact CB-CE2 4.31Å; V91-Y339 HydrophobicContact CG1-CD2 4.17Å; V91-Y339 HydrophobicContact CG1-CE2 3.88Å
92N97.9Very high96.3Very high29 Ų2938.3 Ų38.316%0.15520%0.203CC..EExtended strand (participates in β ladder)trans-99.6128.9169.3-57.6-67000108.1A104 H105 G337 L338N92-A104 VanDerWaalsContact O-CA 3.29Å; N92-A104 WeakPolarHBondContact O-CA 3.32Å; N92-H105 WeakPolarHBondContact CB-CE1 3.32Å; N92-H105 PolarHBondContact N-O 3.2Å; N92-H105 PolarHBondContact ND2-CD2 3.33Å; N92-H105 PolarHBondContact ND2-NE2 2.73Å; N92-H105 PolarHBondContact O-N 2.92Å; N92-G337 WeakPolarHBondContact OD1-CA 3.34Å; N92-L338 CarbonylContact C-O 3.59Å; N92-L338 VanDerWaalsContact CA-O 3.28Å; N92-L338 WeakPolarHBondContact CA-O 3.47Å; N92-L338 PolarHBondContact OD1-N 3.46Å
93L98Very high96.2Very high5 Ų539 Ų393%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-138.6134.2-179.4176.369.1000109.2M95 V101 S103 A104 L192 L338 Y339 E340L93-M95 HydrophobicContact CD2-CB 4.34Å; L93-M95 HydrophobicContact CG-CB 4.39Å; L93-V101 HydrophobicContact CD1-CB 4.47Å; L93-V101 HydrophobicContact CD1-CG1 3.76Å; L93-V101 HydrophobicContact CD1-CG2 4.18Å; L93-S103 CarbonylContact C-O 3.58Å; L93-S103 WeakPolarHBondContact CA-O 3.26Å; L93-A104 HydrophobicContact CD1-CB 4.08Å; L93-L192 HydrophobicContact CD1-CD1 3.84Å; L93-L192 HydrophobicContact CD1-CD2 3.98Å; L93-L192 HydrophobicContact CD2-CD1 4.3Å; L93-L192 HydrophobicContact CD2-CD2 4.39Å; L93-L338 PolarHBondContact N-O 3.29Å; L93-L338 VanDerWaalsContact O-O 3.09Å; L93-Y339 HydrophobicContact CB-CD1 4.44Å; L93-Y339 HydrophobicContact CB-CD2 3.62Å; L93-Y339 HydrophobicContact CB-CE1 4.47Å; L93-Y339 HydrophobicContact CB-CE2 3.65Å; L93-Y339 HydrophobicContact CB-CG 4.05Å; L93-Y339 HydrophobicContact CD2-CD1 4.11Å; L93-Y339 HydrophobicContact CD2-CD2 4.35Å; L93-Y339 HydrophobicContact CD2-CE1 3.48Å; L93-Y339 VanDerWaalsContact CD2-CE1 3.48Å; L93-Y339 HydrophobicContact CD2-CE2 3.76Å; L93-Y339 WeakPolarHBondContact CD2-OH 3.34Å; L93-Y339 HydrophobicContact CG-CE2 4.34Å; L93-E340 PolarHBondContact O-N 2.99Å
94L97.5Very high96.2Very high43 Ų4340 Ų4023%0.22522%0.221CC..EExtended strand (participates in β ladder)trans-121.2117.4161.2-179.664.1000108.6L102 S103 E340 R342L94-L102 HydrophobicContact CD2-CB 4.34Å; L94-L102 HydrophobicContact CD2-CD1 4.32Å; L94-L102 HydrophobicContact CG-CB 4.25Å; L94-L102 HydrophobicContact CG-CD1 4.21Å; L94-L102 WeakPolarHBondContact O-CA 3.39Å; L94-L102 WeakPolarHBondContact O-CB 3.39Å; L94-L102 PolarHBondContact O-N 3.33Å; L94-S103 PolarHBondContact N-O 3.05Å; L94-S103 PolarHBondContact O-N 3.17Å; L94-E340 WeakPolarHBondContact CA-O 3.32Å; L94-E340 HydrophobicContact CD1-CB 4.26Å; L94-R342 HydrophobicContact CD1-CG 4.23Å
95M96.9Very high96.1Very high5 Ų540.1 Ų40.13%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-113.7142.1-179.4-166.9167.162.100111.4L93 Q100 R195 I196 E340 T341 R342L93-M95 HydrophobicContact CD2-CB 4.34Å; L93-M95 HydrophobicContact CG-CB 4.39Å; M95-Q100 CarbonylContact C-O 3.56Å; M95-Q100 WeakPolarHBondContact CA-O 3.27Å; M95-Q100 WeakPolarHBondContact CG-O 3.37Å; M95-R195 HydrophobicContact CE-CG 4Å; M95-R195 HydrophobicContact SD-CG 4.23Å; M95-I196 WeakPolarHBondContact CE-O 3.28Å; M95-E340 PolarHBondContact N-O 2.98Å; M95-T341 HydrophobicContact CB-CG2 4.19Å; M95-T341 HydrophobicContact CE-CG2 3.51Å; M95-T341 WeakPolarHBondContact CE-OG1 3.41Å; M95-T341 HydrophobicContact CG-CG2 4.5Å; M95-R342 PolarHBondContact O-N 3.07Å
96S94.8Very high96.1Very high6 Ų640 Ų404%0.04222%0.222CC..  trans-71.3163.6174.1820000111.6Q98 G99 Q100S96-Q98 PolarHBondContact O-N 3.19Å; S96-Q98 PolarHBondContact OG-N 2.9Å; S96-Q98 PolarHBondContact OG-OE1 3.27Å; S96-G99 PolarHBondContact O-N 2.91Å; S96-G99 PolarHBondContact OG-N 2.92Å; S96-Q100 PolarHBondContact N-O 3.35Å; S96-Q100 WeakPolarHBondContact OG-CB 3.42Å; S96-Q100 PolarHBondContact OG-N 3.41Å; S96-Q100 PolarHBondContact OG-O 3.21Å
97P87.8Confident96.1Very high55 Ų5541.2 Ų41.236%0.35723%0.234SC..THydrogen-bonded Turntrans-59.6-29.5174.8-22.434.1000113.3G99 R342P97-G99 PolarHBondContact O-N 3.15Å; P97-R342 WeakPolarHBondContact CA-O 3.41Å; P97-R342 HydrophobicContact CG-CB 3.92Å
98Q89.9Confident96.1Very high145 Ų14541.2 Ų41.268%0.67823%0.234SC*.THydrogen-bonded Turntrans-79.7-3.7177-58.676.216.700112.5S96S96-Q98 PolarHBondContact O-N 3.19Å; S96-Q98 PolarHBondContact OG-N 2.9Å; S96-Q98 PolarHBondContact OG-OE1 3.27Å
99G90.8Very high96.1Very high16 Ų1644 Ų4417%0.16524%0.242CC..SBendtrans82.720.1-179.700000114.4S96 P97 R195S96-G99 PolarHBondContact O-N 2.91Å; S96-G99 PolarHBondContact OG-N 2.92Å; P97-G99 PolarHBondContact O-N 3.15Å; G99-R195 PolarHBondContact O-NH2 3.4Å
100Q95.3Very high96.1Very high133 Ų13344 Ų4462%0.62124%0.242SC*.  trans-82.5135.3169.3-66.6-177.5-42.700109.8M95 S96 L102M95-Q100 CarbonylContact C-O 3.56Å; M95-Q100 WeakPolarHBondContact CA-O 3.27Å; M95-Q100 WeakPolarHBondContact CG-O 3.37Å; S96-Q100 PolarHBondContact N-O 3.35Å; S96-Q100 WeakPolarHBondContact OG-CB 3.42Å; S96-Q100 PolarHBondContact OG-N 3.41Å; S96-Q100 PolarHBondContact OG-O 3.21Å; Q100-L102 PolarHBondContact O-N 3.11Å
101V96.2Very high96.1Very high73 Ų7343.1 Ų43.144%0.44223%0.233SC..EExtended strand (participates in β ladder)trans-73.1114.9175178.60000108.4L93 A104 L192L93-V101 HydrophobicContact CD1-CB 4.47Å; L93-V101 HydrophobicContact CD1-CG1 3.76Å; L93-V101 HydrophobicContact CD1-CG2 4.18Å; V101-A104 HydrophobicContact CG1-CB 3.72Å; V101-L192 HydrophobicContact CG2-CD1 3.63Å
102L96.1Very high96.1Very high87 Ų8743.1 Ų43.146%0.45523%0.233SC..EExtended strand (participates in β ladder)trans-87.3-37.5177.2-60177.3000111.2L94 Q100L94-L102 HydrophobicContact CD2-CB 4.34Å; L94-L102 HydrophobicContact CD2-CD1 4.32Å; L94-L102 HydrophobicContact CG-CB 4.25Å; L94-L102 HydrophobicContact CG-CD1 4.21Å; L94-L102 WeakPolarHBondContact O-CA 3.39Å; L94-L102 WeakPolarHBondContact O-CB 3.39Å; L94-L102 PolarHBondContact O-N 3.33Å; Q100-L102 PolarHBondContact O-N 3.11Å
103S96.4Very high96.1Very high60 Ų6044.2 Ų44.242%0.4224%0.237SC..EExtended strand (participates in β ladder)trans-151.7136.6173.9-177.10000109L93 L94L93-S103 CarbonylContact C-O 3.58Å; L93-S103 WeakPolarHBondContact CA-O 3.26Å; L94-S103 PolarHBondContact N-O 3.05Å; L94-S103 PolarHBondContact O-N 3.17Å
104A96.9Very high96.1Very high20 Ų2044 Ų4417%0.16524%0.236CC..EExtended strand (participates in β ladder)trans-143.2133.1169.900000109.3N92 L93 V101 I190 L192N92-A104 VanDerWaalsContact O-CA 3.29Å; N92-A104 WeakPolarHBondContact O-CA 3.32Å; L93-A104 HydrophobicContact CD1-CB 4.08Å; V101-A104 HydrophobicContact CG1-CB 3.72Å; A104-I190 HydrophobicContact CB-CD1 4.13Å; A104-L192 HydrophobicContact CB-CD2 4.43Å
105H97.2Very high96.1Very high59 Ų5945.9 Ų45.927%0.27324%0.24SC..EExtended strand (participates in β ladder)trans-151150.6169.968.4-84.9000110.4N92 T186 T187 I190N92-H105 WeakPolarHBondContact CB-CE1 3.32Å; N92-H105 PolarHBondContact N-O 3.2Å; N92-H105 PolarHBondContact ND2-CD2 3.33Å; N92-H105 PolarHBondContact ND2-NE2 2.73Å; N92-H105 PolarHBondContact O-N 2.92Å; H105-T186 CarbonylContact C-O 3.55Å; H105-T186 VanDerWaalsContact CA-O 3.27Å; H105-T186 WeakPolarHBondContact CA-O 3.24Å; H105-T186 WeakPolarHBondContact CB-O 3.35Å; H105-T187 HydrophobicContact CB-CG2 3.75Å; H105-I190 VanDerWaalsContact CA-CD1 3.47Å
106V98Very high96.1Very high0 Ų045.6 Ų45.60%024%0.239CC..EExtended strand (participates in β ladder)trans-109.5128.2174172.50000108.7E89 S90 V91 R185 T186 I190 P304E89-V106 HydrophobicContact CB-CG1 3.73Å; E89-V106 HydrophobicContact CG-CG1 3.75Å; S90-V106 WeakPolarHBondContact O-CA 3.37Å; V91-V106 HydrophobicContact CG1-CG2 4.36Å; V91-V106 HydrophobicContact CG2-CG2 4.18Å; V106-R185 WeakPolarHBondContact O-CA 3.35Å; V106-T186 HydrophobicContact CB-CG2 3.77Å; V106-T186 HydrophobicContact CG1-CG2 4.48Å; V106-T186 HydrophobicContact CG2-CG2 4.49Å; V106-T186 PolarHBondContact N-O 2.8Å; V106-T186 PolarHBondContact O-N 2.84Å; V106-I190 HydrophobicContact CG2-CB 4.43Å; V106-I190 HydrophobicContact CG2-CD1 4.01Å; V106-I190 HydrophobicContact CG2-CG1 3.94Å; V106-I190 HydrophobicContact CG2-CG2 3.61Å; V106-P304 HydrophobicContact CG2-CB 4.27Å
107A97.9Very high96.2Very high38 Ų3845.7 Ų45.731%0.31424%0.24SC..EExtended strand (participates in β ladder)trans-99.3110.4166.300000108.4S90S90-A107 PolarHBondContact N-O 2.81Å; S90-A107 PolarHBondContact O-N 2.8Å
108G97.9Very high96.6Very high0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-108.2149.8-17700000112.7M88 R183 Y184M88-G108 CarbonylContact O-C 3.47Å; M88-G108 WeakPolarHBondContact O-CA 3.06Å; G108-R183 CarbonylContact O-C 3.58Å; G108-R183 WeakPolarHBondContact O-CA 3.39Å; G108-R183 WeakPolarHBondContact O-CG 3.27Å; G108-Y184 PolarHBondContact N-O 2.83Å; G108-Y184 PolarHBondContact O-N 2.85Å; G108-Y184 VanDerWaalsContact O-O 3.13Å
109R98.1Very high96.9Very high103 Ų10338.1 Ų38.139%0.38920%0.202SC..EExtended strand (participates in β ladder)trans-139.8144174.5-62171.5-172.2-143.611.4109.4M88 I111 E180 M182 R183M88-R109 PolarHBondContact N-O 2.86Å; M88-R109 PolarHBondContact O-N 2.86Å; R109-I111 HydrophobicContact CB-CD1 4.28Å; R109-E180 WeakPolarHBondContact CD-OE2 3.28Å; R109-E180 IonicContact CZ-OE2 2.67Å; R109-E180 IonicContact NE-OE2 3.97Å; R109-E180 IonicContact NH1-OE2 2.88Å; R109-E180 PolarHBondContact NH1-OE2 2.94Å; R109-M182 CarbonylContact C-O 3.53Å; R109-M182 WeakPolarHBondContact CA-O 3.33Å; R109-R183 HydrophobicContact CG-CB 4.3Å; R109-R183 HydrophobicContact CG-CG 3.96Å
110V98Very high97.2Very high0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-109.1105170.4-176.20000107.3L85 F124 L181 M182 Y184 F307L85-V110 HydrophobicContact CD2-CG1 4.06Å; V110-F124 HydrophobicContact CG1-CZ 4.44Å; V110-L181 HydrophobicContact CG1-CB 4.5Å; V110-L181 HydrophobicContact CG1-CD2 4.39Å; V110-L181 PolarHBondContact O-N 2.82Å; V110-M182 HydrophobicContact CB-CG 3.74Å; V110-M182 HydrophobicContact CG2-CG 3.53Å; V110-M182 HydrophobicContact CG2-SD 3.98Å; V110-M182 PolarHBondContact N-O 2.91Å; V110-Y184 HydrophobicContact CG2-CE1 4.11Å; V110-F307 HydrophobicContact CG2-CE1 4.4Å; V110-F307 HydrophobicContact CG2-CZ 4.16Å
111I98.3Very high97.2Very high28 Ų2833.7 Ų33.714%0.14418%0.177CC..EExtended strand (participates in β ladder)trans-92129.5173.5-49.1-57.5000107.7D86 M88 R109 E178 E180D86-I111 HydrophobicContact CB-CB 4.18Å; D86-I111 PolarHBondContact N-O 2.81Å; D86-I111 PolarHBondContact O-N 2.84Å; M88-I111 HydrophobicContact CG-CG1 4.36Å; R109-I111 HydrophobicContact CB-CD1 4.28Å; I111-E178 HydrophobicContact CG2-CG 3.74Å; I111-E180 HydrophobicContact CD1-CB 3.78Å; I111-E180 HydrophobicContact CD1-CG 3.86Å
112M98.1Very high97.2Very high0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-115.9133.1-179.5-178.1166.9178.300109.4L83 F84 L85 F172 P174 E178 F179 L181L83-M112 HydrophobicContact CD1-CE 3.66Å; L83-M112 HydrophobicContact CD2-CE 3.26Å; L83-M112 HydrophobicContact CG-CE 3.99Å; F84-M112 CarbonylContact O-C 3.55Å; F84-M112 WeakPolarHBondContact O-CA 3.35Å; L85-M112 HydrophobicContact CD2-CB 3.78Å; L85-M112 HydrophobicContact CD2-CG 3.74Å; L85-M112 HydrophobicContact CD2-SD 4.02Å; M112-F172 HydrophobicContact CE-CE2 4.05Å; M112-F172 HydrophobicContact CE-CZ 4.25Å; M112-F172 HydrophobicContact SD-CE2 3.62Å; M112-F172 HydrophobicContact SD-CZ 3.81Å; M112-P174 HydrophobicContact CE-CB 4.02Å; M112-P174 HydrophobicContact CE-CG 4.28Å; M112-P174 HydrophobicContact SD-CB 4.4Å; M112-E178 CarbonylContact O-C 3.55Å; M112-E178 WeakPolarHBondContact O-CA 3.43Å; M112-F179 HydrophobicContact CB-CD1 4.29Å; M112-F179 HydrophobicContact CB-CE1 3.71Å; M112-F179 HydrophobicContact CB-CE2 4.46Å; M112-F179 HydrophobicContact CB-CZ 3.8Å; M112-F179 HydrophobicContact CG-CE1 3.73Å; M112-F179 HydrophobicContact CG-CZ 3.93Å; M112-F179 PolarHBondContact N-O 2.84Å; M112-F179 PolarHBondContact O-N 2.85Å; M112-F179 HydrophobicContact SD-CE1 3.96Å; M112-F179 HydrophobicContact SD-CZ 3.64Å; M112-L181 HydrophobicContact CB-CB 4.41Å; M112-L181 HydrophobicContact SD-CD2 4.41Å
113K97.8Very high97.1Very high53 Ų5329.5 Ų29.523%0.2315%0.149CC..EExtended strand (participates in β ladder)trans-109.4115166.3-47.5-173.4-174.3-143.70108.3L83 F84 Y115 G177 E178L83-K113 WeakPolarHBondContact CA-O 3.49Å; F84-K113 HydrophobicContact CB-CB 4.08Å; F84-K113 HydrophobicContact CB-CG 4.39Å; F84-K113 HydrophobicContact CD2-CB 4.19Å; F84-K113 PolarHBondContact N-O 2.82Å; F84-K113 PolarHBondContact O-N 3.19Å; K113-Y115 HydrophobicContact CB-CE2 4.07Å; K113-G177 CarbonylContact C-O 3.53Å; K113-G177 VanDerWaalsContact CA-O 3.32Å; K113-G177 WeakPolarHBondContact CA-O 2.98Å; K113-E178 WeakPolarHBondContact CE-OE2 3.47Å; K113-E178 HydrophobicContact CG-CB 4.14Å; K113-E178 HydrophobicContact CG-CG 4.14Å; K113-E178 IonicContact NZ-OE2 2.83Å; K113-E178 PolarHBondContact NZ-OE2 3.48Å
114S97.4Very high97Very high0 Ų026.6 Ų26.60%013%0.129CC..EExtended strand (participates in β ladder)trans-110.3113.2-175.7-175.60000110.8P174 P175 G177S114-P174 WeakPolarHBondContact OG-CG 3.38Å; S114-P175 WeakPolarHBondContact CB-O 3.29Å; S114-G177 PolarHBondContact N-O 2.89Å; S114-G177 PolarHBondContact O-N 2.9Å
115Y97.7Very high96.7Very high82 Ų8225.8 Ų25.832%0.32212%0.122SC..EExtended strand (participates in β ladder)trans-118.170.7171.6-55.2-67.4000108.1Y78 N81 E82 F84 K113Y78-Y115 AromaticContact CE1-CD1 3.75Å; Y78-Y115 HydrophobicContact CE1-CD1 3.75Å; Y78-Y115 HydrophobicContact CE1-CG 4.26Å; Y78-Y115 VanDerWaalsContact CE2-C 3.5Å; Y78-Y115 AromaticContact CZ-CD1 3.77Å; N81-Y115 CarbonylContact C-O 3.49Å; N81-Y115 VanDerWaalsContact CA-O 3.31Å; N81-Y115 WeakPolarHBondContact CA-O 3.08Å; E82-Y115 PolarHBondContact N-O 2.8Å; E82-Y115 PolarHBondContact O-N 3.49Å; F84-Y115 HydrophobicContact CD2-CD2 4.11Å; F84-Y115 HydrophobicContact CD2-CE2 4.07Å; F84-Y115 AromaticContact CE2-CD2 3.84Å; F84-Y115 HydrophobicContact CE2-CD2 3.84Å; F84-Y115 AromaticContact CE2-CE2 3.96Å; F84-Y115 HydrophobicContact CE2-CE2 3.96Å; K113-Y115 HydrophobicContact CB-CE2 4.07Å
116L97.9Very high96.4Very high0 Ų023.3 Ų23.30%011%0.111CC..  trans-116.1144.3-175.5-63.1-178.5000111.1R72 I76 Y78 N81 L83 P120 P174 V314 V326R72-L116 PolarHBondContact NH2-O 2.92Å; I76-L116 WeakPolarHBondContact CG2-O 3.3Å; Y78-L116 VanDerWaalsContact CD2-C 3.45Å; Y78-L116 VanDerWaalsContact CD2-O 3.3Å; Y78-L116 WeakPolarHBondContact CD2-O 3.13Å; Y78-L116 WeakPolarHBondContact CE2-O 3.34Å; N81-L116 HydrophobicContact CB-CD2 3.8Å; L83-L116 HydrophobicContact CD1-CD1 4.11Å; L83-L116 HydrophobicContact CD2-CD1 3.67Å; L83-L116 HydrophobicContact CD2-CD2 4.02Å; L83-L116 HydrophobicContact CD2-CG 3.66Å; L83-L116 HydrophobicContact CG-CD1 4.09Å; L83-L116 HydrophobicContact CG-CD2 3.96Å; L83-L116 HydrophobicContact CG-CG 4.14Å; L116-P120 HydrophobicContact CB-CG 3.7Å; L116-P120 HydrophobicContact CD1-CB 3.99Å; L116-P120 HydrophobicContact CD1-CG 3.45Å; L116-P120 VanDerWaalsContact CD1-CG 3.45Å; L116-P120 HydrophobicContact CG-CG 4.24Å; L116-P174 HydrophobicContact CD1-CG 4.11Å; L116-V314 HydrophobicContact CD1-CG1 3.91Å; L116-V326 HydrophobicContact CD2-CG1 3.69Å; L116-V326 HydrophobicContact CD2-CG2 4.08Å
117S97.5Very high96.1Very high8 Ų823.8 Ų23.86%0.05611%0.114CC..SBendtrans-82.6146.8176.3-52.80000111.3I76 Y78 N81 Y321I76-S117 CarbonylContact O-C 3.58Å; I76-S117 VanDerWaalsContact O-CA 3.3Å; I76-S117 WeakPolarHBondContact O-CA 3.49Å; Y78-S117 PolarHBondContact N-OG 3.4Å; Y78-S117 PolarHBondContact O-OG 2.83Å; N81-S117 WeakPolarHBondContact OD1-CB 3.49Å; N81-S117 PolarHBondContact OD1-N 3.29Å; N81-S117 PolarHBondContact OD1-OG 2.75Å; S117-Y321 PolarHBondContact N-OH 3.01Å; S117-Y321 VanDerWaalsContact O-CE1 3.26Å; S117-Y321 WeakPolarHBondContact O-CE1 3.24Å; S117-Y321 PolarHBondContact O-OH 3.45Å
118G95.6Very high95.4Very high9 Ų922.6 Ų22.69%0.09310%0.102CC..SBendtrans76-146.4176.500000114R72 I76 P120R72-G118 VanDerWaalsContact CZ-O 3.26Å; R72-G118 PolarHBondContact NE-O 2.81Å; R72-G118 PolarHBondContact NH2-O 2.91Å; I76-G118 PolarHBondContact O-N 3.34Å; G118-P120 WeakPolarHBondContact O-CD 3.45Å
119M95.2Very high94.4Very high32 Ų3225.7 Ų25.716%0.15812%0.115CC..SBendtrans-120.360-179.4-64.3-62.8-75.400111I69 R72 R73 E74 I173 E316I69-M119 HydrophobicContact CB-CE 4.31Å; I69-M119 HydrophobicContact CD1-CE 4.18Å; I69-M119 HydrophobicContact CG2-CE 3.75Å; R72-M119 HydrophobicContact CB-CE 4.07Å; R72-M119 HydrophobicContact CB-SD 4.17Å; R72-M119 VanDerWaalsContact CD-SD 3.58Å; R72-M119 HydrophobicContact CG-CE 4.22Å; R72-M119 HydrophobicContact CG-SD 3.67Å; R73-M119 VanDerWaalsContact O-SD 3.42Å; E74-M119 HydrophobicContact CG-CG 3.99Å; E74-M119 HydrophobicContact CG-SD 4.17Å; M119-I173 HydrophobicContact CE-CG2 4.35Å; M119-E316 VanDerWaalsContact CA-OE2 3.25Å; M119-E316 WeakPolarHBondContact CA-OE2 3.43Å; M119-E316 PolarHBondContact N-OE2 2.55Å
120P96.9Very high93.2Very high0 Ų024.3 Ų24.30%012%0.118CC..  trans-66.6138.3-170.627.5-36.7000111.8L116 G118 P174 V314 F315 E316 Y321L116-P120 HydrophobicContact CB-CG 3.7Å; L116-P120 HydrophobicContact CD1-CB 3.99Å; L116-P120 HydrophobicContact CD1-CG 3.45Å; L116-P120 VanDerWaalsContact CD1-CG 3.45Å; L116-P120 HydrophobicContact CG-CG 4.24Å; G118-P120 WeakPolarHBondContact O-CD 3.45Å; P120-P174 HydrophobicContact CG-CG 4.43Å; P120-P174 WeakPolarHBondContact O-CD 3.42Å; P120-V314 HydrophobicContact CB-CG1 3.91Å; P120-F315 CarbonylContact C-O 3.39Å; P120-F315 WeakPolarHBondContact CA-O 3.22Å; P120-E316 WeakPolarHBondContact CA-OE2 3.25Å; P120-E316 HydrophobicContact CB-CB 4.24Å; P120-Y321 WeakPolarHBondContact CB-OH 3.46Å
121E95.7Very high91.7Very high55 Ų5524.8 Ų24.826%0.25712%0.122SC..EExtended strand (participates in β ladder)trans-87.3126166.1-169.3167.9-142.500109.6K160 R163 S171 F315E121-K160 IonicContact OE1-NZ 2.66Å; E121-K160 PolarHBondContact OE1-NZ 3.05Å; E121-R163 IonicContact OE1-NH1 3.89Å; E121-S171 PolarHBondContact OE1-OG 3.35Å; E121-F315 PolarHBondContact N-O 3.43Å; E121-F315 PolarHBondContact O-N 2.9Å
122C96.4Very high89.9Confident0 Ų024.7 Ų24.70%012%0.121CC..EExtended strand (participates in β ladder)trans-108.6141.1178.5-67.70000110.3S171 F172 K313C122-S171 WeakPolarHBondContact O-CA 3.38Å; C122-F172 HydrophobicContact CB-CD1 4.17Å; C122-F172 HydrophobicContact CB-CD2 4.13Å; C122-F172 HydrophobicContact CB-CE1 3.79Å; C122-F172 HydrophobicContact CB-CE2 3.75Å; C122-F172 HydrophobicContact CB-CG 4.33Å; C122-F172 HydrophobicContact CB-CZ 3.57Å; C122-F172 PolarHBondContact N-O 2.82Å; C122-F172 PolarHBondContact O-N 3.2Å; C122-K313 CarbonylContact C-O 3.58Å; C122-K313 VanDerWaalsContact CA-O 3.28Å; C122-K313 WeakPolarHBondContact CA-O 3.35Å
123K94.3Very high88.2Confident72 Ų7229.6 Ų29.631%0.31314%0.144SC..EExtended strand (participates in β ladder)trans-121122168.5-63.2-169.3177.8-165.40110.2T169 I170 F311 L312 K313K123-T169 HydrophobicContact CB-CG2 4.04Å; K123-T169 HydrophobicContact CD-CG2 4.36Å; K123-T169 HydrophobicContact CG-CG2 4.5Å; K123-I170 CarbonylContact C-O 3.58Å; K123-I170 VanDerWaalsContact CA-O 3.32Å; K123-I170 WeakPolarHBondContact CA-O 3.49Å; K123-F311 HydrophobicContact CB-CE2 4.43Å; K123-L312 WeakPolarHBondContact O-CA 3.26Å; K123-K313 HydrophobicContact CB-CB 4.3Å; K123-K313 PolarHBondContact N-O 3.29Å; K123-K313 PolarHBondContact O-N 3.5Å
