A0A087YEQ3_POEFO Loading...

Hspb associated protein 1

May play a role in cellular stress response.

AlphaFold DB , UniProt , Accession A0A087YEQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 450 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
1M38.8Very low70Confident243 Ų24394.3 Ų94.3100%1.19757%0.568SS**  0122.30-65.4-176.1-162.500106.5A3M1-A3 PolarHBondContact O-N 3.48Å
2A41.6Very low72.2Confident97 Ų9790.6 Ų90.680%0.80255%0.548SS*.  trans-63.4120.3173.100000107.5V4A2-V4 PolarHBondContact O-N 3.37Å; A2-V4 VanDerWaalsContact O-N 3.08Å
3A47.3Very low74Confident95 Ų9594.2 Ų94.279%0.78556%0.555SS**  trans-61.7113172.700000107M1 T5M1-A3 PolarHBondContact O-N 3.48Å; A3-T5 PolarHBondContact O-N 3.09Å; A3-T5 VanDerWaalsContact O-N 3.09Å
4V53.6Low75.6Confident129 Ų12994.9 Ų94.978%0.78255%0.55SS**  trans-64111.9172.3178.40000105.8A2A2-V4 PolarHBondContact O-N 3.37Å; A2-V4 VanDerWaalsContact O-N 3.08Å
5T59.9Low77Confident116 Ų11688.5 Ų88.571%0.71251%0.513SS*.PPolyproline II helixtrans-57124.8174.5-43.70000107.6A3 I7A3-T5 PolarHBondContact O-N 3.09Å; A3-T5 VanDerWaalsContact O-N 3.09Å; T5-I7 PolarHBondContact O-N 3.35Å; T5-I7 VanDerWaalsContact O-N 3.15Å
6P67.8Low78.2Confident55 Ų5588.2 Ų88.236%0.35750%0.501SS..PPolyproline II helixtrans-56123.9178.4-19.929.1000109.1K8 Q33P6-K8 PolarHBondContact O-N 2.98Å; P6-Q33 HydrophobicContact CB-CB 4.12Å; P6-Q33 HydrophobicContact CG-CB 4.4Å
7I82.3Confident79.2Confident159 Ų15989.5 Ų89.582%0.81550%0.496SS*.PPolyproline II helixtrans-69.9120.5176.6-60.1175.7000106.9T5T5-I7 PolarHBondContact O-N 3.35Å; T5-I7 VanDerWaalsContact O-N 3.15Å
8K91.4Very high80.2Confident43 Ų4384.7 Ų84.719%0.18747%0.469CS..PPolyproline II helixtrans-71.1144.1177.9-58.4-64.8177.11370110.3P6 F10 M31 Q33 E131P6-K8 PolarHBondContact O-N 2.98Å; K8-F10 VanDerWaalsContact C-N 3.25Å; K8-F10 PolarHBondContact O-N 2.92Å; K8-M31 HydrophobicContact CB-SD 4.43Å; K8-M31 WeakPolarHBondContact CD-O 3.43Å; K8-M31 PolarHBondContact NZ-O 2.95Å; K8-Q33 WeakPolarHBondContact CE-O 3.49Å; K8-Q33 PolarHBondContact NZ-O 2.92Å; K8-E131 WeakPolarHBondContact CE-OE2 3.48Å; K8-E131 IonicContact NZ-OE1 2.62Å; K8-E131 IonicContact NZ-OE2 3.03Å; K8-E131 PolarHBondContact NZ-OE2 3.07Å
9P94.8Very high81Confident36 Ų3680.6 Ų80.623%0.23445%0.447CS..SBendtrans-56-35.4177.7-31.837.3000115.5N30 M31 H355P9-N30 HydrophobicContact CG-CB 3.96Å; P9-M31 HydrophobicContact CB-SD 4.07Å; P9-M31 HydrophobicContact CG-SD 4.18Å; P9-H355 HydrophobicContact CB-CB 3.57Å; P9-H355 HydrophobicContact CG-CB 3.9Å
10F96.3Very high81.6Confident26 Ų2680.6 Ų80.611%0.11445%0.446CS..SBendtrans-131.3144.7-178.8-54.2-65.5000109.2K8 E14 T15 I18 F28 M31 P351 H355 L356K8-F10 VanDerWaalsContact C-N 3.25Å; K8-F10 PolarHBondContact O-N 2.92Å; F10-E14 WeakPolarHBondContact CA-OE2 3.41Å; F10-E14 HydrophobicContact CB-CB 4.21Å; F10-T15 WeakPolarHBondContact CB-OG1 3.46Å; F10-I18 HydrophobicContact CD1-CD1 3.86Å; F10-I18 HydrophobicContact CD2-CD1 4.2Å; F10-I18 HydrophobicContact CE1-CD1 4.03Å; F10-I18 HydrophobicContact CE2-CD1 4.36Å; F10-I18 HydrophobicContact CG-CD1 3.95Å; F10-I18 HydrophobicContact CZ-CD1 4.28Å; F10-F28 HydrophobicContact CD2-CD1 4.32Å; F10-F28 HydrophobicContact CD2-CE1 4.5Å; F10-F28 HydrophobicContact CE2-CD1 4.39Å; F10-M31 HydrophobicContact CB-CE 4.16Å; F10-M31 HydrophobicContact CB-SD 4.05Å; F10-M31 HydrophobicContact CD2-CG 4.43Å; F10-M31 HydrophobicContact CD2-SD 3.78Å; F10-M31 HydrophobicContact CG-SD 4.36Å; F10-P351 HydrophobicContact CE1-CB 4.27Å; F10-P351 HydrophobicContact CE1-CG 4.05Å; F10-P351 HydrophobicContact CZ-CG 4.42Å; F10-H355 HydrophobicContact CE2-CB 3.86Å; F10-H355 HydrophobicContact CZ-CB 4.05Å; F10-L356 HydrophobicContact CE2-CB 4.1Å; F10-L356 HydrophobicContact CZ-CB 4.07Å
11S96Very high82.2Confident38 Ų3880.1 Ų80.127%0.26644%0.44SS..  trans-68163.3169.192.50000111E13 E14 T15S11-E13 VanDerWaalsContact C-N 3.26Å; S11-E13 WeakPolarHBondContact CB-OE2 3.38Å; S11-E13 PolarHBondContact O-N 3.15Å; S11-E13 PolarHBondContact OG-N 3.34Å; S11-E13 PolarHBondContact OG-OE2 3.17Å; S11-E14 PolarHBondContact N-OE2 3.27Å; S11-E14 PolarHBondContact O-N 3.47Å; S11-E14 PolarHBondContact OG-N 3.38Å; S11-E14 VanDerWaalsContact OG-N 3.11Å; S11-T15 WeakPolarHBondContact O-CB 3.44Å; S11-T15 PolarHBondContact O-N 2.77Å; S11-T15 PolarHBondContact O-OG1 3.29Å
12P96.4Very high84.8Confident50 Ų5068.6 Ų68.633%0.32538%0.383SS..Hα-helixtrans-54.7-40.8171.7-28.137.2000113.3T15 R16 S130 G133P12-T15 PolarHBondContact O-N 3.24Å; P12-R16 WeakPolarHBondContact O-CB 3.04Å; P12-R16 PolarHBondContact O-N 2.89Å; P12-S130 WeakPolarHBondContact CB-O 3.38Å; P12-G133 WeakPolarHBondContact O-CA 3.12Å
13E96.5Very high87.3Confident137 Ų13770.3 Ų70.364%0.6438%0.375SS*.Hα-helixtrans-69.4-42.2179.3-54.877.7-169.600111.7S11 R16 W17S11-E13 VanDerWaalsContact C-N 3.26Å; S11-E13 WeakPolarHBondContact CB-OE2 3.38Å; S11-E13 PolarHBondContact O-N 3.15Å; S11-E13 PolarHBondContact OG-N 3.34Å; S11-E13 PolarHBondContact OG-OE2 3.17Å; E13-R16 PolarHBondContact O-N 3.26Å; E13-W17 WeakPolarHBondContact O-CB 3.19Å; E13-W17 PolarHBondContact O-N 2.82Å
14E96.1Very high89.6Confident104 Ų10471 Ų7149%0.48636%0.362SS..Hα-helixtrans-63.5-43.8174.4-70.5175.8148.700110.9F10 S11 W17 I18F10-E14 WeakPolarHBondContact CA-OE2 3.41Å; F10-E14 HydrophobicContact CB-CB 4.21Å; S11-E14 PolarHBondContact N-OE2 3.27Å; S11-E14 PolarHBondContact O-N 3.47Å; S11-E14 PolarHBondContact OG-N 3.38Å; S11-E14 VanDerWaalsContact OG-N 3.11Å; E14-W17 PolarHBondContact O-N 3.11Å; E14-I18 VanDerWaalsContact O-CG1 3.23Å; E14-I18 WeakPolarHBondContact O-CG1 3.07Å; E14-I18 PolarHBondContact O-N 2.94Å
15T96.6Very high91.8Very high0 Ų064.9 Ų64.90%032%0.324CS..Hα-helixtrans-63.6-43.3178.2-53.40000111F10 S11 P12 W17 I18 L19 F28 M31 F132F10-T15 WeakPolarHBondContact CB-OG1 3.46Å; S11-T15 WeakPolarHBondContact O-CB 3.44Å; S11-T15 PolarHBondContact O-N 2.77Å; S11-T15 PolarHBondContact O-OG1 3.29Å; P12-T15 PolarHBondContact O-N 3.24Å; T15-W17 VanDerWaalsContact C-N 3.35Å; T15-W17 PolarHBondContact O-N 3.26Å; T15-I18 PolarHBondContact O-N 3.33Å; T15-L19 HydrophobicContact CG2-CD1 4.25Å; T15-L19 VanDerWaalsContact O-CG 3.31Å; T15-L19 WeakPolarHBondContact O-CG 3.31Å; T15-L19 PolarHBondContact O-N 3.17Å; T15-F28 HydrophobicContact CG2-CE1 3.95Å; T15-F28 HydrophobicContact CG2-CZ 4.38Å; T15-M31 HydrophobicContact CG2-CE 4.23Å; T15-M31 WeakPolarHBondContact OG1-CE 3.17Å; T15-F132 HydrophobicContact CG2-CB 4.09Å; T15-F132 HydrophobicContact CG2-CD1 3.55Å; T15-F132 HydrophobicContact CG2-CE1 4.16Å; T15-F132 HydrophobicContact CG2-CG 3.95Å
16R95.7Very high93.6Very high83 Ų8359.3 Ų59.331%0.31329%0.29SS..Hα-helixtrans-56.7-50.3173.5-177.265-146.5-156.92.8111.2P12 E13 I18 L19 D20P12-R16 WeakPolarHBondContact O-CB 3.04Å; P12-R16 PolarHBondContact O-N 2.89Å; E13-R16 PolarHBondContact O-N 3.26Å; R16-I18 VanDerWaalsContact C-N 3.33Å; R16-I18 PolarHBondContact O-N 3.14Å; R16-L19 PolarHBondContact O-N 2.78Å; R16-D20 IonicContact CZ-OD1 3.63Å; R16-D20 VanDerWaalsContact CZ-OD1 3.26Å; R16-D20 IonicContact NE-OD1 3.69Å; R16-D20 PolarHBondContact NE-OD1 2.73Å; R16-D20 IonicContact NE-OD2 3Å; R16-D20 PolarHBondContact NE-OD2 3.29Å; R16-D20 VanDerWaalsContact NE-OD2 3.17Å; R16-D20 IonicContact NH2-OD1 3.89Å; R16-D20 PolarHBondContact NH2-OD1 2.66Å; R16-D20 IonicContact NH2-OD2 3.3Å; R16-D20 VanDerWaalsContact O-CG 3.3Å; R16-D20 PolarHBondContact O-N 3.22Å
17W95.9Very high95.1Very high111 Ų11157 Ų5742%0.4228%0.275SS..Hα-helixtrans-60.4-42179.3179.188.8000112E13 E14 T15 D20 H21 V348 L350E13-W17 WeakPolarHBondContact O-CB 3.19Å; E13-W17 PolarHBondContact O-N 2.82Å; E14-W17 PolarHBondContact O-N 3.11Å; T15-W17 VanDerWaalsContact C-N 3.35Å; T15-W17 PolarHBondContact O-N 3.26Å; W17-D20 PolarHBondContact O-N 2.98Å; W17-H21 AromaticContact CD1-CE1 3.55Å; W17-H21 AromaticContact CD1-ND1 3.87Å; W17-H21 AromaticContact CD2-ND1 3.97Å; W17-H21 AromaticContact CE2-CE1 3.73Å; W17-H21 AromaticContact CE2-ND1 3.74Å; W17-H21 AromaticContact NE1-CE1 3.23Å; W17-H21 PolarHBondContact NE1-CE1 3.15Å; W17-H21 AromaticContact NE1-ND1 3.67Å; W17-H21 AromaticContact NE1-NE2 3.91Å; W17-H21 PolarHBondContact O-N 2.94Å; W17-H21 PolarHBondContact O-ND1 3.48Å; W17-V348 HydrophobicContact CH2-CG1 3.47Å; W17-V348 VanDerWaalsContact CH2-CG1 3.47Å; W17-V348 HydrophobicContact CZ2-CG1 3.45Å; W17-V348 VanDerWaalsContact CZ2-CG1 3.45Å; W17-L350 HydrophobicContact CZ3-CD2 4.37Å
18I96.8Very high95.9Very high2 Ų249.5 Ų49.51%0.0124%0.236CC..Hα-helixtrans-58.4-50.2175-70.9164.9000110.1F10 E14 T15 R16 D20 H21 L22 F28 L350 P351 L356F10-I18 HydrophobicContact CD1-CD1 3.86Å; F10-I18 HydrophobicContact CD2-CD1 4.2Å; F10-I18 HydrophobicContact CE1-CD1 4.03Å; F10-I18 HydrophobicContact CE2-CD1 4.36Å; F10-I18 HydrophobicContact CG-CD1 3.95Å; F10-I18 HydrophobicContact CZ-CD1 4.28Å; E14-I18 VanDerWaalsContact O-CG1 3.23Å; E14-I18 WeakPolarHBondContact O-CG1 3.07Å; E14-I18 PolarHBondContact O-N 2.94Å; T15-I18 PolarHBondContact O-N 3.33Å; R16-I18 VanDerWaalsContact C-N 3.33Å; R16-I18 PolarHBondContact O-N 3.14Å; I18-D20 VanDerWaalsContact C-N 3.33Å; I18-D20 PolarHBondContact O-N 2.87Å; I18-H21 CarbonylContact O-C 3.55Å; I18-H21 PolarHBondContact O-N 3.44Å; I18-H21 VanDerWaalsContact O-N 3.11Å; I18-L22 HydrophobicContact CG2-CD1 3.48Å; I18-L22 VanDerWaalsContact CG2-CD1 3.48Å; I18-L22 HydrophobicContact CG2-CG 3.9Å; I18-L22 WeakPolarHBondContact O-CB 3.26Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 2.9Å; I18-F28 HydrophobicContact CG2-CE1 4.05Å; I18-F28 HydrophobicContact CG2-CZ 3.77Å; I18-L350 HydrophobicContact CG2-CD2 4.36Å; I18-P351 HydrophobicContact CD1-CG 3.52Å; I18-P351 HydrophobicContact CG1-CG 3.75Å; I18-L356 HydrophobicContact CG2-CD2 3.68Å
19L95.4Very high96.2Very high8 Ų849.1 Ų49.14%0.04224%0.237CC..Hα-helixtrans-61.4-39.8-179.1-69.9171.2000112.4T15 R16 H21 L22 F28 F132 F134 L164 Y231T15-L19 HydrophobicContact CG2-CD1 4.25Å; T15-L19 VanDerWaalsContact O-CG 3.31Å; T15-L19 WeakPolarHBondContact O-CG 3.31Å; T15-L19 PolarHBondContact O-N 3.17Å; R16-L19 PolarHBondContact O-N 2.78Å; L19-H21 PolarHBondContact O-N 3.24Å; L19-L22 HydrophobicContact CD2-CD1 4.35Å; L19-L22 PolarHBondContact O-N 3.42Å; L19-F28 HydrophobicContact CD2-CE2 3.79Å; L19-F28 HydrophobicContact CD2-CZ 3.82Å; L19-F28 HydrophobicContact CG-CZ 4.22Å; L19-F132 HydrophobicContact CD1-CB 4.49Å; L19-F132 HydrophobicContact CD1-CD1 4.28Å; L19-F134 HydrophobicContact CD1-CE2 3.56Å; L19-F134 HydrophobicContact CD1-CZ 3.93Å; L19-L164 HydrophobicContact CD1-CD1 4.38Å; L19-L164 HydrophobicContact CD2-CD2 4.02Å; L19-Y231 HydrophobicContact CD2-CD1 4.34Å; L19-Y231 HydrophobicContact CD2-CD2 3.48Å; L19-Y231 VanDerWaalsContact CD2-CD2 3.48Å; L19-Y231 HydrophobicContact CD2-CE2 3.87Å; L19-Y231 HydrophobicContact CD2-CG 3.72Å