124F93.8Very high86.5Confident0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-114.6131.1179.9175.4-114.9000110.4L85 V110 F126 I170 F172 L181 M182 F307 V309 L312L85-F124 HydrophobicContact CD1-CD2 4.13Å; L85-F124 HydrophobicContact CD1-CE2 3.79Å; V110-F124 HydrophobicContact CG1-CZ 4.44Å; F124-F126 HydrophobicContact CD1-CD1 4.28Å; F124-F126 HydrophobicContact CE1-CB 4.48Å; F124-F126 AromaticContact CE1-CD1 3.8Å; F124-F126 HydrophobicContact CE1-CD1 3.8Å; F124-F126 HydrophobicContact CE1-CG 4.5Å; F124-F126 HydrophobicContact CZ-CB 4.33Å; F124-F126 HydrophobicContact CZ-CD1 4.46Å; F124-I170 HydrophobicContact CB-CB 4.28Å; F124-I170 HydrophobicContact CD1-CB 4.43Å; F124-I170 HydrophobicContact CD1-CD1 3.7Å; F124-I170 HydrophobicContact CE1-CD1 4.23Å; F124-I170 PolarHBondContact N-O 3.3Å; F124-I170 PolarHBondContact O-N 3.21Å; F124-F172 HydrophobicContact CB-CE1 3.72Å; F124-F172 HydrophobicContact CB-CZ 4.36Å; F124-L181 HydrophobicContact CD1-CD2 4.06Å; F124-L181 HydrophobicContact CG-CD2 4.32Å; F124-M182 HydrophobicContact CE1-SD 3.97Å; F124-F307 HydrophobicContact CE1-CZ 4.17Å; F124-F307 HydrophobicContact CZ-CE1 4.08Å; F124-F307 AromaticContact CZ-CZ 3.89Å; F124-F307 HydrophobicContact CZ-CZ 3.89Å; F124-V309 HydrophobicContact CD2-CG1 4.27Å; F124-V309 HydrophobicContact CE2-CB 4.2Å; F124-V309 HydrophobicContact CE2-CG1 3.67Å; F124-V309 HydrophobicContact CE2-CG2 3.71Å; F124-V309 HydrophobicContact CZ-CG2 4.06Å; F124-L312 HydrophobicContact CB-CD1 4.11Å; F124-L312 HydrophobicContact CD2-CD1 4.2Å
125G91.1Very high84.6Confident2 Ų236.7 Ų36.72%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-132.8139.6177.100000111.2R310 F311G125-R310 WeakPolarHBondContact O-CB 3.45Å; G125-R310 PolarHBondContact O-N 2.6Å; G125-F311 PolarHBondContact N-O 3.32Å; G125-F311 PolarHBondContact O-N 2.76Å; G125-F311 VanDerWaalsContact O-N 3.13Å
126F91.9Very high82.6Confident7 Ų736.5 Ų36.53%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-132172.5179.860.6-83.9000110.5F124 D128 I148 I150 F164 I170 M182 F307 K308 R310F124-F126 HydrophobicContact CD1-CD1 4.28Å; F124-F126 HydrophobicContact CE1-CB 4.48Å; F124-F126 AromaticContact CE1-CD1 3.8Å; F124-F126 HydrophobicContact CE1-CD1 3.8Å; F124-F126 HydrophobicContact CE1-CG 4.5Å; F124-F126 HydrophobicContact CZ-CB 4.33Å; F124-F126 HydrophobicContact CZ-CD1 4.46Å; F126-D128 HydrophobicContact CD2-CB 4Å; F126-D128 HydrophobicContact CE2-CB 3.51Å; F126-D128 HydrophobicContact CZ-CB 4.09Å; F126-D128 PolarHBondContact O-N 3.24Å; F126-I148 HydrophobicContact CD2-CG2 4.24Å; F126-I148 HydrophobicContact CE2-CG2 4.49Å; F126-I150 HydrophobicContact CD2-CD1 4.22Å; F126-I150 HydrophobicContact CE2-CD1 3.33Å; F126-I150 HydrophobicContact CE2-CG1 4.45Å; F126-I150 HydrophobicContact CZ-CD1 3.88Å; F126-F164 HydrophobicContact CE1-CE2 4.38Å; F126-F164 HydrophobicContact CZ-CE2 4.48Å; F126-I170 HydrophobicContact CD1-CD1 4.16Å; F126-I170 HydrophobicContact CE1-CD1 3.6Å; F126-I170 HydrophobicContact CE1-CG1 4.49Å; F126-M182 HydrophobicContact CE1-CE 4.44Å; F126-M182 HydrophobicContact CE1-SD 4.39Å; F126-M182 HydrophobicContact CZ-CE 4.4Å; F126-F307 HydrophobicContact CB-CE1 3.92Å; F126-F307 HydrophobicContact CB-CE2 3.82Å; F126-F307 HydrophobicContact CB-CZ 3.4Å; F126-F307 HydrophobicContact CD1-CE2 4.3Å; F126-F307 HydrophobicContact CD1-CZ 4.12Å; F126-F307 HydrophobicContact CD2-CD2 4.15Å; F126-F307 AromaticContact CD2-CE2 3.42Å; F126-F307 HydrophobicContact CD2-CE2 3.42Å; F126-F307 VanDerWaalsContact CD2-CE2 3.42Å; F126-F307 AromaticContact CD2-CZ 3.92Å; F126-F307 HydrophobicContact CD2-CZ 3.92Å; F126-F307 HydrophobicContact CE2-CE2 4.05Å; F126-F307 AromaticContact CG-CE2 3.57Å; F126-F307 HydrophobicContact CG-CE2 3.57Å; F126-F307 AromaticContact CG-CZ 3.54Å; F126-F307 HydrophobicContact CG-CZ 3.54Å; F126-K308 VanDerWaalsContact CA-O 3.28Å; F126-K308 WeakPolarHBondContact CA-O 3.27Å; F126-K308 WeakPolarHBondContact CB-O 3.44Å; F126-R310 WeakPolarHBondContact O-CD 3.21Å
127N90.5Very high80.5Confident11 Ų1147.3 Ų47.36%0.05922%0.222CC..  trans-77.450-176.465.2-36.4000113.1K129 L132 G146 G147 I148 G306 K308 R310N127-K129 PolarHBondContact O-N 3.08Å; N127-L132 HydrophobicContact CB-CD1 4.16Å; N127-G146 PolarHBondContact ND2-O 2.86Å; N127-G147 CarbonylContact O-C 3.56Å; N127-G147 WeakPolarHBondContact O-CA 3.38Å; N127-I148 WeakPolarHBondContact O-CG2 3.36Å; N127-I148 PolarHBondContact O-N 2.66Å; N127-G306 PolarHBondContact ND2-O 3.05Å; N127-K308 HydrophobicContact CB-CB 4.42Å; N127-K308 PolarHBondContact N-O 2.78Å; N127-K308 VanDerWaalsContact N-O 3.08Å; N127-K308 PolarHBondContact OD1-N 3.28Å; N127-K308 PolarHBondContact OD1-O 2.9Å; N127-R310 HydrophobicContact CB-CG 4.39Å
128D83.5Confident78.3Confident13 Ų1351.6 Ų51.67%0.0725%0.252CS..BIsolated β-bridgetrans-60.9130.4174.3-173.716.1000111.3F126 V130 S131 L132 H168F126-D128 HydrophobicContact CD2-CB 4Å; F126-D128 HydrophobicContact CE2-CB 3.51Å; F126-D128 HydrophobicContact CZ-CB 4.09Å; F126-D128 PolarHBondContact O-N 3.24Å; D128-V130 VanDerWaalsContact C-N 3.27Å; D128-V130 PolarHBondContact O-N 3.22Å; D128-V130 PolarHBondContact OD1-N 3.49Å; D128-S131 WeakPolarHBondContact O-CB 3.28Å; D128-S131 PolarHBondContact O-N 2.93Å; D128-L132 WeakPolarHBondContact O-CD1 3.43Å; D128-L132 WeakPolarHBondContact O-CG 3.33Å; D128-L132 PolarHBondContact O-N 2.83Å; D128-H168 IonicContact OD2-ND1 3.03Å; D128-H168 PolarHBondContact OD2-ND1 2.83Å
129K77.4Confident76.1Confident65 Ų6555.7 Ų55.728%0.28328%0.275SS..Hα-helixtrans-59.5-39.8-179.9-165.8168-172.3165.90111.3N127 S131 L132 E133 I148 A149 E189N127-K129 PolarHBondContact O-N 3.08Å; K129-S131 PolarHBondContact O-N 3.46Å; K129-L132 PolarHBondContact O-N 3.17Å; K129-E133 WeakPolarHBondContact O-CG 3.44Å; K129-E133 PolarHBondContact O-N 3.23Å; K129-I148 WeakPolarHBondContact CB-O 3.48Å; K129-I148 PolarHBondContact N-O 2.8Å; K129-A149 HydrophobicContact CD-CB 4.28Å; K129-E189 IonicContact NZ-OE1 2.69Å; K129-E189 PolarHBondContact NZ-OE1 2.86Å
130V71.9Confident73.4Confident73 Ų7359.8 Ų59.844%0.44231%0.314SS..Hα-helixtrans-63.9-42.6178.8-170.40000111.3D128 L132 N134 H168D128-V130 VanDerWaalsContact C-N 3.27Å; D128-V130 PolarHBondContact O-N 3.22Å; D128-V130 PolarHBondContact OD1-N 3.49Å; V130-L132 VanDerWaalsContact C-N 3.33Å; V130-L132 PolarHBondContact O-N 3.27Å; V130-N134 PolarHBondContact O-N 3.41Å; V130-H168 WeakPolarHBondContact CG1-CE1 3.23Å
131S66.4Low70.9Confident11 Ų1162.4 Ų62.48%0.07734%0.341CS..Hα-helixtrans-63.6-37.6175.6-171.40000112.9D128 K129 K135D128-S131 WeakPolarHBondContact O-CB 3.28Å; D128-S131 PolarHBondContact O-N 2.93Å; K129-S131 PolarHBondContact O-N 3.46Å; S131-K135 PolarHBondContact O-N 3.09Å
132L60.8Low68Low25 Ų2566.8 Ų66.813%0.13137%0.372CS..Hα-helixtrans-72.1-43.7-179-78.4156.7000111.7N127 D128 K129 V130 N134 K135 Q136N127-L132 HydrophobicContact CB-CD1 4.16Å; D128-L132 WeakPolarHBondContact O-CD1 3.43Å; D128-L132 WeakPolarHBondContact O-CG 3.33Å; D128-L132 PolarHBondContact O-N 2.83Å; K129-L132 PolarHBondContact O-N 3.17Å; V130-L132 VanDerWaalsContact C-N 3.33Å; V130-L132 PolarHBondContact O-N 3.27Å; L132-N134 PolarHBondContact O-N 3.45Å; L132-K135 PolarHBondContact O-N 3.42Å; L132-Q136 PolarHBondContact O-N 2.96Å
133E63.4Low65.5Low103 Ų10374.8 Ų74.848%0.48141%0.409SS..Hα-helixtrans-62.7-41.1178.4-72.9177.4-177.600112K129 K135 Q136 R137K129-E133 WeakPolarHBondContact O-CG 3.44Å; K129-E133 PolarHBondContact O-N 3.23Å; E133-K135 VanDerWaalsContact C-N 3.27Å; E133-K135 PolarHBondContact O-N 3.37Å; E133-Q136 PolarHBondContact O-N 2.8Å; E133-R137 PolarHBondContact O-N 2.83Å
134N60.5Low63.4Low92 Ų9279.2 Ų79.249%0.49244%0.437SS..Hα-helixtrans-63.4-31.6176.4-80.9-18.7000113V130 L132V130-N134 PolarHBondContact O-N 3.41Å; L132-N134 PolarHBondContact O-N 3.45Å
135K57.7Low61.4Low111 Ų11181.1 Ų81.148%0.48345%0.45SS..Hα-helixtrans-81-36.8174.8-76.6179.7178.3173.20112.7S131 L132 E133 R137 S138S131-K135 PolarHBondContact O-N 3.09Å; L132-K135 PolarHBondContact O-N 3.42Å; E133-K135 VanDerWaalsContact C-N 3.27Å; E133-K135 PolarHBondContact O-N 3.37Å; K135-R137 PolarHBondContact O-N 3.3Å; K135-S138 PolarHBondContact O-N 2.77Å; K135-S138 PolarHBondContact O-OG 3.17Å
136Q56Low60.1Low78 Ų7883.5 Ų83.536%0.36448%0.475SS..Hα-helixtrans-65.3-25.4-179.9-81.5-173.9-2000113.5L132 E133 S138 T139 E143 S145L132-Q136 PolarHBondContact O-N 2.96Å; E133-Q136 PolarHBondContact O-N 2.8Å; Q136-S138 PolarHBondContact O-N 3.01Å; Q136-T139 CarbonylContact O-C 3.47Å; Q136-T139 PolarHBondContact O-N 2.84Å; Q136-T139 VanDerWaalsContact O-N 3.14Å; Q136-T139 VanDerWaalsContact O-O 3.14Å; Q136-E143 PolarHBondContact NE2-O 2.87Å; Q136-S145 PolarHBondContact NE2-OG 2.96Å; Q136-S145 VanDerWaalsContact NE2-OG 3.08Å
137R53.5Low59.3Low226 Ų22683.5 Ų83.585%0.85348%0.476SS*.THydrogen-bonded Turntrans-58.7-18.4169.7-76-176173.6-178.4-0.6114E133 K135E133-R137 PolarHBondContact O-N 2.83Å; K135-R137 PolarHBondContact O-N 3.3Å
138S52.7Low59.1Low98 Ų9883.1 Ų83.169%0.68547%0.474SS*.THydrogen-bonded Turntrans-94.4-11.1178.565.70000114.8K135 Q136K135-S138 PolarHBondContact O-N 2.77Å; K135-S138 PolarHBondContact O-OG 3.17Å; Q136-S138 PolarHBondContact O-N 3.01Å
139T48Very low59.2Low95 Ų9583.4 Ų83.458%0.58348%0.479SS*.SBendtrans-143.3105.2-179.652.30000110.3Q136 G141Q136-T139 CarbonylContact O-C 3.47Å; Q136-T139 PolarHBondContact O-N 2.84Å; Q136-T139 VanDerWaalsContact O-N 3.14Å; Q136-T139 VanDerWaalsContact O-O 3.14Å; T139-G141 PolarHBondContact O-N 2.92Å
140A40.1Very low59.8Low118 Ų11882 Ų8298%0.97547%0.474SS*.  trans-65.497.6174.900000110.2
141G43.4Very low60.7Low55 Ų5581.3 Ų81.357%0.56747%0.467SS*.  trans-163.3104.7178.100000110.7T139 E143T139-G141 PolarHBondContact O-N 2.92Å; G141-E143 PolarHBondContact O-N 3.39Å; G141-E143 VanDerWaalsContact O-N 3.13Å
142T35.4Very low61.8Low148 Ų14883.8 Ų83.891%0.90848%0.48SS*.  trans-6097.3174.1340000112.1
143E44.4Very low63.3Low167 Ų16784.9 Ų84.978%0.7849%0.489SS*.  trans-141.5129.3146.2-71.1-165.6165.400107.7Q136 G141 S145Q136-E143 PolarHBondContact NE2-O 2.87Å; G141-E143 PolarHBondContact O-N 3.39Å; G141-E143 VanDerWaalsContact O-N 3.13Å; E143-S145 PolarHBondContact O-N 2.85Å
144D49.1Very low64.7Low165 Ų16585.9 Ų85.988%0.88249%0.494SS*.  trans-58.186.6175.3-170.618.3000108.7G146D144-G146 VanDerWaalsContact C-N 3.26Å; D144-G146 PolarHBondContact O-N 2.82Å
145S51.5Low66.3Low41 Ų4183.7 Ų83.729%0.28748%0.48SS..  trans-75.986.4-171.965.50000107Q136 E143 G147Q136-S145 PolarHBondContact NE2-OG 2.96Å; Q136-S145 VanDerWaalsContact NE2-OG 3.08Å; E143-S145 PolarHBondContact O-N 2.85Å; S145-G147 PolarHBondContact O-N 2.99Å
146G64.1Low68Low52 Ų5280.7 Ų80.754%0.53647%0.468SS..  trans-45.382.3-173.600000113.9N127 D144N127-G146 PolarHBondContact ND2-O 2.86Å; D144-G146 VanDerWaalsContact C-N 3.26Å; D144-G146 PolarHBondContact O-N 2.82Å
147G75.9Confident69.7Low6 Ų682.4 Ų82.46%0.06248%0.476CS..  trans-97.7138.7-177.300000108.8N127 S145 A149N127-G147 CarbonylContact O-C 3.56Å; N127-G147 WeakPolarHBondContact O-CA 3.38Å; S145-G147 PolarHBondContact O-N 2.99Å; G147-A149 PolarHBondContact O-N 2.87Å
148I85.9Confident71.6Confident4 Ų471.8 Ų71.82%0.02144%0.436CS..BIsolated β-bridgetrans-75.5127.5176.6-174.7-178.5000109.2F126 N127 K129 I150 Y184 T186 S305 F307F126-I148 HydrophobicContact CD2-CG2 4.24Å; F126-I148 HydrophobicContact CE2-CG2 4.49Å; N127-I148 WeakPolarHBondContact O-CG2 3.36Å; N127-I148 PolarHBondContact O-N 2.66Å; K129-I148 WeakPolarHBondContact CB-O 3.48Å; K129-I148 PolarHBondContact N-O 2.8Å; I148-I150 HydrophobicContact CD1-CG1 3.97Å; I148-I150 HydrophobicContact CG1-CG1 4.07Å; I148-I150 HydrophobicContact CG2-CD1 4.27Å; I148-I150 HydrophobicContact CG2-CG1 4.03Å; I148-I150 PolarHBondContact O-N 3.42Å; I148-Y184 HydrophobicContact CD1-CD2 4.33Å; I148-Y184 HydrophobicContact CD1-CE2 3.97Å; I148-T186 HydrophobicContact CD1-CG2 4.35Å; I148-S305 VanDerWaalsContact CD1-OG 3.27Å; I148-S305 WeakPolarHBondContact CD1-OG 3.35Å; I148-F307 HydrophobicContact CD1-CB 4.04Å; I148-F307 HydrophobicContact CD1-CD2 3.97Å; I148-F307 HydrophobicContact CG2-CD2 4.19Å
149A85.4Confident73.5Confident19 Ų1967.6 Ų67.616%0.15741%0.406CS..  trans-83.6101.6166.400000108.9K129 G147 T186 K188K129-A149 HydrophobicContact CD-CB 4.28Å; G147-A149 PolarHBondContact O-N 2.87Å; A149-T186 VanDerWaalsContact O-CB 3.29Å; A149-T186 WeakPolarHBondContact O-CB 3Å; A149-T186 PolarHBondContact O-OG1 3.07Å; A149-K188 HydrophobicContact CB-CB 4.32Å; A149-K188 HydrophobicContact CB-CD 4.42Å
150I89.6Confident75.5Confident36 Ų3667.3 Ų67.319%0.18540%0.397CS..  trans-84.7127.1175.4-62.8-172.6000109F126 I148 D152 C153 Y184 F307F126-I150 HydrophobicContact CD2-CD1 4.22Å; F126-I150 HydrophobicContact CE2-CD1 3.33Å; F126-I150 HydrophobicContact CE2-CG1 4.45Å; F126-I150 HydrophobicContact CZ-CD1 3.88Å; I148-I150 HydrophobicContact CD1-CG1 3.97Å; I148-I150 HydrophobicContact CG1-CG1 4.07Å; I148-I150 HydrophobicContact CG2-CD1 4.27Å; I148-I150 HydrophobicContact CG2-CG1 4.03Å; I148-I150 PolarHBondContact O-N 3.42Å; I150-D152 WeakPolarHBondContact CG2-O 3.44Å; I150-C153 HydrophobicContact CG2-CB 4.16Å; I150-Y184 HydrophobicContact CD1-CD2 4.42Å; I150-Y184 HydrophobicContact CD1-CG 4.38Å; I150-F307 HydrophobicContact CD1-CE2 4.48Å
151D91Very high77.5Confident57 Ų5766.7 Ų66.731%0.30538%0.377SS..SBendtrans-79.1-45.6178-63.1-24.2000111.2R185 T187D151-R185 PolarHBondContact N-O 3.33Å; D151-R185 IonicContact OD2-CZ 3.21Å; D151-R185 IonicContact OD2-NH1 3.4Å; D151-R185 PolarHBondContact OD2-NH1 2.94Å; D151-R185 IonicContact OD2-NH2 2.87Å; D151-T187 VanDerWaalsContact CG-OG1 3.29Å; D151-T187 PolarHBondContact OD1-OG1 2.92Å; D151-T187 VanDerWaalsContact OD2-CB 3.23Å; D151-T187 WeakPolarHBondContact OD2-CB 3.45Å; D151-T187 WeakPolarHBondContact OD2-CG2 3.44Å; D151-T187 PolarHBondContact OD2-N 3.45Å; D151-T187 PolarHBondContact OD2-OG1 2.89Å
152D90.4Very high79.1Confident64 Ų6467.4 Ų67.434%0.34238%0.384SS..EExtended strand (participates in β ladder)trans-149.3151.517662.282.9000110.5I150 Y184 R185I150-D152 WeakPolarHBondContact CG2-O 3.44Å; D152-Y184 CarbonylContact O-C 3.59Å; D152-Y184 VanDerWaalsContact O-CA 3.24Å; D152-Y184 WeakPolarHBondContact O-CA 3.29Å; D152-R185 PolarHBondContact O-N 2.92Å; D152-R185 IonicContact OD2-CZ 3.71Å; D152-R185 IonicContact OD2-NE 2.6Å; D152-R185 PolarHBondContact OD2-NE 2.48Å; D152-R185 IonicContact OD2-NH2 3.3Å; D152-R185 PolarHBondContact OD2-NH2 2.78Å
153C91.3Very high80.6Confident47 Ų4765.5 Ų65.532%0.31836%0.36SS..EExtended strand (participates in β ladder)trans-139.4146.9175.159.30000111I150 F155 M182 R183I150-C153 HydrophobicContact CG2-CB 4.16Å; C153-F155 HydrophobicContact CB-CE2 4.28Å; C153-F155 HydrophobicContact CB-CZ 4.12Å; C153-F155 WeakPolarHBondContact SG-CE2 3.48Å; C153-M182 HydrophobicContact CB-CE 4.24Å; C153-R183 CarbonylContact C-O 3.39Å; C153-R183 VanDerWaalsContact CA-O 3.27Å; C153-R183 WeakPolarHBondContact CA-O 3.45Å
154Q93.6Very high81.8Confident125 Ų12559.1 Ų59.158%0.58433%0.33SS*.EExtended strand (participates in β ladder)trans-125.7133.8174.4-66.3-179.6-23.500107.6M182 R183Q154-M182 CarbonylContact O-C 3.52Å; Q154-M182 WeakPolarHBondContact O-CA 3.18Å; Q154-M182 WeakPolarHBondContact O-CB 3.34Å; Q154-R183 PolarHBondContact N-O 3.22Å; Q154-R183 PolarHBondContact O-N 2.88Å
155F93.3Very high82.5Confident45 Ų4559.1 Ų59.120%0.19732%0.324CS..EExtended strand (participates in β ladder)trans-110.9151.7-177.8-64.6-70.7000110.9C153 V159 L161 F164 I170 M182C153-F155 HydrophobicContact CB-CE2 4.28Å; C153-F155 HydrophobicContact CB-CZ 4.12Å; C153-F155 WeakPolarHBondContact SG-CE2 3.48Å; F155-V159 HydrophobicContact CB-CB 3.83Å; F155-V159 HydrophobicContact CB-CG1 4.13Å; F155-V159 HydrophobicContact CB-CG2 3.89Å; F155-V159 HydrophobicContact CD1-CG1 4.28Å; F155-V159 HydrophobicContact CD1-CG2 4.18Å; F155-V159 HydrophobicContact CG-CB 4.31Å; F155-V159 HydrophobicContact CG-CG1 4.08Å; F155-V159 HydrophobicContact CG-CG2 4.32Å; F155-L161 HydrophobicContact CB-CD2 4.26Å; F155-L161 HydrophobicContact CD2-CD2 3.53Å; F155-L161 HydrophobicContact CE2-CD2 4.28Å; F155-L161 HydrophobicContact CG-CD2 4.18Å; F155-F164 HydrophobicContact CE2-CD1 4.13Å; F155-F164 HydrophobicContact CE2-CE1 4.04Å; F155-F164 HydrophobicContact CE2-CZ 4.38Å; F155-F164 HydrophobicContact CZ-CD1 4.38Å; F155-F164 HydrophobicContact CZ-CD2 4.44Å; F155-F164 HydrophobicContact CZ-CE1 4.05Å; F155-F164 HydrophobicContact CZ-CE2 4.12Å; F155-F164 AromaticContact CZ-CZ 3.92Å; F155-F164 HydrophobicContact CZ-CZ 3.92Å; F155-I170 HydrophobicContact CD1-CD1 4.17Å; F155-I170 HydrophobicContact CE1-CD1 3.36Å; F155-I170 HydrophobicContact CE1-CG1 3.92Å; F155-I170 HydrophobicContact CZ-CD1 4.03Å; F155-I170 HydrophobicContact CZ-CG1 4.33Å; F155-M182 HydrophobicContact CD1-CB 3.62Å; F155-M182 HydrophobicContact CE1-CB 3.81Å; F155-M182 HydrophobicContact CE1-CE 3.88Å; F155-M182 HydrophobicContact CE1-CG 4.49Å; F155-M182 HydrophobicContact CE1-SD 3.95Å; F155-M182 HydrophobicContact CZ-CE 4.35Å
156H93.7Very high83.2Confident49 Ų4962.2 Ų62.223%0.22734%0.342CS..  trans-61150.4164.6-166.6-95.7000110.4C158 V159 E180 L181H156-C158 WeakPolarHBondContact ND1-CB 3.45Å; H156-C158 PolarHBondContact ND1-N 3.29Å; H156-C158 PolarHBondContact ND1-SG 3.05Å; H156-C158 PolarHBondContact O-N 2.94Å; H156-V159 WeakPolarHBondContact O-CB 3.35Å; H156-V159 PolarHBondContact O-N 2.66Å; H156-E180 WeakPolarHBondContact CB-O 3.36Å; H156-L181 PolarHBondContact N-O 3.41Å
157Q91.7Very high83.4Confident114 Ų11464.1 Ų64.153%0.53334%0.337SS..THydrogen-bonded Turntrans-55.4-19.1177.661.4173.6-400114.4D37 W71 V159D37-Q157 PolarHBondContact OD2-NE2 2.87Å; W71-Q157 HydrophobicContact CD2-CG 4.39Å; W71-Q157 HydrophobicContact CE3-CG 3.73Å; W71-Q157 HydrophobicContact CZ3-CB 4.49Å; W71-Q157 HydrophobicContact CZ3-CG 4.15Å; Q157-V159 PolarHBondContact O-N 2.84Å
158C93.2Very high83.3Confident2 Ų265.2 Ų65.21%0.01434%0.34CS..THydrogen-bonded Turntrans-72-13.2178.767.70000114.1W71 H156 F172 I173W71-C158 HydrophobicContact CD2-CB 3.89Å; W71-C158 HydrophobicContact CG-CB 4.17Å; W71-C158 VanDerWaalsContact CZ2-CA 3.42Å; W71-C158 HydrophobicContact CZ2-CB 3.77Å; W71-C158 VanDerWaalsContact NE1-CB 3.27Å; H156-C158 WeakPolarHBondContact ND1-CB 3.45Å; H156-C158 PolarHBondContact ND1-N 3.29Å; H156-C158 PolarHBondContact ND1-SG 3.05Å; H156-C158 PolarHBondContact O-N 2.94Å; C158-F172 HydrophobicContact CB-CB 4.4Å; C158-F172 VanDerWaalsContact O-CA 3.27Å; C158-F172 WeakPolarHBondContact O-CA 3.47Å; C158-F172 WeakPolarHBondContact O-CB 3.38Å; C158-I173 WeakPolarHBondContact CB-O 3.2Å
159V92.9Very high83.1Confident11 Ų1166 Ų667%0.06735%0.345CS..BIsolated β-bridgetrans-82.7127.4-178.8175.90000111.2F155 H156 Q157 L161 I170 F172 L181F155-V159 HydrophobicContact CB-CB 3.83Å; F155-V159 HydrophobicContact CB-CG1 4.13Å; F155-V159 HydrophobicContact CB-CG2 3.89Å; F155-V159 HydrophobicContact CD1-CG1 4.28Å; F155-V159 HydrophobicContact CD1-CG2 4.18Å; F155-V159 HydrophobicContact CG-CB 4.31Å; F155-V159 HydrophobicContact CG-CG1 4.08Å; F155-V159 HydrophobicContact CG-CG2 4.32Å; H156-V159 WeakPolarHBondContact O-CB 3.35Å; H156-V159 PolarHBondContact O-N 2.66Å; Q157-V159 PolarHBondContact O-N 2.84Å; V159-L161 HydrophobicContact CG1-CD2 4.17Å; V159-L161 PolarHBondContact O-N 3.03Å; V159-L161 VanDerWaalsContact O-N 3.12Å; V159-I170 HydrophobicContact CB-CG2 4.27Å; V159-I170 HydrophobicContact CG1-CG2 3.65Å; V159-I170 HydrophobicContact CG2-CG2 3.62Å; V159-F172 HydrophobicContact CG2-CB 4.2Å; V159-L181 HydrophobicContact CG2-CD1 3.88Å
160K89.3Confident83.3Confident89 Ų8965 Ų6539%0.38734%0.337SS..  trans-79.889.8174-61.2176.6-175.9172.10110E121 G162 R163 S171E121-K160 IonicContact OE1-NZ 2.66Å; E121-K160 PolarHBondContact OE1-NZ 3.05Å; K160-G162 VanDerWaalsContact C-N 3.3Å; K160-G162 PolarHBondContact O-N 3.4Å; K160-R163 PolarHBondContact O-N 3.44Å; K160-S171 PolarHBondContact N-O 3.25Å
161L82.9Confident83.5Confident105 Ų10563.4 Ų63.455%0.5533%0.329SS..Hα-helixtrans-58.3-35.9-175.6-64.6176.7000113.9F155 V159 R163 F164F155-L161 HydrophobicContact CB-CD2 4.26Å; F155-L161 HydrophobicContact CD2-CD2 3.53Å; F155-L161 HydrophobicContact CE2-CD2 4.28Å; F155-L161 HydrophobicContact CG-CD2 4.18Å; V159-L161 HydrophobicContact CG1-CD2 4.17Å; V159-L161 PolarHBondContact O-N 3.03Å; V159-L161 VanDerWaalsContact O-N 3.12Å; L161-R163 PolarHBondContact O-N 2.82Å; L161-F164 WeakPolarHBondContact O-CB 3.27Å; L161-F164 PolarHBondContact O-N 3.19Å
162G76.6Confident83.7Confident70 Ų7060.7 Ų60.772%0.72232%0.315SS*.Hα-helixtrans-60.8-18.5-177.400000115.3K160K160-G162 VanDerWaalsContact C-N 3.3Å; K160-G162 PolarHBondContact O-N 3.4Å
163R67.3Low84Confident108 Ų10858.6 Ų58.641%0.40830%0.303SS..Hα-helixtrans-96.8-19.9173.7-68.6-172.6-179.5169.9-3.1113.6E121 K160 L161 E165 T166 E167E121-R163 IonicContact OE1-NH1 3.89Å; K160-R163 PolarHBondContact O-N 3.44Å; L161-R163 PolarHBondContact O-N 2.82Å; R163-E165 VanDerWaalsContact C-N 3.35Å; R163-T166 PolarHBondContact O-OG1 2.77Å; R163-E167 WeakPolarHBondContact O-CB 3.32Å; R163-E167 PolarHBondContact O-N 3.22Å
164F68.7Low84.2Confident33 Ų3356.3 Ų56.315%0.14529%0.288CS..Hα-helixtrans-67.4-40.3-178.1176.6-107.1000111.1F126 F155 L161 T166 H168 I170F126-F164 HydrophobicContact CE1-CE2 4.38Å; F126-F164 HydrophobicContact CZ-CE2 4.48Å; F155-F164 HydrophobicContact CE2-CD1 4.13Å; F155-F164 HydrophobicContact CE2-CE1 4.04Å; F155-F164 HydrophobicContact CE2-CZ 4.38Å; F155-F164 HydrophobicContact CZ-CD1 4.38Å; F155-F164 HydrophobicContact CZ-CD2 4.44Å; F155-F164 HydrophobicContact CZ-CE1 4.05Å; F155-F164 HydrophobicContact CZ-CE2 4.12Å; F155-F164 AromaticContact CZ-CZ 3.92Å; F155-F164 HydrophobicContact CZ-CZ 3.92Å; L161-F164 WeakPolarHBondContact O-CB 3.27Å; L161-F164 PolarHBondContact O-N 3.19Å; F164-T166 PolarHBondContact O-N 3.05Å; F164-H168 WeakPolarHBondContact O-CA 3.44Å; F164-H168 PolarHBondContact O-N 3.28Å; F164-I170 HydrophobicContact CD2-CG1 3.62Å; F164-I170 HydrophobicContact CE2-CD1 4.33Å; F164-I170 HydrophobicContact CE2-CG1 3.84Å
165E65.2Low84.3Confident164 Ų16451 Ų5177%0.76626%0.264SS*.Hα-helixtrans-65.8-27.1-176.4-161.1151.3-156.200113.3R163R163-E165 VanDerWaalsContact C-N 3.35Å
166T64.5Low84.4Confident107 Ų10751.7 Ų51.766%0.65627%0.27SS*.Hα-helixtrans-96.1-44.7179.450.30000113.1R163 F164R163-T166 PolarHBondContact O-OG1 2.77Å; F164-T166 PolarHBondContact O-N 3.05Å
167E68.4Low84.4Confident92 Ų9250 Ų5043%0.4327%0.266SS..Hα-helixtrans-98.5-8-171.7-62.8-179.7-16900113.5R163 T169R163-E167 WeakPolarHBondContact O-CB 3.32Å; R163-E167 PolarHBondContact O-N 3.22Å; E167-T169 PolarHBondContact O-N 2.88Å; E167-T169 PolarHBondContact O-OG1 3.03Å
168H73.5Confident84.6Confident29 Ų2950.6 Ų50.613%0.13427%0.269CS..SBendtrans45.331.1-166.3-64.8-86.6000112.7D128 V130 F164D128-H168 IonicContact OD2-ND1 3.03Å; D128-H168 PolarHBondContact OD2-ND1 2.83Å; V130-H168 WeakPolarHBondContact CG1-CE1 3.23Å; F164-H168 WeakPolarHBondContact O-CA 3.44Å; F164-H168 PolarHBondContact O-N 3.28Å
169T82.5Confident84.7Confident19 Ų1951.4 Ų51.412%0.11727%0.272CS..  trans-122.6126.9-177-61.10000107.8K123 E167 S171 F311K123-T169 HydrophobicContact CB-CG2 4.04Å; K123-T169 HydrophobicContact CD-CG2 4.36Å; K123-T169 HydrophobicContact CG-CG2 4.5Å; E167-T169 PolarHBondContact O-N 2.88Å; E167-T169 PolarHBondContact O-OG1 3.03Å; T169-S171 PolarHBondContact O-N 3.03Å; T169-F311 HydrophobicContact CG2-CE2 4Å; T169-F311 HydrophobicContact CG2-CZ 3.98Å
170I90.1Very high84.9Confident0 Ų053.4 Ų53.40%028%0.281CS..EExtended strand (participates in β ladder)trans-86.8112.1-178.2-62.9165.2000107.1K123 F124 F126 F155 V159 F164 F172 M182K123-I170 CarbonylContact C-O 3.58Å; K123-I170 VanDerWaalsContact CA-O 3.32Å; K123-I170 WeakPolarHBondContact CA-O 3.49Å; F124-I170 HydrophobicContact CB-CB 4.28Å; F124-I170 HydrophobicContact CD1-CB 4.43Å; F124-I170 HydrophobicContact CD1-CD1 3.7Å; F124-I170 HydrophobicContact CE1-CD1 4.23Å; F124-I170 PolarHBondContact N-O 3.3Å; F124-I170 PolarHBondContact O-N 3.21Å; F126-I170 HydrophobicContact CD1-CD1 4.16Å; F126-I170 HydrophobicContact CE1-CD1 3.6Å; F126-I170 HydrophobicContact CE1-CG1 4.49Å; F155-I170 HydrophobicContact CD1-CD1 4.17Å; F155-I170 HydrophobicContact CE1-CD1 3.36Å; F155-I170 HydrophobicContact CE1-CG1 3.92Å; F155-I170 HydrophobicContact CZ-CD1 4.03Å; F155-I170 HydrophobicContact CZ-CG1 4.33Å; V159-I170 HydrophobicContact CB-CG2 4.27Å; V159-I170 HydrophobicContact CG1-CG2 3.65Å; V159-I170 HydrophobicContact CG2-CG2 3.62Å; F164-I170 HydrophobicContact CD2-CG1 3.62Å; F164-I170 HydrophobicContact CE2-CD1 4.33Å; F164-I170 HydrophobicContact CE2-CG1 3.84Å; I170-F172 HydrophobicContact CG2-CD1 3.8Å; I170-F172 HydrophobicContact CG2-CE1 4.19Å; I170-M182 HydrophobicContact CD1-SD 3.89Å
171S93.6Very high85.3Confident2 Ų249.2 Ų49.21%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-105.5128.9176.6-157.50000109.6E121 C122 K160 T169E121-S171 PolarHBondContact OE1-OG 3.35Å; C122-S171 WeakPolarHBondContact O-CA 3.38Å; K160-S171 PolarHBondContact N-O 3.25Å; T169-S171 PolarHBondContact O-N 3.03Å
172F95.4Very high85.9Confident0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-158.7161.9-17460.9-76.1000112.1M112 C122 F124 C158 V159 I170 P174 F179 L181M112-F172 HydrophobicContact CE-CE2 4.05Å; M112-F172 HydrophobicContact CE-CZ 4.25Å; M112-F172 HydrophobicContact SD-CE2 3.62Å; M112-F172 HydrophobicContact SD-CZ 3.81Å; C122-F172 HydrophobicContact CB-CD1 4.17Å; C122-F172 HydrophobicContact CB-CD2 4.13Å; C122-F172 HydrophobicContact CB-CE1 3.79Å; C122-F172 HydrophobicContact CB-CE2 3.75Å; C122-F172 HydrophobicContact CB-CG 4.33Å; C122-F172 HydrophobicContact CB-CZ 3.57Å; C122-F172 PolarHBondContact N-O 2.82Å; C122-F172 PolarHBondContact O-N 3.2Å; F124-F172 HydrophobicContact CB-CE1 3.72Å; F124-F172 HydrophobicContact CB-CZ 4.36Å; C158-F172 HydrophobicContact CB-CB 4.4Å; C158-F172 VanDerWaalsContact O-CA 3.27Å; C158-F172 WeakPolarHBondContact O-CA 3.47Å; C158-F172 WeakPolarHBondContact O-CB 3.38Å; V159-F172 HydrophobicContact CG2-CB 4.2Å; I170-F172 HydrophobicContact CG2-CD1 3.8Å; I170-F172 HydrophobicContact CG2-CE1 4.19Å; F172-P174 HydrophobicContact CD2-CB 4.12Å; F172-P174 HydrophobicContact CE2-CB 3.92Å; F172-P174 HydrophobicContact CE2-CG 4.45Å; F172-F179 HydrophobicContact CE2-CZ 4.26Å; F172-L181 HydrophobicContact CD1-CD1 4.15Å; F172-L181 HydrophobicContact CD2-CD1 3.84Å; F172-L181 HydrophobicContact CE1-CD1 4.07Å; F172-L181 HydrophobicContact CE1-CD2 4.05Å; F172-L181 HydrophobicContact CE2-CD1 3.74Å; F172-L181 HydrophobicContact CE2-CD2 4.3Å; F172-L181 HydrophobicContact CG-CD1 4.05Å; F172-L181 HydrophobicContact CZ-CD1 3.86Å; F172-L181 HydrophobicContact CZ-CD2 3.72Å; F172-L181 HydrophobicContact CZ-CG 4.47Å
173I96.1Very high86.9Confident19 Ų1945.1 Ų45.110%0.09722%0.218CC..  trans-107.8113.4165.4-68.3168000106.2I69 W71 R72 M119 C158I69-I173 HydrophobicContact CD1-CD1 3.42Å; I69-I173 VanDerWaalsContact CD1-CD1 3.42Å; I69-I173 HydrophobicContact CG1-CD1 4.38Å; I69-I173 HydrophobicContact CG2-CG2 4.5Å; W71-I173 PolarHBondContact NE1-O 2.9Å; R72-I173 HydrophobicContact CB-CG2 4.4Å; R72-I173 VanDerWaalsContact CD-CG2 3.48Å; M119-I173 HydrophobicContact CE-CG2 4.35Å; C158-I173 WeakPolarHBondContact CB-O 3.2Å
174P96.7Very high88.2Confident0 Ų040.1 Ų40.10%020%0.199CC..PPolyproline II helixtrans-69.6136.9-171.825.5-32.1000111.9R72 M112 S114 L116 P120 F172 F179R72-P174 VanDerWaalsContact CD-O 3.25Å; R72-P174 WeakPolarHBondContact CD-O 3.44Å; R72-P174 PolarHBondContact NH1-O 2.92Å; M112-P174 HydrophobicContact CE-CB 4.02Å; M112-P174 HydrophobicContact CE-CG 4.28Å; M112-P174 HydrophobicContact SD-CB 4.4Å; S114-P174 WeakPolarHBondContact OG-CG 3.38Å; L116-P174 HydrophobicContact CD1-CG 4.11Å; P120-P174 HydrophobicContact CG-CG 4.43Å; P120-P174 WeakPolarHBondContact O-CD 3.42Å; F172-P174 HydrophobicContact CD2-CB 4.12Å; F172-P174 HydrophobicContact CE2-CB 3.92Å; F172-P174 HydrophobicContact CE2-CG 4.45Å; P174-F179 HydrophobicContact CB-CE1 3.76Å; P174-F179 HydrophobicContact CB-CZ 3.74Å
175P94.9Very high89.6Confident13 Ų1342.8 Ų42.88%0.08421%0.208CC..PPolyproline II helixtrans-47.8154.3157.4-23.331.2000111.6W71 S114 F179W71-P175 HydrophobicContact CB-CG 4.11Å; W71-P175 HydrophobicContact CG-CG 4.18Å; W71-P175 WeakPolarHBondContact O-CA 3.1Å; S114-P175 WeakPolarHBondContact CB-O 3.29Å; P175-F179 HydrophobicContact CB-CB 4.38Å; P175-F179 HydrophobicContact CB-CD1 3.96Å; P175-F179 HydrophobicContact CB-CE1 4.43Å; P175-F179 HydrophobicContact CB-CG 4.07Å; P175-F179 HydrophobicContact CG-CB 4.35Å; P175-F179 HydrophobicContact CG-CD1 4.07Å; P175-F179 HydrophobicContact CG-CD2 3.9Å; P175-F179 HydrophobicContact CG-CE1 4.37Å; P175-F179 HydrophobicContact CG-CE2 4.21Å; P175-F179 HydrophobicContact CG-CG 3.84Å; P175-F179 HydrophobicContact CG-CZ 4.45Å
176D94.7Very high91Very high59 Ų5935 Ų3532%0.31617%0.172SC..SBendtrans-80.4139.1175.9-163.459.3000111.1R72 I76 Y78R72-D176 IonicContact NH1-OD1 3.4Å; I76-D176 HydrophobicContact CD1-CB 3.81Å; Y78-D176 WeakPolarHBondContact CE2-OD1 3.42Å; Y78-D176 VanDerWaalsContact OH-CG 3.24Å; Y78-D176 PolarHBondContact OH-OD1 3.05Å; Y78-D176 PolarHBondContact OH-OD2 2.77Å
177G94.9Very high92.5Very high15 Ų1532.8 Ų32.816%0.15516%0.159CC..EExtended strand (participates in β ladder)trans79.4-148.1-176.300000113.9K113 S114K113-G177 CarbonylContact C-O 3.53Å; K113-G177 VanDerWaalsContact CA-O 3.32Å; K113-G177 WeakPolarHBondContact CA-O 2.98Å; S114-G177 PolarHBondContact N-O 2.89Å; S114-G177 PolarHBondContact O-N 2.9Å
178E95.7Very high93.5Very high125 Ų12534.4 Ų34.458%0.58416%0.164SC*.EExtended strand (participates in β ladder)trans-90.8126.7-173.4-176.2174.9133.900112.1I111 M112 K113I111-E178 HydrophobicContact CG2-CG 3.74Å; M112-E178 CarbonylContact O-C 3.55Å; M112-E178 WeakPolarHBondContact O-CA 3.43Å; K113-E178 WeakPolarHBondContact CE-OE2 3.47Å; K113-E178 HydrophobicContact CG-CB 4.14Å; K113-E178 HydrophobicContact CG-CG 4.14Å; K113-E178 IonicContact NZ-OE2 2.83Å; K113-E178 PolarHBondContact NZ-OE2 3.48Å
179F95.4Very high94.2Very high20 Ų2038.9 Ų38.99%0.08819%0.185CC..EExtended strand (participates in β ladder)trans-149.3158.917571.8-78.2000112.3M112 F172 P174 P175 L181M112-F179 HydrophobicContact CB-CD1 4.29Å; M112-F179 HydrophobicContact CB-CE1 3.71Å; M112-F179 HydrophobicContact CB-CE2 4.46Å; M112-F179 HydrophobicContact CB-CZ 3.8Å; M112-F179 HydrophobicContact CG-CE1 3.73Å; M112-F179 HydrophobicContact CG-CZ 3.93Å; M112-F179 PolarHBondContact N-O 2.84Å; M112-F179 PolarHBondContact O-N 2.85Å; M112-F179 HydrophobicContact SD-CE1 3.96Å; M112-F179 HydrophobicContact SD-CZ 3.64Å; F172-F179 HydrophobicContact CE2-CZ 4.26Å; P174-F179 HydrophobicContact CB-CE1 3.76Å; P174-F179 HydrophobicContact CB-CZ 3.74Å; P175-F179 HydrophobicContact CB-CB 4.38Å; P175-F179 HydrophobicContact CB-CD1 3.96Å; P175-F179 HydrophobicContact CB-CE1 4.43Å; P175-F179 HydrophobicContact CB-CG 4.07Å; P175-F179 HydrophobicContact CG-CB 4.35Å; P175-F179 HydrophobicContact CG-CD1 4.07Å; P175-F179 HydrophobicContact CG-CD2 3.9Å; P175-F179 HydrophobicContact CG-CE1 4.37Å; P175-F179 HydrophobicContact CG-CE2 4.21Å; P175-F179 HydrophobicContact CG-CG 3.84Å; P175-F179 HydrophobicContact CG-CZ 4.45Å; F179-L181 HydrophobicContact CE2-CB 3.86Å; F179-L181 HydrophobicContact CE2-CD1 3.96Å; F179-L181 HydrophobicContact CZ-CB 4.43Å; F179-L181 HydrophobicContact CZ-CD1 4.42Å; F179-L181 PolarHBondContact O-N 3.01Å
180E97.3Very high94.7Very high53 Ų5339.2 Ų39.225%0.24819%0.186CC..EExtended strand (participates in β ladder)trans-85.1106172.8-175.7172.1126.200108.7R109 I111 H156 R183R109-E180 WeakPolarHBondContact CD-OE2 3.28Å; R109-E180 IonicContact CZ-OE2 2.67Å; R109-E180 IonicContact NE-OE2 3.97Å; R109-E180 IonicContact NH1-OE2 2.88Å; R109-E180 PolarHBondContact NH1-OE2 2.94Å; I111-E180 HydrophobicContact CD1-CB 3.78Å; I111-E180 HydrophobicContact CD1-CG 3.86Å; H156-E180 WeakPolarHBondContact CB-O 3.36Å; E180-R183 WeakPolarHBondContact OE1-CB 3.38Å; E180-R183 IonicContact OE1-CZ 2.81Å; E180-R183 VanDerWaalsContact OE1-CZ 3.29Å; E180-R183 IonicContact OE1-NE 2.79Å; E180-R183 PolarHBondContact OE1-NE 3.01Å; E180-R183 IonicContact OE1-NH2 3.06Å; E180-R183 PolarHBondContact OE1-NH2 2.84Å; E180-R183 IonicContact OE2-NH2 3.21Å; E180-R183 PolarHBondContact OE2-NH2 2.88Å
181L96.8Very high94.9Very high0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-70.1-45-179.917363.1000111.4V110 M112 F124 H156 V159 F172 F179V110-L181 HydrophobicContact CG1-CB 4.5Å; V110-L181 HydrophobicContact CG1-CD2 4.39Å; V110-L181 PolarHBondContact O-N 2.82Å; M112-L181 HydrophobicContact CB-CB 4.41Å; M112-L181 HydrophobicContact SD-CD2 4.41Å; F124-L181 HydrophobicContact CD1-CD2 4.06Å; F124-L181 HydrophobicContact CG-CD2 4.32Å; H156-L181 PolarHBondContact N-O 3.41Å; V159-L181 HydrophobicContact CG2-CD1 3.88Å; F172-L181 HydrophobicContact CD1-CD1 4.15Å; F172-L181 HydrophobicContact CD2-CD1 3.84Å; F172-L181 HydrophobicContact CE1-CD1 4.07Å; F172-L181 HydrophobicContact CE1-CD2 4.05Å; F172-L181 HydrophobicContact CE2-CD1 3.74Å; F172-L181 HydrophobicContact CE2-CD2 4.3Å; F172-L181 HydrophobicContact CG-CD1 4.05Å; F172-L181 HydrophobicContact CZ-CD1 3.86Å; F172-L181 HydrophobicContact CZ-CD2 3.72Å; F172-L181 HydrophobicContact CZ-CG 4.47Å; F179-L181 HydrophobicContact CE2-CB 3.86Å; F179-L181 HydrophobicContact CE2-CD1 3.96Å; F179-L181 HydrophobicContact CZ-CB 4.43Å; F179-L181 HydrophobicContact CZ-CD1 4.42Å; F179-L181 PolarHBondContact O-N 3.01Å
182M96Very high95Very high1 Ų143.7 Ų43.71%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-152.3154.617766.9178.5-6900111.8R109 V110 F124 F126 C153 Q154 F155 I170 Y184R109-M182 CarbonylContact C-O 3.53Å; R109-M182 WeakPolarHBondContact CA-O 3.33Å; V110-M182 HydrophobicContact CB-CG 3.74Å; V110-M182 HydrophobicContact CG2-CG 3.53Å; V110-M182 HydrophobicContact CG2-SD 3.98Å; V110-M182 PolarHBondContact N-O 2.91Å; F124-M182 HydrophobicContact CE1-SD 3.97Å; F126-M182 HydrophobicContact CE1-CE 4.44Å; F126-M182 HydrophobicContact CE1-SD 4.39Å; F126-M182 HydrophobicContact CZ-CE 4.4Å; C153-M182 HydrophobicContact CB-CE 4.24Å; Q154-M182 CarbonylContact O-C 3.52Å; Q154-M182 WeakPolarHBondContact O-CA 3.18Å; Q154-M182 WeakPolarHBondContact O-CB 3.34Å; F155-M182 HydrophobicContact CD1-CB 3.62Å; F155-M182 HydrophobicContact CE1-CB 3.81Å; F155-M182 HydrophobicContact CE1-CE 3.88Å; F155-M182 HydrophobicContact CE1-CG 4.49Å; F155-M182 HydrophobicContact CE1-SD 3.95Å; F155-M182 HydrophobicContact CZ-CE 4.35Å; I170-M182 HydrophobicContact CD1-SD 3.89Å; M182-Y184 HydrophobicContact CE-CD1 3.88Å; M182-Y184 HydrophobicContact CE-CG 4.34Å
183R97.1Very high95.1Very high89 Ų8943.7 Ų43.734%0.33621%0.214SC..EExtended strand (participates in β ladder)trans-120.6146165.5-175.9178-59.1177.512.2108.7G108 R109 C153 Q154 E180G108-R183 CarbonylContact O-C 3.58Å; G108-R183 WeakPolarHBondContact O-CA 3.39Å; G108-R183 WeakPolarHBondContact O-CG 3.27Å; R109-R183 HydrophobicContact CG-CB 4.3Å; R109-R183 HydrophobicContact CG-CG 3.96Å; C153-R183 CarbonylContact C-O 3.39Å; C153-R183 VanDerWaalsContact CA-O 3.27Å; C153-R183 WeakPolarHBondContact CA-O 3.45Å; Q154-R183 PolarHBondContact N-O 3.22Å; Q154-R183 PolarHBondContact O-N 2.88Å; E180-R183 WeakPolarHBondContact OE1-CB 3.38Å; E180-R183 IonicContact OE1-CZ 2.81Å; E180-R183 VanDerWaalsContact OE1-CZ 3.29Å; E180-R183 IonicContact OE1-NE 2.79Å; E180-R183 PolarHBondContact OE1-NE 3.01Å; E180-R183 IonicContact OE1-NH2 3.06Å; E180-R183 PolarHBondContact OE1-NH2 2.84Å; E180-R183 IonicContact OE2-NH2 3.21Å; E180-R183 PolarHBondContact OE2-NH2 2.88Å
184Y95.7Very high95.2Very high3 Ų342.8 Ų42.81%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-145.8161.7178.159.3-84.3000110.9E89 G108 V110 I148 I150 D152 M182 F307E89-Y184 PolarHBondContact OE1-OH 2.81Å; G108-Y184 PolarHBondContact N-O 2.83Å; G108-Y184 PolarHBondContact O-N 2.85Å; G108-Y184 VanDerWaalsContact O-O 3.13Å; V110-Y184 HydrophobicContact CG2-CE1 4.11Å; I148-Y184 HydrophobicContact CD1-CD2 4.33Å; I148-Y184 HydrophobicContact CD1-CE2 3.97Å; I150-Y184 HydrophobicContact CD1-CD2 4.42Å; I150-Y184 HydrophobicContact CD1-CG 4.38Å; D152-Y184 CarbonylContact O-C 3.59Å; D152-Y184 VanDerWaalsContact O-CA 3.24Å; D152-Y184 WeakPolarHBondContact O-CA 3.29Å; M182-Y184 HydrophobicContact CE-CD1 3.88Å; M182-Y184 HydrophobicContact CE-CG 4.34Å; Y184-F307 HydrophobicContact CE1-CD2 4.1Å; Y184-F307 HydrophobicContact CE1-CE2 4.11Å; Y184-F307 HydrophobicContact CE2-CD2 4.02Å; Y184-F307 AromaticContact CZ-CD2 3.66Å
185R96.5Very high95.2Very high88 Ų8847.6 Ų47.633%0.33223%0.228SC..EExtended strand (participates in β ladder)trans-129.8143.4172.9-170.2177.359.775.44.6109.8V106 D151 D152 T187V106-R185 WeakPolarHBondContact O-CA 3.35Å; D151-R185 PolarHBondContact N-O 3.33Å; D151-R185 IonicContact OD2-CZ 3.21Å; D151-R185 IonicContact OD2-NH1 3.4Å; D151-R185 PolarHBondContact OD2-NH1 2.94Å; D151-R185 IonicContact OD2-NH2 2.87Å; D152-R185 PolarHBondContact O-N 2.92Å; D152-R185 IonicContact OD2-CZ 3.71Å; D152-R185 IonicContact OD2-NE 2.6Å; D152-R185 PolarHBondContact OD2-NE 2.48Å; D152-R185 IonicContact OD2-NH2 3.3Å; D152-R185 PolarHBondContact OD2-NH2 2.78Å; R185-T187 VanDerWaalsContact NH1-CG2 3.28Å
186T95.2Very high95.2Very high0 Ų047 Ų470%022%0.224CC..EExtended strand (participates in β ladder)trans-137.1146.2169.7-1780000110.8H105 V106 I148 A149 K188 I190H105-T186 CarbonylContact C-O 3.55Å; H105-T186 VanDerWaalsContact CA-O 3.27Å; H105-T186 WeakPolarHBondContact CA-O 3.24Å; H105-T186 WeakPolarHBondContact CB-O 3.35Å; V106-T186 HydrophobicContact CB-CG2 3.77Å; V106-T186 HydrophobicContact CG1-CG2 4.48Å; V106-T186 HydrophobicContact CG2-CG2 4.49Å; V106-T186 PolarHBondContact N-O 2.8Å; V106-T186 PolarHBondContact O-N 2.84Å; I148-T186 HydrophobicContact CD1-CG2 4.35Å; A149-T186 VanDerWaalsContact O-CB 3.29Å; A149-T186 WeakPolarHBondContact O-CB 3Å; A149-T186 PolarHBondContact O-OG1 3.07Å; T186-K188 PolarHBondContact OG1-N 2.95Å; T186-K188 PolarHBondContact OG1-O 2.83Å; T186-I190 HydrophobicContact CG2-CG1 4.45Å