20D92.8Very high96.2Very high80 Ų8050.6 Ų50.643%0.42824%0.242SC..Hα-helixtrans-64.6-21.8177.8-68.6-30.2000112.8R16 W17 I18R16-D20 IonicContact CZ-OD1 3.63Å; R16-D20 VanDerWaalsContact CZ-OD1 3.26Å; R16-D20 IonicContact NE-OD1 3.69Å; R16-D20 PolarHBondContact NE-OD1 2.73Å; R16-D20 IonicContact NE-OD2 3Å; R16-D20 PolarHBondContact NE-OD2 3.29Å; R16-D20 VanDerWaalsContact NE-OD2 3.17Å; R16-D20 IonicContact NH2-OD1 3.89Å; R16-D20 PolarHBondContact NH2-OD1 2.66Å; R16-D20 IonicContact NH2-OD2 3.3Å; R16-D20 VanDerWaalsContact O-CG 3.3Å; R16-D20 PolarHBondContact O-N 3.22Å; W17-D20 PolarHBondContact O-N 2.98Å; I18-D20 VanDerWaalsContact C-N 3.33Å; I18-D20 PolarHBondContact O-N 2.87Å
21H94.7Very high96.2Very high70 Ų7049.4 Ų49.432%0.32424%0.237SC..Hα-helixtrans-109.4-7.6-179.1-63.381.4000113.7W17 I18 L19 Q23 V348 L350W17-H21 AromaticContact CD1-CE1 3.55Å; W17-H21 AromaticContact CD1-ND1 3.87Å; W17-H21 AromaticContact CD2-ND1 3.97Å; W17-H21 AromaticContact CE2-CE1 3.73Å; W17-H21 AromaticContact CE2-ND1 3.74Å; W17-H21 AromaticContact NE1-CE1 3.23Å; W17-H21 PolarHBondContact NE1-CE1 3.15Å; W17-H21 AromaticContact NE1-ND1 3.67Å; W17-H21 AromaticContact NE1-NE2 3.91Å; W17-H21 PolarHBondContact O-N 2.94Å; W17-H21 PolarHBondContact O-ND1 3.48Å; I18-H21 CarbonylContact O-C 3.55Å; I18-H21 PolarHBondContact O-N 3.44Å; I18-H21 VanDerWaalsContact O-N 3.11Å; L19-H21 PolarHBondContact O-N 3.24Å; H21-Q23 PolarHBondContact O-N 3.31Å; H21-V348 HydrophobicContact CB-CG1 4.29Å; H21-L350 HydrophobicContact CB-CD2 3.94Å
22L93.9Very high96.3Very high2 Ų247.7 Ų47.71%0.0123%0.225CC..  trans-76.8113.5176.9-87.7171.2000110.8I18 L19 A26 F28 Y231 L350 F352 L356I18-L22 HydrophobicContact CG2-CD1 3.48Å; I18-L22 VanDerWaalsContact CG2-CD1 3.48Å; I18-L22 HydrophobicContact CG2-CG 3.9Å; I18-L22 WeakPolarHBondContact O-CB 3.26Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 2.9Å; L19-L22 HydrophobicContact CD2-CD1 4.35Å; L19-L22 PolarHBondContact O-N 3.42Å; L22-A26 HydrophobicContact CD1-CB 4.16Å; L22-A26 HydrophobicContact CD2-CB 3.97Å; L22-F28 HydrophobicContact CD1-CE2 4.09Å; L22-F28 HydrophobicContact CD1-CZ 3.94Å; L22-Y231 HydrophobicContact CB-CD1 3.95Å; L22-Y231 HydrophobicContact CB-CE1 3.67Å; L22-Y231 HydrophobicContact CD1-CD1 4.04Å; L22-L350 HydrophobicContact CD2-CD1 3.62Å; L22-L350 HydrophobicContact CG-CD1 4.14Å; L22-L350 HydrophobicContact CG-CD2 4.42Å; L22-F352 HydrophobicContact CD2-CE1 3.98Å; L22-F352 HydrophobicContact CD2-CZ 3.78Å; L22-L356 HydrophobicContact CD1-CD1 4.37Å
23Q93.6Very high96.1Very high132 Ų13249.2 Ų49.262%0.61723%0.228SC*.  trans-100.5-8.4176.6-58.1-59-54.200113.3H21 W236H21-Q23 PolarHBondContact O-N 3.31Å; Q23-W236 PolarHBondContact O-NE1 3.3Å; Q23-W236 VanDerWaalsContact O-NE1 3.13Å
24H96.1Very high96Very high110 Ų11045.5 Ų45.551%0.50923%0.227SC..SBendtrans-126.4153.7-177.8-61.376.9000109.7A26 W236H24-A26 PolarHBondContact O-N 3.35Å; H24-W236 HydrophobicContact CB-CZ2 4.16Å; H24-W236 AromaticContact CD2-CH2 3.97Å; H24-W236 AromaticContact CD2-CZ2 3.59Å
25P98.3Very high96.1Very high0 Ų040.7 Ų40.70%020%0.204CC..  trans-59.9138.4177.1-2029.4000111.1L176 L230 Y231 P233 W236 V359P25-L176 HydrophobicContact CB-CD1 4.47Å; P25-L176 HydrophobicContact CB-CD2 4.04Å; P25-L176 HydrophobicContact CG-CB 4.3Å; P25-L176 HydrophobicContact CG-CD2 3.84Å; P25-L176 HydrophobicContact CG-CG 4.49Å; P25-L230 HydrophobicContact CB-CD1 4.38Å; P25-Y231 VanDerWaalsContact CA-O 3.29Å; P25-Y231 WeakPolarHBondContact CA-O 3.31Å; P25-P233 HydrophobicContact CG-CG 4.37Å; P25-W236 VanDerWaalsContact CD-CE2 3.41Å; P25-W236 VanDerWaalsContact CD-CZ3 3.48Å; P25-W236 HydrophobicContact CG-CD2 3.58Å; P25-W236 HydrophobicContact CG-CE3 3.35Å; P25-W236 HydrophobicContact CG-CG 4.22Å; P25-W236 HydrophobicContact CG-CH2 4.04Å; P25-W236 HydrophobicContact CG-CZ2 4.26Å; P25-W236 HydrophobicContact CG-CZ3 3.58Å; P25-V359 HydrophobicContact CB-CB 4.09Å; P25-V359 HydrophobicContact CB-CG2 3.84Å; P25-V359 PolarHBondContact O-N 3.23Å
26A98.4Very high96.1Very high0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-145150.3178.600000110.2L22 H24 Y231 F352 L356 I357L22-A26 HydrophobicContact CD1-CB 4.16Å; L22-A26 HydrophobicContact CD2-CB 3.97Å; H24-A26 PolarHBondContact O-N 3.35Å; A26-Y231 PolarHBondContact N-O 2.74Å; A26-Y231 PolarHBondContact O-N 2.87Å; A26-F352 HydrophobicContact CB-CE1 4.26Å; A26-L356 HydrophobicContact CB-CD1 3.81Å; A26-I357 CarbonylContact C-O 3.59Å; A26-I357 VanDerWaalsContact CA-O 3.26Å; A26-I357 WeakPolarHBondContact CA-O 3.17Å
27V98.8Very high96.2Very high6 Ų638.8 Ų38.84%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-106.2123.7176.5-177.10000109.4L29 V222 L224 Q228 V229 L230 L356 I357 V359V27-L29 HydrophobicContact CG1-CD2 3.74Å; V27-V222 HydrophobicContact CG2-CG1 4.5Å; V27-V222 HydrophobicContact CG2-CG2 3.87Å; V27-L224 HydrophobicContact CG1-CD1 3.91Å; V27-L224 HydrophobicContact CG2-CD1 4.23Å; V27-Q228 HydrophobicContact CG1-CB 3.83Å; V27-Q228 HydrophobicContact CG1-CG 4.33Å; V27-V229 CarbonylContact C-O 3.52Å; V27-V229 WeakPolarHBondContact CA-O 3.42Å; V27-L230 HydrophobicContact CG2-CD1 3.93Å; V27-L356 WeakPolarHBondContact O-CA 3.41Å; V27-I357 PolarHBondContact N-O 3.03Å; V27-I357 PolarHBondContact O-N 3.12Å; V27-V359 HydrophobicContact CG2-CG2 4.2Å
28F98.6Very high96.3Very high1 Ų135.8 Ų35.80%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-85.8126.1169.3-68.2-99.1000109.2F10 T15 I18 L19 L22 M31 F132 V229 H355 L356F10-F28 HydrophobicContact CD2-CD1 4.32Å; F10-F28 HydrophobicContact CD2-CE1 4.5Å; F10-F28 HydrophobicContact CE2-CD1 4.39Å; T15-F28 HydrophobicContact CG2-CE1 3.95Å; T15-F28 HydrophobicContact CG2-CZ 4.38Å; I18-F28 HydrophobicContact CG2-CE1 4.05Å; I18-F28 HydrophobicContact CG2-CZ 3.77Å; L19-F28 HydrophobicContact CD2-CE2 3.79Å; L19-F28 HydrophobicContact CD2-CZ 3.82Å; L19-F28 HydrophobicContact CG-CZ 4.22Å; L22-F28 HydrophobicContact CD1-CE2 4.09Å; L22-F28 HydrophobicContact CD1-CZ 3.94Å; F28-M31 HydrophobicContact CB-CB 4.36Å; F28-M31 HydrophobicContact CB-CG 3.96Å; F28-M31 HydrophobicContact CD1-CG 4.09Å; F28-M31 HydrophobicContact CG-CG 4.48Å; F28-F132 HydrophobicContact CB-CE1 4.08Å; F28-F132 HydrophobicContact CB-CZ 4.09Å; F28-F132 HydrophobicContact CD1-CE1 4.11Å; F28-F132 AromaticContact CD2-CE1 3.88Å; F28-F132 HydrophobicContact CD2-CE1 3.88Å; F28-F132 HydrophobicContact CE2-CE1 4.32Å; F28-F132 AromaticContact CG-CE1 3.76Å; F28-F132 HydrophobicContact CG-CE1 3.76Å; F28-F132 HydrophobicContact CG-CZ 4.27Å; F28-V229 HydrophobicContact CB-CB 4.32Å; F28-V229 PolarHBondContact N-O 3.18Å; F28-V229 PolarHBondContact O-N 3.18Å; F28-V229 VanDerWaalsContact O-N 3.12Å; F28-H355 WeakPolarHBondContact CA-O 3.45Å; F28-L356 HydrophobicContact CD1-CD1 3.9Å; F28-L356 HydrophobicContact CD2-CD1 4.06Å; F28-L356 HydrophobicContact CE1-CD1 3.72Å; F28-L356 HydrophobicContact CE2-CD1 3.87Å; F28-L356 HydrophobicContact CG-CD1 4.07Å; F28-L356 HydrophobicContact CZ-CD1 3.71Å
29L98.1Very high96.4Very high36 Ų3642.1 Ų42.119%0.18822%0.223CC..  trans-105146.9176.6-54.8-176.6000109.8V27 M31 Q228 E354 H355 I357V27-L29 HydrophobicContact CG1-CD2 3.74Å; L29-M31 PolarHBondContact O-N 3.02Å; L29-Q228 HydrophobicContact CD2-CB 4.25Å; L29-Q228 VanDerWaalsContact CD2-CD 3.42Å; L29-Q228 HydrophobicContact CD2-CG 3.49Å; L29-Q228 VanDerWaalsContact CD2-CG 3.49Å; L29-E354 WeakPolarHBondContact CD1-O 3.48Å; L29-H355 PolarHBondContact N-O 2.79Å; L29-I357 HydrophobicContact CD1-CD1 4.46Å; L29-I357 HydrophobicContact CD1-CG1 3.76Å; L29-I357 HydrophobicContact CG-CG1 4.27Å
30N95.8Very high96.5Very high66 Ų6641.8 Ų41.835%0.35322%0.222SC..SBendtrans60.73.9175.4-56.5-43.4000116.5P9 T32 Q33P9-N30 HydrophobicContact CG-CB 3.96Å; N30-T32 VanDerWaalsContact C-N 3.32Å; N30-T32 PolarHBondContact O-N 3.49Å; N30-Q33 HydrophobicContact CB-CG 4.44Å; N30-Q33 WeakPolarHBondContact O-CG 3.25Å; N30-Q33 PolarHBondContact OD1-NE2 2.87Å
31M96.5Very high96.8Very high1 Ų140.4 Ų40.41%0.00522%0.216CC..THydrogen-bonded Turntrans-72.3-20.8178.5-74.4-61.3-67.600113.7K8 P9 F10 T15 F28 L29 F132K8-M31 HydrophobicContact CB-SD 4.43Å; K8-M31 WeakPolarHBondContact CD-O 3.43Å; K8-M31 PolarHBondContact NZ-O 2.95Å; P9-M31 HydrophobicContact CB-SD 4.07Å; P9-M31 HydrophobicContact CG-SD 4.18Å; F10-M31 HydrophobicContact CB-CE 4.16Å; F10-M31 HydrophobicContact CB-SD 4.05Å; F10-M31 HydrophobicContact CD2-CG 4.43Å; F10-M31 HydrophobicContact CD2-SD 3.78Å; F10-M31 HydrophobicContact CG-SD 4.36Å; T15-M31 HydrophobicContact CG2-CE 4.23Å; T15-M31 WeakPolarHBondContact OG1-CE 3.17Å; F28-M31 HydrophobicContact CB-CB 4.36Å; F28-M31 HydrophobicContact CB-CG 3.96Å; F28-M31 HydrophobicContact CD1-CG 4.09Å; F28-M31 HydrophobicContact CG-CG 4.48Å; L29-M31 PolarHBondContact O-N 3.02Å; M31-F132 HydrophobicContact CB-CE2 3.83Å; M31-F132 HydrophobicContact CB-CZ 3.65Å; M31-F132 HydrophobicContact CG-CZ 4.23Å
32T96.8Very high97Very high3 Ų337.1 Ų37.12%0.01820%0.201CC..THydrogen-bonded Turntrans-101.84.9-176.262.40000113.9N30 G34 W35 L38 F132 L166 G227 V229N30-T32 VanDerWaalsContact C-N 3.32Å; N30-T32 PolarHBondContact O-N 3.49Å; T32-G34 PolarHBondContact O-N 3.13Å; T32-W35 HydrophobicContact CG2-CD2 4.11Å; T32-W35 HydrophobicContact CG2-CE3 4.2Å; T32-W35 HydrophobicContact CG2-CH2 4.4Å; T32-W35 HydrophobicContact CG2-CZ2 4.29Å; T32-W35 HydrophobicContact CG2-CZ3 4.36Å; T32-W35 VanDerWaalsContact O-CB 3.28Å; T32-W35 WeakPolarHBondContact O-CB 3.46Å; T32-W35 VanDerWaalsContact O-CD1 3.29Å; T32-W35 VanDerWaalsContact O-CG 3.31Å; T32-W35 PolarHBondContact O-N 3.01Å; T32-L38 VanDerWaalsContact O-CD1 3.25Å; T32-L38 WeakPolarHBondContact O-CD1 3.4Å; T32-F132 HydrophobicContact CG2-CE2 4.42Å; T32-L166 HydrophobicContact CG2-CD1 3.79Å; T32-L166 HydrophobicContact CG2-CD2 4.31Å; T32-G227 PolarHBondContact OG1-O 2.98Å; T32-V229 HydrophobicContact CG2-CG2 3.46Å; T32-V229 VanDerWaalsContact CG2-CG2 3.46Å
33Q93.6Very high97.2Very high82 Ų8243.1 Ų43.138%0.38323%0.229SC..THydrogen-bonded Turntrans-52.5125179.9-71-175.61.900111.5P6 K8 N30 W35P6-Q33 HydrophobicContact CB-CB 4.12Å; P6-Q33 HydrophobicContact CG-CB 4.4Å; K8-Q33 WeakPolarHBondContact CE-O 3.49Å; K8-Q33 PolarHBondContact NZ-O 2.92Å; N30-Q33 HydrophobicContact CB-CG 4.44Å; N30-Q33 WeakPolarHBondContact O-CG 3.25Å; N30-Q33 PolarHBondContact OD1-NE2 2.87Å; Q33-W35 VanDerWaalsContact C-N 3.34Å
34G93.6Very high97.5Very high59 Ų5940.4 Ų40.461%0.60822%0.216SC*.THydrogen-bonded Turntrans80.36.3-177.600000115.6T32 P36T32-G34 PolarHBondContact O-N 3.13Å; G34-P36 WeakPolarHBondContact O-CD 3.4Å