187T95Very high95.3Very high62 Ų6246.5 Ų46.538%0.3822%0.22SC..  trans-118.5-3.4176.950.80000112.6H105 D151 R185H105-T187 HydrophobicContact CB-CG2 3.75Å; D151-T187 VanDerWaalsContact CG-OG1 3.29Å; D151-T187 PolarHBondContact OD1-OG1 2.92Å; D151-T187 VanDerWaalsContact OD2-CB 3.23Å; D151-T187 WeakPolarHBondContact OD2-CB 3.45Å; D151-T187 WeakPolarHBondContact OD2-CG2 3.44Å; D151-T187 PolarHBondContact OD2-N 3.45Å; D151-T187 PolarHBondContact OD2-OG1 2.89Å; R185-T187 VanDerWaalsContact NH1-CG2 3.28Å
188K90.3Very high95.3Very high126 Ų12646.5 Ų46.555%0.54822%0.218SC..SBendtrans-116150.1-171.6-63.3-178.7-177.2175.30111.2A149 T186 I190A149-K188 HydrophobicContact CB-CB 4.32Å; A149-K188 HydrophobicContact CB-CD 4.42Å; T186-K188 PolarHBondContact OG1-N 2.95Å; T186-K188 PolarHBondContact OG1-O 2.83Å; K188-I190 PolarHBondContact O-N 3.46Å
189E88.6Confident95.2Very high122 Ų12244.6 Ų44.657%0.5721%0.211SC*.SBendtrans55.729170.7-60.5172.1-161.200114.4K129 S191K129-E189 IonicContact NZ-OE1 2.69Å; K129-E189 PolarHBondContact NZ-OE1 2.86Å; E189-S191 PolarHBondContact O-N 2.97Å
190I93.5Very high95.1Very high27 Ų2745 Ų4514%0.13822%0.215CC..  trans-73.9125.6-177.8-59.3163.1000110.4V91 A104 H105 V106 T186 K188 L192 P304V91-I190 HydrophobicContact CG1-CG2 4.28Å; A104-I190 HydrophobicContact CB-CD1 4.13Å; H105-I190 VanDerWaalsContact CA-CD1 3.47Å; V106-I190 HydrophobicContact CG2-CB 4.43Å; V106-I190 HydrophobicContact CG2-CD1 4.01Å; V106-I190 HydrophobicContact CG2-CG1 3.94Å; V106-I190 HydrophobicContact CG2-CG2 3.61Å; T186-I190 HydrophobicContact CG2-CG1 4.45Å; K188-I190 PolarHBondContact O-N 3.46Å; I190-L192 HydrophobicContact CG2-CD2 4.04Å; I190-L192 PolarHBondContact O-N 3.21Å; I190-P304 HydrophobicContact CG2-CB 4.45Å
191S93.6Very high94.8Very high57 Ų5750.1 Ų50.140%0.39923%0.232SC..  trans-77.4106169.4-171.60000110.2E189 P193 P304E189-S191 PolarHBondContact O-N 2.97Å; S191-P193 VanDerWaalsContact O-CD 3.27Å; S191-P193 WeakPolarHBondContact O-CD 3.26Å; S191-P304 WeakPolarHBondContact CB-O 3.27Å; S191-P304 PolarHBondContact N-O 2.69Å
192L96.5Very high94.5Very high38 Ų3854.8 Ų54.820%0.19925%0.254CS..  trans-78.2110.5178.4-62.4178.7000110.5V91 L93 V101 A104 I190 F194V91-L192 HydrophobicContact CG1-CD2 4.13Å; L93-L192 HydrophobicContact CD1-CD1 3.84Å; L93-L192 HydrophobicContact CD1-CD2 3.98Å; L93-L192 HydrophobicContact CD2-CD1 4.3Å; L93-L192 HydrophobicContact CD2-CD2 4.39Å; V101-L192 HydrophobicContact CG2-CD1 3.63Å; A104-L192 HydrophobicContact CB-CD2 4.43Å; I190-L192 HydrophobicContact CG2-CD2 4.04Å; I190-L192 PolarHBondContact O-N 3.21Å; L192-F194 PolarHBondContact O-N 3.43Å
193P97Very high94.2Very high0 Ų058.3 Ų58.30%027%0.272CS..SBendtrans-67.9-25.2-171.926.3-34.3000113.1S191 N217 F218 F298 V300 F302S191-P193 VanDerWaalsContact O-CD 3.27Å; S191-P193 WeakPolarHBondContact O-CD 3.26Å; P193-N217 PolarHBondContact O-N 2.81Å; P193-F218 HydrophobicContact CB-CD1 4.18Å; P193-F218 WeakPolarHBondContact O-CD1 3.14Å; P193-F298 HydrophobicContact CB-CE2 4.34Å; P193-F298 HydrophobicContact CG-CD2 4.32Å; P193-F298 HydrophobicContact CG-CE1 4.19Å; P193-F298 HydrophobicContact CG-CE2 3.41Å; P193-F298 VanDerWaalsContact CG-CE2 3.41Å; P193-F298 HydrophobicContact CG-CZ 3.34Å; P193-V300 HydrophobicContact CB-CG1 4Å; P193-F302 HydrophobicContact CB-CZ 3.91Å
194F97.3Very high93.7Very high1 Ų157.2 Ų57.20%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-136.4143.9-175.9-69.9-74.3000112.6L192 L214 K215 A216 F218 A224 I227 I265 M296 F298 V300 Y339L192-F194 PolarHBondContact O-N 3.43Å; F194-L214 HydrophobicContact CB-CD1 4.07Å; F194-L214 HydrophobicContact CD1-CD1 3.77Å; F194-L214 HydrophobicContact CD1-CG 4.21Å; F194-L214 HydrophobicContact CG-CD1 4.21Å; F194-K215 CarbonylContact C-O 3.55Å; F194-K215 VanDerWaalsContact CA-O 3.27Å; F194-K215 WeakPolarHBondContact CA-O 3.44Å; F194-A216 HydrophobicContact CD1-CB 4.15Å; F194-A216 HydrophobicContact CE1-CB 3.82Å; F194-F218 HydrophobicContact CE1-CE1 4.08Å; F194-F218 HydrophobicContact CE2-CE1 4.4Å; F194-F218 AromaticContact CZ-CE1 3.94Å; F194-F218 HydrophobicContact CZ-CE1 3.94Å; F194-A224 HydrophobicContact CE2-CB 3.95Å; F194-A224 HydrophobicContact CZ-CB 3.44Å; F194-A224 VanDerWaalsContact CZ-CB 3.44Å; F194-I227 HydrophobicContact CZ-CD1 4.39Å; F194-I227 HydrophobicContact CZ-CG1 4.06Å; F194-I265 HydrophobicContact CE1-CG2 3.71Å; F194-I265 HydrophobicContact CZ-CG2 3.84Å; F194-M296 HydrophobicContact CB-CE 3.99Å; F194-M296 HydrophobicContact CB-SD 3.68Å; F194-M296 HydrophobicContact CD1-CE 3.71Å; F194-M296 HydrophobicContact CD1-SD 4.49Å; F194-M296 HydrophobicContact CD2-CE 3.51Å; F194-M296 HydrophobicContact CD2-SD 4.04Å; F194-M296 HydrophobicContact CE1-CE 3.95Å; F194-M296 HydrophobicContact CE2-CE 3.78Å; F194-M296 HydrophobicContact CG-CE 3.45Å; F194-M296 VanDerWaalsContact CG-CE 3.45Å; F194-M296 HydrophobicContact CG-SD 3.84Å; F194-M296 HydrophobicContact CZ-CE 3.96Å; F194-F298 HydrophobicContact CD2-CB 4.22Å; F194-F298 AromaticContact CD2-CD1 3.58Å; F194-F298 HydrophobicContact CD2-CD1 3.58Å; F194-F298 HydrophobicContact CD2-CD2 4.07Å; F194-F298 AromaticContact CD2-CE1 3.89Å; F194-F298 HydrophobicContact CD2-CE1 3.89Å; F194-F298 HydrophobicContact CD2-CE2 4.37Å; F194-F298 AromaticContact CD2-CG 3.68Å; F194-F298 HydrophobicContact CD2-CG 3.68Å; F194-F298 HydrophobicContact CD2-CZ 4.29Å; F194-F298 HydrophobicContact CE2-CB 3.67Å; F194-F298 AromaticContact CE2-CD1 3.94Å; F194-F298 HydrophobicContact CE2-CD1 3.94Å; F194-F298 AromaticContact CE2-CD2 3.88Å; F194-F298 HydrophobicContact CE2-CD2 3.88Å; F194-F298 AromaticContact CE2-CG 3.54Å; F194-F298 HydrophobicContact CE2-CG 3.54Å; F194-V300 HydrophobicContact CE2-CG1 4.18Å; F194-Y339 HydrophobicContact CB-CE1 4.33Å; F194-Y339 PolarHBondContact N-OH 3.3Å; F194-Y339 PolarHBondContact O-OH 2.62Å
195R96.2Very high93.3Very high101 Ų10163.5 Ų63.538%0.38132%0.316SS..EExtended strand (participates in β ladder)trans-122.2122.8167.9-174.1174.5179.8164.7-0.6109.2M95 G99 I197 K215M95-R195 HydrophobicContact CE-CG 4Å; M95-R195 HydrophobicContact SD-CG 4.23Å; G99-R195 PolarHBondContact O-NH2 3.4Å; R195-I197 HydrophobicContact CG-CG1 4.36Å; R195-K215 HydrophobicContact CB-CB 4.34Å; R195-K215 PolarHBondContact N-O 2.93Å; R195-K215 PolarHBondContact O-N 3.24Å
196I96.1Very high93Very high1 Ų162.6 Ų62.61%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-96.1131.2172.8-64.7-179.9000108.1M95 V212 I213 L214 V229 I294 M296M95-I196 WeakPolarHBondContact CE-O 3.28Å; I196-V212 HydrophobicContact CG2-CG1 3.78Å; I196-I213 CarbonylContact C-O 3.58Å; I196-I213 WeakPolarHBondContact CA-O 3.39Å; I196-L214 HydrophobicContact CG1-CD1 3.8Å; I196-V229 HydrophobicContact CD1-CG1 4.01Å; I196-I294 HydrophobicContact CD1-CG2 3.97Å; I196-I294 HydrophobicContact CG2-CD1 4.33Å; I196-I294 HydrophobicContact CG2-CG2 4.18Å; I196-M296 HydrophobicContact CD1-CB 3.83Å; I196-M296 HydrophobicContact CD1-CG 4.24Å; I196-M296 HydrophobicContact CD1-SD 3.96Å; I196-M296 HydrophobicContact CG1-SD 4.33Å
197I95.8Very high92.9Very high48 Ų4865.5 Ų65.525%0.24633%0.333CS..EExtended strand (participates in β ladder)trans-118.198.7174-55171.4000106.8R195 I213 K215R195-I197 HydrophobicContact CG-CG1 4.36Å; I197-I213 HydrophobicContact CB-CB 4.22Å; I197-I213 PolarHBondContact N-O 2.92Å; I197-I213 PolarHBondContact O-N 3.04Å; I197-K215 HydrophobicContact CD1-CD 4.19Å
198P94.9Very high92.9Very high15 Ų1562.6 Ų62.610%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-80.6136.5174.730.7-30.1000111.1I294 T341 R342 C343P198-I294 HydrophobicContact CB-CD1 3.73Å; P198-T341 HydrophobicContact CG-CG2 4.03Å; P198-R342 WeakPolarHBondContact CG-O 3.47Å; P198-C343 HydrophobicContact CB-CB 3.83Å; P198-C343 HydrophobicContact CG-CB 4Å
199L94.4Very high93.1Very high84 Ų8458.2 Ų58.244%0.4430%0.298SS..EExtended strand (participates in β ladder)trans-129.6101.3173.9-71.6150.8000107.2K211 I213L199-K211 HydrophobicContact CB-CB 4.1Å; L199-K211 WeakPolarHBondContact CB-O 3.34Å; L199-K211 HydrophobicContact CD1-CD 4.26Å; L199-K211 HydrophobicContact CD1-CG 4.36Å; L199-K211 PolarHBondContact N-O 2.9Å; L199-K211 PolarHBondContact O-N 3.28Å; L199-I213 HydrophobicContact CD1-CD1 4.16Å
200V92.7Very high93.4Very high28 Ų2852.7 Ų52.717%0.1727%0.272CS..EExtended strand (participates in β ladder)trans-108.9126.1-179.7-177.40000109M208 D209 V210 C343V200-M208 HydrophobicContact CG1-CG 3.95Å; V200-M208 HydrophobicContact CG1-SD 3.62Å; V200-D209 WeakPolarHBondContact CA-O 3.44Å; V200-V210 HydrophobicContact CG1-CG2 4.31Å; V200-V210 HydrophobicContact CG2-CG1 4.46Å; V200-V210 HydrophobicContact CG2-CG2 4.31Å; V200-C343 HydrophobicContact CG2-CB 4.18Å
201R92.3Very high93.6Very high161 Ų16155.1 Ų55.161%0.60828%0.282SS*.EExtended strand (participates in β ladder)trans-127.9121.7177.1-62.9-177.5-62.7178.77.3109.4M208 D209R201-M208 CarbonylContact O-C 3.54Å; R201-M208 WeakPolarHBondContact O-CA 3.41Å; R201-D209 HydrophobicContact CB-CB 4.33Å; R201-D209 PolarHBondContact N-O 2.84Å; R201-D209 IonicContact NH2-OD2 3.66Å; R201-D209 PolarHBondContact NH2-OD2 3.46Å; R201-D209 PolarHBondContact O-N 3.4Å
202E88.9Confident93.7Very high98 Ų9852.4 Ų52.446%0.45826%0.263SS..EExtended strand (participates in β ladder)trans-83.8128.7172.1-71.8167.4-156.800108.9M208 R291E202-M208 HydrophobicContact CG-CG 4.27Å; E202-M208 HydrophobicContact CG-SD 4.36Å; E202-R291 IonicContact OE1-CZ 3.29Å; E202-R291 IonicContact OE1-NE 3.06Å; E202-R291 IonicContact OE1-NH2 2.9Å; E202-R291 PolarHBondContact OE1-NH2 2.83Å
203L90.4Very high93.7Very high76 Ų7652.3 Ų52.340%0.39826%0.262SS..EExtended strand (participates in β ladder)trans-111.184.8-179.5-63.9177.6000108.3K207 D209L203-K207 CarbonylContact C-O 3.57Å; L203-K207 HydrophobicContact CB-CB 4.12Å; L203-K207 HydrophobicContact CB-CG 4.3Å; L203-K207 HydrophobicContact CD1-CD 4.2Å; L203-K207 HydrophobicContact CD1-CG 4.25Å; L203-K207 PolarHBondContact N-O 2.83Å; L203-D209 HydrophobicContact CD1-CB 4.45Å
204G86.8Confident93.7Very high65 Ų6552.3 Ų52.367%0.6726%0.262SS*.THydrogen-bonded Turntrans70.1-148.9-173.200000112.4
205K86.3Confident93.7Very high135 Ų13555.5 Ų55.559%0.58728%0.276SS*.THydrogen-bonded Turntrans-95.9-8.9-178.4-66.6-168.2177.5-170.70114.2D284K205-D284 IonicContact NZ-OD1 2.66Å; K205-D284 PolarHBondContact NZ-OD1 2.66Å
206T91.2Very high93.8Very high69 Ų6950.7 Ų50.742%0.42326%0.258SS..THydrogen-bonded Turntrans-120.5-4.6-166.855.30000114.1L279 Q281T206-L279 WeakPolarHBondContact CA-O 3.31Å; T206-L279 PolarHBondContact O-N 3.21Å; T206-Q281 HydrophobicContact CG2-CG 3.67Å
207K93.7Very high93.8Very high62 Ų6253.9 Ų53.927%0.2728%0.275SS..EExtended strand (participates in β ladder)trans-146.8144.9-173.4-173.4171.8167.1158.80111.1L203 E276 I277L203-K207 CarbonylContact C-O 3.57Å; L203-K207 HydrophobicContact CB-CB 4.12Å; L203-K207 HydrophobicContact CB-CG 4.3Å; L203-K207 HydrophobicContact CD1-CD 4.2Å; L203-K207 HydrophobicContact CD1-CG 4.25Å; L203-K207 PolarHBondContact N-O 2.83Å; K207-E276 HydrophobicContact CD-CG 4.35Å; K207-E276 VanDerWaalsContact CE-CG 3.44Å; K207-E276 WeakPolarHBondContact CE-OE1 3.43Å; K207-E276 VanDerWaalsContact CE-OE2 3.23Å; K207-E276 WeakPolarHBondContact CE-OE2 3.45Å; K207-E276 HydrophobicContact CG-CG 4.34Å; K207-E276 IonicContact NZ-OE1 3.22Å; K207-E276 PolarHBondContact NZ-OE1 3.15Å; K207-E276 IonicContact NZ-OE2 2.63Å; K207-E276 PolarHBondContact NZ-OE2 2.88Å; K207-I277 CarbonylContact C-O 3.5Å; K207-I277 WeakPolarHBondContact CA-O 3.3Å
208M93.8Very high93.9Very high1 Ų152.2 Ų52.21%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-139.7127.8177-174.2175.675.200109.9V200 R201 E202 V210 P234 I277 L279 W289V200-M208 HydrophobicContact CG1-CG 3.95Å; V200-M208 HydrophobicContact CG1-SD 3.62Å; R201-M208 CarbonylContact O-C 3.54Å; R201-M208 WeakPolarHBondContact O-CA 3.41Å; E202-M208 HydrophobicContact CG-CG 4.27Å; E202-M208 HydrophobicContact CG-SD 4.36Å; M208-V210 HydrophobicContact CE-CG2 3.68Å; M208-V210 HydrophobicContact CG-CG2 4.29Å; M208-V210 HydrophobicContact SD-CG2 4.5Å; M208-P234 HydrophobicContact CE-CG 3.86Å; M208-P234 HydrophobicContact SD-CG 4.34Å; M208-I277 HydrophobicContact CB-CB 4.33Å; M208-I277 HydrophobicContact CE-CB 4.45Å; M208-I277 HydrophobicContact CE-CD1 3.5Å; M208-I277 VanDerWaalsContact CE-CD1 3.5Å; M208-I277 PolarHBondContact N-O 2.92Å; M208-I277 PolarHBondContact O-N 3.12Å; M208-L279 HydrophobicContact CB-CD1 4.22Å; M208-W289 HydrophobicContact CE-CH2 4.01Å; M208-W289 HydrophobicContact CE-CZ3 3.68Å; M208-W289 HydrophobicContact SD-CE3 4.31Å; M208-W289 HydrophobicContact SD-CZ3 3.69Å
209D95.6Very high94Very high34 Ų3459.9 Ų59.918%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-93.9130.6171.5-83.20.2000109.6V200 R201 L203V200-D209 WeakPolarHBondContact CA-O 3.44Å; R201-D209 HydrophobicContact CB-CB 4.33Å; R201-D209 PolarHBondContact N-O 2.84Å; R201-D209 IonicContact NH2-OD2 3.66Å; R201-D209 PolarHBondContact NH2-OD2 3.46Å; R201-D209 PolarHBondContact O-N 3.4Å; L203-D209 HydrophobicContact CD1-CB 4.45Å
210V95.5Very high94.1Very high6 Ų659.9 Ų59.94%0.03630%0.298CS..EExtended strand (participates in β ladder)trans-124119.8174.1178.80000109.3V200 M208 V212 I231 S274 A275 I277V200-V210 HydrophobicContact CG1-CG2 4.31Å; V200-V210 HydrophobicContact CG2-CG1 4.46Å; V200-V210 HydrophobicContact CG2-CG2 4.31Å; M208-V210 HydrophobicContact CE-CG2 3.68Å; M208-V210 HydrophobicContact CG-CG2 4.29Å; M208-V210 HydrophobicContact SD-CG2 4.5Å; V210-V212 HydrophobicContact CG1-CG2 3.9Å; V210-I231 HydrophobicContact CG1-CG2 3.92Å; V210-S274 CarbonylContact O-C 3.58Å; V210-S274 WeakPolarHBondContact O-CA 3.3Å; V210-A275 HydrophobicContact CB-CB 4.36Å; V210-A275 PolarHBondContact N-O 2.97Å; V210-A275 PolarHBondContact O-N 3.31Å; V210-I277 HydrophobicContact CB-CD1 4.45Å; V210-I277 HydrophobicContact CG2-CD1 3.72Å
211K96.3Very high94.3Very high77 Ų7764 Ų6434%0.33532%0.319SS..EExtended strand (participates in β ladder)trans-114.8128.9169.9-179175.6-176.4174.30109.2L199 Q272 L273L199-K211 HydrophobicContact CB-CB 4.1Å; L199-K211 WeakPolarHBondContact CB-O 3.34Å; L199-K211 HydrophobicContact CD1-CD 4.26Å; L199-K211 HydrophobicContact CD1-CG 4.36Å; L199-K211 PolarHBondContact N-O 2.9Å; L199-K211 PolarHBondContact O-N 3.28Å; K211-Q272 VanDerWaalsContact NZ-OE1 3.1Å; K211-L273 CarbonylContact C-O 3.5Å; K211-L273 WeakPolarHBondContact CA-O 3.25Å
212V96.7Very high94.5Very high0 Ų058.4 Ų58.40%030%0.301CS..EExtended strand (participates in β ladder)trans-122.4119.3178.6-177.70000108.7I196 V210 I231 Q272 L273 I294I196-V212 HydrophobicContact CG2-CG1 3.78Å; V210-V212 HydrophobicContact CG1-CG2 3.9Å; V212-I231 HydrophobicContact CB-CD1 4.18Å; V212-I231 HydrophobicContact CG2-CD1 3.71Å; V212-I231 HydrophobicContact CG2-CG1 4.11Å; V212-I231 HydrophobicContact CG2-CG2 4.23Å; V212-Q272 VanDerWaalsContact O-CA 3.31Å; V212-Q272 WeakPolarHBondContact O-CA 3.48Å; V212-L273 PolarHBondContact N-O 3.31Å; V212-L273 PolarHBondContact O-N 2.96Å; V212-I294 HydrophobicContact CG1-CD1 4.41Å; V212-I294 HydrophobicContact CG2-CD1 3.81Å
213I96.7Very high95Very high37 Ų3757.8 Ų57.819%0.1930%0.297CS..EExtended strand (participates in β ladder)trans-102.3122.5173-54.2170.2000107.7I196 I197 L199 K215 Q272I196-I213 CarbonylContact C-O 3.58Å; I196-I213 WeakPolarHBondContact CA-O 3.39Å; I197-I213 HydrophobicContact CB-CB 4.22Å; I197-I213 PolarHBondContact N-O 2.92Å; I197-I213 PolarHBondContact O-N 3.04Å; L199-I213 HydrophobicContact CD1-CD1 4.16Å; I213-K215 HydrophobicContact CG2-CG 4.16Å; I213-Q272 HydrophobicContact CG1-CB 4.44Å
214L97.1Very high95.3Very high0 Ų054.2 Ų54.20%028%0.278CS..EExtended strand (participates in β ladder)trans-106.3117.1174.9175.767.1000109.2F194 I196 I227 V229 W260 I262 D270 C271 M296F194-L214 HydrophobicContact CB-CD1 4.07Å; F194-L214 HydrophobicContact CD1-CD1 3.77Å; F194-L214 HydrophobicContact CD1-CG 4.21Å; F194-L214 HydrophobicContact CG-CD1 4.21Å; I196-L214 HydrophobicContact CG1-CD1 3.8Å; L214-I227 HydrophobicContact CD2-CG2 4.06Å; L214-V229 HydrophobicContact CD2-CG2 4.2Å; L214-W260 HydrophobicContact CB-CH2 4.14Å; L214-W260 HydrophobicContact CB-CZ3 3.91Å; L214-I262 HydrophobicContact CD2-CD1 3.82Å; L214-D270 CarbonylContact O-C 3.58Å; L214-D270 WeakPolarHBondContact O-CA 3.24Å; L214-C271 PolarHBondContact N-O 3.45Å; L214-C271 PolarHBondContact O-N 3.14Å; L214-M296 HydrophobicContact CD1-CE 3.61Å; L214-M296 HydrophobicContact CD1-SD 3.73Å; L214-M296 HydrophobicContact CD2-CE 3.87Å; L214-M296 HydrophobicContact CG-CE 4.37Å
215K97.2Very high95.9Very high68 Ų6855.8 Ų55.830%0.29627%0.268SS..EExtended strand (participates in β ladder)trans-106.2130176.7-54.3-160.8168.2-167.60111.1F194 R195 I197 I213 D270F194-K215 CarbonylContact C-O 3.55Å; F194-K215 VanDerWaalsContact CA-O 3.27Å; F194-K215 WeakPolarHBondContact CA-O 3.44Å; R195-K215 HydrophobicContact CB-CB 4.34Å; R195-K215 PolarHBondContact N-O 2.93Å; R195-K215 PolarHBondContact O-N 3.24Å; I197-K215 HydrophobicContact CD1-CD 4.19Å; I213-K215 HydrophobicContact CG2-CG 4.16Å; K215-D270 WeakPolarHBondContact CA-OD1 3.19Å; K215-D270 VanDerWaalsContact CB-OD1 3.32Å; K215-D270 WeakPolarHBondContact CB-OD1 3.46Å; K215-D270 VanDerWaalsContact CE-OD2 3.24Å; K215-D270 WeakPolarHBondContact CE-OD2 3.46Å; K215-D270 WeakPolarHBondContact CG-OD1 3.32Å; K215-D270 IonicContact NZ-OD2 3.7Å
216A97.9Very high96.4Very high0 Ų056 Ų560%027%0.269CS..EExtended strand (participates in β ladder)trans-94.3109.217500000110.5F194 F218 I265 M268 K269F194-A216 HydrophobicContact CD1-CB 4.15Å; F194-A216 HydrophobicContact CE1-CB 3.82Å; A216-F218 HydrophobicContact CB-CD1 4.28Å; A216-F218 HydrophobicContact CB-CE1 3.62Å; A216-F218 HydrophobicContact CB-CZ 4.05Å; A216-F218 PolarHBondContact O-N 3.35Å; A216-I265 HydrophobicContact CB-CD1 4.3Å; A216-I265 HydrophobicContact CB-CG1 4.39Å; A216-I265 HydrophobicContact CB-CG2 4.38Å; A216-M268 VanDerWaalsContact O-CA 3.23Å; A216-M268 WeakPolarHBondContact O-CA 3.39Å; A216-M268 PolarHBondContact O-N 3.09Å; A216-K269 VanDerWaalsContact CB-O 3.32Å; A216-K269 WeakPolarHBondContact CB-O 3.45Å; A216-K269 PolarHBondContact N-O 2.85Å
217N96.4Very high96.7Very high67 Ų6752.8 Ų52.836%0.35825%0.249SC..  trans-10560.2-172.4-64.2-21.9000111.9P193P193-N217 PolarHBondContact O-N 2.81Å
218F97.2Very high96.9Very high14 Ų1451.9 Ų51.96%0.06125%0.246CC..SBendtrans-147.6175.5176.255.9-92.8000110.3P193 F194 A216 L222 A224 G267 M268 F302P193-F218 HydrophobicContact CB-CD1 4.18Å; P193-F218 WeakPolarHBondContact O-CD1 3.14Å; F194-F218 HydrophobicContact CE1-CE1 4.08Å; F194-F218 HydrophobicContact CE2-CE1 4.4Å; F194-F218 AromaticContact CZ-CE1 3.94Å; F194-F218 HydrophobicContact CZ-CE1 3.94Å; A216-F218 HydrophobicContact CB-CD1 4.28Å; A216-F218 HydrophobicContact CB-CE1 3.62Å; A216-F218 HydrophobicContact CB-CZ 4.05Å; A216-F218 PolarHBondContact O-N 3.35Å; F218-L222 HydrophobicContact CD2-CB 3.95Å; F218-L222 HydrophobicContact CE2-CB 4.14Å; F218-L222 WeakPolarHBondContact CE2-O 3.38Å; F218-A224 HydrophobicContact CE1-CB 4.04Å; F218-A224 HydrophobicContact CZ-CB 3.6Å; F218-G267 VanDerWaalsContact CD2-CA 3.45Å; F218-G267 CarbonylContact O-C 3.55Å; F218-G267 WeakPolarHBondContact O-CA 3.49Å; F218-M268 WeakPolarHBondContact O-CG 3.27Å; F218-M268 PolarHBondContact O-N 2.91Å; F218-F302 HydrophobicContact CB-CE1 3.65Å; F218-F302 HydrophobicContact CB-CZ 3.6Å; F218-F302 HydrophobicContact CD1-CE1 4.24Å; F218-F302 HydrophobicContact CD1-CZ 4.32Å; F218-F302 HydrophobicContact CD2-CE1 4.04Å; F218-F302 AromaticContact CG-CE1 3.72Å; F218-F302 HydrophobicContact CG-CE1 3.72Å; F218-F302 HydrophobicContact CG-CZ 4.01Å
219R96.9Very high97.1Very high176 Ų17651.9 Ų51.966%0.66425%0.246SC*.  trans-55.3136.1-173.8-62.6-177.2178.2-179.4-3.7112.2N221 L222 G267R219-N221 VanDerWaalsContact C-N 3.26Å; R219-N221 VanDerWaalsContact CB-OD1 3.28Å; R219-N221 WeakPolarHBondContact CB-OD1 3.33Å; R219-N221 PolarHBondContact O-N 2.93Å; R219-L222 HydrophobicContact CB-CD1 4.14Å; R219-L222 HydrophobicContact CB-CG 4.18Å; R219-L222 PolarHBondContact O-N 3.47Å; R219-L222 VanDerWaalsContact O-N 3.08Å; R219-G267 WeakPolarHBondContact O-CA 3.39Å
220P97.2Very high97.2Very high84 Ų8452.2 Ų52.255%0.54525%0.246SC..THydrogen-bonded Turntrans-67.2-22.5-171.725.7-35000114.6L222 G267 M268P220-L222 VanDerWaalsContact C-N 3.32Å; P220-G267 WeakPolarHBondContact CA-O 3.2Å; P220-M268 HydrophobicContact CB-CB 4.45Å; P220-M268 HydrophobicContact CB-CG 4.42Å
221N96.5Very high97.3Very high114 Ų11452.1 Ų52.161%0.6125%0.245SC*.THydrogen-bonded Turntrans-79.2-13.7176.465.5-27.2000113.6R219R219-N221 VanDerWaalsContact C-N 3.26Å; R219-N221 VanDerWaalsContact CB-OD1 3.28Å; R219-N221 WeakPolarHBondContact CB-OD1 3.33Å; R219-N221 PolarHBondContact O-N 2.93Å
222L97Very high97.3Very high44 Ų4449.5 Ų49.523%0.2324%0.236CC..  trans-89.7154.3176.1-58.7179.5000110.1F218 R219 P220 S266 G267 P301 F302F218-L222 HydrophobicContact CD2-CB 3.95Å; F218-L222 HydrophobicContact CE2-CB 4.14Å; F218-L222 WeakPolarHBondContact CE2-O 3.38Å; R219-L222 HydrophobicContact CB-CD1 4.14Å; R219-L222 HydrophobicContact CB-CG 4.18Å; R219-L222 PolarHBondContact O-N 3.47Å; R219-L222 VanDerWaalsContact O-N 3.08Å; P220-L222 VanDerWaalsContact C-N 3.32Å; L222-S266 WeakPolarHBondContact O-CA 3.25Å; L222-G267 PolarHBondContact O-N 3.41Å; L222-G267 VanDerWaalsContact O-N 3.1Å; L222-P301 HydrophobicContact CB-CG 4.2Å; L222-P301 HydrophobicContact CD2-CG 4.24Å; L222-F302 HydrophobicContact CD1-CB 4.41Å; L222-F302 HydrophobicContact CD1-CD1 3.78Å; L222-F302 HydrophobicContact CD1-CE1 4.43Å; L222-F302 HydrophobicContact CD1-CG 4.41Å
223F97.9Very high97.3Very high85 Ų8549.7 Ų49.737%0.37324%0.237SC..EExtended strand (participates in β ladder)trans-127.6120.3179.4-64.9-88.8000110.6R264 I265 P301F223-R264 HydrophobicContact CB-CG 3.79Å; F223-R264 HydrophobicContact CD1-CG 3.88Å; F223-R264 HydrophobicContact CG-CG 4.21Å; F223-I265 CarbonylContact C-O 3.5Å; F223-I265 WeakPolarHBondContact CA-O 3.38Å; F223-P301 WeakPolarHBondContact O-CD 3.36Å
224A98.2Very high97.1Very high0 Ų048.1 Ų48.10%023%0.229CC..EExtended strand (participates in β ladder)trans-79149.1167.100000110.3F194 F218 I227 R264 I265 E299 V300F194-A224 HydrophobicContact CE2-CB 3.95Å; F194-A224 HydrophobicContact CZ-CB 3.44Å; F194-A224 VanDerWaalsContact CZ-CB 3.44Å; F218-A224 HydrophobicContact CE1-CB 4.04Å; F218-A224 HydrophobicContact CZ-CB 3.6Å; A224-I227 HydrophobicContact CB-CD1 4.09Å; A224-I227 HydrophobicContact CB-CG1 4.46Å; A224-R264 VanDerWaalsContact O-CA 3.24Å; A224-R264 WeakPolarHBondContact O-CA 3.44Å; A224-R264 WeakPolarHBondContact O-CG 3.29Å; A224-I265 HydrophobicContact CB-CG2 3.98Å; A224-I265 PolarHBondContact N-O 3.12Å; A224-I265 PolarHBondContact O-N 3.27Å; A224-E299 CarbonylContact C-O 3.54Å; A224-E299 VanDerWaalsContact CA-O 3.26Å; A224-E299 WeakPolarHBondContact CA-O 3.38Å; A224-V300 HydrophobicContact CB-CG1 3.74Å
225Q97.8Very high96.7Very high99 Ų9955.2 Ų55.246%0.46327%0.265SS..EExtended strand (participates in β ladder)trans-134.7169.3-175.8-60.9-17659.400111.1I227 R263 R264 E299Q225-I227 PolarHBondContact O-N 3.16Å; Q225-R263 WeakPolarHBondContact CA-O 3.22Å; Q225-R264 HydrophobicContact CG-CG 4.31Å; Q225-E299 PolarHBondContact N-O 3Å; Q225-E299 PolarHBondContact O-N 3.02Å
226K97Very high96.4Very high138 Ų13853.6 Ų53.660%0.626%0.259SS*.EExtended strand (participates in β ladder)trans5142.8177-57.3176.9-170.7157.80112.2R263 E299K226-R263 PolarHBondContact N-O 3.04Å; K226-E299 IonicContact NZ-OE2 3.59Å; K226-E299 PolarHBondContact NZ-OE2 3.15Å
227I98.3Very high96.3Very high2 Ų254.5 Ų54.51%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-81.2127.2-178.1-61.2125.3000108.8F194 L214 A224 Q225 V229 K261 I262 I265 M296 N297 F298F194-I227 HydrophobicContact CZ-CD1 4.39Å; F194-I227 HydrophobicContact CZ-CG1 4.06Å; L214-I227 HydrophobicContact CD2-CG2 4.06Å; A224-I227 HydrophobicContact CB-CD1 4.09Å; A224-I227 HydrophobicContact CB-CG1 4.46Å; Q225-I227 PolarHBondContact O-N 3.16Å; I227-V229 HydrophobicContact CG2-CG2 4.41Å; I227-K261 CarbonylContact O-C 3.51Å; I227-K261 WeakPolarHBondContact O-CA 3.31Å; I227-I262 HydrophobicContact CB-CB 4.01Å; I227-I262 WeakPolarHBondContact CB-O 3.07Å; I227-I262 HydrophobicContact CD1-CB 4.39Å; I227-I262 HydrophobicContact CD1-CG2 4.22Å; I227-I262 HydrophobicContact CG2-CB 4.2Å; I227-I262 HydrophobicContact CG2-CD1 4.27Å; I227-I262 PolarHBondContact N-O 3.01Å; I227-I262 VanDerWaalsContact N-O 3.08Å; I227-I262 PolarHBondContact O-N 3.01Å; I227-I265 HydrophobicContact CD1-CB 4.17Å; I227-I265 HydrophobicContact CD1-CG2 3.5Å; I227-I265 VanDerWaalsContact CD1-CG2 3.5Å; I227-I265 HydrophobicContact CG1-CG2 4.5Å; I227-M296 HydrophobicContact CG1-CE 4.5Å; I227-M296 HydrophobicContact CG2-CE 3.43Å; I227-M296 VanDerWaalsContact CG2-CE 3.43Å; I227-N297 CarbonylContact C-O 3.56Å; I227-N297 VanDerWaalsContact CA-O 3.27Å; I227-N297 WeakPolarHBondContact CA-O 3.4Å; I227-F298 HydrophobicContact CG1-CB 4.11Å
228E98.1Very high96.1Very high44 Ų4454.4 Ų54.421%0.20627%0.269CS..EExtended strand (participates in β ladder)trans-140112.6177.9178.2162.5-174.700109.1I259 W260 K261 M296 N297E228-I259 HydrophobicContact CG-CG2 3.87Å; E228-I259 WeakPolarHBondContact OE1-CG2 3.36Å; E228-W260 WeakPolarHBondContact CA-O 3.23Å; E228-K261 HydrophobicContact CG-CG 4.18Å; E228-K261 VanDerWaalsContact OE1-CE 3.29Å; E228-K261 WeakPolarHBondContact OE1-CE 3.44Å; E228-K261 IonicContact OE1-NZ 2.74Å; E228-K261 PolarHBondContact OE1-NZ 2.93Å; E228-K261 IonicContact OE2-NZ 3.69Å; E228-K261 PolarHBondContact OE2-NZ 2.8Å; E228-M296 CarbonylContact O-C 3.54Å; E228-M296 WeakPolarHBondContact O-CA 3.43Å; E228-N297 HydrophobicContact CB-CB 4.29Å; E228-N297 PolarHBondContact N-O 2.93Å; E228-N297 PolarHBondContact O-N 2.83Å
229V98.2Very high96Very high0 Ų054.6 Ų54.60%028%0.276CS..EExtended strand (participates in β ladder)trans-99.6125.6176.7-170.90000108.3I196 L214 I227 I231 W260 I294 M296I196-V229 HydrophobicContact CD1-CG1 4.01Å; L214-V229 HydrophobicContact CD2-CG2 4.2Å; I227-V229 HydrophobicContact CG2-CG2 4.41Å; V229-I231 HydrophobicContact CG1-CD1 4.46Å; V229-I231 HydrophobicContact CG1-CG1 3.94Å; V229-W260 HydrophobicContact CB-CB 4.25Å; V229-W260 HydrophobicContact CB-CE3 4.18Å; V229-W260 HydrophobicContact CG2-CE3 4.01Å; V229-W260 PolarHBondContact N-O 3.35Å; V229-W260 PolarHBondContact O-N 2.75Å; V229-I294 HydrophobicContact CG1-CG2 3.53Å; V229-M296 HydrophobicContact CG2-CG 4.19Å
230H97.9Very high96Very high42 Ų4247.8 Ų47.819%0.19425%0.253CS..EExtended strand (participates in β ladder)trans-101.3112.1177-117-106.6000108.7P232 E255 I259 I294 S295H230-P232 WeakPolarHBondContact O-CD 3.01Å; H230-E255 IonicContact CE1-OE2 2.77Å; H230-E255 PolarHBondContact CE1-OE2 2.76Å; H230-E255 IonicContact NE2-OE2 3.05Å; H230-E255 PolarHBondContact NE2-OE2 3.45Å; H230-I259 VanDerWaalsContact CD2-CD1 3.5Å; H230-I259 WeakPolarHBondContact CD2-CD1 3.47Å; H230-I259 WeakPolarHBondContact CE1-CD1 3.22Å; H230-I259 WeakPolarHBondContact NE2-CD1 3.21Å; H230-I294 WeakPolarHBondContact O-CA 3.34Å; H230-I294 VanDerWaalsContact O-CG2 3.29Å; H230-I294 WeakPolarHBondContact O-CG2 3.27Å; H230-S295 WeakPolarHBondContact CB-OG 3.32Å; H230-S295 PolarHBondContact N-O 2.86Å; H230-S295 PolarHBondContact O-N 3.27Å; H230-S295 VanDerWaalsContact O-N 3.1Å
231I97.4Very high96Very high3 Ų349.4 Ų49.42%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-111.5105.3-176.6-54162.6000107.7V210 V212 V229 A257 I258 L273 I294V210-I231 HydrophobicContact CG1-CG2 3.92Å; V212-I231 HydrophobicContact CB-CD1 4.18Å; V212-I231 HydrophobicContact CG2-CD1 3.71Å; V212-I231 HydrophobicContact CG2-CG1 4.11Å; V212-I231 HydrophobicContact CG2-CG2 4.23Å; V229-I231 HydrophobicContact CG1-CD1 4.46Å; V229-I231 HydrophobicContact CG1-CG1 3.94Å; I231-A257 CarbonylContact O-C 3.52Å; I231-A257 VanDerWaalsContact O-CA 3.3Å; I231-A257 WeakPolarHBondContact O-CA 3.5Å; I231-I258 HydrophobicContact CB-CB 4.2Å; I231-I258 HydrophobicContact CD1-CG2 4.44Å; I231-I258 PolarHBondContact N-O 3.47Å; I231-I258 PolarHBondContact O-N 3.2Å; I231-L273 HydrophobicContact CD1-CD1 4.18Å; I231-L273 HydrophobicContact CD1-CD2 3.87Å; I231-I294 HydrophobicContact CG1-CD1 4.38Å; I231-I294 HydrophobicContact CG1-CG2 4.23Å; I231-I294 HydrophobicContact CG2-CD1 4.14Å; I231-I294 HydrophobicContact CG2-CG1 4.43Å
232P96.7Very high96.1Very high22 Ų2246.3 Ų46.314%0.14324%0.239CC..EExtended strand (participates in β ladder)trans-62.6144.9-178.6-25.737.3000112.6H230 W289 P292 P293H230-P232 WeakPolarHBondContact O-CD 3.01Å; P232-W289 HydrophobicContact CB-CZ2 4.31Å; P232-P292 HydrophobicContact CB-CB 4Å; P232-P292 HydrophobicContact CB-CG 4.01Å; P232-P292 HydrophobicContact CG-CB 3.89Å; P232-P292 HydrophobicContact CG-CG 4.45Å; P232-P292 WeakPolarHBondContact CG-O 3.28Å; P232-P293 WeakPolarHBondContact CG-O 3.31Å
233T95.2Very high96.1Very high4 Ų449.1 Ų49.13%0.02526%0.257CS..  trans-118.1158.3171.970.70000109.9Y251 N256 I258 I277T233-Y251 HydrophobicContact CG2-CD2 4.32Å; T233-Y251 HydrophobicContact CG2-CE2 4.18Å; T233-Y251 WeakPolarHBondContact OG1-CE2 3.42Å; T233-N256 PolarHBondContact N-O 2.93Å; T233-N256 VanDerWaalsContact OG1-C 3.23Å; T233-N256 PolarHBondContact OG1-O 2.95Å; T233-I258 HydrophobicContact CG2-CD1 4.1Å; T233-I258 HydrophobicContact CG2-CG1 3.91Å; T233-I277 HydrophobicContact CG2-CD1 3.76Å
234P92.8Very high95.9Very high4 Ų446.7 Ų46.73%0.02625%0.251CS..  trans-59.4154.4173.1-26.236.6000112.9M208 N236 T237 L279 W289M208-P234 HydrophobicContact CE-CG 3.86Å; M208-P234 HydrophobicContact SD-CG 4.34Å; P234-N236 WeakPolarHBondContact CB-OD1 3.46Å; P234-N236 PolarHBondContact O-N 2.67Å; P234-T237 WeakPolarHBondContact O-CB 3.38Å; P234-T237 PolarHBondContact O-N 3.2Å; P234-T237 PolarHBondContact O-OG1 2.9Å; P234-L279 HydrophobicContact CB-CD2 3.86Å; P234-L279 HydrophobicContact CG-CD2 3.7Å; P234-W289 HydrophobicContact CB-CD2 4.18Å; P234-W289 HydrophobicContact CB-CG 4.4Å; P234-W289 HydrophobicContact CG-CD2 3.77Å; P234-W289 HydrophobicContact CG-CE3 3.64Å; P234-W289 HydrophobicContact CG-CG 4.43Å; P234-W289 HydrophobicContact CG-CH2 4.02Å; P234-W289 HydrophobicContact CG-CZ2 4.12Å; P234-W289 HydrophobicContact CG-CZ3 3.77Å
235M89.7Confident95.5Very high150 Ų15054.6 Ų54.674%0.73929%0.289SS*.THydrogen-bonded Turntrans-66.6-23.1177-65.5-67.3-64.500112.9T237 N256M235-T237 VanDerWaalsContact C-N 3.31Å; M235-N256 HydrophobicContact SD-CB 4.37Å; M235-N256 PolarHBondContact SD-ND2 2.79Å
236N91.1Very high95.3Very high34 Ų3453.3 Ų53.318%0.18228%0.282CS..THydrogen-bonded Turntrans-93.319.5179.165.4-35000112.8P234 S238 L279 L280P234-N236 WeakPolarHBondContact CB-OD1 3.46Å; P234-N236 PolarHBondContact O-N 2.67Å; N236-S238 PolarHBondContact O-N 2.84Å; N236-L279 WeakPolarHBondContact O-CA 3.37Å; N236-L280 HydrophobicContact CB-CB 4.41Å; N236-L280 PolarHBondContact ND2-O 2.99Å; N236-L280 PolarHBondContact O-N 3.31Å
237T94.2Very high95.2Very high18 Ų1848.6 Ų48.611%0.1127%0.273CS..EExtended strand (participates in β ladder)trans-64.5121.6175.2-69.50000111P234 M235 V240 Y251 I277 E278P234-T237 WeakPolarHBondContact O-CB 3.38Å; P234-T237 PolarHBondContact O-N 3.2Å; P234-T237 PolarHBondContact O-OG1 2.9Å; M235-T237 VanDerWaalsContact C-N 3.31Å; T237-V240 HydrophobicContact CG2-CG2 3.42Å; T237-V240 VanDerWaalsContact CG2-CG2 3.42Å; T237-Y251 HydrophobicContact CG2-CE1 4.23Å; T237-Y251 HydrophobicContact CG2-CE2 4.21Å; T237-I277 HydrophobicContact CG2-CG2 3.81Å; T237-I277 WeakPolarHBondContact OG1-CG2 3.41Å; T237-E278 WeakPolarHBondContact CA-O 3.32Å
238S93.6Very high95.2Very high65 Ų6558.1 Ų58.146%0.45531%0.309SS..EExtended strand (participates in β ladder)trans-94.9-34.5173.749.80000112.9N236 E278N236-S238 PolarHBondContact O-N 2.84Å; S238-E278 PolarHBondContact N-O 2.86Å; S238-E278 VanDerWaalsContact OG-CB 3.29Å; S238-E278 WeakPolarHBondContact OG-CB 3.3Å; S238-E278 PolarHBondContact OG-O 2.65Å
239G94.8Very high95.2Very high19 Ų1956.9 Ų56.920%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-151.6147.4-172.300000111.2I277 E278G239-I277 WeakPolarHBondContact O-CA 3.43Å; G239-E278 PolarHBondContact O-N 3.19Å
240V97.5Very high95.1Very high32 Ų3264 Ų6419%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-139.1121.5177.6-1760000109.8T237 V242 Y251 I258 E276 I277T237-V240 HydrophobicContact CG2-CG2 3.42Å; T237-V240 VanDerWaalsContact CG2-CG2 3.42Å; V240-V242 HydrophobicContact CG1-CG1 3.89Å; V240-Y251 HydrophobicContact CB-CD1 4.26Å; V240-Y251 HydrophobicContact CB-CD2 4.44Å; V240-Y251 HydrophobicContact CB-CG 3.94Å; V240-Y251 HydrophobicContact CG2-CD1 3.82Å; V240-Y251 HydrophobicContact CG2-CD2 3.7Å; V240-Y251 HydrophobicContact CG2-CE1 4.16Å; V240-Y251 HydrophobicContact CG2-CE2 4.06Å; V240-Y251 HydrophobicContact CG2-CG 3.58Å; V240-I258 HydrophobicContact CG1-CD1 3.7Å; V240-I258 HydrophobicContact CG1-CG1 3.89Å; V240-E276 CarbonylContact C-O 3.59Å; V240-E276 WeakPolarHBondContact CA-O 3.45Å; V240-I277 HydrophobicContact CG1-CG1 4.24Å; V240-I277 HydrophobicContact CG2-CG1 4.27Å; V240-I277 HydrophobicContact CG2-CG2 4.49Å
241Q97.2Very high95.1Very high119 Ų11965.3 Ų65.356%0.55634%0.34SS*.EExtended strand (participates in β ladder)trans-105.3126.7168.3-56.6-173.71.400108.9A275 E276Q241-A275 CarbonylContact O-C 3.53Å; Q241-A275 WeakPolarHBondContact O-CA 3.32Å; Q241-E276 HydrophobicContact CB-CB 4.31Å; Q241-E276 PolarHBondContact N-O 3.39Å; Q241-E276 PolarHBondContact O-N 3.36Å
242V97.3Very high95.1Very high49 Ų4968.7 Ų68.730%0.29736%0.355SS..EExtended strand (participates in β ladder)trans-122.9134.7-177.1-80.30000111.4V240 A249 I258 A275V240-V242 HydrophobicContact CG1-CG1 3.89Å; V242-A249 HydrophobicContact CB-CB 4.09Å; V242-A249 HydrophobicContact CG1-CB 4.43Å; V242-A249 HydrophobicContact CG2-CB 4.11Å; V242-I258 HydrophobicContact CG1-CD1 3.94Å; V242-I258 HydrophobicContact CG1-CG1 4.24Å; V242-I258 HydrophobicContact CG1-CG2 3.78Å; V242-A275 HydrophobicContact CG1-CB 3.82Å
243V96.8Very high94.9Very high102 Ų10270.6 Ų70.662%0.61837%0.373SS*.EExtended strand (participates in β ladder)trans-125.7122.6174.1-177.60000108.6L273 S274V243-L273 WeakPolarHBondContact O-CA 3.22Å; V243-S274 PolarHBondContact N-O 3.3Å; V243-S274 PolarHBondContact O-N 2.89Å
244C95.2Very high94.9Very high35 Ų3575.3 Ų75.324%0.23641%0.412CS..EExtended strand (participates in β ladder)trans-138.1136.1173.666.20000110.9W260 L273C244-W260 HydrophobicContact CB-CZ2 4.5Å; C244-L273 HydrophobicContact CB-CB 4.28Å; C244-L273 HydrophobicContact CB-CD1 4.28Å; C244-L273 HydrophobicContact CB-CG 4.31Å
245M88Confident95Very high165 Ų16579.3 Ų79.381%0.81343%0.431SS*.SBendtrans-79.6-21.4178.8-68-63.9-71.100113
246K94.1Very high95.2Very high72 Ų7274 Ų7431%0.31341%0.405SS..SBendtrans-136.1135.5-175.7-171.5167.5-173.9163.20110.3W260 I262 R264 C271K246-W260 PolarHBondContact O-NE1 3.32Å; K246-I262 HydrophobicContact CD-CG2 4.34Å; K246-I262 HydrophobicContact CG-CG2 4.1Å; K246-R264 WeakPolarHBondContact CE-O 3.25Å; K246-R264 PolarHBondContact NZ-O 3.02Å; K246-C271 HydrophobicContact CB-CB 4.08Å; K246-C271 HydrophobicContact CD-CB 4.31Å
247G96Very high95.5Very high39 Ų3972.5 Ų72.540%0.40240%0.397SS..SBendtrans78.5-158.9-17700000112.3K261G247-K261 CarbonylContact C-O 3.53Å; G247-K261 WeakPolarHBondContact CA-O 3.45Å
248R97.4Very high95.6Very high203 Ų20371.6 Ų71.677%0.76639%0.392SS*.EExtended strand (participates in β ladder)trans-134.4134177.4-62.2-176.3-175.9-160.60108.8K261R248-K261 PolarHBondContact N-O 2.93Å; R248-K261 PolarHBondContact O-N 2.8Å
249A97.9Very high95.8Very high17 Ų1768.8 Ų68.814%0.1437%0.371CS..EExtended strand (participates in β ladder)trans-112.4139.5175.300000110.1V242 I258 I259 W260 L273V242-A249 HydrophobicContact CB-CB 4.09Å; V242-A249 HydrophobicContact CG1-CB 4.43Å; V242-A249 HydrophobicContact CG2-CB 4.11Å; A249-I258 HydrophobicContact CB-CG2 4.34Å; A249-I259 WeakPolarHBondContact CA-O 3.27Å; A249-W260 HydrophobicContact CB-CB 4.47Å; A249-L273 HydrophobicContact CB-CD1 3.47Å; A249-L273 VanDerWaalsContact CB-CD1 3.47Å
250K97Very high96Very high151 Ų15167.9 Ų67.966%0.65736%0.362SS*.EExtended strand (participates in β ladder)trans-141.8138.4173.3-68.2-170.9176.4-170.70109.9I259K250-I259 PolarHBondContact N-O 3.3Å; K250-I259 PolarHBondContact O-N 3.08Å
251Y97.5Very high96.1Very high68 Ų6871 Ų7127%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-76137.8166.5174.9-122.3000110.3T233 T237 V240 A253 A257 I258T233-Y251 HydrophobicContact CG2-CD2 4.32Å; T233-Y251 HydrophobicContact CG2-CE2 4.18Å; T233-Y251 WeakPolarHBondContact OG1-CE2 3.42Å; T237-Y251 HydrophobicContact CG2-CE1 4.23Å; T237-Y251 HydrophobicContact CG2-CE2 4.21Å; V240-Y251 HydrophobicContact CB-CD1 4.26Å; V240-Y251 HydrophobicContact CB-CD2 4.44Å; V240-Y251 HydrophobicContact CB-CG 3.94Å; V240-Y251 HydrophobicContact CG2-CD1 3.82Å; V240-Y251 HydrophobicContact CG2-CD2 3.7Å; V240-Y251 HydrophobicContact CG2-CE1 4.16Å; V240-Y251 HydrophobicContact CG2-CE2 4.06Å; V240-Y251 HydrophobicContact CG2-CG 3.58Å; Y251-A253 HydrophobicContact CE1-CB 3.89Å; Y251-A257 WeakPolarHBondContact CD2-O 3.33Å; Y251-I258 HydrophobicContact CD2-CG1 4.39Å
252K96.5Very high96.1Very high75 Ų7565.5 Ų65.533%0.32635%0.347SS..EExtended strand (participates in β ladder)trans-122.7105.8172.4-72.8-171.9-175.6172.10109.6A254 E255 N256 A257 I259K252-A254 PolarHBondContact O-N 2.83Å; K252-E255 HydrophobicContact CB-CB 4.28Å; K252-E255 VanDerWaalsContact CD-CD 3.46Å; K252-E255 HydrophobicContact CD-CG 4.41Å; K252-E255 VanDerWaalsContact CD-OE1 3.23Å; K252-E255 WeakPolarHBondContact CD-OE1 3.39Å; K252-E255 WeakPolarHBondContact CD-OE2 3.39Å; K252-E255 IonicContact NZ-OE1 3.74Å; K252-E255 PolarHBondContact NZ-OE1 2.88Å; K252-E255 IonicContact NZ-OE2 2.73Å; K252-E255 PolarHBondContact NZ-OE2 2.81Å; K252-E255 PolarHBondContact O-N 2.92Å; K252-N256 PolarHBondContact O-N 2.92Å; K252-N256 VanDerWaalsContact O-N 3.1Å; K252-A257 PolarHBondContact N-O 2.7Å; K252-A257 PolarHBondContact O-N 3Å; K252-I259 HydrophobicContact CB-CG1 4.35Å; K252-I259 HydrophobicContact CD-CD1 4.35Å; K252-I259 HydrophobicContact CD-CG1 3.57Å; K252-I259 HydrophobicContact CG-CG1 3.82Å
253A93.6Very high96.1Very high62 Ų6274 Ų7451%0.51237%0.374SS..G310 helixtrans-60.1-40.9-178.200000113.3Y251 E255 N256Y251-A253 HydrophobicContact CE1-CB 3.89Å; A253-E255 PolarHBondContact O-N 2.64Å; A253-E255 VanDerWaalsContact O-N 3.15Å; A253-N256 PolarHBondContact O-N 3.41Å; A253-N256 VanDerWaalsContact O-N 3.08Å; A253-N256 PolarHBondContact O-OD1 3.5Å