35W97.3Very high97.6Very high2 Ų235.2 Ų35.21%0.00819%0.192CC..  trans-70.7125.3165.4-71.423.5000109.5T32 Q33 V37 L38 V127 K128 W129 E131 F132 L166T32-W35 HydrophobicContact CG2-CD2 4.11Å; T32-W35 HydrophobicContact CG2-CE3 4.2Å; T32-W35 HydrophobicContact CG2-CH2 4.4Å; T32-W35 HydrophobicContact CG2-CZ2 4.29Å; T32-W35 HydrophobicContact CG2-CZ3 4.36Å; T32-W35 VanDerWaalsContact O-CB 3.28Å; T32-W35 WeakPolarHBondContact O-CB 3.46Å; T32-W35 VanDerWaalsContact O-CD1 3.29Å; T32-W35 VanDerWaalsContact O-CG 3.31Å; T32-W35 PolarHBondContact O-N 3.01Å; Q33-W35 VanDerWaalsContact C-N 3.34Å; W35-V37 HydrophobicContact CB-CG1 4.04Å; W35-V37 HydrophobicContact CE3-CG1 3.92Å; W35-V37 PolarHBondContact O-N 3.46Å; W35-L38 HydrophobicContact CB-CG 4.35Å; W35-L38 WeakPolarHBondContact O-CB 3.36Å; W35-L38 PolarHBondContact O-N 3.36Å; W35-L38 VanDerWaalsContact O-N 3.14Å; W35-V127 HydrophobicContact CZ3-CG1 4.03Å; W35-K128 HydrophobicContact CD2-CB 3.97Å; W35-K128 HydrophobicContact CE3-CB 4.44Å; W35-K128 HydrophobicContact CG-CB 4.39Å; W35-K128 HydrophobicContact CG-CD 4.46Å; W35-K128 HydrophobicContact CH2-CB 4.4Å; W35-K128 VanDerWaalsContact CH2-O 3.26Å; W35-K128 WeakPolarHBondContact CH2-O 3.48Å; W35-K128 VanDerWaalsContact CZ2-C 3.44Å; W35-K128 HydrophobicContact CZ2-CB 3.93Å; W35-K128 WeakPolarHBondContact CZ2-O 3.31Å; W35-W129 HydrophobicContact CH2-CD2 4.1Å; W35-W129 AromaticContact CH2-CE3 3.66Å; W35-W129 HydrophobicContact CH2-CE3 3.66Å; W35-W129 AromaticContact CH2-CZ3 3.96Å; W35-W129 HydrophobicContact CH2-CZ3 3.96Å; W35-W129 HydrophobicContact CZ3-CD2 4.32Å; W35-W129 HydrophobicContact CZ3-CE3 4.14Å; W35-W129 HydrophobicContact CZ3-CH2 4.46Å; W35-W129 HydrophobicContact CZ3-CZ3 4.2Å; W35-E131 HydrophobicContact CZ2-CB 4.11Å; W35-E131 PolarHBondContact NE1-OE2 2.86Å; W35-F132 HydrophobicContact CH2-CD2 4Å; W35-F132 HydrophobicContact CH2-CE2 4.12Å; W35-F132 AromaticContact CZ2-CD2 3.92Å; W35-F132 HydrophobicContact CZ2-CD2 3.92Å; W35-F132 AromaticContact CZ2-CE2 4Å; W35-F132 HydrophobicContact CZ2-CE2 4Å; W35-L166 HydrophobicContact CE3-CD2 3.91Å; W35-L166 HydrophobicContact CZ3-CD2 4.12Å
36P97.8Very high97.6Very high44 Ų4435.9 Ų35.929%0.28620%0.197SC..G310 helixtrans-59.5-29.4179.4-2534.1000113.8G34 L38 H39 D126G34-P36 WeakPolarHBondContact O-CD 3.4Å; P36-L38 PolarHBondContact O-N 3.06Å; P36-H39 WeakPolarHBondContact O-CB 3.16Å; P36-H39 PolarHBondContact O-N 3.44Å; P36-D126 HydrophobicContact CB-CB 3.9Å; P36-D126 VanDerWaalsContact CB-OD1 3.29Å; P36-D126 WeakPolarHBondContact CB-OD1 3.29Å; P36-D126 WeakPolarHBondContact CD-O 3.46Å
37V98.3Very high97.5Very high0 Ų038.2 Ų38.20%022%0.221CC..G310 helixtrans-57.6-22.5177.673.70000113W35 H39 W40 D126 V127 L166 V168 V250W35-V37 HydrophobicContact CB-CG1 4.04Å; W35-V37 HydrophobicContact CE3-CG1 3.92Å; W35-V37 PolarHBondContact O-N 3.46Å; V37-H39 PolarHBondContact O-N 3.25Å; V37-W40 HydrophobicContact CB-CD2 4.46Å; V37-W40 HydrophobicContact CG2-CB 4.39Å; V37-W40 HydrophobicContact CG2-CD2 3.65Å; V37-W40 HydrophobicContact CG2-CE3 3.74Å; V37-W40 HydrophobicContact CG2-CG 3.96Å; V37-W40 HydrophobicContact CG2-CZ3 4.25Å; V37-W40 VanDerWaalsContact O-CB 3.25Å; V37-W40 WeakPolarHBondContact O-CB 3.44Å; V37-W40 PolarHBondContact O-N 2.8Å; V37-D126 HydrophobicContact CB-CB 4.19Å; V37-D126 WeakPolarHBondContact CB-O 3.32Å; V37-D126 PolarHBondContact N-O 3.08Å; V37-V127 HydrophobicContact CB-CG2 4.07Å; V37-V127 HydrophobicContact CG1-CG2 4.49Å; V37-V127 HydrophobicContact CG2-CG2 3.84Å; V37-L166 HydrophobicContact CG1-CD2 3.52Å; V37-V168 HydrophobicContact CG2-CG2 4.3Å; V37-V168 VanDerWaalsContact O-CG1 3.23Å; V37-V168 WeakPolarHBondContact O-CG1 3.21Å; V37-V250 HydrophobicContact CG2-CG2 3.98Å
38L98.1Very high97.5Very high47 Ų4738.9 Ų38.925%0.24623%0.226CC..G310 helixtrans-63.1-14.4175.5-62.8179.8000113T32 W35 P36 L166T32-L38 VanDerWaalsContact O-CD1 3.25Å; T32-L38 WeakPolarHBondContact O-CD1 3.4Å; W35-L38 HydrophobicContact CB-CG 4.35Å; W35-L38 WeakPolarHBondContact O-CB 3.36Å; W35-L38 PolarHBondContact O-N 3.36Å; W35-L38 VanDerWaalsContact O-N 3.14Å; P36-L38 PolarHBondContact O-N 3.06Å; L38-L166 HydrophobicContact CD2-CD1 4.09Å; L38-L166 HydrophobicContact CD2-CD2 4.31Å
39H98Very high97.4Very high135 Ų13539 Ų3963%0.62523%0.227SC*.G310 helixtrans-88.6-4.8173.6-60.8-51.8000114P36 V37 T41 H44P36-H39 WeakPolarHBondContact O-CB 3.16Å; P36-H39 PolarHBondContact O-N 3.44Å; V37-H39 PolarHBondContact O-N 3.25Å; H39-T41 PolarHBondContact O-N 3.2Å; H39-H44 WeakPolarHBondContact O-CB 3.39Å
40W98.3Very high97.2Very high1 Ų143.6 Ų43.60%0.00425%0.247CC..  trans-75.359.3-179.1-68.218.4000112.7V37 H44 L45 I113 F117 M123 D126 L144 V168 V248V37-W40 HydrophobicContact CB-CD2 4.46Å; V37-W40 HydrophobicContact CG2-CB 4.39Å; V37-W40 HydrophobicContact CG2-CD2 3.65Å; V37-W40 HydrophobicContact CG2-CE3 3.74Å; V37-W40 HydrophobicContact CG2-CG 3.96Å; V37-W40 HydrophobicContact CG2-CZ3 4.25Å; V37-W40 VanDerWaalsContact O-CB 3.25Å; V37-W40 WeakPolarHBondContact O-CB 3.44Å; V37-W40 PolarHBondContact O-N 2.8Å; W40-H44 AromaticContact CD1-CD2 3.75Å; W40-H44 AromaticContact CD1-NE2 3.88Å; W40-L45 HydrophobicContact CB-CD1 4.3Å; W40-L45 HydrophobicContact CB-CD2 4.1Å; W40-L45 HydrophobicContact CB-CG 4.12Å; W40-L45 HydrophobicContact CD2-CD2 3.98Å; W40-L45 HydrophobicContact CE3-CD2 3.8Å; W40-L45 HydrophobicContact CG-CD2 4.15Å; W40-I113 HydrophobicContact CH2-CD1 4.24Å; W40-I113 HydrophobicContact CH2-CG2 4.2Å; W40-I113 HydrophobicContact CZ3-CD1 3.78Å; W40-I113 HydrophobicContact CZ3-CG1 4.19Å; W40-F117 HydrophobicContact CH2-CD2 4.44Å; W40-F117 HydrophobicContact CH2-CE2 4.14Å; W40-F117 HydrophobicContact CZ3-CE2 4.06Å; W40-M123 HydrophobicContact CD2-CE 4.22Å; W40-M123 VanDerWaalsContact CE2-CE 3.46Å; W40-M123 HydrophobicContact CH2-CB 4.26Å; W40-M123 HydrophobicContact CH2-CE 3.95Å; W40-M123 HydrophobicContact CZ2-CB 3.96Å; W40-M123 HydrophobicContact CZ2-CE 3.32Å; W40-M123 VanDerWaalsContact CZ2-O 3.29Å; W40-M123 WeakPolarHBondContact CZ2-O 3.48Å; W40-M123 HydrophobicContact CZ2-SD 4Å; W40-D126 HydrophobicContact CZ2-CB 3.76Å; W40-D126 PolarHBondContact NE1-OD2 2.79Å; W40-L144 HydrophobicContact CE3-CD1 4.26Å; W40-V168 HydrophobicContact CB-CG1 4.13Å; W40-V168 WeakPolarHBondContact O-CG1 3.35Å; W40-V248 WeakPolarHBondContact O-CG1 3.44Å
41T98.6Very high97.3Very high51 Ų5146.7 Ų46.731%0.31326%0.263SS..  trans-64.3157.7164.565.60000110.2H39 Q43 H44 L45 Q169H39-T41 PolarHBondContact O-N 3.2Å; T41-Q43 PolarHBondContact O-N 2.83Å; T41-Q43 VanDerWaalsContact O-N 3.14Å; T41-H44 WeakPolarHBondContact O-CB 3.36Å; T41-H44 PolarHBondContact O-N 3.38Å; T41-H44 PolarHBondContact OG1-N 3.08Å; T41-H44 VanDerWaalsContact OG1-N 3.17Å; T41-L45 WeakPolarHBondContact O-CG 3.25Å; T41-L45 PolarHBondContact O-N 3.1Å; T41-Q169 VanDerWaalsContact CA-OE1 3.28Å
42A98.6Very high97.3Very high1 Ų149.9 Ų49.91%0.00828%0.276CS..Hα-helixtrans-54.5-33.817400000112.2S46 V80 L84 I146 I246 V248A42-S46 WeakPolarHBondContact O-CB 3.47Å; A42-S46 PolarHBondContact O-N 3.23Å; A42-V80 WeakPolarHBondContact O-CG1 3.46Å; A42-L84 HydrophobicContact CB-CD2 3.9Å; A42-I146 HydrophobicContact CB-CG2 4.38Å; A42-I246 HydrophobicContact CB-CG2 3.76Å; A42-V248 HydrophobicContact CB-CG2 4.33Å
43Q98.5Very high97.3Very high128 Ų12854.2 Ų54.260%0.59830%0.298SS*.Hα-helixtrans-66.3-43.4174.4-173.263.850.100112.4T41 S46 G47T41-Q43 PolarHBondContact O-N 2.83Å; T41-Q43 VanDerWaalsContact O-N 3.14Å; Q43-S46 WeakPolarHBondContact O-CB 3.24Å; Q43-S46 PolarHBondContact O-N 2.88Å; Q43-G47 PolarHBondContact O-N 3.01Å
44H98.4Very high97.5Very high76 Ų7650.7 Ų50.735%0.35228%0.282SS..Hα-helixtrans-64.3-48.1175.7179.478.7000110.9H39 W40 T41 S46 G47 C48H39-H44 WeakPolarHBondContact O-CB 3.39Å; W40-H44 AromaticContact CD1-CD2 3.75Å; W40-H44 AromaticContact CD1-NE2 3.88Å; T41-H44 WeakPolarHBondContact O-CB 3.36Å; T41-H44 PolarHBondContact O-N 3.38Å; T41-H44 PolarHBondContact OG1-N 3.08Å; T41-H44 VanDerWaalsContact OG1-N 3.17Å; H44-S46 VanDerWaalsContact C-N 3.26Å; H44-S46 PolarHBondContact O-N 3.33Å; H44-G47 WeakPolarHBondContact O-CA 3.43Å; H44-G47 PolarHBondContact O-N 2.81Å; H44-C48 PolarHBondContact NE2-SG 2.82Å; H44-C48 VanDerWaalsContact NE2-SG 3.42Å; H44-C48 PolarHBondContact O-N 2.98Å; H44-C48 PolarHBondContact O-SG 3.03Å; H44-C48 VanDerWaalsContact O-SG 3.4Å
45L98.4Very high97.7Very high0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-60.1-35177.8-69.9167.5000112.4W40 T41 G47 C48 L49 F117 L144 I146 V248W40-L45 HydrophobicContact CB-CD1 4.3Å; W40-L45 HydrophobicContact CB-CD2 4.1Å; W40-L45 HydrophobicContact CB-CG 4.12Å; W40-L45 HydrophobicContact CD2-CD2 3.98Å; W40-L45 HydrophobicContact CE3-CD2 3.8Å; W40-L45 HydrophobicContact CG-CD2 4.15Å; T41-L45 WeakPolarHBondContact O-CG 3.25Å; T41-L45 PolarHBondContact O-N 3.1Å; L45-G47 VanDerWaalsContact C-N 3.27Å; L45-G47 PolarHBondContact O-N 3.06Å; L45-C48 PolarHBondContact O-N 2.97Å; L45-L49 WeakPolarHBondContact O-CB 3.12Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.09Å; L45-F117 HydrophobicContact CD2-CZ 3.87Å; L45-L144 HydrophobicContact CD1-CD1 4.15Å; L45-L144 HydrophobicContact CD1-CD2 4.07Å; L45-L144 HydrophobicContact CD2-CD2 4.09Å; L45-I146 HydrophobicContact CD1-CD1 3.91Å; L45-I146 HydrophobicContact CD1-CG1 4.3Å; L45-V248 HydrophobicContact CD1-CG1 3.94Å; L45-V248 HydrophobicContact CD1-CG2 4.25Å
46S98.3Very high97.7Very high15 Ų1552.6 Ų52.611%0.10527%0.27CS..Hα-helixtrans-60.3-35.4171.1-174.20000113A42 Q43 H44 Q50 A81A42-S46 WeakPolarHBondContact O-CB 3.47Å; A42-S46 PolarHBondContact O-N 3.23Å; Q43-S46 WeakPolarHBondContact O-CB 3.24Å; Q43-S46 PolarHBondContact O-N 2.88Å; H44-S46 VanDerWaalsContact C-N 3.26Å; H44-S46 PolarHBondContact O-N 3.33Å; S46-Q50 WeakPolarHBondContact O-CA 3.46Å; S46-Q50 PolarHBondContact O-N 2.88Å; S46-A81 WeakPolarHBondContact OG-CA 3.41Å; S46-A81 WeakPolarHBondContact OG-CB 3.24Å; S46-A81 PolarHBondContact OG-N 3.41Å
47G97.8Very high97.8Very high49 Ų4950.5 Ų50.551%0.50526%0.257SS..Hα-helixtrans-72.5-38.9174.700000112.7Q43 H44 L45 Q50Q43-G47 PolarHBondContact O-N 3.01Å; H44-G47 WeakPolarHBondContact O-CA 3.43Å; H44-G47 PolarHBondContact O-N 2.81Å; L45-G47 VanDerWaalsContact C-N 3.27Å; L45-G47 PolarHBondContact O-N 3.06Å; G47-Q50 WeakPolarHBondContact O-CG 3.32Å
48C97.1Very high97.8Very high20 Ų2050.5 Ų50.514%0.13526%0.257CS..Hα-helixtrans-72.7-40.5-179.9-58.30000112.8H44 L45 F117 Q120 M123H44-C48 PolarHBondContact NE2-SG 2.82Å; H44-C48 VanDerWaalsContact NE2-SG 3.42Å; H44-C48 PolarHBondContact O-N 2.98Å; H44-C48 PolarHBondContact O-SG 3.03Å; H44-C48 VanDerWaalsContact O-SG 3.4Å; L45-C48 PolarHBondContact O-N 2.97Å; C48-F117 HydrophobicContact CB-CE1 3.84Å; C48-Q120 PolarHBondContact O-NE2 2.81Å; C48-M123 HydrophobicContact CB-CE 4.07Å