254A94.5Very high96.1Very high103 Ų10375.9 Ų75.985%0.85137%0.37SS*.G310 helixtrans-61.2-25.5179.300000113.8K252K252-A254 PolarHBondContact O-N 2.83Å
255E94.4Very high96.2Very high88 Ų8874.3 Ų74.341%0.41136%0.359SS..G310 helixtrans-104.1-3.5-180-66.1169.9-147.800112H230 K252 A253 A257H230-E255 IonicContact CE1-OE2 2.77Å; H230-E255 PolarHBondContact CE1-OE2 2.76Å; H230-E255 IonicContact NE2-OE2 3.05Å; H230-E255 PolarHBondContact NE2-OE2 3.45Å; K252-E255 HydrophobicContact CB-CB 4.28Å; K252-E255 VanDerWaalsContact CD-CD 3.46Å; K252-E255 HydrophobicContact CD-CG 4.41Å; K252-E255 VanDerWaalsContact CD-OE1 3.23Å; K252-E255 WeakPolarHBondContact CD-OE1 3.39Å; K252-E255 WeakPolarHBondContact CD-OE2 3.39Å; K252-E255 IonicContact NZ-OE1 3.74Å; K252-E255 PolarHBondContact NZ-OE1 2.88Å; K252-E255 IonicContact NZ-OE2 2.73Å; K252-E255 PolarHBondContact NZ-OE2 2.81Å; K252-E255 PolarHBondContact O-N 2.92Å; A253-E255 PolarHBondContact O-N 2.64Å; A253-E255 VanDerWaalsContact O-N 3.15Å; E255-A257 HydrophobicContact CB-CB 4.34Å; E255-A257 PolarHBondContact O-N 3.43Å
256N94.3Very high96.6Very high38 Ų3867.4 Ų67.420%0.20333%0.327CS..THydrogen-bonded Turntrans43.150.7-169.8-65.2-68.4000112T233 M235 K252 A253T233-N256 PolarHBondContact N-O 2.93Å; T233-N256 VanDerWaalsContact OG1-C 3.23Å; T233-N256 PolarHBondContact OG1-O 2.95Å; M235-N256 HydrophobicContact SD-CB 4.37Å; M235-N256 PolarHBondContact SD-ND2 2.79Å; K252-N256 PolarHBondContact O-N 2.92Å; K252-N256 VanDerWaalsContact O-N 3.1Å; A253-N256 PolarHBondContact O-N 3.41Å; A253-N256 VanDerWaalsContact O-N 3.08Å; A253-N256 PolarHBondContact O-OD1 3.5Å
257A96.9Very high96.8Very high2 Ų264 Ų642%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-149.8148.5-17400000112.9I231 Y251 K252 E255 I259I231-A257 CarbonylContact O-C 3.52Å; I231-A257 VanDerWaalsContact O-CA 3.3Å; I231-A257 WeakPolarHBondContact O-CA 3.5Å; Y251-A257 WeakPolarHBondContact CD2-O 3.33Å; K252-A257 PolarHBondContact N-O 2.7Å; K252-A257 PolarHBondContact O-N 3Å; E255-A257 HydrophobicContact CB-CB 4.34Å; E255-A257 PolarHBondContact O-N 3.43Å; A257-I259 HydrophobicContact CB-CD1 3.76Å
258I98.1Very high96.9Very high0 Ų068.1 Ų68.10%032%0.323CS..EExtended strand (participates in β ladder)trans-89.1123.6164.8-61.2162.9000108I231 T233 V240 V242 A249 Y251 L273 A275 I277I231-I258 HydrophobicContact CB-CB 4.2Å; I231-I258 HydrophobicContact CD1-CG2 4.44Å; I231-I258 PolarHBondContact N-O 3.47Å; I231-I258 PolarHBondContact O-N 3.2Å; T233-I258 HydrophobicContact CG2-CD1 4.1Å; T233-I258 HydrophobicContact CG2-CG1 3.91Å; V240-I258 HydrophobicContact CG1-CD1 3.7Å; V240-I258 HydrophobicContact CG1-CG1 3.89Å; V242-I258 HydrophobicContact CG1-CD1 3.94Å; V242-I258 HydrophobicContact CG1-CG1 4.24Å; V242-I258 HydrophobicContact CG1-CG2 3.78Å; A249-I258 HydrophobicContact CB-CG2 4.34Å; Y251-I258 HydrophobicContact CD2-CG1 4.39Å; I258-L273 HydrophobicContact CG2-CD1 4.25Å; I258-A275 HydrophobicContact CD1-CB 3.49Å; I258-A275 VanDerWaalsContact CD1-CB 3.49Å; I258-I277 HydrophobicContact CD1-CD1 4.17Å; I258-I277 HydrophobicContact CD1-CG1 4.41Å
259I98Very high96.9Very high5 Ų564 Ų643%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-103.5111.7-179.8-45.8-42000108.7E228 H230 A249 K250 K252 A257 K261E228-I259 HydrophobicContact CG-CG2 3.87Å; E228-I259 WeakPolarHBondContact OE1-CG2 3.36Å; H230-I259 VanDerWaalsContact CD2-CD1 3.5Å; H230-I259 WeakPolarHBondContact CD2-CD1 3.47Å; H230-I259 WeakPolarHBondContact CE1-CD1 3.22Å; H230-I259 WeakPolarHBondContact NE2-CD1 3.21Å; A249-I259 WeakPolarHBondContact CA-O 3.27Å; K250-I259 PolarHBondContact N-O 3.3Å; K250-I259 PolarHBondContact O-N 3.08Å; K252-I259 HydrophobicContact CB-CG1 4.35Å; K252-I259 HydrophobicContact CD-CD1 4.35Å; K252-I259 HydrophobicContact CD-CG1 3.57Å; K252-I259 HydrophobicContact CG-CG1 3.82Å; A257-I259 HydrophobicContact CB-CD1 3.76Å; I259-K261 HydrophobicContact CG2-CG 4.07Å
260W98.4Very high96.7Very high0 Ų067.6 Ų67.60%033%0.328CS..EExtended strand (participates in β ladder)trans-106.8106-179.7-176.527.6000111L214 E228 V229 C244 K246 A249 I262 C271 L273L214-W260 HydrophobicContact CB-CH2 4.14Å; L214-W260 HydrophobicContact CB-CZ3 3.91Å; E228-W260 WeakPolarHBondContact CA-O 3.23Å; V229-W260 HydrophobicContact CB-CB 4.25Å; V229-W260 HydrophobicContact CB-CE3 4.18Å; V229-W260 HydrophobicContact CG2-CE3 4.01Å; V229-W260 PolarHBondContact N-O 3.35Å; V229-W260 PolarHBondContact O-N 2.75Å; C244-W260 HydrophobicContact CB-CZ2 4.5Å; K246-W260 PolarHBondContact O-NE1 3.32Å; A249-W260 HydrophobicContact CB-CB 4.47Å; W260-I262 HydrophobicContact CD2-CD1 4.24Å; W260-I262 HydrophobicContact CH2-CD1 4.15Å; W260-I262 HydrophobicContact CZ2-CD1 3.7Å; W260-I262 HydrophobicContact CZ2-CG1 4.34Å; W260-C271 HydrophobicContact CH2-CB 4.12Å; W260-C271 VanDerWaalsContact CH2-SG 3.54Å; W260-C271 HydrophobicContact CZ2-CB 4.18Å; W260-L273 HydrophobicContact CB-CD1 3.68Å; W260-L273 HydrophobicContact CD2-CB 3.94Å; W260-L273 HydrophobicContact CD2-CD1 3.7Å; W260-L273 HydrophobicContact CE3-CB 3.83Å; W260-L273 HydrophobicContact CE3-CD1 4.13Å; W260-L273 HydrophobicContact CG-CD1 3.5Å; W260-L273 HydrophobicContact CH2-CB 4.08Å; W260-L273 HydrophobicContact CZ2-CB 4.17Å; W260-L273 HydrophobicContact CZ3-CB 3.9Å
261K98.4Very high96.7Very high98 Ų9861 Ų6143%0.42630%0.301SS..EExtended strand (participates in β ladder)trans-101.6124.1-177.4-58.9-168.2-173.5-119.10111.2I227 E228 G247 R248 I259I227-K261 CarbonylContact O-C 3.51Å; I227-K261 WeakPolarHBondContact O-CA 3.31Å; E228-K261 HydrophobicContact CG-CG 4.18Å; E228-K261 VanDerWaalsContact OE1-CE 3.29Å; E228-K261 WeakPolarHBondContact OE1-CE 3.44Å; E228-K261 IonicContact OE1-NZ 2.74Å; E228-K261 PolarHBondContact OE1-NZ 2.93Å; E228-K261 IonicContact OE2-NZ 3.69Å; E228-K261 PolarHBondContact OE2-NZ 2.8Å; G247-K261 CarbonylContact C-O 3.53Å; G247-K261 WeakPolarHBondContact CA-O 3.45Å; R248-K261 PolarHBondContact N-O 2.93Å; R248-K261 PolarHBondContact O-N 2.8Å; I259-K261 HydrophobicContact CG2-CG 4.07Å
262I98.2Very high96.7Very high3 Ų361.7 Ų61.72%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-119.7119175.3-56.7165.7000108.3L214 I227 K246 W260 R264L214-I262 HydrophobicContact CD2-CD1 3.82Å; I227-I262 HydrophobicContact CB-CB 4.01Å; I227-I262 WeakPolarHBondContact CB-O 3.07Å; I227-I262 HydrophobicContact CD1-CB 4.39Å; I227-I262 HydrophobicContact CD1-CG2 4.22Å; I227-I262 HydrophobicContact CG2-CB 4.2Å; I227-I262 HydrophobicContact CG2-CD1 4.27Å; I227-I262 PolarHBondContact N-O 3.01Å; I227-I262 VanDerWaalsContact N-O 3.08Å; I227-I262 PolarHBondContact O-N 3.01Å; K246-I262 HydrophobicContact CD-CG2 4.34Å; K246-I262 HydrophobicContact CG-CG2 4.1Å; W260-I262 HydrophobicContact CD2-CD1 4.24Å; W260-I262 HydrophobicContact CH2-CD1 4.15Å; W260-I262 HydrophobicContact CZ2-CD1 3.7Å; W260-I262 HydrophobicContact CZ2-CG1 4.34Å; I262-R264 PolarHBondContact O-N 3.48Å
263R97Very high96.8Very high229 Ų22958.1 Ų58.186%0.86429%0.291SS*.EExtended strand (participates in β ladder)trans-61.7-44.9-178.8-178177.1175.6174.7-1.5112.1Q225 K226Q225-R263 WeakPolarHBondContact CA-O 3.22Å; K226-R263 PolarHBondContact N-O 3.04Å
264R96.8Very high97Very high141 Ų14157.6 Ų57.653%0.53228%0.283SS..EExtended strand (participates in β ladder)trans-155.2140.3-175.3-168.1171.769.2175.30.7112.4F223 A224 Q225 K246 I262F223-R264 HydrophobicContact CB-CG 3.79Å; F223-R264 HydrophobicContact CD1-CG 3.88Å; F223-R264 HydrophobicContact CG-CG 4.21Å; A224-R264 VanDerWaalsContact O-CA 3.24Å; A224-R264 WeakPolarHBondContact O-CA 3.44Å; A224-R264 WeakPolarHBondContact O-CG 3.29Å; Q225-R264 HydrophobicContact CG-CG 4.31Å; K246-R264 WeakPolarHBondContact CE-O 3.25Å; K246-R264 PolarHBondContact NZ-O 3.02Å; I262-R264 PolarHBondContact O-N 3.48Å
265I97.1Very high97.1Very high1 Ų153 Ų531%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-137.6136.5170.2-166.6165.4000109.7F194 A216 F223 A224 I227 K269F194-I265 HydrophobicContact CE1-CG2 3.71Å; F194-I265 HydrophobicContact CZ-CG2 3.84Å; A216-I265 HydrophobicContact CB-CD1 4.3Å; A216-I265 HydrophobicContact CB-CG1 4.39Å; A216-I265 HydrophobicContact CB-CG2 4.38Å; F223-I265 CarbonylContact C-O 3.5Å; F223-I265 WeakPolarHBondContact CA-O 3.38Å; A224-I265 HydrophobicContact CB-CG2 3.98Å; A224-I265 PolarHBondContact N-O 3.12Å; A224-I265 PolarHBondContact O-N 3.27Å; I227-I265 HydrophobicContact CD1-CB 4.17Å; I227-I265 HydrophobicContact CD1-CG2 3.5Å; I227-I265 VanDerWaalsContact CD1-CG2 3.5Å; I227-I265 HydrophobicContact CG1-CG2 4.5Å; I265-K269 HydrophobicContact CD1-CB 4.33Å; I265-K269 HydrophobicContact CG1-CB 4.07Å
266S97.6Very high97.3Very high20 Ų2051.5 Ų51.514%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-79158.7172.359.40000110.1L222 K269L222-S266 WeakPolarHBondContact O-CA 3.25Å; S266-K269 WeakPolarHBondContact OG-CG 3.47Å
267G97.6Very high97.4Very high1 Ų149.7 Ų49.71%0.0123%0.229CC..THydrogen-bonded Turntrans-61158.6172.700000112.6F218 R219 P220 L222 K269F218-G267 VanDerWaalsContact CD2-CA 3.45Å; F218-G267 CarbonylContact O-C 3.55Å; F218-G267 WeakPolarHBondContact O-CA 3.49Å; R219-G267 WeakPolarHBondContact O-CA 3.39Å; P220-G267 WeakPolarHBondContact CA-O 3.2Å; L222-G267 PolarHBondContact O-N 3.41Å; L222-G267 VanDerWaalsContact O-N 3.1Å; G267-K269 PolarHBondContact O-N 3.44Å
268M97.5Very high97.4Very high126 Ų12653.5 Ų53.562%0.62125%0.246SC*.THydrogen-bonded Turntrans55.930.4-178.7-53.7-57.2-69.900113.8A216 F218 P220A216-M268 VanDerWaalsContact O-CA 3.23Å; A216-M268 WeakPolarHBondContact O-CA 3.39Å; A216-M268 PolarHBondContact O-N 3.09Å; F218-M268 WeakPolarHBondContact O-CG 3.27Å; F218-M268 PolarHBondContact O-N 2.91Å; P220-M268 HydrophobicContact CB-CB 4.45Å; P220-M268 HydrophobicContact CB-CG 4.42Å
269K97.1Very high97.1Very high116 Ų11654.7 Ų54.750%0.50425%0.253SS..  trans-118146173.3-66.3-59.8-177.6-1750110.7A216 I265 S266 G267A216-K269 VanDerWaalsContact CB-O 3.32Å; A216-K269 WeakPolarHBondContact CB-O 3.45Å; A216-K269 PolarHBondContact N-O 2.85Å; I265-K269 HydrophobicContact CD1-CB 4.33Å; I265-K269 HydrophobicContact CG1-CB 4.07Å; S266-K269 WeakPolarHBondContact OG-CG 3.47Å; G267-K269 PolarHBondContact O-N 3.44Å
270D95.6Very high96.7Very high92 Ų9259.6 Ų59.649%0.49228%0.278SS..EExtended strand (participates in β ladder)trans-111.5148.7174.7-65.2-3.4000109.4L214 K215L214-D270 CarbonylContact O-C 3.58Å; L214-D270 WeakPolarHBondContact O-CA 3.24Å; K215-D270 WeakPolarHBondContact CA-OD1 3.19Å; K215-D270 VanDerWaalsContact CB-OD1 3.32Å; K215-D270 WeakPolarHBondContact CB-OD1 3.46Å; K215-D270 VanDerWaalsContact CE-OD2 3.24Å; K215-D270 WeakPolarHBondContact CE-OD2 3.46Å; K215-D270 WeakPolarHBondContact CG-OD1 3.32Å; K215-D270 IonicContact NZ-OD2 3.7Å
271C96.7Very high95.8Very high13 Ų1366.7 Ų66.79%0.08831%0.311CS..EExtended strand (participates in β ladder)trans-141.2156.6167.656.10000109.5L214 K246 W260L214-C271 PolarHBondContact N-O 3.45Å; L214-C271 PolarHBondContact O-N 3.14Å; K246-C271 HydrophobicContact CB-CB 4.08Å; K246-C271 HydrophobicContact CD-CB 4.31Å; W260-C271 HydrophobicContact CH2-CB 4.12Å; W260-C271 VanDerWaalsContact CH2-SG 3.54Å; W260-C271 HydrophobicContact CZ2-CB 4.18Å
272Q96.9Very high94.4Very high82 Ų8263.9 Ų63.938%0.38331%0.306SS..EExtended strand (participates in β ladder)trans-132.5149-177.566-178.3-10.900111.3K211 V212 I213K211-Q272 VanDerWaalsContact NZ-OE1 3.1Å; V212-Q272 VanDerWaalsContact O-CA 3.31Å; V212-Q272 WeakPolarHBondContact O-CA 3.48Å; I213-Q272 HydrophobicContact CG1-CB 4.44Å
273L98Very high92.8Very high0 Ų067.5 Ų67.50%033%0.332CS..EExtended strand (participates in β ladder)trans-122.4135.9167.8177.6151.9000108.2K211 V212 I231 V243 C244 A249 I258 W260 A275K211-L273 CarbonylContact C-O 3.5Å; K211-L273 WeakPolarHBondContact CA-O 3.25Å; V212-L273 PolarHBondContact N-O 3.31Å; V212-L273 PolarHBondContact O-N 2.96Å; I231-L273 HydrophobicContact CD1-CD1 4.18Å; I231-L273 HydrophobicContact CD1-CD2 3.87Å; V243-L273 WeakPolarHBondContact O-CA 3.22Å; C244-L273 HydrophobicContact CB-CB 4.28Å; C244-L273 HydrophobicContact CB-CD1 4.28Å; C244-L273 HydrophobicContact CB-CG 4.31Å; A249-L273 HydrophobicContact CB-CD1 3.47Å; A249-L273 VanDerWaalsContact CB-CD1 3.47Å; I258-L273 HydrophobicContact CG2-CD1 4.25Å; W260-L273 HydrophobicContact CB-CD1 3.68Å; W260-L273 HydrophobicContact CD2-CB 3.94Å; W260-L273 HydrophobicContact CD2-CD1 3.7Å; W260-L273 HydrophobicContact CE3-CB 3.83Å; W260-L273 HydrophobicContact CE3-CD1 4.13Å; W260-L273 HydrophobicContact CG-CD1 3.5Å; W260-L273 HydrophobicContact CH2-CB 4.08Å; W260-L273 HydrophobicContact CZ2-CB 4.17Å; W260-L273 HydrophobicContact CZ3-CB 3.9Å; L273-A275 HydrophobicContact CD2-CB 4.04Å
274S98Very high91.2Very high51 Ų5163.5 Ų63.536%0.35733%0.328SS..EExtended strand (participates in β ladder)trans-116.7137.2168.6-61.10000108.3V210 V243V210-S274 CarbonylContact O-C 3.58Å; V210-S274 WeakPolarHBondContact O-CA 3.3Å; V243-S274 PolarHBondContact N-O 3.3Å; V243-S274 PolarHBondContact O-N 2.89Å
275A97.7Very high89.5Confident8 Ų866.5 Ų66.57%0.06635%0.345CS..EExtended strand (participates in β ladder)trans-134.9138.9176.800000110.2V210 Q241 V242 I258 L273V210-A275 HydrophobicContact CB-CB 4.36Å; V210-A275 PolarHBondContact N-O 2.97Å; V210-A275 PolarHBondContact O-N 3.31Å; Q241-A275 CarbonylContact O-C 3.53Å; Q241-A275 WeakPolarHBondContact O-CA 3.32Å; V242-A275 HydrophobicContact CG1-CB 3.82Å; I258-A275 HydrophobicContact CD1-CB 3.49Å; I258-A275 VanDerWaalsContact CD1-CB 3.49Å; L273-A275 HydrophobicContact CD2-CB 4.04Å
276E97.6Very high87.8Confident56 Ų5672 Ų7226%0.26237%0.37SS..EExtended strand (participates in β ladder)trans-109122.4169.2-179.5172.6139.500107.6K207 V240 Q241K207-E276 HydrophobicContact CD-CG 4.35Å; K207-E276 VanDerWaalsContact CE-CG 3.44Å; K207-E276 WeakPolarHBondContact CE-OE1 3.43Å; K207-E276 VanDerWaalsContact CE-OE2 3.23Å; K207-E276 WeakPolarHBondContact CE-OE2 3.45Å; K207-E276 HydrophobicContact CG-CG 4.34Å; K207-E276 IonicContact NZ-OE1 3.22Å; K207-E276 PolarHBondContact NZ-OE1 3.15Å; K207-E276 IonicContact NZ-OE2 2.63Å; K207-E276 PolarHBondContact NZ-OE2 2.88Å; V240-E276 CarbonylContact C-O 3.59Å; V240-E276 WeakPolarHBondContact CA-O 3.45Å; Q241-E276 HydrophobicContact CB-CB 4.31Å; Q241-E276 PolarHBondContact N-O 3.39Å; Q241-E276 PolarHBondContact O-N 3.36Å
277I96.8Very high86.3Confident0 Ų080.6 Ų80.60%041%0.405CS..EExtended strand (participates in β ladder)trans-116.6118.6-175.6-62.3166.4000108K207 M208 V210 T233 T237 G239 V240 I258 L279K207-I277 CarbonylContact C-O 3.5Å; K207-I277 WeakPolarHBondContact CA-O 3.3Å; M208-I277 HydrophobicContact CB-CB 4.33Å; M208-I277 HydrophobicContact CE-CB 4.45Å; M208-I277 HydrophobicContact CE-CD1 3.5Å; M208-I277 VanDerWaalsContact CE-CD1 3.5Å; M208-I277 PolarHBondContact N-O 2.92Å; M208-I277 PolarHBondContact O-N 3.12Å; V210-I277 HydrophobicContact CB-CD1 4.45Å; V210-I277 HydrophobicContact CG2-CD1 3.72Å; T233-I277 HydrophobicContact CG2-CD1 3.76Å; T237-I277 HydrophobicContact CG2-CG2 3.81Å; T237-I277 WeakPolarHBondContact OG1-CG2 3.41Å; G239-I277 WeakPolarHBondContact O-CA 3.43Å; V240-I277 HydrophobicContact CG1-CG1 4.24Å; V240-I277 HydrophobicContact CG2-CG1 4.27Å; V240-I277 HydrophobicContact CG2-CG2 4.49Å; I258-I277 HydrophobicContact CD1-CD1 4.17Å; I258-I277 HydrophobicContact CD1-CG1 4.41Å; I277-L279 HydrophobicContact CG2-CD2 3.76Å
278E96.1Very high85.1Confident82 Ų8290.6 Ų90.638%0.38344%0.443SS..EExtended strand (participates in β ladder)trans-84.7138.1171.1-64.4175.2-174.200109.6T237 S238 G239T237-E278 WeakPolarHBondContact CA-O 3.32Å; S238-E278 PolarHBondContact N-O 2.86Å; S238-E278 VanDerWaalsContact OG-CB 3.29Å; S238-E278 WeakPolarHBondContact OG-CB 3.3Å; S238-E278 PolarHBondContact OG-O 2.65Å; G239-E278 PolarHBondContact O-N 3.19Å
279L92.9Very high84.2Confident25 Ų2587.6 Ų87.613%0.13142%0.424CS..EExtended strand (participates in β ladder)trans-120.1132.5-176.9-55.4177.9000109.4T206 M208 P234 N236 I277T206-L279 WeakPolarHBondContact CA-O 3.31Å; T206-L279 PolarHBondContact O-N 3.21Å; M208-L279 HydrophobicContact CB-CD1 4.22Å; P234-L279 HydrophobicContact CB-CD2 3.86Å; P234-L279 HydrophobicContact CG-CD2 3.7Å; N236-L279 WeakPolarHBondContact O-CA 3.37Å; I277-L279 HydrophobicContact CG2-CD2 3.76Å
280L89.9Confident83.3Confident107 Ų10790.2 Ų90.256%0.5644%0.441SS*.  trans-66136.7164-64172.2000108.6N236 A282N236-L280 HydrophobicContact CB-CB 4.41Å; N236-L280 PolarHBondContact ND2-O 2.99Å; N236-L280 PolarHBondContact O-N 3.31Å; L280-A282 PolarHBondContact O-N 2.76Å
281Q79.2Confident82.9Confident149 Ų14989.1 Ų89.170%0.69643%0.43SS*.  trans-58112.2176.1-76.4-171-12.500109.7T206T206-Q281 HydrophobicContact CG2-CG 3.67Å
282A69.1Low82.7Confident39 Ų3991.1 Ų91.132%0.32244%0.442SS..  trans-71.9133.317100000108.8L280 Q286L280-A282 PolarHBondContact O-N 2.76Å; A282-Q286 HydrophobicContact CB-CB 4.02Å; A282-Q286 HydrophobicContact CB-CG 4.13Å
283S63.7Low82.7Confident80 Ų8089 Ų8956%0.55944%0.436SS*.  trans-53.6141.616758.20000109.6K285 Q286S283-K285 PolarHBondContact O-N 2.76Å; S283-Q286 PolarHBondContact O-N 3.4Å
284D62.8Low82.7Confident145 Ų14589.1 Ų89.178%0.77544%0.437SS*.THydrogen-bonded Turntrans-55.8-10-174.8-76.2-34.2000114.8K205K205-D284 IonicContact NZ-OD1 2.66Å; K205-D284 PolarHBondContact NZ-OD1 2.66Å
285K61.6Low82.7Confident203 Ų20388.3 Ų88.388%0.88343%0.431SS*.THydrogen-bonded Turntrans-83.2-6.2173.5-65.1-172.6179.3-178.40115.1S283 K287S283-K285 PolarHBondContact O-N 2.76Å; K285-K287 PolarHBondContact O-N 2.83Å
286Q60.7Low82.7Confident117 Ų11788 Ų8855%0.54743%0.428SS..SBendtrans-73.5126.8178.6-80.8-161.8-11.900111.2A282 S283 R288A282-Q286 HydrophobicContact CB-CB 4.02Å; A282-Q286 HydrophobicContact CB-CG 4.13Å; S283-Q286 PolarHBondContact O-N 3.4Å; Q286-R288 PolarHBondContact O-N 2.98Å
287K66.4Low82.7Confident201 Ų20189 Ų8987%0.87444%0.435SS*.PPolyproline II helixtrans-54.4137.8172.3-76.8-177.1176.11800109.8K285 W289K285-K287 PolarHBondContact O-N 2.83Å; K287-W289 PolarHBondContact O-N 3.47Å
288R73Confident82.8Confident211 Ų21189.3 Ų89.380%0.79644%0.437SS*.PPolyproline II helixtrans-48.7128.5174.4-170.3177.3-174.3-175.71.8109.6Q286 M290Q286-R288 PolarHBondContact O-N 2.98Å; R288-M290 PolarHBondContact O-N 2.59Å; R288-M290 VanDerWaalsContact O-N 3.08Å
289W79.4Confident82.9Confident62 Ų6287.5 Ų87.524%0.23543%0.428CS..PPolyproline II helixtrans-56.8116.5-178.6178.150.8000110.2M208 P232 P234 K287 R291M208-W289 HydrophobicContact CE-CH2 4.01Å; M208-W289 HydrophobicContact CE-CZ3 3.68Å; M208-W289 HydrophobicContact SD-CE3 4.31Å; M208-W289 HydrophobicContact SD-CZ3 3.69Å; P232-W289 HydrophobicContact CB-CZ2 4.31Å; P234-W289 HydrophobicContact CB-CD2 4.18Å; P234-W289 HydrophobicContact CB-CG 4.4Å; P234-W289 HydrophobicContact CG-CD2 3.77Å; P234-W289 HydrophobicContact CG-CE3 3.64Å; P234-W289 HydrophobicContact CG-CG 4.43Å; P234-W289 HydrophobicContact CG-CH2 4.02Å; P234-W289 HydrophobicContact CG-CZ2 4.12Å; P234-W289 HydrophobicContact CG-CZ3 3.77Å; K287-W289 PolarHBondContact O-N 3.47Å; W289-R291 VanDerWaalsContact C-N 3.27Å; W289-R291 HydrophobicContact CD2-CG 4.1Å; W289-R291 HydrophobicContact CE3-CB 4.46Å; W289-R291 HydrophobicContact CE3-CG 3.54Å; W289-R291 HydrophobicContact CH2-CG 4.31Å; W289-R291 HydrophobicContact CZ3-CB 4.41Å; W289-R291 HydrophobicContact CZ3-CG 3.67Å; W289-R291 PolarHBondContact O-N 3.42Å