49L96.7Very high97.7Very high4 Ų448.3 Ų48.32%0.02125%0.246CC..Hα-helixtrans-87.1-19.8-178.1-66.8169.6000112.9L45 D51 R52 V80 L116 F117L45-L49 WeakPolarHBondContact O-CB 3.12Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.09Å; L49-D51 PolarHBondContact O-N 2.84Å; L49-R52 HydrophobicContact CB-CB 4.43Å; L49-R52 WeakPolarHBondContact O-CB 3.37Å; L49-R52 PolarHBondContact O-N 3.27Å; L49-V80 HydrophobicContact CD1-CG2 3.83Å; L49-L116 HydrophobicContact CD2-CB 4.35Å; L49-L116 HydrophobicContact CD2-CD2 4.48Å; L49-L116 WeakPolarHBondContact CD2-O 3.47Å; L49-F117 HydrophobicContact CD1-CZ 4.31Å; L49-F117 HydrophobicContact CD2-CD1 4.14Å; L49-F117 HydrophobicContact CD2-CE1 3.53Å; L49-F117 HydrophobicContact CD2-CE2 4.43Å; L49-F117 HydrophobicContact CD2-CZ 3.72Å; L49-F117 HydrophobicContact CG-CE1 3.87Å; L49-F117 HydrophobicContact CG-CZ 3.92Å
50Q95.6Very high97.6Very high131 Ų13147.7 Ų47.761%0.61224%0.238SC*.THydrogen-bonded Turntrans51.1-124.1177.5-56.3179.8-7.600111.6S46 G47 R52S46-Q50 WeakPolarHBondContact O-CA 3.46Å; S46-Q50 PolarHBondContact O-N 2.88Å; G47-Q50 WeakPolarHBondContact O-CG 3.32Å; Q50-R52 VanDerWaalsContact C-N 3.28Å; Q50-R52 PolarHBondContact O-N 3.46Å
51D96.1Very high97.4Very high131 Ų13152.2 Ų52.270%0.70126%0.258SS*.THydrogen-bonded Turntrans-83.81.8-178.4-63.1-45.9000113.7L49 L53L49-D51 PolarHBondContact O-N 2.84Å; D51-L53 PolarHBondContact O-N 3.27Å; D51-L53 VanDerWaalsContact O-N 3.14Å
52R96.6Very high96.9Very high69 Ų6954.2 Ų54.226%0.2626%0.264SS..  trans-59.8119.7179.4-172.8168.5-65.9159.35.3109.8L49 Q50 N79 L116 D119L49-R52 HydrophobicContact CB-CB 4.43Å; L49-R52 WeakPolarHBondContact O-CB 3.37Å; L49-R52 PolarHBondContact O-N 3.27Å; Q50-R52 VanDerWaalsContact C-N 3.28Å; Q50-R52 PolarHBondContact O-N 3.46Å; R52-N79 WeakPolarHBondContact O-CA 3.42Å; R52-N79 WeakPolarHBondContact O-CB 3.38Å; R52-L116 PolarHBondContact NH1-O 3.33Å; R52-D119 IonicContact CZ-OD1 3.26Å; R52-D119 IonicContact CZ-OD2 3.22Å; R52-D119 IonicContact NH1-OD1 2.73Å; R52-D119 PolarHBondContact NH1-OD1 2.88Å; R52-D119 IonicContact NH1-OD2 3.24Å; R52-D119 IonicContact NH2-OD1 3.17Å; R52-D119 PolarHBondContact NH2-OD1 3Å; R52-D119 IonicContact NH2-OD2 3.04Å; R52-D119 PolarHBondContact NH2-OD2 2.91Å
53L97.6Very high96Very high94 Ų9458.6 Ų58.649%0.49230%0.3SS..  trans-74.6135.4174.4-56.6-177.8000109.3D51 E77 N79D51-L53 PolarHBondContact O-N 3.27Å; D51-L53 VanDerWaalsContact O-N 3.14Å; L53-E77 HydrophobicContact CB-CB 4.32Å; L53-E77 HydrophobicContact CD1-CB 4.49Å; L53-N79 HydrophobicContact CD2-CB 4.32Å
54I97.4Very high95.5Very high7 Ų755 Ų554%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-127.4149.5171.267176.5000109F56 A78 V80 A108 L116I54-F56 HydrophobicContact CD1-CE1 4.48Å; I54-F56 HydrophobicContact CD1-CE2 3.91Å; I54-F56 HydrophobicContact CD1-CZ 3.72Å; I54-F56 HydrophobicContact CG1-CD2 4.11Å; I54-F56 HydrophobicContact CG1-CE2 3.42Å; I54-F56 VanDerWaalsContact CG1-CE2 3.42Å; I54-F56 HydrophobicContact CG1-CZ 3.8Å; I54-F56 WeakPolarHBondContact O-CD2 3.43Å; I54-A78 PolarHBondContact N-O 3.4Å; I54-A78 PolarHBondContact O-N 3.42Å; I54-A78 VanDerWaalsContact O-N 3.1Å; I54-A78 VanDerWaalsContact O-O 3.07Å; I54-V80 HydrophobicContact CD1-CG2 3.92Å; I54-A108 HydrophobicContact CD1-CB 3.89Å; I54-L116 HydrophobicContact CG2-CD2 3.57Å
55R97.9Very high95.1Very high101 Ų10154.9 Ų54.938%0.38129%0.289SS..EExtended strand (participates in β ladder)trans-76125.2178.7-171.3176.4179.9-165.6-3.3110.7Y75 I76 K111 P291R55-Y75 HydrophobicContact CG-CD1 4.07Å; R55-Y75 VanDerWaalsContact NH2-CD1 3.33Å; R55-I76 CarbonylContact C-O 3.58Å; R55-I76 WeakPolarHBondContact CA-O 3.44Å; R55-K111 WeakPolarHBondContact O-CE 3.46Å; R55-K111 PolarHBondContact O-NZ 3.47Å; R55-P291 PolarHBondContact NH1-O 2.89Å
56F98.4Very high94.7Very high0 Ų057.1 Ų57.10%031%0.307CS..EExtended strand (participates in β ladder)trans-107.2132.1170.2-70.7-92.7000109.9I54 L58 Y75 I76 A78 F83 F96 A106 A108I54-F56 HydrophobicContact CD1-CE1 4.48Å; I54-F56 HydrophobicContact CD1-CE2 3.91Å; I54-F56 HydrophobicContact CD1-CZ 3.72Å; I54-F56 HydrophobicContact CG1-CD2 4.11Å; I54-F56 HydrophobicContact CG1-CE2 3.42Å; I54-F56 VanDerWaalsContact CG1-CE2 3.42Å; I54-F56 HydrophobicContact CG1-CZ 3.8Å; I54-F56 WeakPolarHBondContact O-CD2 3.43Å; F56-L58 HydrophobicContact CB-CD2 4.33Å; F56-Y75 WeakPolarHBondContact O-CA 3.13Å; F56-I76 HydrophobicContact CB-CG1 4.11Å; F56-I76 PolarHBondContact N-O 2.91Å; F56-I76 PolarHBondContact O-N 2.97Å; F56-A78 HydrophobicContact CD2-CB 4.15Å; F56-A78 HydrophobicContact CE2-CB 4.19Å; F56-F83 AromaticContact CD1-CD2 3.94Å; F56-F83 HydrophobicContact CD1-CD2 3.94Å; F56-F83 HydrophobicContact CD1-CE2 4.37Å; F56-F83 HydrophobicContact CE1-CB 4.03Å; F56-F83 AromaticContact CE1-CD2 3.37Å; F56-F83 HydrophobicContact CE1-CD2 3.37Å; F56-F83 AromaticContact CE1-CE2 3.9Å; F56-F83 HydrophobicContact CE1-CE2 3.9Å; F56-F83 AromaticContact CE1-CG 3.77Å; F56-F83 HydrophobicContact CE1-CG 3.77Å; F56-F83 HydrophobicContact CE2-CB 4.27Å; F56-F83 HydrophobicContact CZ-CB 3.63Å; F56-F83 AromaticContact CZ-CD2 3.91Å; F56-F83 HydrophobicContact CZ-CD2 3.91Å; F56-F83 AromaticContact CZ-CG 3.86Å; F56-F83 HydrophobicContact CZ-CG 3.86Å; F56-F96 HydrophobicContact CB-CZ 4.28Å; F56-F96 HydrophobicContact CD1-CZ 4.23Å; F56-F96 HydrophobicContact CD2-CE2 4.32Å; F56-F96 AromaticContact CD2-CZ 3.95Å; F56-F96 HydrophobicContact CD2-CZ 3.95Å; F56-F96 HydrophobicContact CE2-CE2 4.47Å; F56-F96 HydrophobicContact CE2-CZ 4.32Å; F56-F96 AromaticContact CG-CZ 3.9Å; F56-F96 HydrophobicContact CG-CZ 3.9Å; F56-A106 HydrophobicContact CD1-CB 4.37Å; F56-A108 HydrophobicContact CD1-CB 3.72Å; F56-A108 HydrophobicContact CE1-CB 3.59Å; F56-A108 HydrophobicContact CG-CB 4.4Å; F56-A108 HydrophobicContact CZ-CB 4.17Å
57R98.3Very high94.5Very high0 Ų057.1 Ų57.10%031%0.306CS..EExtended strand (participates in β ladder)trans-83131.5164.7-175.2166.860.3116.8-6.9109.1E70 C73 S74 Y75 W105 A106 Y107 D109 N152R57-E70 IonicContact CZ-OE1 3.74Å; R57-E70 IonicContact NH1-OE1 3.68Å; R57-E70 PolarHBondContact NH1-OE1 2.92Å; R57-E70 IonicContact NH2-OE1 3.8Å; R57-C73 HydrophobicContact CG-CB 3.4Å; R57-C73 VanDerWaalsContact CG-CB 3.4Å; R57-S74 CarbonylContact C-O 3.6Å; R57-Y75 HydrophobicContact CB-CD1 4.06Å; R57-Y75 HydrophobicContact CB-CE1 3.71Å; R57-Y75 WeakPolarHBondContact CD-OH 3.42Å; R57-Y75 HydrophobicContact CG-CD1 4.38Å; R57-Y75 HydrophobicContact CG-CE1 3.78Å; R57-W105 HydrophobicContact CG-CH2 4.24Å; R57-W105 HydrophobicContact CG-CZ3 4.28Å; R57-A106 CarbonylContact O-C 3.57Å; R57-A106 WeakPolarHBondContact O-CA 3.39Å; R57-Y107 PolarHBondContact N-O 3.16Å; R57-Y107 PolarHBondContact O-N 2.89Å; R57-D109 IonicContact CZ-OD2 2.92Å; R57-D109 IonicContact NE-OD2 3.92Å; R57-D109 PolarHBondContact NE-OD2 3.11Å; R57-D109 IonicContact NH2-OD2 3.67Å; R57-D109 PolarHBondContact NH2-OD2 2.82Å; R57-N152 PolarHBondContact NH2-O 2.76Å
58L98.3Very high94.3Very high1 Ų156.8 Ų56.81%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-116.4123.9178.8-53.2-175.1000109.4F56 C73 S74 I76 F96 Y99 Y104 W105 A106F56-L58 HydrophobicContact CB-CD2 4.33Å; L58-C73 WeakPolarHBondContact O-CB 3.33Å; L58-S74 PolarHBondContact N-O 3.27Å; L58-S74 PolarHBondContact O-N 2.82Å; L58-I76 HydrophobicContact CD1-CD1 3.98Å; L58-I76 HydrophobicContact CD1-CG1 4.04Å; L58-I76 HydrophobicContact CD1-CG2 4.09Å; L58-I76 HydrophobicContact CG-CG1 4.33Å; L58-F96 HydrophobicContact CD2-CD1 4.37Å; L58-F96 HydrophobicContact CD2-CE1 3.81Å; L58-Y99 HydrophobicContact CB-CD1 4.48Å; L58-Y99 HydrophobicContact CD1-CD1 3.62Å; L58-Y99 HydrophobicContact CD1-CD2 3.42Å; L58-Y99 VanDerWaalsContact CD1-CD2 3.42Å; L58-Y99 HydrophobicContact CD1-CE1 4.1Å; L58-Y99 HydrophobicContact CD1-CE2 3.95Å; L58-Y99 HydrophobicContact CD1-CG 3.25Å; L58-Y104 HydrophobicContact CB-CD1 4.36Å; L58-W105 WeakPolarHBondContact CA-O 3.5Å; L58-A106 HydrophobicContact CD2-CB 3.37Å
59G97.3Very high94.1Very high1 Ų157.2 Ų57.21%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-120.1144.2174.300000111.3Y104 W105G59-Y104 CarbonylContact O-C 3.54Å; G59-Y104 VanDerWaalsContact O-CA 3.31Å; G59-Y104 WeakPolarHBondContact O-CA 3.3Å; G59-W105 VanDerWaalsContact CA-CZ2 3.46Å; G59-W105 PolarHBondContact N-O 3.16Å; G59-W105 VanDerWaalsContact O-CD1 3.25Å; G59-W105 PolarHBondContact O-N 3.18Å; G59-W105 PolarHBondContact O-NE1 2.97Å
60R95.8Very high93.9Very high122 Ų12257 Ų5746%0.4629%0.291SS..EExtended strand (participates in β ladder)trans-74.7139.4-179.9-151.6172.5175.5-157.8-5.9110E62 Y104R60-E62 HydrophobicContact CB-CG 4.1Å; R60-E62 VanDerWaalsContact CD-OE1 3.26Å; R60-E62 WeakPolarHBondContact CD-OE1 3.45Å; R60-E62 HydrophobicContact CG-CG 3.82Å; R60-E62 IonicContact CZ-OE1 3.06Å; R60-E62 IonicContact NE-OE1 3.24Å; R60-E62 PolarHBondContact NE-OE1 2.88Å; R60-E62 IonicContact NH1-OE1 3.79Å; R60-E62 PolarHBondContact NH1-OE1 3.1Å; R60-E62 IonicContact NH2-OE1 2.84Å; R60-E62 PolarHBondContact O-N 2.69Å; R60-Y104 HydrophobicContact CB-CD1 4.25Å; R60-Y104 HydrophobicContact CB-CE1 3.93Å; R60-Y104 HydrophobicContact CG-CD1 4.43Å; R60-Y104 HydrophobicContact CG-CE1 3.98Å
61K94Very high93.7Very high95 Ų9552.7 Ų52.741%0.41327%0.274SS..  trans-79.166.6177-68.4172.4172.1169.20109.7C101 E103 Y104K61-C101 PolarHBondContact NZ-O 2.77Å; K61-E103 WeakPolarHBondContact CB-O 3.44Å; K61-E103 PolarHBondContact N-O 3.1Å; K61-Y104 WeakPolarHBondContact CE-O 3.22Å; K61-Y104 PolarHBondContact NZ-O 2.89Å
62E86.9Confident93.5Very high94 Ų9452.2 Ų52.244%0.43927%0.268SS..  trans-111.2144.4-178.6-69.6-170.9158.100112.9R60 T64 R205R60-E62 HydrophobicContact CB-CG 4.1Å; R60-E62 VanDerWaalsContact CD-OE1 3.26Å; R60-E62 WeakPolarHBondContact CD-OE1 3.45Å; R60-E62 HydrophobicContact CG-CG 3.82Å; R60-E62 IonicContact CZ-OE1 3.06Å; R60-E62 IonicContact NE-OE1 3.24Å; R60-E62 PolarHBondContact NE-OE1 2.88Å; R60-E62 IonicContact NH1-OE1 3.79Å; R60-E62 PolarHBondContact NH1-OE1 3.1Å; R60-E62 IonicContact NH2-OE1 2.84Å; R60-E62 PolarHBondContact O-N 2.69Å; E62-T64 HydrophobicContact CB-CG2 4.26Å; E62-T64 PolarHBondContact O-N 3Å; E62-T64 VanDerWaalsContact O-N 3.1Å; E62-R205 PolarHBondContact O-NH2 3.16Å
63A81.2Confident93.4Very high93 Ų9349.6 Ų49.677%0.76926%0.26SS*.  trans-83.477.5174.900000111.5R205A63-R205 VanDerWaalsContact CB-NH1 3.29Å; A63-R205 PolarHBondContact O-NH1 2.99Å
64T87.2Confident93.4Very high53 Ų5347.1 Ų47.133%0.32525%0.251SS..  trans-92.4158.1171.564.40000114.8E62 A66 H202 R205E62-T64 HydrophobicContact CB-CG2 4.26Å; E62-T64 PolarHBondContact O-N 3Å; E62-T64 VanDerWaalsContact O-N 3.1Å; T64-A66 VanDerWaalsContact C-N 3.34Å; T64-A66 PolarHBondContact OG1-O 2.78Å; T64-H202 PolarHBondContact O-CD2 2.8Å; T64-H202 VanDerWaalsContact O-CD2 3.27Å; T64-R205 VanDerWaalsContact N-NH2 3.11Å; T64-R205 PolarHBondContact O-NH1 3.34Å; T64-R205 PolarHBondContact O-NH2 2.97Å
65N89.3Confident93.4Very high73 Ų7349.6 Ų49.639%0.3926%0.26SS..SBendtrans-98.314.5169.163.5-5.4000112.5D207N65-D207 PolarHBondContact ND2-OD2 3.01Å
66A91.4Very high93.4Very high46 Ų4645.5 Ų45.538%0.3825%0.245SC..SBendtrans-122143179.500000109.5T64 H202T64-A66 VanDerWaalsContact C-N 3.34Å; T64-A66 PolarHBondContact OG1-O 2.78Å; A66-H202 PolarHBondContact O-CD2 3.23Å
67P93Very high93.3Very high15 Ų1551.2 Ų51.210%0.09727%0.272CS..  trans-54.6143.2172-21.332.1000110.7F69 Q72 P154 Q200P67-F69 HydrophobicContact CB-CD1 4.48Å; P67-F69 HydrophobicContact CB-CE1 4.02Å; P67-F69 HydrophobicContact CB-CE2 4.17Å; P67-F69 HydrophobicContact CB-CZ 3.86Å; P67-F69 HydrophobicContact CG-CE2 4.48Å; P67-F69 HydrophobicContact CG-CZ 4.07Å; P67-F69 PolarHBondContact O-N 2.93Å; P67-Q72 PolarHBondContact O-OE1 3.1Å; P67-P154 HydrophobicContact CB-CB 4.47Å; P67-Q200 WeakPolarHBondContact CD-O 3.35Å
68L93.4Very high93.3Very high42 Ų4251.2 Ų51.222%0.2227%0.272CS..  trans-92.594.5170.5178.761.5000108.2Q72 W105 P154L68-Q72 HydrophobicContact CD1-CB 3.8Å; L68-W105 HydrophobicContact CD2-CZ2 3.7Å; L68-P154 VanDerWaalsContact O-CG 3.27Å; L68-P154 WeakPolarHBondContact O-CG 3.4Å
69F93.4Very high93.3Very high29 Ų2952 Ų5213%0.12728%0.276CS..  trans-71.8155.8178.1-65.4-61.7000111.3P67 T71 Q72 C73 P154 P191 F198P67-F69 HydrophobicContact CB-CD1 4.48Å; P67-F69 HydrophobicContact CB-CE1 4.02Å; P67-F69 HydrophobicContact CB-CE2 4.17Å; P67-F69 HydrophobicContact CB-CZ 3.86Å; P67-F69 HydrophobicContact CG-CE2 4.48Å; P67-F69 HydrophobicContact CG-CZ 4.07Å; P67-F69 PolarHBondContact O-N 2.93Å; F69-T71 PolarHBondContact O-N 2.93Å; F69-Q72 WeakPolarHBondContact O-CB 3.48Å; F69-Q72 PolarHBondContact O-N 3.38Å; F69-C73 PolarHBondContact O-SG 2.96Å; F69-P154 HydrophobicContact CD1-CB 4.2Å; F69-P154 HydrophobicContact CD1-CG 4.19Å; F69-P154 HydrophobicContact CE1-CB 4.26Å; F69-P191 HydrophobicContact CB-CG 4.18Å; F69-P191 HydrophobicContact CD1-CG 4.42Å; F69-P191 HydrophobicContact CG-CG 4.3Å; F69-F198 HydrophobicContact CD1-CD1 4.49Å; F69-F198 HydrophobicContact CE1-CB 3.94Å; F69-F198 HydrophobicContact CE1-CD1 4.22Å; F69-F198 HydrophobicContact CE1-CG 4.13Å
70E92.9Very high93.4Very high0 Ų052 Ų520%028%0.276CS..G310 helixtrans-55.3-36.8178.2-72.570.3-151.800112.1R57 Q72 C73 Y75 P154 N290R57-E70 IonicContact CZ-OE1 3.74Å; R57-E70 IonicContact NH1-OE1 3.68Å; R57-E70 PolarHBondContact NH1-OE1 2.92Å; R57-E70 IonicContact NH2-OE1 3.8Å; E70-Q72 PolarHBondContact O-N 3.41Å; E70-Q72 VanDerWaalsContact O-N 3.13Å; E70-C73 WeakPolarHBondContact O-CB 3.45Å; E70-C73 PolarHBondContact O-N 2.97Å; E70-Y75 WeakPolarHBondContact CB-OH 3.31Å; E70-Y75 PolarHBondContact O-OH 2.87Å; E70-P154 VanDerWaalsContact OE1-CD 3.24Å; E70-P154 WeakPolarHBondContact OE1-CD 3.07Å; E70-N290 WeakPolarHBondContact CB-OD1 3.39Å; E70-N290 WeakPolarHBondContact CG-OD1 3.19Å; E70-N290 PolarHBondContact OE2-ND2 2.98Å
71T90.6Very high93.5Very high41 Ų4148 Ų4825%0.25227%0.269SS..G310 helixtrans-61-20176.451.90000114.4F69 P191 A287 L289 P291F69-T71 PolarHBondContact O-N 2.93Å; T71-P191 HydrophobicContact CG2-CB 3.65Å; T71-P191 HydrophobicContact CG2-CG 3.97Å; T71-A287 HydrophobicContact CG2-CB 3.62Å; T71-L289 WeakPolarHBondContact CG2-O 3.47Å; T71-P291 HydrophobicContact CG2-CG 4.25Å
72Q92.1Very high93.7Very high120 Ų12045.5 Ų45.556%0.56126%0.259SS*.G310 helixtrans-99.4-0.8-179.6-59.6172.4-47.600112.5P67 L68 F69 E70P67-Q72 PolarHBondContact O-OE1 3.1Å; L68-Q72 HydrophobicContact CD1-CB 3.8Å; F69-Q72 WeakPolarHBondContact O-CB 3.48Å; F69-Q72 PolarHBondContact O-N 3.38Å; E70-Q72 PolarHBondContact O-N 3.41Å; E70-Q72 VanDerWaalsContact O-N 3.13Å
73C95.2Very high94.3Very high14 Ų1441 Ų4110%0.09524%0.238CC..SBendtrans-91.9157.6-179.6-63.30000111.8R57 L58 F69 E70 Y75R57-C73 HydrophobicContact CG-CB 3.4Å; R57-C73 VanDerWaalsContact CG-CB 3.4Å; L58-C73 WeakPolarHBondContact O-CB 3.33Å; F69-C73 PolarHBondContact O-SG 2.96Å; E70-C73 WeakPolarHBondContact O-CB 3.45Å; E70-C73 PolarHBondContact O-N 2.97Å; C73-Y75 HydrophobicContact CB-CE2 4.36Å
74S96.8Very high95.1Very high43 Ų4337.4 Ų37.430%0.30121%0.205SC..EExtended strand (participates in β ladder)trans-88.5157.5168.5-54.10000110.4R57 L58R57-S74 CarbonylContact C-O 3.6Å; L58-S74 PolarHBondContact N-O 3.27Å; L58-S74 PolarHBondContact O-N 2.82Å
75Y97.4Very high95.7Very high58 Ų5840 Ų4023%0.22721%0.209CC..EExtended strand (participates in β ladder)trans-133.9137.6179.5-65.8-92.3000111R55 F56 R57 E70 C73 P291R55-Y75 HydrophobicContact CG-CD1 4.07Å; R55-Y75 VanDerWaalsContact NH2-CD1 3.33Å; F56-Y75 WeakPolarHBondContact O-CA 3.13Å; R57-Y75 HydrophobicContact CB-CD1 4.06Å; R57-Y75 HydrophobicContact CB-CE1 3.71Å; R57-Y75 WeakPolarHBondContact CD-OH 3.42Å; R57-Y75 HydrophobicContact CG-CD1 4.38Å; R57-Y75 HydrophobicContact CG-CE1 3.78Å; E70-Y75 WeakPolarHBondContact CB-OH 3.31Å; E70-Y75 PolarHBondContact O-OH 2.87Å; C73-Y75 HydrophobicContact CB-CE2 4.36Å; Y75-P291 HydrophobicContact CE2-CB 3.99Å; Y75-P291 HydrophobicContact CE2-CG 4.01Å
76I97.8Very high96.1Very high16 Ų1636.6 Ų36.68%0.08219%0.191CC..EExtended strand (participates in β ladder)trans-134.1157.9174.863.1165.9000110.4R55 F56 L58 A78 F96 Y99R55-I76 CarbonylContact C-O 3.58Å; R55-I76 WeakPolarHBondContact CA-O 3.44Å; F56-I76 HydrophobicContact CB-CG1 4.11Å; F56-I76 PolarHBondContact N-O 2.91Å; F56-I76 PolarHBondContact O-N 2.97Å; L58-I76 HydrophobicContact CD1-CD1 3.98Å; L58-I76 HydrophobicContact CD1-CG1 4.04Å; L58-I76 HydrophobicContact CD1-CG2 4.09Å; L58-I76 HydrophobicContact CG-CG1 4.33Å; I76-A78 HydrophobicContact CD1-CB 4.49Å; I76-F96 HydrophobicContact CD1-CB 4.28Å; I76-F96 HydrophobicContact CD1-CD1 3.44Å; I76-F96 VanDerWaalsContact CD1-CD1 3.44Å; I76-F96 HydrophobicContact CD1-CD2 3.66Å; I76-F96 HydrophobicContact CD1-CE1 3.57Å; I76-F96 HydrophobicContact CD1-CE2 3.78Å; I76-F96 HydrophobicContact CD1-CG 3.49Å; I76-F96 VanDerWaalsContact CD1-CG 3.49Å; I76-F96 HydrophobicContact CD1-CZ 3.72Å; I76-Y99 HydrophobicContact CG2-CD2 4.21Å; I76-Y99 HydrophobicContact CG2-CE2 3.71Å
77E98.1Very high96.4Very high119 Ų11935.8 Ų35.856%0.55618%0.181SC*.EExtended strand (participates in β ladder)trans-102.5131.8164.8-63.7-165.4139.400109.7L53 S95L53-E77 HydrophobicContact CB-CB 4.32Å; L53-E77 HydrophobicContact CD1-CB 4.49Å; E77-S95 PolarHBondContact O-OG 2.91Å
78A98.2Very high96.5Very high0 Ų041.1 Ų41.10%021%0.205CC..EExtended strand (participates in β ladder)trans-156.6157.917800000110I54 F56 I76 Q82 F96I54-A78 PolarHBondContact N-O 3.4Å; I54-A78 PolarHBondContact O-N 3.42Å; I54-A78 VanDerWaalsContact O-N 3.1Å; I54-A78 VanDerWaalsContact O-O 3.07Å; F56-A78 HydrophobicContact CD2-CB 4.15Å; F56-A78 HydrophobicContact CE2-CB 4.19Å; I76-A78 HydrophobicContact CD1-CB 4.49Å; A78-Q82 HydrophobicContact CB-CB 4.25Å; A78-F96 HydrophobicContact CB-CD2 3.82Å; A78-F96 HydrophobicContact CB-CE2 3.39Å; A78-F96 HydrophobicContact CB-CZ 4.36Å
79N98.3Very high96.6Very high17 Ų1745.3 Ų45.39%0.09122%0.223CC..  trans-85.2165.7169.767.538.1000111.4R52 L53 A81 Q82 F83R52-N79 WeakPolarHBondContact O-CA 3.42Å; R52-N79 WeakPolarHBondContact O-CB 3.38Å; L53-N79 HydrophobicContact CD2-CB 4.32Å; N79-A81 VanDerWaalsContact C-N 3.26Å; N79-A81 PolarHBondContact O-N 2.9Å; N79-A81 WeakPolarHBondContact OD1-CB 3.41Å; N79-A81 PolarHBondContact OD1-N 3.3Å; N79-Q82 WeakPolarHBondContact O-CB 3.26Å; N79-Q82 PolarHBondContact O-N 2.62Å; N79-Q82 WeakPolarHBondContact OD1-CG 3.43Å; N79-Q82 PolarHBondContact OD1-N 3.22Å; N79-F83 PolarHBondContact O-N 2.9Å; N79-F83 VanDerWaalsContact O-N 3.1Å
80V98.5Very high96.7Very high1 Ų147.3 Ų47.31%0.00623%0.233CC..Hα-helixtrans-67.5-27.3-176.9-175.60000111.9A42 L49 I54 F83 L84 I146A42-V80 WeakPolarHBondContact O-CG1 3.46Å; L49-V80 HydrophobicContact CD1-CG2 3.83Å; I54-V80 HydrophobicContact CD1-CG2 3.92Å; V80-F83 WeakPolarHBondContact O-CB 3.37Å; V80-F83 PolarHBondContact O-N 3.06Å; V80-L84 HydrophobicContact CG1-CD1 4.39Å; V80-L84 HydrophobicContact CG1-CG 4.45Å; V80-L84 VanDerWaalsContact O-CG 3.32Å; V80-L84 WeakPolarHBondContact O-CG 3.46Å; V80-L84 PolarHBondContact O-N 3.39Å; V80-I146 HydrophobicContact CG2-CD1 4.37Å
81A98.4Very high96.5Very high38 Ų3853.1 Ų53.131%0.31427%0.268SS..Hα-helixtrans-65.4-40.4175.100000111.8S46 N79 L84 R85S46-A81 WeakPolarHBondContact OG-CA 3.41Å; S46-A81 WeakPolarHBondContact OG-CB 3.24Å; S46-A81 PolarHBondContact OG-N 3.41Å; N79-A81 VanDerWaalsContact C-N 3.26Å; N79-A81 PolarHBondContact O-N 2.9Å; N79-A81 WeakPolarHBondContact OD1-CB 3.41Å; N79-A81 PolarHBondContact OD1-N 3.3Å; A81-L84 PolarHBondContact O-N 3.28Å; A81-R85 WeakPolarHBondContact O-CG 3.43Å; A81-R85 PolarHBondContact O-N 3.26Å
82Q98.5Very high96.6Very high43 Ų4357.3 Ų57.320%0.20129%0.289CS..Hα-helixtrans-62.7-47.8171.5-74.7170.5-41.300110.7A78 N79 L84 R85 W86 V93 F96A78-Q82 HydrophobicContact CB-CB 4.25Å; N79-Q82 WeakPolarHBondContact O-CB 3.26Å; N79-Q82 PolarHBondContact O-N 2.62Å; N79-Q82 WeakPolarHBondContact OD1-CG 3.43Å; N79-Q82 PolarHBondContact OD1-N 3.22Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 PolarHBondContact O-N 3.05Å; Q82-R85 PolarHBondContact O-N 3.21Å; Q82-W86 WeakPolarHBondContact O-CB 3.45Å; Q82-W86 PolarHBondContact O-N 3.1Å; Q82-V93 HydrophobicContact CB-CG1 3.76Å; Q82-V93 HydrophobicContact CG-CG1 4.12Å; Q82-V93 WeakPolarHBondContact O-CG1 3.35Å; Q82-F96 HydrophobicContact CB-CD2 4.42Å
83F98.6Very high96.7Very high0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-52.9-47.5174.1168.7-95.8000112.1F56 N79 V80 R85 W86 T87 F96 A106 I146 T148 I246F56-F83 AromaticContact CD1-CD2 3.94Å; F56-F83 HydrophobicContact CD1-CD2 3.94Å; F56-F83 HydrophobicContact CD1-CE2 4.37Å; F56-F83 HydrophobicContact CE1-CB 4.03Å; F56-F83 AromaticContact CE1-CD2 3.37Å; F56-F83 HydrophobicContact CE1-CD2 3.37Å; F56-F83 AromaticContact CE1-CE2 3.9Å; F56-F83 HydrophobicContact CE1-CE2 3.9Å; F56-F83 AromaticContact CE1-CG 3.77Å; F56-F83 HydrophobicContact CE1-CG 3.77Å; F56-F83 HydrophobicContact CE2-CB 4.27Å; F56-F83 HydrophobicContact CZ-CB 3.63Å; F56-F83 AromaticContact CZ-CD2 3.91Å; F56-F83 HydrophobicContact CZ-CD2 3.91Å; F56-F83 AromaticContact CZ-CG 3.86Å; F56-F83 HydrophobicContact CZ-CG 3.86Å; N79-F83 PolarHBondContact O-N 2.9Å; N79-F83 VanDerWaalsContact O-N 3.1Å; V80-F83 WeakPolarHBondContact O-CB 3.37Å; V80-F83 PolarHBondContact O-N 3.06Å; F83-R85 PolarHBondContact O-N 3.3Å; F83-W86 HydrophobicContact CD2-CE3 4.42Å; F83-W86 WeakPolarHBondContact O-CB 3.44Å; F83-W86 PolarHBondContact O-N 3.38Å; F83-T87 HydrophobicContact CD1-CG2 4.38Å; F83-T87 HydrophobicContact CE1-CG2 4.03Å; F83-T87 HydrophobicContact CE2-CG2 4.19Å; F83-T87 HydrophobicContact CZ-CG2 3.93Å; F83-T87 VanDerWaalsContact O-CG2 3.29Å; F83-T87 WeakPolarHBondContact O-CG2 3.21Å; F83-T87 PolarHBondContact O-N 3.21Å; F83-F96 HydrophobicContact CB-CE2 4.12Å; F83-F96 HydrophobicContact CB-CZ 4.18Å; F83-F96 HydrophobicContact CD2-CZ 4.06Å; F83-A106 HydrophobicContact CD2-CB 4.31Å; F83-A106 HydrophobicContact CE2-CB 4.05Å; F83-I146 HydrophobicContact CD1-CG2 4.42Å; F83-I146 HydrophobicContact CE1-CG2 3.78Å; F83-I146 HydrophobicContact CZ-CG2 3.99Å; F83-T148 HydrophobicContact CE2-CG2 3.6Å; F83-T148 HydrophobicContact CZ-CG2 3.59Å; F83-I246 HydrophobicContact CE1-CG2 4.3Å