290M77.9Confident83.1Confident172 Ų17286.4 Ų86.485%0.84742%0.422SS*.  trans-7882.4174.4-73-179.346.500108.2R288 P292R288-M290 PolarHBondContact O-N 2.59Å; R288-M290 VanDerWaalsContact O-N 3.08Å; M290-P292 WeakPolarHBondContact O-CD 3.44Å
291R86.9Confident83.5Confident69 Ų6984.3 Ų84.326%0.2642%0.415SS..  trans-40.5101-179.4-62.7-179.3-176.7174.21111.5E202 W289 C343E202-R291 IonicContact OE1-CZ 3.29Å; E202-R291 IonicContact OE1-NE 3.06Å; E202-R291 IonicContact OE1-NH2 2.9Å; E202-R291 PolarHBondContact OE1-NH2 2.83Å; W289-R291 VanDerWaalsContact C-N 3.27Å; W289-R291 HydrophobicContact CD2-CG 4.1Å; W289-R291 HydrophobicContact CE3-CB 4.46Å; W289-R291 HydrophobicContact CE3-CG 3.54Å; W289-R291 HydrophobicContact CH2-CG 4.31Å; W289-R291 HydrophobicContact CZ3-CB 4.41Å; W289-R291 HydrophobicContact CZ3-CG 3.67Å; W289-R291 PolarHBondContact O-N 3.42Å; R291-C343 PolarHBondContact NH1-OXT 2.86Å
292P92.9Very high84.3Confident54 Ų5478.8 Ų78.835%0.35139%0.389SS..PPolyproline II helixtrans-65.6149.3179.1-16.430.7000109P232 M290 C343P232-P292 HydrophobicContact CB-CB 4Å; P232-P292 HydrophobicContact CB-CG 4.01Å; P232-P292 HydrophobicContact CG-CB 3.89Å; P232-P292 HydrophobicContact CG-CG 4.45Å; P232-P292 WeakPolarHBondContact CG-O 3.28Å; M290-P292 WeakPolarHBondContact O-CD 3.44Å; P292-C343 PolarHBondContact O-SG 2.95Å
293P96.2Very high85.7Confident39 Ų3977.4 Ų77.425%0.25338%0.377SS..PPolyproline II helixtrans-63.3148.4-178.427.4-34.2000111.6P232 S295 E340 T341 R342P232-P293 WeakPolarHBondContact CG-O 3.31Å; P293-S295 PolarHBondContact O-N 3.13Å; P293-E340 HydrophobicContact CB-CB 4.04Å; P293-E340 HydrophobicContact CB-CG 4.47Å; P293-E340 HydrophobicContact CG-CB 4.35Å; P293-E340 HydrophobicContact CG-CG 4.37Å; P293-T341 CarbonylContact C-O 3.59Å; P293-T341 WeakPolarHBondContact CA-O 3.33Å; P293-R342 HydrophobicContact CB-CG 4.48Å
294I97.6Very high87.2Confident2 Ų273.6 Ų73.61%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-71124.5167.1-60.4-174.2000107.7I196 P198 V212 V229 H230 I231 E340 T341I196-I294 HydrophobicContact CD1-CG2 3.97Å; I196-I294 HydrophobicContact CG2-CD1 4.33Å; I196-I294 HydrophobicContact CG2-CG2 4.18Å; P198-I294 HydrophobicContact CB-CD1 3.73Å; V212-I294 HydrophobicContact CG1-CD1 4.41Å; V212-I294 HydrophobicContact CG2-CD1 3.81Å; V229-I294 HydrophobicContact CG1-CG2 3.53Å; H230-I294 WeakPolarHBondContact O-CA 3.34Å; H230-I294 VanDerWaalsContact O-CG2 3.29Å; H230-I294 WeakPolarHBondContact O-CG2 3.27Å; I231-I294 HydrophobicContact CG1-CD1 4.38Å; I231-I294 HydrophobicContact CG1-CG2 4.23Å; I231-I294 HydrophobicContact CG2-CD1 4.14Å; I231-I294 HydrophobicContact CG2-CG1 4.43Å; I294-E340 CarbonylContact O-C 3.58Å; I294-E340 VanDerWaalsContact O-CA 3.31Å; I294-E340 WeakPolarHBondContact O-CA 3.45Å; I294-T341 PolarHBondContact N-O 3.14Å; I294-T341 PolarHBondContact O-N 2.83Å
295S97.8Very high88.7Confident34 Ų3467 Ų6724%0.23832%0.317CS..EExtended strand (participates in β ladder)trans-105.1154.5176.265.60000111.4H230 P293 Y339H230-S295 WeakPolarHBondContact CB-OG 3.32Å; H230-S295 PolarHBondContact N-O 2.86Å; H230-S295 PolarHBondContact O-N 3.27Å; H230-S295 VanDerWaalsContact O-N 3.1Å; P293-S295 PolarHBondContact O-N 3.13Å; S295-Y339 CarbonylContact C-O 3.3Å; S295-Y339 WeakPolarHBondContact CA-O 3.4Å
296M97.8Very high90.3Very high2 Ų258.9 Ų58.91%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-137.6130.1-177.1-169.7-177179.400111.8F194 I196 L214 I227 E228 V229 F298 S336 Y339F194-M296 HydrophobicContact CB-CE 3.99Å; F194-M296 HydrophobicContact CB-SD 3.68Å; F194-M296 HydrophobicContact CD1-CE 3.71Å; F194-M296 HydrophobicContact CD1-SD 4.49Å; F194-M296 HydrophobicContact CD2-CE 3.51Å; F194-M296 HydrophobicContact CD2-SD 4.04Å; F194-M296 HydrophobicContact CE1-CE 3.95Å; F194-M296 HydrophobicContact CE2-CE 3.78Å; F194-M296 HydrophobicContact CG-CE 3.45Å; F194-M296 VanDerWaalsContact CG-CE 3.45Å; F194-M296 HydrophobicContact CG-SD 3.84Å; F194-M296 HydrophobicContact CZ-CE 3.96Å; I196-M296 HydrophobicContact CD1-CB 3.83Å; I196-M296 HydrophobicContact CD1-CG 4.24Å; I196-M296 HydrophobicContact CD1-SD 3.96Å; I196-M296 HydrophobicContact CG1-SD 4.33Å; L214-M296 HydrophobicContact CD1-CE 3.61Å; L214-M296 HydrophobicContact CD1-SD 3.73Å; L214-M296 HydrophobicContact CD2-CE 3.87Å; L214-M296 HydrophobicContact CG-CE 4.37Å; I227-M296 HydrophobicContact CG1-CE 4.5Å; I227-M296 HydrophobicContact CG2-CE 3.43Å; I227-M296 VanDerWaalsContact CG2-CE 3.43Å; E228-M296 CarbonylContact O-C 3.54Å; E228-M296 WeakPolarHBondContact O-CA 3.43Å; V229-M296 HydrophobicContact CG2-CG 4.19Å; M296-F298 HydrophobicContact CE-CB 4.26Å; M296-F298 HydrophobicContact CE-CD1 4Å; M296-F298 HydrophobicContact CE-CG 4.5Å; M296-F298 HydrophobicContact CG-CD1 3.99Å; M296-F298 HydrophobicContact SD-CD1 3.89Å; M296-F298 HydrophobicContact SD-CE1 4.4Å; M296-S336 VanDerWaalsContact O-CB 3.23Å; M296-S336 WeakPolarHBondContact O-CB 3.46Å; M296-Y339 HydrophobicContact CB-CD1 4.05Å; M296-Y339 PolarHBondContact N-O 3.33Å; M296-Y339 WeakPolarHBondContact O-CB 3.4Å
297N98.4Very high91.9Very high77 Ų7753.4 Ų53.441%0.41227%0.265SS..EExtended strand (participates in β ladder)trans-103.9139.5166.4-66.8-55.2000111I227 E228 S336I227-N297 CarbonylContact C-O 3.56Å; I227-N297 VanDerWaalsContact CA-O 3.27Å; I227-N297 WeakPolarHBondContact CA-O 3.4Å; E228-N297 HydrophobicContact CB-CB 4.29Å; E228-N297 PolarHBondContact N-O 2.93Å; E228-N297 PolarHBondContact O-N 2.83Å; N297-S336 WeakPolarHBondContact CA-OG 3.48Å; N297-S336 PolarHBondContact OD1-OG 2.64Å
298F98.3Very high93.2Very high6 Ų649.6 Ų49.63%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-160.1166.6175.260.1-98.9000112.7P193 F194 I227 M296 V300 K335 S336 Y339P193-F298 HydrophobicContact CB-CE2 4.34Å; P193-F298 HydrophobicContact CG-CD2 4.32Å; P193-F298 HydrophobicContact CG-CE1 4.19Å; P193-F298 HydrophobicContact CG-CE2 3.41Å; P193-F298 VanDerWaalsContact CG-CE2 3.41Å; P193-F298 HydrophobicContact CG-CZ 3.34Å; F194-F298 HydrophobicContact CD2-CB 4.22Å; F194-F298 AromaticContact CD2-CD1 3.58Å; F194-F298 HydrophobicContact CD2-CD1 3.58Å; F194-F298 HydrophobicContact CD2-CD2 4.07Å; F194-F298 AromaticContact CD2-CE1 3.89Å; F194-F298 HydrophobicContact CD2-CE1 3.89Å; F194-F298 HydrophobicContact CD2-CE2 4.37Å; F194-F298 AromaticContact CD2-CG 3.68Å; F194-F298 HydrophobicContact CD2-CG 3.68Å; F194-F298 HydrophobicContact CD2-CZ 4.29Å; F194-F298 HydrophobicContact CE2-CB 3.67Å; F194-F298 AromaticContact CE2-CD1 3.94Å; F194-F298 HydrophobicContact CE2-CD1 3.94Å; F194-F298 AromaticContact CE2-CD2 3.88Å; F194-F298 HydrophobicContact CE2-CD2 3.88Å; F194-F298 AromaticContact CE2-CG 3.54Å; F194-F298 HydrophobicContact CE2-CG 3.54Å; I227-F298 HydrophobicContact CG1-CB 4.11Å; M296-F298 HydrophobicContact CE-CB 4.26Å; M296-F298 HydrophobicContact CE-CD1 4Å; M296-F298 HydrophobicContact CE-CG 4.5Å; M296-F298 HydrophobicContact CG-CD1 3.99Å; M296-F298 HydrophobicContact SD-CD1 3.89Å; M296-F298 HydrophobicContact SD-CE1 4.4Å; F298-V300 HydrophobicContact CD2-CG1 4.04Å; F298-V300 HydrophobicContact CE2-CG1 4.43Å; F298-V300 HydrophobicContact CE2-CG2 4.48Å; F298-K335 WeakPolarHBondContact O-CA 3.38Å; F298-S336 PolarHBondContact N-OG 3.04Å; F298-S336 PolarHBondContact O-N 3.03Å; F298-Y339 HydrophobicContact CE1-CD1 4.07Å; F298-Y339 AromaticContact CE1-CD2 3.65Å; F298-Y339 HydrophobicContact CE1-CD2 3.65Å; F298-Y339 HydrophobicContact CE1-CE1 4.22Å; F298-Y339 AromaticContact CE1-CE2 3.83Å; F298-Y339 HydrophobicContact CE1-CE2 3.83Å; F298-Y339 AromaticContact CE1-CG 3.76Å; F298-Y339 HydrophobicContact CE1-CG 3.76Å; F298-Y339 AromaticContact CZ-CD2 3.84Å; F298-Y339 HydrophobicContact CZ-CD2 3.84Å; F298-Y339 AromaticContact CZ-CE2 3.84Å; F298-Y339 HydrophobicContact CZ-CE2 3.84Å; F298-Y339 HydrophobicContact CZ-CG 4.4Å
299E98.4Very high94.2Very high43 Ų4341 Ų4120%0.20122%0.219CC..EExtended strand (participates in β ladder)trans-131.6132168.7-168.9176.1137.300109.7A224 Q225 K226 I333 G334 K335A224-E299 CarbonylContact C-O 3.54Å; A224-E299 VanDerWaalsContact CA-O 3.26Å; A224-E299 WeakPolarHBondContact CA-O 3.38Å; Q225-E299 PolarHBondContact N-O 3Å; Q225-E299 PolarHBondContact O-N 3.02Å; K226-E299 IonicContact NZ-OE2 3.59Å; K226-E299 PolarHBondContact NZ-OE2 3.15Å; E299-I333 HydrophobicContact CG-CG2 3.93Å; E299-G334 CarbonylContact C-O 3.52Å; E299-G334 WeakPolarHBondContact CA-O 3.23Å; E299-K335 HydrophobicContact CB-CG 4.39Å; E299-K335 HydrophobicContact CG-CG 4.05Å; E299-K335 WeakPolarHBondContact OE2-CE 3.5Å
300V98.2Very high94.7Very high2 Ų243.9 Ų43.91%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-126.3143.1178.4-66.30000111.3P193 F194 A224 F298 F302 P304 G334P193-V300 HydrophobicContact CB-CG1 4Å; F194-V300 HydrophobicContact CE2-CG1 4.18Å; A224-V300 HydrophobicContact CB-CG1 3.74Å; F298-V300 HydrophobicContact CD2-CG1 4.04Å; F298-V300 HydrophobicContact CE2-CG1 4.43Å; F298-V300 HydrophobicContact CE2-CG2 4.48Å; V300-F302 HydrophobicContact CB-CD1 3.74Å; V300-F302 HydrophobicContact CB-CE1 3.46Å; V300-F302 VanDerWaalsContact CB-CE1 3.46Å; V300-F302 HydrophobicContact CB-CZ 4.03Å; V300-F302 HydrophobicContact CG1-CE1 3.89Å; V300-F302 HydrophobicContact CG1-CZ 4.27Å; V300-F302 HydrophobicContact CG2-CD1 3.96Å; V300-F302 HydrophobicContact CG2-CD2 4.38Å; V300-F302 HydrophobicContact CG2-CE1 3.74Å; V300-F302 HydrophobicContact CG2-CE2 4.16Å; V300-F302 HydrophobicContact CG2-CG 4.3Å; V300-F302 HydrophobicContact CG2-CZ 3.86Å; V300-F302 PolarHBondContact O-N 2.58Å; V300-P304 HydrophobicContact CG2-CG 4.3Å; V300-G334 WeakPolarHBondContact CG2-O 3.37Å; V300-G334 PolarHBondContact N-O 3.28Å; V300-G334 PolarHBondContact O-N 3.04Å
301P97.2Very high95.4Very high63 Ų6338.5 Ų38.541%0.40920%0.202SC..SBendtrans-86.741.4-174.737.2-38.5000112.7L222 F223 Y332L222-P301 HydrophobicContact CB-CG 4.2Å; L222-P301 HydrophobicContact CD2-CG 4.24Å; F223-P301 WeakPolarHBondContact O-CD 3.36Å; P301-Y332 CarbonylContact C-O 3.59Å; P301-Y332 VanDerWaalsContact C-O 3.3Å
302F97Very high95.8Very high33 Ų3335.9 Ų35.915%0.14519%0.193CC..SBendtrans-152.4165.2178.262.6-91.9000110P193 F218 L222 V300 P304 G334P193-F302 HydrophobicContact CB-CZ 3.91Å; F218-F302 HydrophobicContact CB-CE1 3.65Å; F218-F302 HydrophobicContact CB-CZ 3.6Å; F218-F302 HydrophobicContact CD1-CE1 4.24Å; F218-F302 HydrophobicContact CD1-CZ 4.32Å; F218-F302 HydrophobicContact CD2-CE1 4.04Å; F218-F302 AromaticContact CG-CE1 3.72Å; F218-F302 HydrophobicContact CG-CE1 3.72Å; F218-F302 HydrophobicContact CG-CZ 4.01Å; L222-F302 HydrophobicContact CD1-CB 4.41Å; L222-F302 HydrophobicContact CD1-CD1 3.78Å; L222-F302 HydrophobicContact CD1-CE1 4.43Å; L222-F302 HydrophobicContact CD1-CG 4.41Å; V300-F302 HydrophobicContact CB-CD1 3.74Å; V300-F302 HydrophobicContact CB-CE1 3.46Å; V300-F302 VanDerWaalsContact CB-CE1 3.46Å; V300-F302 HydrophobicContact CB-CZ 4.03Å; V300-F302 HydrophobicContact CG1-CE1 3.89Å; V300-F302 HydrophobicContact CG1-CZ 4.27Å; V300-F302 HydrophobicContact CG2-CD1 3.96Å; V300-F302 HydrophobicContact CG2-CD2 4.38Å; V300-F302 HydrophobicContact CG2-CE1 3.74Å; V300-F302 HydrophobicContact CG2-CE2 4.16Å; V300-F302 HydrophobicContact CG2-CG 4.3Å; V300-F302 HydrophobicContact CG2-CZ 3.86Å; V300-F302 PolarHBondContact O-N 2.58Å; F302-P304 HydrophobicContact CD2-CG 4.42Å; F302-P304 HydrophobicContact CE2-CG 4.18Å; F302-P304 VanDerWaalsContact O-CD 3.26Å; F302-P304 WeakPolarHBondContact O-CD 3.44Å; F302-G334 WeakPolarHBondContact O-CA 3.1Å; F302-G334 PolarHBondContact O-N 3.08Å
303A96.8Very high95.9Very high10 Ų1039 Ų398%0.08320%0.201CC..  trans-88.3110.7171.600000110.1I87 E89 S305 G306 F307 Y332I87-A303 HydrophobicContact CG2-CB 4.3Å; E89-A303 HydrophobicContact CG-CB 4.43Å; E89-A303 WeakPolarHBondContact OE1-CB 3.23Å; E89-A303 WeakPolarHBondContact OE2-CA 3.02Å; A303-S305 PolarHBondContact O-N 3.31Å; A303-G306 PolarHBondContact O-N 3.46Å; A303-F307 HydrophobicContact CB-CB 4.18Å; A303-Y332 HydrophobicContact CB-CD1 3.93Å
304P96.2Very high96Very high0 Ų037.4 Ų37.40%019%0.19CC..THydrogen-bonded Turntrans-55-25.9176.1-33.543.2000115.7E89 V91 V106 I190 S191 V300 F302 G306E89-P304 WeakPolarHBondContact OE2-CD 3.46Å; V91-P304 HydrophobicContact CG2-CB 3.38Å; V91-P304 HydrophobicContact CG2-CG 3.31Å; V106-P304 HydrophobicContact CG2-CB 4.27Å; I190-P304 HydrophobicContact CG2-CB 4.45Å; S191-P304 WeakPolarHBondContact CB-O 3.27Å; S191-P304 PolarHBondContact N-O 2.69Å; V300-P304 HydrophobicContact CG2-CG 4.3Å; F302-P304 HydrophobicContact CD2-CG 4.42Å; F302-P304 HydrophobicContact CE2-CG 4.18Å; F302-P304 VanDerWaalsContact O-CD 3.26Å; F302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-G306 VanDerWaalsContact C-N 3.26Å; P304-G306 PolarHBondContact O-N 2.87Å
305S95Very high95.9Very high8 Ų842.9 Ų42.96%0.05621%0.214CC..THydrogen-bonded Turntrans-73.9-14.7173.873.60000114.3E89 I148 A303 F307E89-S305 VanDerWaalsContact CD-OG 3.27Å; E89-S305 WeakPolarHBondContact OE1-CB 3.35Å; E89-S305 PolarHBondContact OE1-OG 2.82Å; E89-S305 PolarHBondContact OE2-N 3.1Å; E89-S305 PolarHBondContact OE2-OG 2.74Å; I148-S305 VanDerWaalsContact CD1-OG 3.27Å; I148-S305 WeakPolarHBondContact CD1-OG 3.35Å; A303-S305 PolarHBondContact O-N 3.31Å; S305-F307 VanDerWaalsContact C-N 3.31Å; S305-F307 VanDerWaalsContact OG-CB 3.31Å; S305-F307 WeakPolarHBondContact OG-CB 3.1Å; S305-F307 PolarHBondContact OG-N 3.22Å
306G93.5Very high95.8Very high32 Ų3241.6 Ų41.633%0.3321%0.205SC..  trans78.610.2-167.600000114.5N127 A303 P304 K308N127-G306 PolarHBondContact ND2-O 3.05Å; A303-G306 PolarHBondContact O-N 3.46Å; P304-G306 VanDerWaalsContact C-N 3.26Å; P304-G306 PolarHBondContact O-N 2.87Å; G306-K308 PolarHBondContact O-N 3.03Å
307F94.7Very high95.6Very high2 Ų245.4 Ų45.41%0.00923%0.232CC..  trans-52.5129.1172.7-169.5-81.8000110.9I87 V110 F124 F126 I148 I150 Y184 A303 S305 V309 Y332I87-F307 HydrophobicContact CG1-CD1 4Å; I87-F307 HydrophobicContact CG1-CE1 4.01Å; I87-F307 HydrophobicContact CG2-CB 4.48Å; I87-F307 HydrophobicContact CG2-CD1 3.9Å; I87-F307 HydrophobicContact CG2-CG 4.39Å; V110-F307 HydrophobicContact CG2-CE1 4.4Å; V110-F307 HydrophobicContact CG2-CZ 4.16Å; F124-F307 HydrophobicContact CE1-CZ 4.17Å; F124-F307 HydrophobicContact CZ-CE1 4.08Å; F124-F307 AromaticContact CZ-CZ 3.89Å; F124-F307 HydrophobicContact CZ-CZ 3.89Å; F126-F307 HydrophobicContact CB-CE1 3.92Å; F126-F307 HydrophobicContact CB-CE2 3.82Å; F126-F307 HydrophobicContact CB-CZ 3.4Å; F126-F307 HydrophobicContact CD1-CE2 4.3Å; F126-F307 HydrophobicContact CD1-CZ 4.12Å; F126-F307 HydrophobicContact CD2-CD2 4.15Å; F126-F307 AromaticContact CD2-CE2 3.42Å; F126-F307 HydrophobicContact CD2-CE2 3.42Å; F126-F307 VanDerWaalsContact CD2-CE2 3.42Å; F126-F307 AromaticContact CD2-CZ 3.92Å; F126-F307 HydrophobicContact CD2-CZ 3.92Å; F126-F307 HydrophobicContact CE2-CE2 4.05Å; F126-F307 AromaticContact CG-CE2 3.57Å; F126-F307 HydrophobicContact CG-CE2 3.57Å; F126-F307 AromaticContact CG-CZ 3.54Å; F126-F307 HydrophobicContact CG-CZ 3.54Å; I148-F307 HydrophobicContact CD1-CB 4.04Å; I148-F307 HydrophobicContact CD1-CD2 3.97Å; I148-F307 HydrophobicContact CG2-CD2 4.19Å; I150-F307 HydrophobicContact CD1-CE2 4.48Å; Y184-F307 HydrophobicContact CE1-CD2 4.1Å; Y184-F307 HydrophobicContact CE1-CE2 4.11Å; Y184-F307 HydrophobicContact CE2-CD2 4.02Å; Y184-F307 AromaticContact CZ-CD2 3.66Å; A303-F307 HydrophobicContact CB-CB 4.18Å; S305-F307 VanDerWaalsContact C-N 3.31Å; S305-F307 VanDerWaalsContact OG-CB 3.31Å; S305-F307 WeakPolarHBondContact OG-CB 3.1Å; S305-F307 PolarHBondContact OG-N 3.22Å; F307-V309 HydrophobicContact CE1-CG2 4.19Å; F307-Y332 HydrophobicContact CD1-CE1 4.47Å; F307-Y332 VanDerWaalsContact O-CE1 3.22Å; F307-Y332 WeakPolarHBondContact O-CE1 3.49Å
308K94.2Very high95.4Very high120 Ų12049 Ų4952%0.52224%0.243SC..  trans-136.5127.2178.3-70.6173.1-172.1168.30109.8F126 N127 G306 R310F126-K308 VanDerWaalsContact CA-O 3.28Å; F126-K308 WeakPolarHBondContact CA-O 3.27Å; F126-K308 WeakPolarHBondContact CB-O 3.44Å; N127-K308 HydrophobicContact CB-CB 4.42Å; N127-K308 PolarHBondContact N-O 2.78Å; N127-K308 VanDerWaalsContact N-O 3.08Å; N127-K308 PolarHBondContact OD1-N 3.28Å; N127-K308 PolarHBondContact OD1-O 2.9Å; G306-K308 PolarHBondContact O-N 3.03Å; K308-R310 PolarHBondContact O-N 3.02Å
309V93.7Very high95.1Very high32 Ų3253.1 Ų53.119%0.19427%0.265CS..EExtended strand (participates in β ladder)trans-65.1120.4165.9-179.80000108.4L85 I87 F124 F307 V330 Y332L85-V309 HydrophobicContact CD1-CG1 4.44Å; L85-V309 HydrophobicContact CD1-CG2 4.34Å; I87-V309 HydrophobicContact CD1-CG2 3.82Å; I87-V309 HydrophobicContact CG1-CG2 4.29Å; F124-V309 HydrophobicContact CD2-CG1 4.27Å; F124-V309 HydrophobicContact CE2-CB 4.2Å; F124-V309 HydrophobicContact CE2-CG1 3.67Å; F124-V309 HydrophobicContact CE2-CG2 3.71Å; F124-V309 HydrophobicContact CZ-CG2 4.06Å; F307-V309 HydrophobicContact CE1-CG2 4.19Å; V309-V330 HydrophobicContact CB-CG2 4.49Å; V309-V330 HydrophobicContact CG2-CG2 3.91Å; V309-Y332 PolarHBondContact N-OH 2.94Å
310R91.2Very high94.9Very high121 Ų12158.1 Ų58.146%0.45729%0.293SS..EExtended strand (participates in β ladder)trans-87-44.4175.1-70.8-173.566.7173.66.2111.2G125 F126 N127 K308G125-R310 WeakPolarHBondContact O-CB 3.45Å; G125-R310 PolarHBondContact O-N 2.6Å; F126-R310 WeakPolarHBondContact O-CD 3.21Å; N127-R310 HydrophobicContact CB-CG 4.39Å; K308-R310 PolarHBondContact O-N 3.02Å
311F92.3Very high94.8Very high59 Ų5958.8 Ų58.826%0.25930%0.296SS..EExtended strand (participates in β ladder)trans-156.4152.7176.560.6-96.1000111.1K123 G125 T169 K313K123-F311 HydrophobicContact CB-CE2 4.43Å; G125-F311 PolarHBondContact N-O 3.32Å; G125-F311 PolarHBondContact O-N 2.76Å; G125-F311 VanDerWaalsContact O-N 3.13Å; T169-F311 HydrophobicContact CG2-CE2 4Å; T169-F311 HydrophobicContact CG2-CZ 3.98Å; F311-K313 HydrophobicContact CD2-CD 4.43Å; F311-K313 HydrophobicContact CD2-CG 4.12Å
312L94.9Very high94.7Very high14 Ų1457.7 Ų57.77%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-134.1113165.1178.166.1000106.2L83 L85 K123 F124 D323 K328L83-L312 HydrophobicContact CB-CD2 4.2Å; L83-L312 HydrophobicContact CD1-CD2 3.63Å; L83-L312 HydrophobicContact CD1-CG 4.2Å; L85-L312 HydrophobicContact CD1-CD2 3.76Å; L85-L312 HydrophobicContact CG-CD2 4.1Å; K123-L312 WeakPolarHBondContact O-CA 3.26Å; F124-L312 HydrophobicContact CB-CD1 4.11Å; F124-L312 HydrophobicContact CD2-CD1 4.2Å; L312-D323 VanDerWaalsContact O-OD1 3.13Å; L312-K328 HydrophobicContact CB-CD 4.34Å; L312-K328 HydrophobicContact CD2-CD 4.15Å; L312-K328 HydrophobicContact CD2-CG 4.24Å; L312-K328 HydrophobicContact CG-CD 4.27Å; L312-K328 WeakPolarHBondContact O-CD 3.4Å; L312-K328 PolarHBondContact O-NZ 2.96Å