84L98.6Very high96.8Very high17 Ų1753 Ų539%0.08928%0.279CS..Hα-helixtrans-61.8-45178.2-71167.6000112.5A42 V80 A81 Q82 W86 T87 Q88 I246A42-L84 HydrophobicContact CB-CD2 3.9Å; V80-L84 HydrophobicContact CG1-CD1 4.39Å; V80-L84 HydrophobicContact CG1-CG 4.45Å; V80-L84 VanDerWaalsContact O-CG 3.32Å; V80-L84 WeakPolarHBondContact O-CG 3.46Å; V80-L84 PolarHBondContact O-N 3.39Å; A81-L84 PolarHBondContact O-N 3.28Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 PolarHBondContact O-N 3.05Å; L84-W86 VanDerWaalsContact C-N 3.31Å; L84-W86 PolarHBondContact O-N 3.46Å; L84-T87 PolarHBondContact O-N 3.33Å; L84-T87 PolarHBondContact O-OG1 3.45Å; L84-Q88 WeakPolarHBondContact O-CG 3.36Å; L84-Q88 PolarHBondContact O-N 3.15Å; L84-I246 HydrophobicContact CD2-CD1 3.87Å
85R98.3Very high96.7Very high107 Ų10753.6 Ų53.640%0.40428%0.283SS..Hα-helixtrans-61.3-40.7175.5-73.617559.3-159.2-10.9112A81 Q82 F83 Q88 Q90 D92 V93A81-R85 WeakPolarHBondContact O-CG 3.43Å; A81-R85 PolarHBondContact O-N 3.26Å; Q82-R85 PolarHBondContact O-N 3.21Å; F83-R85 PolarHBondContact O-N 3.3Å; R85-Q88 WeakPolarHBondContact O-CB 3.45Å; R85-Q88 PolarHBondContact O-N 3Å; R85-Q90 VanDerWaalsContact NH2-OE1 3.12Å; R85-Q90 WeakPolarHBondContact O-CB 3.43Å; R85-Q90 WeakPolarHBondContact O-CG 3.03Å; R85-Q90 PolarHBondContact O-N 2.95Å; R85-D92 PolarHBondContact NH2-O 3.37Å; R85-D92 VanDerWaalsContact NH2-O 3.11Å; R85-V93 HydrophobicContact CB-CG1 4.03Å; R85-V93 HydrophobicContact CB-CG2 4.17Å
86W98.4Very high96.8Very high3 Ų350.9 Ų50.91%0.01127%0.273CS..Hα-helixtrans-63.9-40.8176.8175.476.3000112.2Q82 F83 L84 Q88 H89 V93 F96 Y99 C101 Y104 A106 T148Q82-W86 WeakPolarHBondContact O-CB 3.45Å; Q82-W86 PolarHBondContact O-N 3.1Å; F83-W86 HydrophobicContact CD2-CE3 4.42Å; F83-W86 WeakPolarHBondContact O-CB 3.44Å; F83-W86 PolarHBondContact O-N 3.38Å; L84-W86 VanDerWaalsContact C-N 3.31Å; L84-W86 PolarHBondContact O-N 3.46Å; W86-Q88 PolarHBondContact O-N 2.84Å; W86-Q88 VanDerWaalsContact O-N 3.15Å; W86-H89 PolarHBondContact O-N 3.23Å; W86-V93 HydrophobicContact CB-CB 4.47Å; W86-V93 HydrophobicContact CB-CG1 4.22Å; W86-F96 HydrophobicContact CB-CB 4.1Å; W86-F96 HydrophobicContact CB-CD1 4.24Å; W86-F96 HydrophobicContact CB-CD2 4.27Å; W86-F96 HydrophobicContact CB-CG 3.98Å; W86-F96 VanDerWaalsContact CD1-CB 3.48Å; W86-F96 AromaticContact CD1-CD1 3.84Å; W86-F96 AromaticContact CD1-CG 3.9Å; W86-F96 AromaticContact CD2-CD1 3.52Å; W86-F96 HydrophobicContact CD2-CD1 3.52Å; W86-F96 AromaticContact CD2-CE1 3.83Å; W86-F96 HydrophobicContact CD2-CE1 3.83Å; W86-F96 HydrophobicContact CD2-CG 4.16Å; W86-F96 AromaticContact CE2-CD1 3.64Å; W86-F96 HydrophobicContact CE3-CD1 4.05Å; W86-F96 AromaticContact CE3-CE1 3.85Å; W86-F96 HydrophobicContact CE3-CE1 3.85Å; W86-F96 HydrophobicContact CG-CB 3.79Å; W86-F96 AromaticContact CG-CD1 3.61Å; W86-F96 HydrophobicContact CG-CD1 3.61Å; W86-F96 HydrophobicContact CG-CD2 4.46Å; W86-F96 HydrophobicContact CG-CE1 4.26Å; W86-F96 AromaticContact CG-CG 3.74Å; W86-F96 HydrophobicContact CG-CG 3.74Å; W86-F96 HydrophobicContact CZ2-CD1 4.25Å; W86-F96 HydrophobicContact CZ3-CE1 4.23Å; W86-F96 AromaticContact NE1-CD1 3.78Å; W86-Y99 PolarHBondContact NE1-O 3.35Å; W86-C101 HydrophobicContact CD2-CB 3.99Å; W86-C101 HydrophobicContact CE3-CB 4.49Å; W86-C101 HydrophobicContact CG-CB 4.46Å; W86-C101 HydrophobicContact CH2-CB 4.27Å; W86-C101 VanDerWaalsContact CZ2-CA 3.44Å; W86-C101 HydrophobicContact CZ2-CB 3.76Å; W86-C101 WeakPolarHBondContact O-CB 3.49Å; W86-Y104 WeakPolarHBondContact CH2-O 3.29Å; W86-A106 HydrophobicContact CE3-CB 4.25Å; W86-A106 HydrophobicContact CH2-CB 3.62Å; W86-A106 HydrophobicContact CZ3-CB 3.39Å; W86-T148 HydrophobicContact CE3-CG2 4.5Å; W86-T148 HydrophobicContact CZ3-CG2 3.75Å
87T97.3Very high96.7Very high28 Ų2852.4 Ų52.417%0.17229%0.285CS..Hα-helixtrans-62.9-19.6174.964.20000113.7F83 L84 H89 T148 I246F83-T87 HydrophobicContact CD1-CG2 4.38Å; F83-T87 HydrophobicContact CE1-CG2 4.03Å; F83-T87 HydrophobicContact CE2-CG2 4.19Å; F83-T87 HydrophobicContact CZ-CG2 3.93Å; F83-T87 VanDerWaalsContact O-CG2 3.29Å; F83-T87 WeakPolarHBondContact O-CG2 3.21Å; F83-T87 PolarHBondContact O-N 3.21Å; L84-T87 PolarHBondContact O-N 3.33Å; L84-T87 PolarHBondContact O-OG1 3.45Å; T87-H89 PolarHBondContact O-N 3.05Å; T87-T148 HydrophobicContact CG2-CG2 3.57Å; T87-I246 HydrophobicContact CG2-CD1 4.21Å; T87-I246 HydrophobicContact CG2-CG1 4.21Å
88Q96.8Very high96.6Very high128 Ų12853.9 Ų53.960%0.59829%0.292SS*.THydrogen-bonded Turntrans-88.916.4173.6-63.4173.1-3.600112.5L84 R85 W86 Q90L84-Q88 WeakPolarHBondContact O-CG 3.36Å; L84-Q88 PolarHBondContact O-N 3.15Å; R85-Q88 WeakPolarHBondContact O-CB 3.45Å; R85-Q88 PolarHBondContact O-N 3Å; W86-Q88 PolarHBondContact O-N 2.84Å; W86-Q88 VanDerWaalsContact O-N 3.15Å; Q88-Q90 VanDerWaalsContact C-N 3.25Å; Q88-Q90 PolarHBondContact O-N 3.31Å
89H94.8Very high96.6Very high129 Ų12955.7 Ų55.760%0.59730%0.299SS*.THydrogen-bonded Turntrans61.326-179.4-58.9-85.5000114.7W86 T87W86-H89 PolarHBondContact O-N 3.23Å; T87-H89 PolarHBondContact O-N 3.05Å
90Q95.5Very high96.5Very high71 Ų7157.4 Ų57.433%0.33231%0.311SS..  trans-70.8135.3167.7-63.5-176.427.500109.9R85 Q88 V93R85-Q90 VanDerWaalsContact NH2-OE1 3.12Å; R85-Q90 WeakPolarHBondContact O-CB 3.43Å; R85-Q90 WeakPolarHBondContact O-CG 3.03Å; R85-Q90 PolarHBondContact O-N 2.95Å; Q88-Q90 VanDerWaalsContact C-N 3.25Å; Q88-Q90 PolarHBondContact O-N 3.31Å; Q90-V93 HydrophobicContact CB-CG2 3.5Å; Q90-V93 WeakPolarHBondContact O-CG2 3.49Å
91T88.4Confident96.4Very high122 Ų12258.1 Ų58.175%0.74832%0.316SS*.SBendtrans-94.8-18.2-173.454.40000114.3S97T91-S97 WeakPolarHBondContact O-CB 3.42Å; T91-S97 PolarHBondContact O-OG 3.26Å
92D92.8Very high96.2Very high129 Ų12960.1 Ų60.169%0.6933%0.328SS*.  trans-111.778.9179.3-175.226000110.4R85R85-D92 PolarHBondContact NH2-O 3.37Å; R85-D92 VanDerWaalsContact NH2-O 3.11Å
93V95.2Very high96.1Very high1 Ų162.3 Ų62.31%0.00634%0.338CS..  trans-134.162.9-171.3-166.80000110.9Q82 R85 W86 Q90 S95 F96 S97Q82-V93 HydrophobicContact CB-CG1 3.76Å; Q82-V93 HydrophobicContact CG-CG1 4.12Å; Q82-V93 WeakPolarHBondContact O-CG1 3.35Å; R85-V93 HydrophobicContact CB-CG1 4.03Å; R85-V93 HydrophobicContact CB-CG2 4.17Å; W86-V93 HydrophobicContact CB-CB 4.47Å; W86-V93 HydrophobicContact CB-CG1 4.22Å; Q90-V93 HydrophobicContact CB-CG2 3.5Å; Q90-V93 WeakPolarHBondContact O-CG2 3.49Å; V93-S95 PolarHBondContact O-N 3.35Å; V93-F96 HydrophobicContact CB-CB 4.31Å; V93-F96 WeakPolarHBondContact O-CB 3.49Å; V93-F96 PolarHBondContact O-N 3.25Å; V93-S97 PolarHBondContact N-OG 3.49Å
94G95.3Very high96.1Very high43 Ų4364.4 Ų64.444%0.44335%0.346SS..G310 helixtrans54-133176.100000112.3F96 S97G94-F96 PolarHBondContact O-N 2.94Å; G94-F96 VanDerWaalsContact O-N 3.15Å; G94-S97 WeakPolarHBondContact O-CB 3.49Å; G94-S97 PolarHBondContact O-N 3.15Å; G94-S97 VanDerWaalsContact O-N 3.08Å; G94-S97 PolarHBondContact O-OG 2.93Å
95S96.4Very high96.1Very high55 Ų5563.9 Ų63.939%0.38534%0.343SS..G310 helixtrans-61.9-20.6-179.9-42.90000113.9E77 V93 S97E77-S95 PolarHBondContact O-OG 2.91Å; V93-S95 PolarHBondContact O-N 3.35Å; S95-S97 VanDerWaalsContact C-N 3.28Å; S95-S97 PolarHBondContact O-N 2.82Å
96F97.8Very high96.1Very high1 Ų158.8 Ų58.80%0.00432%0.324CS..G310 helixtrans-74.6-15.4176.5-79.2-78.3000113.5F56 L58 I76 A78 Q82 F83 W86 V93 G94 E98 Y99 A106F56-F96 HydrophobicContact CB-CZ 4.28Å; F56-F96 HydrophobicContact CD1-CZ 4.23Å; F56-F96 HydrophobicContact CD2-CE2 4.32Å; F56-F96 AromaticContact CD2-CZ 3.95Å; F56-F96 HydrophobicContact CD2-CZ 3.95Å; F56-F96 HydrophobicContact CE2-CE2 4.47Å; F56-F96 HydrophobicContact CE2-CZ 4.32Å; F56-F96 AromaticContact CG-CZ 3.9Å; F56-F96 HydrophobicContact CG-CZ 3.9Å; L58-F96 HydrophobicContact CD2-CD1 4.37Å; L58-F96 HydrophobicContact CD2-CE1 3.81Å; I76-F96 HydrophobicContact CD1-CB 4.28Å; I76-F96 HydrophobicContact CD1-CD1 3.44Å; I76-F96 VanDerWaalsContact CD1-CD1 3.44Å; I76-F96 HydrophobicContact CD1-CD2 3.66Å; I76-F96 HydrophobicContact CD1-CE1 3.57Å; I76-F96 HydrophobicContact CD1-CE2 3.78Å; I76-F96 HydrophobicContact CD1-CG 3.49Å; I76-F96 VanDerWaalsContact CD1-CG 3.49Å; I76-F96 HydrophobicContact CD1-CZ 3.72Å; A78-F96 HydrophobicContact CB-CD2 3.82Å; A78-F96 HydrophobicContact CB-CE2 3.39Å; A78-F96 HydrophobicContact CB-CZ 4.36Å; Q82-F96 HydrophobicContact CB-CD2 4.42Å; F83-F96 HydrophobicContact CB-CE2 4.12Å; F83-F96 HydrophobicContact CB-CZ 4.18Å; F83-F96 HydrophobicContact CD2-CZ 4.06Å; W86-F96 HydrophobicContact CB-CB 4.1Å; W86-F96 HydrophobicContact CB-CD1 4.24Å; W86-F96 HydrophobicContact CB-CD2 4.27Å; W86-F96 HydrophobicContact CB-CG 3.98Å; W86-F96 VanDerWaalsContact CD1-CB 3.48Å; W86-F96 AromaticContact CD1-CD1 3.84Å; W86-F96 AromaticContact CD1-CG 3.9Å; W86-F96 AromaticContact CD2-CD1 3.52Å; W86-F96 HydrophobicContact CD2-CD1 3.52Å; W86-F96 AromaticContact CD2-CE1 3.83Å; W86-F96 HydrophobicContact CD2-CE1 3.83Å; W86-F96 HydrophobicContact CD2-CG 4.16Å; W86-F96 AromaticContact CE2-CD1 3.64Å; W86-F96 HydrophobicContact CE3-CD1 4.05Å; W86-F96 AromaticContact CE3-CE1 3.85Å; W86-F96 HydrophobicContact CE3-CE1 3.85Å; W86-F96 HydrophobicContact CG-CB 3.79Å; W86-F96 AromaticContact CG-CD1 3.61Å; W86-F96 HydrophobicContact CG-CD1 3.61Å; W86-F96 HydrophobicContact CG-CD2 4.46Å; W86-F96 HydrophobicContact CG-CE1 4.26Å; W86-F96 AromaticContact CG-CG 3.74Å; W86-F96 HydrophobicContact CG-CG 3.74Å; W86-F96 HydrophobicContact CZ2-CD1 4.25Å; W86-F96 HydrophobicContact CZ3-CE1 4.23Å; W86-F96 AromaticContact NE1-CD1 3.78Å; V93-F96 HydrophobicContact CB-CB 4.31Å; V93-F96 WeakPolarHBondContact O-CB 3.49Å; V93-F96 PolarHBondContact O-N 3.25Å; G94-F96 PolarHBondContact O-N 2.94Å; G94-F96 VanDerWaalsContact O-N 3.15Å; F96-E98 PolarHBondContact O-N 3.12Å; F96-E98 VanDerWaalsContact O-N 3.13Å; F96-Y99 CarbonylContact O-C 3.55Å; F96-Y99 PolarHBondContact O-N 3.42Å; F96-A106 HydrophobicContact CE1-CB 3.88Å; F96-A106 HydrophobicContact CZ-CB 4.45Å
97S96.8Very high96.1Very high48 Ų4858.8 Ų58.834%0.33632%0.324SS..G310 helixtrans-59.6-26.6-176.5-60.10000113.3T91 V93 G94 S95 Y99T91-S97 WeakPolarHBondContact O-CB 3.42Å; T91-S97 PolarHBondContact O-OG 3.26Å; V93-S97 PolarHBondContact N-OG 3.49Å; G94-S97 WeakPolarHBondContact O-CB 3.49Å; G94-S97 PolarHBondContact O-N 3.15Å; G94-S97 VanDerWaalsContact O-N 3.08Å; G94-S97 PolarHBondContact O-OG 2.93Å; S95-S97 VanDerWaalsContact C-N 3.28Å; S95-S97 PolarHBondContact O-N 2.82Å; S97-Y99 VanDerWaalsContact C-N 3.28Å; S97-Y99 PolarHBondContact O-N 3.09Å
98E96.4Very high96.1Very high151 Ų15157.5 Ų57.571%0.70632%0.316SS*.G310 helixtrans-78.5-10.7177.6-62.6-179.1169.200113.4F96F96-E98 PolarHBondContact O-N 3.12Å; F96-E98 VanDerWaalsContact O-N 3.13Å
99Y97.4Very high96Very high37 Ų3751.7 Ų51.715%0.14529%0.289CS..SBendtrans-129.486.8-170.6-58-89.1000110.6L58 I76 W86 F96 S97 C101 Y104L58-Y99 HydrophobicContact CB-CD1 4.48Å; L58-Y99 HydrophobicContact CD1-CD1 3.62Å; L58-Y99 HydrophobicContact CD1-CD2 3.42Å; L58-Y99 VanDerWaalsContact CD1-CD2 3.42Å; L58-Y99 HydrophobicContact CD1-CE1 4.1Å; L58-Y99 HydrophobicContact CD1-CE2 3.95Å; L58-Y99 HydrophobicContact CD1-CG 3.25Å; I76-Y99 HydrophobicContact CG2-CD2 4.21Å; I76-Y99 HydrophobicContact CG2-CE2 3.71Å; W86-Y99 PolarHBondContact NE1-O 3.35Å; F96-Y99 CarbonylContact O-C 3.55Å; F96-Y99 PolarHBondContact O-N 3.42Å; S97-Y99 VanDerWaalsContact C-N 3.28Å; S97-Y99 PolarHBondContact O-N 3.09Å; Y99-C101 PolarHBondContact O-N 3.06Å; Y99-Y104 HydrophobicContact CD1-CD1 4.03Å; Y99-Y104 HydrophobicContact CD1-CD2 4.26Å; Y99-Y104 AromaticContact CD1-CE1 3.91Å; Y99-Y104 HydrophobicContact CD1-CE1 3.91Å; Y99-Y104 HydrophobicContact CD1-CE2 4.15Å; Y99-Y104 HydrophobicContact CD1-CG 4.22Å; Y99-Y104 AromaticContact CD1-CZ 3.97Å; Y99-Y104 HydrophobicContact CE1-CE1 4.48Å
100P96.1Very high95.9Very high54 Ų5448.3 Ų48.335%0.35127%0.271SS..  trans-56.8132.2-178.2-25.734.5000112.8S102 E103 Y104P100-S102 PolarHBondContact O-N 2.84Å; P100-E103 PolarHBondContact O-N 2.82Å; P100-Y104 PolarHBondContact O-N 2.68Å
101C95.9Very high96Very high15 Ų1546.4 Ų46.410%0.10126%0.262CS..THydrogen-bonded Turntrans-61.1-19.3179.7-173.30000113.5K61 W86 Y99 E103K61-C101 PolarHBondContact NZ-O 2.77Å; W86-C101 HydrophobicContact CD2-CB 3.99Å; W86-C101 HydrophobicContact CE3-CB 4.49Å; W86-C101 HydrophobicContact CG-CB 4.46Å; W86-C101 HydrophobicContact CH2-CB 4.27Å; W86-C101 VanDerWaalsContact CZ2-CA 3.44Å; W86-C101 HydrophobicContact CZ2-CB 3.76Å; W86-C101 WeakPolarHBondContact O-CB 3.49Å; Y99-C101 PolarHBondContact O-N 3.06Å; C101-E103 VanDerWaalsContact C-N 3.33Å
102S95.1Very high96.4Very high81 Ų8147 Ų4757%0.56625%0.252SS*.THydrogen-bonded Turntrans-70.5-28.5171.547.40000113.1P100P100-S102 PolarHBondContact O-N 2.84Å
103E96.6Very high96.7Very high89 Ų8940.9 Ų40.942%0.41622%0.219SC..THydrogen-bonded Turntrans-106.6-24.6-173.1-66.9-178.4-141.100113.1K61 P100 C101K61-E103 WeakPolarHBondContact CB-O 3.44Å; K61-E103 PolarHBondContact N-O 3.1Å; P100-E103 PolarHBondContact O-N 2.82Å; C101-E103 VanDerWaalsContact C-N 3.33Å
104Y98.1Very high96.7Very high43 Ų4343.7 Ų43.717%0.16924%0.236CC..EExtended strand (participates in β ladder)trans-120.8146.8-177.4-67.4-94000111.7L58 G59 R60 K61 W86 Y99 P100L58-Y104 HydrophobicContact CB-CD1 4.36Å; G59-Y104 CarbonylContact O-C 3.54Å; G59-Y104 VanDerWaalsContact O-CA 3.31Å; G59-Y104 WeakPolarHBondContact O-CA 3.3Å; R60-Y104 HydrophobicContact CB-CD1 4.25Å; R60-Y104 HydrophobicContact CB-CE1 3.93Å; R60-Y104 HydrophobicContact CG-CD1 4.43Å; R60-Y104 HydrophobicContact CG-CE1 3.98Å; K61-Y104 WeakPolarHBondContact CE-O 3.22Å; K61-Y104 PolarHBondContact NZ-O 2.89Å; W86-Y104 WeakPolarHBondContact CH2-O 3.29Å; Y99-Y104 HydrophobicContact CD1-CD1 4.03Å; Y99-Y104 HydrophobicContact CD1-CD2 4.26Å; Y99-Y104 AromaticContact CD1-CE1 3.91Å; Y99-Y104 HydrophobicContact CD1-CE1 3.91Å; Y99-Y104 HydrophobicContact CD1-CE2 4.15Å; Y99-Y104 HydrophobicContact CD1-CG 4.22Å; Y99-Y104 AromaticContact CD1-CZ 3.97Å; Y99-Y104 HydrophobicContact CE1-CE1 4.48Å; P100-Y104 PolarHBondContact O-N 2.68Å
105W98.2Very high96.7Very high6 Ų646.1 Ų46.12%0.02324%0.242CC..EExtended strand (participates in β ladder)trans-96.6159.7158.155.8-104.1000109R57 L58 G59 L68 T148 A151R57-W105 HydrophobicContact CG-CH2 4.24Å; R57-W105 HydrophobicContact CG-CZ3 4.28Å; L58-W105 WeakPolarHBondContact CA-O 3.5Å; G59-W105 VanDerWaalsContact CA-CZ2 3.46Å; G59-W105 PolarHBondContact N-O 3.16Å; G59-W105 VanDerWaalsContact O-CD1 3.25Å; G59-W105 PolarHBondContact O-N 3.18Å; G59-W105 PolarHBondContact O-NE1 2.97Å; L68-W105 HydrophobicContact CD2-CZ2 3.7Å; W105-T148 WeakPolarHBondContact CA-OG1 3.48Å; W105-A151 HydrophobicContact CB-CB 4.41Å; W105-A151 HydrophobicContact CD2-CB 4.15Å; W105-A151 HydrophobicContact CE3-CB 3.75Å; W105-A151 HydrophobicContact CG-CB 4.47Å; W105-A151 HydrophobicContact CZ3-CB 4.39Å
106A98.5Very high96.7Very high0 Ų044.2 Ų44.20%023%0.228CC..EExtended strand (participates in β ladder)trans-128.7142.9176.700000110.5F56 R57 L58 F83 W86 F96 G147 T148F56-A106 HydrophobicContact CD1-CB 4.37Å; R57-A106 CarbonylContact O-C 3.57Å; R57-A106 WeakPolarHBondContact O-CA 3.39Å; L58-A106 HydrophobicContact CD2-CB 3.37Å; F83-A106 HydrophobicContact CD2-CB 4.31Å; F83-A106 HydrophobicContact CE2-CB 4.05Å; W86-A106 HydrophobicContact CE3-CB 4.25Å; W86-A106 HydrophobicContact CH2-CB 3.62Å; W86-A106 HydrophobicContact CZ3-CB 3.39Å; F96-A106 HydrophobicContact CE1-CB 3.88Å; F96-A106 HydrophobicContact CZ-CB 4.45Å; A106-G147 CarbonylContact O-C 3.52Å; A106-G147 VanDerWaalsContact O-CA 3.31Å; A106-G147 WeakPolarHBondContact O-CA 3.42Å; A106-T148 PolarHBondContact N-OG1 3.2Å; A106-T148 PolarHBondContact O-N 3.35Å
107Y98.6Very high96.6Very high4 Ų444.2 Ų44.22%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-143115.5-178.4-157.3-165.6000110.9R57 D109 W145 I146 A151 K172R57-Y107 PolarHBondContact N-O 3.16Å; R57-Y107 PolarHBondContact O-N 2.89Å; Y107-D109 HydrophobicContact CD1-CB 3.97Å; Y107-D109 HydrophobicContact CE1-CB 4.03Å; Y107-D109 HydrophobicContact CG-CB 4.23Å; Y107-D109 PolarHBondContact O-N 3.42Å; Y107-W145 HydrophobicContact CE1-CE3 4.16Å; Y107-W145 HydrophobicContact CE1-CZ3 4.45Å; Y107-W145 HydrophobicContact CE2-CB 4.03Å; Y107-W145 HydrophobicContact CE2-CE3 4.15Å; Y107-W145 AromaticContact CZ-CE3 3.61Å; Y107-W145 VanDerWaalsContact OH-CE3 3.24Å; Y107-I146 CarbonylContact C-O 3.52Å; Y107-I146 WeakPolarHBondContact CA-O 3.44Å; Y107-I146 WeakPolarHBondContact CD2-O 3.25Å; Y107-A151 HydrophobicContact CD1-CB 4.29Å; Y107-A151 HydrophobicContact CD2-CB 4.21Å; Y107-A151 HydrophobicContact CG-CB 3.9Å; Y107-K172 PolarHBondContact OH-NZ 2.87Å
108A98.2Very high96.5Very high0 Ų047.9 Ų47.90%024%0.239CC..EExtended strand (participates in β ladder)trans-87.790.7162.900000107.5I54 F56 K111 W145 I146I54-A108 HydrophobicContact CD1-CB 3.89Å; F56-A108 HydrophobicContact CD1-CB 3.72Å; F56-A108 HydrophobicContact CE1-CB 3.59Å; F56-A108 HydrophobicContact CG-CB 4.4Å; F56-A108 HydrophobicContact CZ-CB 4.17Å; A108-K111 HydrophobicContact CB-CG 4.18Å; A108-W145 VanDerWaalsContact O-CA 3.31Å; A108-W145 WeakPolarHBondContact O-CA 3.38Å; A108-I146 HydrophobicContact CB-CB 4.27Å; A108-I146 PolarHBondContact N-O 3.19Å; A108-I146 PolarHBondContact O-N 3.03Å
109D94.6Very high96.4Very high7 Ų744.5 Ų44.54%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-95.9157.6179.144.57.2000112.4R57 Y107 K111 W145R57-D109 IonicContact CZ-OD2 2.92Å; R57-D109 IonicContact NE-OD2 3.92Å; R57-D109 PolarHBondContact NE-OD2 3.11Å; R57-D109 IonicContact NH2-OD2 3.67Å; R57-D109 PolarHBondContact NH2-OD2 2.82Å; Y107-D109 HydrophobicContact CD1-CB 3.97Å; Y107-D109 HydrophobicContact CE1-CB 4.03Å; Y107-D109 HydrophobicContact CG-CB 4.23Å; Y107-D109 PolarHBondContact O-N 3.42Å; D109-K111 VanDerWaalsContact C-N 3.29Å; D109-K111 WeakPolarHBondContact O-CD 3.28Å; D109-K111 VanDerWaalsContact O-CE 3.29Å; D109-K111 WeakPolarHBondContact O-CE 3.25Å; D109-K111 PolarHBondContact O-N 2.99Å; D109-K111 PolarHBondContact O-NZ 2.83Å; D109-W145 VanDerWaalsContact CA-CE3 3.5Å; D109-W145 HydrophobicContact CB-CE3 3.46Å; D109-W145 VanDerWaalsContact CB-CE3 3.46Å; D109-W145 HydrophobicContact CB-CZ3 3.39Å
110Y93.1Very high96.3Very high57 Ų5745.2 Ų45.222%0.22423%0.231CC..EExtended strand (participates in β ladder)trans51.937.9177.7-57.8-89.6000115Y112 W145 T292Y110-Y112 PolarHBondContact O-N 3.43Å; Y110-Y112 VanDerWaalsContact O-N 3.16Å; Y110-W145 AromaticContact CD1-CH2 3.6Å; Y110-W145 HydrophobicContact CD1-CH2 3.6Å; Y110-W145 HydrophobicContact CD1-CZ2 4.03Å; Y110-W145 HydrophobicContact CD1-CZ3 4.47Å; Y110-W145 AromaticContact CD2-CH2 3.73Å; Y110-W145 HydrophobicContact CD2-CH2 3.73Å; Y110-W145 AromaticContact CD2-CZ3 3.79Å; Y110-W145 HydrophobicContact CD2-CZ3 3.79Å; Y110-W145 AromaticContact CE1-CH2 3.52Å; Y110-W145 HydrophobicContact CE1-CH2 3.52Å; Y110-W145 HydrophobicContact CE1-CZ2 4.18Å; Y110-W145 HydrophobicContact CE1-CZ3 4.45Å; Y110-W145 AromaticContact CE2-CH2 3.59Å; Y110-W145 HydrophobicContact CE2-CH2 3.59Å; Y110-W145 AromaticContact CE2-CZ3 3.72Å; Y110-W145 HydrophobicContact CE2-CZ3 3.72Å; Y110-W145 AromaticContact CG-CH2 3.72Å; Y110-W145 HydrophobicContact CG-CH2 3.72Å; Y110-W145 HydrophobicContact CG-CZ2 4.33Å; Y110-W145 HydrophobicContact CG-CZ3 4.16Å; Y110-W145 AromaticContact CZ-CH2 3.51Å; Y110-T292 HydrophobicContact CD2-CG2 3.97Å; Y110-T292 HydrophobicContact CE2-CG2 4.09Å
111K97.1Very high96.2Very high31 Ų3146.3 Ų46.314%0.13524%0.238CC..EExtended strand (participates in β ladder)trans-85.494.7180-52.9-54.8177.5-128.60111R55 A108 D109 I113 L116 T143 L144R55-K111 WeakPolarHBondContact O-CE 3.46Å; R55-K111 PolarHBondContact O-NZ 3.47Å; A108-K111 HydrophobicContact CB-CG 4.18Å; D109-K111 VanDerWaalsContact C-N 3.29Å; D109-K111 WeakPolarHBondContact O-CD 3.28Å; D109-K111 VanDerWaalsContact O-CE 3.29Å; D109-K111 WeakPolarHBondContact O-CE 3.25Å; D109-K111 PolarHBondContact O-N 2.99Å; D109-K111 PolarHBondContact O-NZ 2.83Å; K111-I113 PolarHBondContact O-N 2.93Å; K111-I113 VanDerWaalsContact O-N 3.1Å; K111-L116 HydrophobicContact CB-CD1 3.45Å; K111-L116 VanDerWaalsContact CB-CD1 3.45Å; K111-L116 HydrophobicContact CB-CG 4.02Å; K111-L116 HydrophobicContact CG-CD1 4.28Å; K111-T143 CarbonylContact O-C 3.46Å; K111-T143 WeakPolarHBondContact O-CA 3.49Å; K111-L144 HydrophobicContact CB-CB 4.28Å; K111-L144 WeakPolarHBondContact CB-O 3.31Å; K111-L144 PolarHBondContact N-O 2.88Å; K111-L144 VanDerWaalsContact N-O 3.14Å; K111-L144 PolarHBondContact O-N 2.81Å
112Y97Very high96.2Very high136 Ų13649.8 Ų49.853%0.53326%0.262SS..EExtended strand (participates in β ladder)trans-53.8116.9174.9-67.6-81.3000111Y110 T114 T115 L116 T143Y110-Y112 PolarHBondContact O-N 3.43Å; Y110-Y112 VanDerWaalsContact O-N 3.16Å; Y112-T114 PolarHBondContact O-N 3.24Å; Y112-T115 PolarHBondContact O-N 2.87Å; Y112-L116 PolarHBondContact O-N 3.04Å; Y112-T143 HydrophobicContact CD1-CG2 3.64Å; Y112-T143 HydrophobicContact CE1-CG2 3.72Å; Y112-T143 HydrophobicContact CG-CG2 4.13Å