313K95.3Very high94.4Very high120 Ų12058.3 Ų58.352%0.52229%0.294SS..EExtended strand (participates in β ladder)trans-107.1140.6179.2-63.9-177.2177.3-174.40109.7C122 K123 F311 D323C122-K313 CarbonylContact C-O 3.58Å; C122-K313 VanDerWaalsContact CA-O 3.28Å; C122-K313 WeakPolarHBondContact CA-O 3.35Å; K123-K313 HydrophobicContact CB-CB 4.3Å; K123-K313 PolarHBondContact N-O 3.29Å; K123-K313 PolarHBondContact O-N 3.5Å; F311-K313 HydrophobicContact CD2-CD 4.43Å; F311-K313 HydrophobicContact CD2-CG 4.12Å; K313-D323 WeakPolarHBondContact CA-OD1 3.5Å
314V97Very high94.2Very high5 Ų566.2 Ų66.23%0.0333%0.329CS..EExtended strand (participates in β ladder)trans-125.3139.4176.3-170.90000109.7L83 L116 P120 Y321 S322 D323 V326L83-V314 HydrophobicContact CD1-CG2 3.45Å; L83-V314 VanDerWaalsContact CD1-CG2 3.45Å; L116-V314 HydrophobicContact CD1-CG1 3.91Å; P120-V314 HydrophobicContact CB-CG1 3.91Å; V314-Y321 HydrophobicContact CG1-CE2 4.03Å; V314-S322 CarbonylContact O-C 3.54Å; V314-D323 PolarHBondContact N-OD1 2.84Å; V314-D323 PolarHBondContact O-N 3.37Å; V314-V326 HydrophobicContact CB-CG2 4.01Å; V314-V326 HydrophobicContact CG1-CG2 4Å; V314-V326 HydrophobicContact CG2-CB 4.45Å; V314-V326 HydrophobicContact CG2-CG1 4.25Å; V314-V326 HydrophobicContact CG2-CG2 4.33Å
315F96.4Very high94.2Very high118 Ų11870.3 Ų70.352%0.51835%0.351SS..EExtended strand (participates in β ladder)trans-144.2129.6175.7-176.7-100.7000110.7P120 E121P120-F315 CarbonylContact C-O 3.39Å; P120-F315 WeakPolarHBondContact CA-O 3.22Å; E121-F315 PolarHBondContact N-O 3.43Å; E121-F315 PolarHBondContact O-N 2.9Å
316E96.4Very high94.3Very high7 Ų770.4 Ų70.43%0.03335%0.351CS..EExtended strand (participates in β ladder)trans-132104.1173.6172.353.3-105.300109.4M119 P120 K318 L319 N320 Y321M119-E316 VanDerWaalsContact CA-OE2 3.25Å; M119-E316 WeakPolarHBondContact CA-OE2 3.43Å; M119-E316 PolarHBondContact N-OE2 2.55Å; P120-E316 WeakPolarHBondContact CA-OE2 3.25Å; P120-E316 HydrophobicContact CB-CB 4.24Å; E316-K318 WeakPolarHBondContact OE1-CB 3.38Å; E316-K318 PolarHBondContact OE1-N 3.25Å; E316-L319 HydrophobicContact CG-CB 3.74Å; E316-L319 HydrophobicContact CG-CD1 4.33Å; E316-L319 HydrophobicContact CG-CG 4.09Å; E316-N320 WeakPolarHBondContact O-CA 3.32Å; E316-N320 PolarHBondContact O-N 2.94Å; E316-Y321 HydrophobicContact CB-CD1 3.72Å; E316-Y321 HydrophobicContact CB-CD2 4.25Å; E316-Y321 HydrophobicContact CB-CE1 3.38Å; E316-Y321 HydrophobicContact CB-CE2 3.93Å; E316-Y321 HydrophobicContact CB-CG 4.13Å; E316-Y321 VanDerWaalsContact CB-CZ 3.47Å; E316-Y321 HydrophobicContact CG-CD1 3.87Å; E316-Y321 HydrophobicContact CG-CE1 3.44Å; E316-Y321 VanDerWaalsContact CG-CE1 3.44Å; E316-Y321 PolarHBondContact N-O 2.81Å; E316-Y321 PolarHBondContact O-N 3Å; E316-Y321 VanDerWaalsContact O-N 3.16Å
317S92.5Very high94.5Very high82 Ų8270.6 Ų70.657%0.57335%0.346SS*.THydrogen-bonded Turntrans-72.4-36-176.547.80000113.5N320S317-N320 PolarHBondContact O-N 2.95Å
318K93.7Very high94.6Very high152 Ų15274 Ų7466%0.66136%0.361SS*.THydrogen-bonded Turntrans-70.3-36.7-175.3-64.9-176.6178.8-179.80111.6E74 E316E74-K318 IonicContact OE1-NZ 2.78Å; E74-K318 PolarHBondContact OE1-NZ 2.93Å; E316-K318 WeakPolarHBondContact OE1-CB 3.38Å; E316-K318 PolarHBondContact OE1-N 3.25Å
319L93.5Very high94.8Very high93 Ų9375.4 Ų75.449%0.48736%0.363SS..THydrogen-bonded Turntrans-1002.8179.4-57.4178.2000113.1E316 Y321E316-L319 HydrophobicContact CG-CB 3.74Å; E316-L319 HydrophobicContact CG-CD1 4.33Å; E316-L319 HydrophobicContact CG-CG 4.09Å; L319-Y321 VanDerWaalsContact C-N 3.34Å; L319-Y321 HydrophobicContact CB-CD1 3.91Å; L319-Y321 HydrophobicContact CB-CE1 4.21Å; L319-Y321 HydrophobicContact CD1-CE1 4.27Å; L319-Y321 PolarHBondContact O-N 3.44Å
320N92.7Very high95Very high147 Ų14777.3 Ų77.379%0.78637%0.374SS*.THydrogen-bonded Turntrans51.946.9176.5-165.539.8000113.8E316 S317E316-N320 WeakPolarHBondContact O-CA 3.32Å; E316-N320 PolarHBondContact O-N 2.94Å; S317-N320 PolarHBondContact O-N 2.95Å
321Y96Very high95.3Very high17 Ų1777.4 Ų77.47%0.06738%0.375CS..EExtended strand (participates in β ladder)trans-123.6152.6170.680.2-101.7000111.3S117 P120 V314 E316 L319 D325 V326S117-Y321 PolarHBondContact N-OH 3.01Å; S117-Y321 VanDerWaalsContact O-CE1 3.26Å; S117-Y321 WeakPolarHBondContact O-CE1 3.24Å; S117-Y321 PolarHBondContact O-OH 3.45Å; P120-Y321 WeakPolarHBondContact CB-OH 3.46Å; V314-Y321 HydrophobicContact CG1-CE2 4.03Å; E316-Y321 HydrophobicContact CB-CD1 3.72Å; E316-Y321 HydrophobicContact CB-CD2 4.25Å; E316-Y321 HydrophobicContact CB-CE1 3.38Å; E316-Y321 HydrophobicContact CB-CE2 3.93Å; E316-Y321 HydrophobicContact CB-CG 4.13Å; E316-Y321 VanDerWaalsContact CB-CZ 3.47Å; E316-Y321 HydrophobicContact CG-CD1 3.87Å; E316-Y321 HydrophobicContact CG-CE1 3.44Å; E316-Y321 VanDerWaalsContact CG-CE1 3.44Å; E316-Y321 PolarHBondContact N-O 2.81Å; E316-Y321 PolarHBondContact O-N 3Å; E316-Y321 VanDerWaalsContact O-N 3.16Å; L319-Y321 VanDerWaalsContact C-N 3.34Å; L319-Y321 HydrophobicContact CB-CD1 3.91Å; L319-Y321 HydrophobicContact CB-CE1 4.21Å; L319-Y321 HydrophobicContact CD1-CE1 4.27Å; L319-Y321 PolarHBondContact O-N 3.44Å; Y321-D325 HydrophobicContact CD2-CB 4.39Å; Y321-V326 HydrophobicContact CD2-CG2 3.86Å; Y321-V326 HydrophobicContact CE2-CG2 3.73Å
322S95Very high95.6Very high40 Ų4077.3 Ų77.328%0.2837%0.373SS..EExtended strand (participates in β ladder)trans-135.8-168.9-170.972.70000111.3V314 H324 D325V314-S322 CarbonylContact O-C 3.54Å; S322-H324 PolarHBondContact O-N 3.24Å; S322-H324 VanDerWaalsContact O-N 3.15Å; S322-D325 PolarHBondContact N-OD2 3.22Å; S322-D325 WeakPolarHBondContact O-CB 3.45Å; S322-D325 PolarHBondContact O-N 3.44Å; S322-D325 PolarHBondContact OG-OD2 2.91Å
323D91.7Very high95.7Very high46 Ų4677.7 Ų77.725%0.24638%0.375CS..G310 helixtrans-54.5-34-177.2-160.157.1000114.7L312 K313 V314 D325 V326 K328L312-D323 VanDerWaalsContact O-OD1 3.13Å; K313-D323 WeakPolarHBondContact CA-OD1 3.5Å; V314-D323 PolarHBondContact N-OD1 2.84Å; V314-D323 PolarHBondContact O-N 3.37Å; D323-D325 VanDerWaalsContact C-N 3.27Å; D323-D325 PolarHBondContact O-N 2.9Å; D323-V326 PolarHBondContact O-N 3.43Å; D323-K328 WeakPolarHBondContact OD1-CE 3.26Å; D323-K328 IonicContact OD1-NZ 3.7Å; D323-K328 PolarHBondContact OD1-NZ 3.18Å; D323-K328 IonicContact OD2-NZ 3.82Å; D323-K328 PolarHBondContact OD2-NZ 3.46Å
324H93.3Very high95.8Very high175 Ų17572 Ų7281%0.8135%0.35SS*.G310 helixtrans-74.1-19.9-179.2-62.7-70.5000113S322S322-H324 PolarHBondContact O-N 3.24Å; S322-H324 VanDerWaalsContact O-N 3.15Å
325D96.2Very high95.9Very high86 Ų8675.3 Ų75.346%0.4636%0.364SS..G310 helixtrans-93.50.7-178.3-51.4-65.6000112.3Y321 S322 D323Y321-D325 HydrophobicContact CD2-CB 4.39Å; S322-D325 PolarHBondContact N-OD2 3.22Å; S322-D325 WeakPolarHBondContact O-CB 3.45Å; S322-D325 PolarHBondContact O-N 3.44Å; S322-D325 PolarHBondContact OG-OD2 2.91Å; D323-D325 VanDerWaalsContact C-N 3.27Å; D323-D325 PolarHBondContact O-N 2.9Å
326V97.2Very high96Very high10 Ų1070.7 Ų70.76%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-118.2124.6-175.9-176.10000110.6N81 L83 L116 V314 Y321 D323 K328N81-V326 HydrophobicContact CB-CB 4.49Å; N81-V326 HydrophobicContact CB-CG1 4.45Å; N81-V326 HydrophobicContact CB-CG2 3.95Å; L83-V326 HydrophobicContact CD1-CG1 4.28Å; L83-V326 HydrophobicContact CG-CG1 4.05Å; L116-V326 HydrophobicContact CD2-CG1 3.69Å; L116-V326 HydrophobicContact CD2-CG2 4.08Å; V314-V326 HydrophobicContact CB-CG2 4.01Å; V314-V326 HydrophobicContact CG1-CG2 4Å; V314-V326 HydrophobicContact CG2-CB 4.45Å; V314-V326 HydrophobicContact CG2-CG1 4.25Å; V314-V326 HydrophobicContact CG2-CG2 4.33Å; Y321-V326 HydrophobicContact CD2-CG2 3.86Å; Y321-V326 HydrophobicContact CE2-CG2 3.73Å; D323-V326 PolarHBondContact O-N 3.43Å; V326-K328 HydrophobicContact CG1-CG 4.08Å
327V97.5Very high96Very high36 Ų3671.7 Ų71.722%0.21836%0.358CS..EExtended strand (participates in β ladder)trans-80.1128.2171.6-173.90000109.3R80 N81 E82 L83 W329R80-V327 VanDerWaalsContact CZ-CG2 3.49Å; N81-V327 PolarHBondContact O-N 3.21Å; E82-V327 CarbonylContact C-O 3.55Å; E82-V327 WeakPolarHBondContact CA-O 3.33Å; E82-V327 HydrophobicContact CG-CB 4.16Å; L83-V327 PolarHBondContact N-O 2.79Å; V327-W329 HydrophobicContact CG1-CZ2 4.47Å
328K97.1Very high96.1Very high74 Ų7472.9 Ų72.932%0.32236%0.358SS..EExtended strand (participates in β ladder)trans-122.2129-175.8-69.3169-82.3164.10110.5L83 L312 D323 V326L83-K328 HydrophobicContact CB-CG 4.23Å; L83-K328 CarbonylContact O-C 3.55Å; L83-K328 WeakPolarHBondContact O-CA 3.48Å; L312-K328 HydrophobicContact CB-CD 4.34Å; L312-K328 HydrophobicContact CD2-CD 4.15Å; L312-K328 HydrophobicContact CD2-CG 4.24Å; L312-K328 HydrophobicContact CG-CD 4.27Å; L312-K328 WeakPolarHBondContact O-CD 3.4Å; L312-K328 PolarHBondContact O-NZ 2.96Å; D323-K328 WeakPolarHBondContact OD1-CE 3.26Å; D323-K328 IonicContact OD1-NZ 3.7Å; D323-K328 PolarHBondContact OD1-NZ 3.18Å; D323-K328 IonicContact OD2-NZ 3.82Å; D323-K328 PolarHBondContact OD2-NZ 3.46Å; V326-K328 HydrophobicContact CG1-CG 4.08Å
329W97.7Very high96.4Very high149 Ų14965.8 Ų65.856%0.56433%0.327SS*.EExtended strand (participates in β ladder)trans-118.4144.5176.4-63.592.8000110.3L83 F84 L85 V327L83-W329 PolarHBondContact O-N 2.91Å; F84-W329 HydrophobicContact CD1-CB 3.6Å; F84-W329 AromaticContact CD1-CD1 3.55Å; F84-W329 AromaticContact CD1-CG 3.72Å; F84-W329 HydrophobicContact CD1-CG 3.72Å; F84-W329 HydrophobicContact CE1-CB 4.13Å; F84-W329 AromaticContact CE1-CD1 3.19Å; F84-W329 AromaticContact CE1-CG 3.71Å; F84-W329 HydrophobicContact CE1-CG 3.71Å; F84-W329 AromaticContact CE1-NE1 3.74Å; F84-W329 HydrophobicContact CG-CB 4.33Å; F84-W329 AromaticContact CZ-CD1 3.79Å; L85-W329 PolarHBondContact N-O 2.85Å; V327-W329 HydrophobicContact CG1-CZ2 4.47Å
330V97.4Very high96.6Very high72 Ų7263.6 Ų63.644%0.43631%0.314SS..EExtended strand (participates in β ladder)trans-135.2134.2172.965.10000109.3L85 I87 V309 Y332L85-V330 HydrophobicContact CB-CG2 4.25Å; L85-V330 CarbonylContact O-C 3.54Å; L85-V330 WeakPolarHBondContact O-CA 3.21Å; I87-V330 HydrophobicContact CD1-CG2 3.33Å; V309-V330 HydrophobicContact CB-CG2 4.49Å; V309-V330 HydrophobicContact CG2-CG2 3.91Å; V330-Y332 HydrophobicContact CG1-CE2 4.23Å; V330-Y332 HydrophobicContact CG2-CD2 4.41Å; V330-Y332 HydrophobicContact CG2-CE2 3.73Å
331R97.3Very high96.8Very high123 Ų12356.6 Ų56.646%0.46428%0.277SS..EExtended strand (participates in β ladder)trans-130.7145.6169.968.4179.5-173.5-177.6-1110.5L85 D86 I87 I333L85-R331 PolarHBondContact O-N 2.94Å; D86-R331 HydrophobicContact CB-CG 4.2Å; D86-R331 VanDerWaalsContact CG-NH2 3.31Å; D86-R331 VanDerWaalsContact OD1-CD 3.27Å; D86-R331 WeakPolarHBondContact OD1-CD 3.42Å; D86-R331 WeakPolarHBondContact OD1-CG 3.28Å; D86-R331 IonicContact OD1-CZ 2.72Å; D86-R331 IonicContact OD1-NE 2.73Å; D86-R331 PolarHBondContact OD1-NE 3.06Å; D86-R331 IonicContact OD1-NH2 3.38Å; D86-R331 IonicContact OD2-CZ 3.8Å; D86-R331 IonicContact OD2-NE 2.66Å; D86-R331 PolarHBondContact OD2-NE 3.35Å; D86-R331 IonicContact OD2-NH2 3.21Å; D86-R331 PolarHBondContact OD2-NH2 2.8Å; I87-R331 PolarHBondContact N-O 3.2Å; R331-I333 HydrophobicContact CG-CD1 4.35Å
332Y98.2Very high96.7Very high57 Ų5761.7 Ų61.722%0.22430%0.296CS..EExtended strand (participates in β ladder)trans-115.5127.9178.4-61.7-93.2000109.1I87 P301 A303 F307 V309 V330I87-Y332 HydrophobicContact CB-CD1 3.64Å; I87-Y332 HydrophobicContact CB-CE1 4.03Å; I87-Y332 HydrophobicContact CB-CG 4.4Å; I87-Y332 HydrophobicContact CD1-CD1 4.24Å; I87-Y332 HydrophobicContact CD1-CE1 3.98Å; I87-Y332 HydrophobicContact CG1-CD1 3.95Å; I87-Y332 HydrophobicContact CG1-CE1 3.79Å; I87-Y332 HydrophobicContact CG2-CD1 3.88Å; I87-Y332 HydrophobicContact CG2-CE1 4.28Å; P301-Y332 CarbonylContact C-O 3.59Å; P301-Y332 VanDerWaalsContact C-O 3.3Å; A303-Y332 HydrophobicContact CB-CD1 3.93Å; F307-Y332 HydrophobicContact CD1-CE1 4.47Å; F307-Y332 VanDerWaalsContact O-CE1 3.22Å; F307-Y332 WeakPolarHBondContact O-CE1 3.49Å; V309-Y332 PolarHBondContact N-OH 2.94Å; V330-Y332 HydrophobicContact CG1-CE2 4.23Å; V330-Y332 HydrophobicContact CG2-CD2 4.41Å; V330-Y332 HydrophobicContact CG2-CE2 3.73Å
333I98Very high96.2Very high23 Ų2361.6 Ų61.612%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-137.2107.7-177.4-56.6175000108.4I87 M88 E89 E299 R331 K335I87-I333 PolarHBondContact O-N 3.16Å; M88-I333 WeakPolarHBondContact CA-O 3.37Å; M88-I333 HydrophobicContact CE-CB 4.08Å; M88-I333 HydrophobicContact CE-CD1 4.4Å; M88-I333 HydrophobicContact CE-CG2 3.93Å; M88-I333 HydrophobicContact SD-CB 3.69Å; M88-I333 HydrophobicContact SD-CD1 3.69Å; M88-I333 HydrophobicContact SD-CG1 4.1Å; M88-I333 HydrophobicContact SD-CG2 4.21Å; E89-I333 PolarHBondContact N-O 2.93Å; E299-I333 HydrophobicContact CG-CG2 3.93Å; R331-I333 HydrophobicContact CG-CD1 4.35Å; I333-K335 HydrophobicContact CG2-CD 4.44Å; I333-K335 HydrophobicContact CG2-CG 4.14Å
334G98.2Very high96.5Very high0 Ų062.4 Ų62.40%030%0.297CS..EExtended strand (participates in β ladder)trans-92.3137.2168.700000110E89 E299 V300 F302E89-G334 CarbonylContact O-C 3.55Å; E89-G334 WeakPolarHBondContact O-CA 3.49Å; E299-G334 CarbonylContact C-O 3.52Å; E299-G334 WeakPolarHBondContact CA-O 3.23Å; V300-G334 WeakPolarHBondContact CG2-O 3.37Å; V300-G334 PolarHBondContact N-O 3.28Å; V300-G334 PolarHBondContact O-N 3.04Å; F302-G334 WeakPolarHBondContact O-CA 3.1Å; F302-G334 PolarHBondContact O-N 3.08Å
335K98.1Very high96.6Very high75 Ų7556.4 Ų56.433%0.32627%0.27SS..EExtended strand (participates in β ladder)trans-131.5160.1175-69.2-179.4179177.20109.9M88 E89 S90 V91 F298 E299 I333M88-K335 HydrophobicContact CE-CD 4.49Å; E89-K335 PolarHBondContact O-N 3.13Å; S90-K335 CarbonylContact C-O 3.59Å; S90-K335 WeakPolarHBondContact CA-O 3.5Å; V91-K335 PolarHBondContact N-O 3.22Å; F298-K335 WeakPolarHBondContact O-CA 3.38Å; E299-K335 HydrophobicContact CB-CG 4.39Å; E299-K335 HydrophobicContact CG-CG 4.05Å; E299-K335 WeakPolarHBondContact OE2-CE 3.5Å; I333-K335 HydrophobicContact CG2-CD 4.44Å; I333-K335 HydrophobicContact CG2-CG 4.14Å
336S97.8Very high96.7Very high21 Ų2154.8 Ų54.815%0.14726%0.26CS..EExtended strand (participates in β ladder)trans-65.5130.8163.750.60000110.3M296 N297 F298M296-S336 VanDerWaalsContact O-CB 3.23Å; M296-S336 WeakPolarHBondContact O-CB 3.46Å; N297-S336 WeakPolarHBondContact CA-OG 3.48Å; N297-S336 PolarHBondContact OD1-OG 2.64Å; F298-S336 PolarHBondContact N-OG 3.04Å; F298-S336 PolarHBondContact O-N 3.03Å
337G96.5Very high96.6Very high27 Ų2757.4 Ų57.428%0.27827%0.271SS..EExtended strand (participates in β ladder)trans-88.3-127.815200000109V91 N92 Y339V91-G337 PolarHBondContact O-N 3Å; N92-G337 WeakPolarHBondContact OD1-CA 3.34Å; G337-Y339 PolarHBondContact O-N 3.29Å; G337-Y339 VanDerWaalsContact O-N 3.13Å
338L96.2Very high96.6Very high107 Ų10758.8 Ų58.856%0.5628%0.275SS*.EExtended strand (participates in β ladder)trans-75.794.2168-172.467.8000109.5N92 L93 E340N92-L338 CarbonylContact C-O 3.59Å; N92-L338 VanDerWaalsContact CA-O 3.28Å; N92-L338 WeakPolarHBondContact CA-O 3.47Å; N92-L338 PolarHBondContact OD1-N 3.46Å; L93-L338 PolarHBondContact N-O 3.29Å; L93-L338 VanDerWaalsContact O-O 3.09Å; L338-E340 VanDerWaalsContact CD1-CD 3.48Å; L338-E340 HydrophobicContact CD1-CG 3.93Å; L338-E340 WeakPolarHBondContact CD1-OE1 3.19Å; L338-E340 HydrophobicContact CG-CG 4.12Å
339Y98.1Very high96.5Very high3 Ų357.7 Ų57.71%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-112.396-176.8-155.7-82.6000110.9V91 L93 F194 S295 M296 F298 G337V91-Y339 HydrophobicContact CB-CD2 4.28Å; V91-Y339 HydrophobicContact CB-CE2 4.31Å; V91-Y339 HydrophobicContact CG1-CD2 4.17Å; V91-Y339 HydrophobicContact CG1-CE2 3.88Å; L93-Y339 HydrophobicContact CB-CD1 4.44Å; L93-Y339 HydrophobicContact CB-CD2 3.62Å; L93-Y339 HydrophobicContact CB-CE1 4.47Å; L93-Y339 HydrophobicContact CB-CE2 3.65Å; L93-Y339 HydrophobicContact CB-CG 4.05Å; L93-Y339 HydrophobicContact CD2-CD1 4.11Å; L93-Y339 HydrophobicContact CD2-CD2 4.35Å; L93-Y339 HydrophobicContact CD2-CE1 3.48Å; L93-Y339 VanDerWaalsContact CD2-CE1 3.48Å; L93-Y339 HydrophobicContact CD2-CE2 3.76Å; L93-Y339 WeakPolarHBondContact CD2-OH 3.34Å; L93-Y339 HydrophobicContact CG-CE2 4.34Å; F194-Y339 HydrophobicContact CB-CE1 4.33Å; F194-Y339 PolarHBondContact N-OH 3.3Å; F194-Y339 PolarHBondContact O-OH 2.62Å; S295-Y339 CarbonylContact C-O 3.3Å; S295-Y339 WeakPolarHBondContact CA-O 3.4Å; M296-Y339 HydrophobicContact CB-CD1 4.05Å; M296-Y339 PolarHBondContact N-O 3.33Å; M296-Y339 WeakPolarHBondContact O-CB 3.4Å; F298-Y339 HydrophobicContact CE1-CD1 4.07Å; F298-Y339 AromaticContact CE1-CD2 3.65Å; F298-Y339 HydrophobicContact CE1-CD2 3.65Å; F298-Y339 HydrophobicContact CE1-CE1 4.22Å; F298-Y339 AromaticContact CE1-CE2 3.83Å; F298-Y339 HydrophobicContact CE1-CE2 3.83Å; F298-Y339 AromaticContact CE1-CG 3.76Å; F298-Y339 HydrophobicContact CE1-CG 3.76Å; F298-Y339 AromaticContact CZ-CD2 3.84Å; F298-Y339 HydrophobicContact CZ-CD2 3.84Å; F298-Y339 AromaticContact CZ-CE2 3.84Å; F298-Y339 HydrophobicContact CZ-CE2 3.84Å; F298-Y339 HydrophobicContact CZ-CG 4.4Å; G337-Y339 PolarHBondContact O-N 3.29Å; G337-Y339 VanDerWaalsContact O-N 3.13Å
340E97.8Very high96.5Very high47 Ų4751.2 Ų51.222%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-128.7142.6-165.3-70.1-170.8157.200113.1L93 L94 M95 P293 I294 L338L93-E340 PolarHBondContact O-N 2.99Å; L94-E340 WeakPolarHBondContact CA-O 3.32Å; L94-E340 HydrophobicContact CD1-CB 4.26Å; M95-E340 PolarHBondContact N-O 2.98Å; P293-E340 HydrophobicContact CB-CB 4.04Å; P293-E340 HydrophobicContact CB-CG 4.47Å; P293-E340 HydrophobicContact CG-CB 4.35Å; P293-E340 HydrophobicContact CG-CG 4.37Å; I294-E340 CarbonylContact O-C 3.58Å; I294-E340 VanDerWaalsContact O-CA 3.31Å; I294-E340 WeakPolarHBondContact O-CA 3.45Å; L338-E340 VanDerWaalsContact CD1-CD 3.48Å; L338-E340 HydrophobicContact CD1-CG 3.93Å; L338-E340 WeakPolarHBondContact CD1-OE1 3.19Å; L338-E340 HydrophobicContact CG-CG 4.12Å
341T97.3Very high96.4Very high1 Ų149.6 Ų49.61%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-129122.4174.4-56.50000109.4M95 P198 P293 I294M95-T341 HydrophobicContact CB-CG2 4.19Å; M95-T341 HydrophobicContact CE-CG2 3.51Å; M95-T341 WeakPolarHBondContact CE-OG1 3.41Å; M95-T341 HydrophobicContact CG-CG2 4.5Å; P198-T341 HydrophobicContact CG-CG2 4.03Å; P293-T341 CarbonylContact C-O 3.59Å; P293-T341 WeakPolarHBondContact CA-O 3.33Å; I294-T341 PolarHBondContact N-O 3.14Å; I294-T341 PolarHBondContact O-N 2.83Å
342R94.1Very high96.3Very high124 Ų12443.5 Ų43.547%0.46822%0.217SC..  trans-69.4151.3176.8-66.1-179.7176.8175.3-1.3111L94 M95 P97 P198 P293L94-R342 HydrophobicContact CD1-CG 4.23Å; M95-R342 PolarHBondContact O-N 3.07Å; P97-R342 WeakPolarHBondContact CA-O 3.41Å; P97-R342 HydrophobicContact CG-CB 3.92Å; P198-R342 WeakPolarHBondContact CG-O 3.47Å; P293-R342 HydrophobicContact CB-CG 4.48Å
343C85.6Confident96.1Very high37 Ų3742.3 Ų42.325%0.2522%0.217CC..  trans-135.20-176.953.20000113.7P198 V200 R291 P292P198-C343 HydrophobicContact CB-CB 3.83Å; P198-C343 HydrophobicContact CG-CB 4Å; V200-C343 HydrophobicContact CG2-CB 4.18Å; R291-C343 PolarHBondContact NH1-OXT 2.86Å; P292-C343 PolarHBondContact O-SG 2.95Å

Retrieved 343 of 343 residues in 395.9 ms (Link to these results)

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