113I97.6Very high96.2Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-61.6-36.9-177.2-75.3171.1000110W40 K111 T115 L116 F117 F124 V127 G139 S142 L144 V250W40-I113 HydrophobicContact CH2-CD1 4.24Å; W40-I113 HydrophobicContact CH2-CG2 4.2Å; W40-I113 HydrophobicContact CZ3-CD1 3.78Å; W40-I113 HydrophobicContact CZ3-CG1 4.19Å; K111-I113 PolarHBondContact O-N 2.93Å; K111-I113 VanDerWaalsContact O-N 3.1Å; I113-T115 VanDerWaalsContact C-N 3.27Å; I113-T115 PolarHBondContact O-N 3.14Å; I113-L116 PolarHBondContact O-N 3.21Å; I113-F117 HydrophobicContact CG2-CD2 4.02Å; I113-F117 PolarHBondContact O-N 3.17Å; I113-F124 HydrophobicContact CG2-CD1 3.85Å; I113-F124 HydrophobicContact CG2-CE1 4.2Å; I113-V127 HydrophobicContact CD1-CG2 4.43Å; I113-G139 WeakPolarHBondContact CB-O 3.25Å; I113-G139 VanDerWaalsContact CG2-O 3.31Å; I113-G139 WeakPolarHBondContact CG2-O 3.44Å; I113-S142 PolarHBondContact N-O 3.4Å; I113-L144 HydrophobicContact CD1-CB 4.3Å; I113-L144 HydrophobicContact CG1-CB 3.86Å; I113-V250 HydrophobicContact CD1-CG1 3.84Å; I113-V250 HydrophobicContact CD1-CG2 4.25Å
114T96.1Very high96.2Very high59 Ų5942.8 Ų42.836%0.36222%0.221SC..Hα-helixtrans-58.3-36.2175.4-167.20000113.3Y112 H118Y112-T114 PolarHBondContact O-N 3.24Å; T114-H118 WeakPolarHBondContact O-CA 3.49Å; T114-H118 WeakPolarHBondContact O-CB 3.39Å; T114-H118 PolarHBondContact O-N 3.31Å
115T95.5Very high96.2Very high95 Ų9545.9 Ų45.958%0.58324%0.237SC*.Hα-helixtrans-79.6-45.7178.4-55.10000110.2Y112 I113 F117 H118Y112-T115 PolarHBondContact O-N 2.87Å; I113-T115 VanDerWaalsContact C-N 3.27Å; I113-T115 PolarHBondContact O-N 3.14Å; T115-F117 VanDerWaalsContact C-N 3.26Å; T115-F117 PolarHBondContact O-N 2.97Å; T115-H118 PolarHBondContact O-ND1 3.26Å; T115-H118 VanDerWaalsContact O-ND1 3.15Å
116L95.3Very high96.2Very high15 Ų1547 Ų478%0.07924%0.243CC..Hα-helixtrans-64.6-26.2-179.3-81.1-167.7000114.1L49 R52 I54 K111 Y112 I113 L144L49-L116 HydrophobicContact CD2-CB 4.35Å; L49-L116 HydrophobicContact CD2-CD2 4.48Å; L49-L116 WeakPolarHBondContact CD2-O 3.47Å; R52-L116 PolarHBondContact NH1-O 3.33Å; I54-L116 HydrophobicContact CG2-CD2 3.57Å; K111-L116 HydrophobicContact CB-CD1 3.45Å; K111-L116 VanDerWaalsContact CB-CD1 3.45Å; K111-L116 HydrophobicContact CB-CG 4.02Å; K111-L116 HydrophobicContact CG-CD1 4.28Å; Y112-L116 PolarHBondContact O-N 3.04Å; I113-L116 PolarHBondContact O-N 3.21Å; L116-L144 HydrophobicContact CD1-CD2 3.86Å
117F96.3Very high96.1Very high0 Ų047 Ų470%024%0.243CC..THydrogen-bonded Turntrans-13031.3-177-60.8-77.1000112W40 L45 C48 L49 I113 T115 D119 Q120 M123 F124 L144W40-F117 HydrophobicContact CH2-CD2 4.44Å; W40-F117 HydrophobicContact CH2-CE2 4.14Å; W40-F117 HydrophobicContact CZ3-CE2 4.06Å; L45-F117 HydrophobicContact CD2-CZ 3.87Å; C48-F117 HydrophobicContact CB-CE1 3.84Å; L49-F117 HydrophobicContact CD1-CZ 4.31Å; L49-F117 HydrophobicContact CD2-CD1 4.14Å; L49-F117 HydrophobicContact CD2-CE1 3.53Å; L49-F117 HydrophobicContact CD2-CE2 4.43Å; L49-F117 HydrophobicContact CD2-CZ 3.72Å; L49-F117 HydrophobicContact CG-CE1 3.87Å; L49-F117 HydrophobicContact CG-CZ 3.92Å; I113-F117 HydrophobicContact CG2-CD2 4.02Å; I113-F117 PolarHBondContact O-N 3.17Å; T115-F117 VanDerWaalsContact C-N 3.26Å; T115-F117 PolarHBondContact O-N 2.97Å; F117-D119 PolarHBondContact O-N 2.85Å; F117-D119 VanDerWaalsContact O-N 3.09Å; F117-Q120 HydrophobicContact CB-CB 4.34Å; F117-Q120 HydrophobicContact CD1-CB 4.49Å; F117-Q120 CarbonylContact O-C 3.43Å; F117-Q120 VanDerWaalsContact O-C 3.3Å; F117-Q120 PolarHBondContact O-N 2.82Å; F117-M123 HydrophobicContact CB-CB 3.98Å; F117-M123 HydrophobicContact CB-CG 4.3Å; F117-M123 HydrophobicContact CD1-CB 4.26Å; F117-M123 HydrophobicContact CD1-CE 3.96Å; F117-M123 HydrophobicContact CD1-CG 3.85Å; F117-M123 HydrophobicContact CD2-CB 4.44Å; F117-M123 HydrophobicContact CE1-CE 3.53Å; F117-M123 HydrophobicContact CE1-CG 4.4Å; F117-M123 HydrophobicContact CE2-CE 4.26Å; F117-M123 HydrophobicContact CG-CB 3.98Å; F117-M123 HydrophobicContact CG-CE 4.49Å; F117-M123 HydrophobicContact CG-CG 4.1Å; F117-M123 HydrophobicContact CZ-CE 3.69Å; F117-F124 HydrophobicContact CB-CE1 3.94Å; F117-F124 WeakPolarHBondContact O-CZ 3.5Å; F117-L144 HydrophobicContact CE2-CD2 4.49Å
118H94.4Very high96Very high126 Ų12650.1 Ų50.158%0.58326%0.257SS*.THydrogen-bonded Turntrans-54.8-29.2179.271.6-85.4000113.3T114 T115T114-H118 WeakPolarHBondContact O-CA 3.49Å; T114-H118 WeakPolarHBondContact O-CB 3.39Å; T114-H118 PolarHBondContact O-N 3.31Å; T115-H118 PolarHBondContact O-ND1 3.26Å; T115-H118 VanDerWaalsContact O-ND1 3.15Å
119D95.2Very high96Very high80 Ų8050.1 Ų50.143%0.42826%0.257SS..THydrogen-bonded Turntrans-92-4.217862.4-34.9000113.8R52 F117R52-D119 IonicContact CZ-OD1 3.26Å; R52-D119 IonicContact CZ-OD2 3.22Å; R52-D119 IonicContact NH1-OD1 2.73Å; R52-D119 PolarHBondContact NH1-OD1 2.88Å; R52-D119 IonicContact NH1-OD2 3.24Å; R52-D119 IonicContact NH2-OD1 3.17Å; R52-D119 PolarHBondContact NH2-OD1 3Å; R52-D119 IonicContact NH2-OD2 3.04Å; R52-D119 PolarHBondContact NH2-OD2 2.91Å; F117-D119 PolarHBondContact O-N 2.85Å; F117-D119 VanDerWaalsContact O-N 3.09Å
120Q95.3Very high96.1Very high52 Ų5252.1 Ų52.124%0.24327%0.271CS..  trans-130.166.7178.9-62.4176.74300111.1C48 F117 S122 M123C48-Q120 PolarHBondContact O-NE2 2.81Å; F117-Q120 HydrophobicContact CB-CB 4.34Å; F117-Q120 HydrophobicContact CD1-CB 4.49Å; F117-Q120 CarbonylContact O-C 3.43Å; F117-Q120 VanDerWaalsContact O-C 3.3Å; F117-Q120 PolarHBondContact O-N 2.82Å; Q120-S122 PolarHBondContact O-N 2.9Å; Q120-M123 HydrophobicContact CB-CG 3.84Å; Q120-M123 VanDerWaalsContact O-CB 3.31Å; Q120-M123 WeakPolarHBondContact O-CB 3.33Å; Q120-M123 WeakPolarHBondContact O-CG 3.45Å; Q120-M123 PolarHBondContact O-N 3Å
121P93.2Very high96.2Very high77 Ų7751.5 Ų51.550%0.527%0.271SS..G310 helixtrans-59.9-22.6-172.5-24.935.1000115M123 F124P121-M123 PolarHBondContact O-N 3.43Å; P121-F124 HydrophobicContact CB-CD2 4.1Å; P121-F124 HydrophobicContact CB-CE2 3.98Å; P121-F124 WeakPolarHBondContact O-CB 3.34Å; P121-F124 VanDerWaalsContact O-CD2 3.25Å; P121-F124 WeakPolarHBondContact O-CD2 3.36Å; P121-F124 WeakPolarHBondContact O-CG 3.24Å; P121-F124 PolarHBondContact O-N 2.95Å; P121-F124 VanDerWaalsContact O-N 3.12Å
122S95.7Very high96.2Very high88 Ų8850 Ų5062%0.61526%0.264SS*.G310 helixtrans-60.1-29.4174.655.40000112.9Q120 F124 E125Q120-S122 PolarHBondContact O-N 2.9Å; S122-F124 PolarHBondContact O-N 2.84Å; S122-E125 PolarHBondContact O-N 2.78Å; S122-E125 VanDerWaalsContact O-N 3.17Å
123M96.5Very high96.1Very high12 Ų1244.6 Ų44.66%0.05925%0.249CC..G310 helixtrans-63.4-22.2177.5-65.9-69.6-77.500112.2W40 C48 F117 Q120 P121 E125W40-M123 HydrophobicContact CD2-CE 4.22Å; W40-M123 VanDerWaalsContact CE2-CE 3.46Å; W40-M123 HydrophobicContact CH2-CB 4.26Å; W40-M123 HydrophobicContact CH2-CE 3.95Å; W40-M123 HydrophobicContact CZ2-CB 3.96Å; W40-M123 HydrophobicContact CZ2-CE 3.32Å; W40-M123 VanDerWaalsContact CZ2-O 3.29Å; W40-M123 WeakPolarHBondContact CZ2-O 3.48Å; W40-M123 HydrophobicContact CZ2-SD 4Å; C48-M123 HydrophobicContact CB-CE 4.07Å; F117-M123 HydrophobicContact CB-CB 3.98Å; F117-M123 HydrophobicContact CB-CG 4.3Å; F117-M123 HydrophobicContact CD1-CB 4.26Å; F117-M123 HydrophobicContact CD1-CE 3.96Å; F117-M123 HydrophobicContact CD1-CG 3.85Å; F117-M123 HydrophobicContact CD2-CB 4.44Å; F117-M123 HydrophobicContact CE1-CE 3.53Å; F117-M123 HydrophobicContact CE1-CG 4.4Å; F117-M123 HydrophobicContact CE2-CE 4.26Å; F117-M123 HydrophobicContact CG-CB 3.98Å; F117-M123 HydrophobicContact CG-CE 4.49Å; F117-M123 HydrophobicContact CG-CG 4.1Å; F117-M123 HydrophobicContact CZ-CE 3.69Å; Q120-M123 HydrophobicContact CB-CG 3.84Å; Q120-M123 VanDerWaalsContact O-CB 3.31Å; Q120-M123 WeakPolarHBondContact O-CB 3.33Å; Q120-M123 WeakPolarHBondContact O-CG 3.45Å; Q120-M123 PolarHBondContact O-N 3Å; P121-M123 PolarHBondContact O-N 3.43Å; M123-E125 VanDerWaalsContact C-N 3.31Å
124F96.8Very high96Very high11 Ų1145.7 Ų45.75%0.04825%0.254CS..G310 helixtrans-68.1-35.5177.5-53.4-28.2000111.6I113 F117 P121 S122 D126 V127 T138 G139 K140I113-F124 HydrophobicContact CG2-CD1 3.85Å; I113-F124 HydrophobicContact CG2-CE1 4.2Å; F117-F124 HydrophobicContact CB-CE1 3.94Å; F117-F124 WeakPolarHBondContact O-CZ 3.5Å; P121-F124 HydrophobicContact CB-CD2 4.1Å; P121-F124 HydrophobicContact CB-CE2 3.98Å; P121-F124 WeakPolarHBondContact O-CB 3.34Å; P121-F124 VanDerWaalsContact O-CD2 3.25Å; P121-F124 WeakPolarHBondContact O-CD2 3.36Å; P121-F124 WeakPolarHBondContact O-CG 3.24Å; P121-F124 PolarHBondContact O-N 2.95Å; P121-F124 VanDerWaalsContact O-N 3.12Å; S122-F124 PolarHBondContact O-N 2.84Å; F124-D126 PolarHBondContact O-N 2.77Å; F124-V127 PolarHBondContact O-N 2.8Å; F124-T138 VanDerWaalsContact O-CB 3.31Å; F124-T138 WeakPolarHBondContact O-CB 3.23Å; F124-G139 PolarHBondContact O-N 3.08Å; F124-K140 HydrophobicContact CB-CG 4Å; F124-K140 HydrophobicContact CD1-CG 4.38Å; F124-K140 HydrophobicContact CD2-CD 4.18Å; F124-K140 VanDerWaalsContact CD2-CE 3.44Å; F124-K140 HydrophobicContact CD2-CG 3.61Å; F124-K140 HydrophobicContact CE2-CG 4.14Å; F124-K140 HydrophobicContact CG-CG 3.74Å
125E96.8Very high95.8Very high107 Ų10751.9 Ų51.950%0.528%0.279SS..G310 helixtrans-76.6-8.8-176.1-53.9-56.2140.100113.2S122 M123 V127S122-E125 PolarHBondContact O-N 2.78Å; S122-E125 VanDerWaalsContact O-N 3.17Å; M123-E125 VanDerWaalsContact C-N 3.31Å; E125-V127 PolarHBondContact O-N 2.85Å
126D97.7Very high95.6Very high31 Ų3150.2 Ų50.217%0.16628%0.28CS..G310 helixtrans-69.7-23.2176.4-75.6-1.2000112.3P36 V37 W40 F124P36-D126 HydrophobicContact CB-CB 3.9Å; P36-D126 VanDerWaalsContact CB-OD1 3.29Å; P36-D126 WeakPolarHBondContact CB-OD1 3.29Å; P36-D126 WeakPolarHBondContact CD-O 3.46Å; V37-D126 HydrophobicContact CB-CB 4.19Å; V37-D126 WeakPolarHBondContact CB-O 3.32Å; V37-D126 PolarHBondContact N-O 3.08Å; W40-D126 HydrophobicContact CZ2-CB 3.76Å; W40-D126 PolarHBondContact NE1-OD2 2.79Å; F124-D126 PolarHBondContact O-N 2.77Å
127V97.9Very high95.6Very high0 Ų051.8 Ų51.80%029%0.285CS..  trans-104120.9177.5-169.90000109W35 V37 I113 F124 E125 W129 T138 V250W35-V127 HydrophobicContact CZ3-CG1 4.03Å; V37-V127 HydrophobicContact CB-CG2 4.07Å; V37-V127 HydrophobicContact CG1-CG2 4.49Å; V37-V127 HydrophobicContact CG2-CG2 3.84Å; I113-V127 HydrophobicContact CD1-CG2 4.43Å; F124-V127 PolarHBondContact O-N 2.8Å; E125-V127 PolarHBondContact O-N 2.85Å; V127-W129 HydrophobicContact CG1-CD2 4.28Å; V127-W129 HydrophobicContact CG1-CG 4.32Å; V127-W129 HydrophobicContact CG1-CZ2 4.09Å; V127-T138 WeakPolarHBondContact O-CA 3.26Å; V127-V250 HydrophobicContact CG1-CG1 4.29Å; V127-V250 HydrophobicContact CG2-CG1 4.26Å
128K96.8Very high95.6Very high69 Ų6952.5 Ų52.530%0.329%0.29SS..  trans-119.859.7-166.8-58.8-178.5175.7-178.10113.2W35 S130 E131W35-K128 HydrophobicContact CD2-CB 3.97Å; W35-K128 HydrophobicContact CE3-CB 4.44Å; W35-K128 HydrophobicContact CG-CB 4.39Å; W35-K128 HydrophobicContact CG-CD 4.46Å; W35-K128 HydrophobicContact CH2-CB 4.4Å; W35-K128 VanDerWaalsContact CH2-O 3.26Å; W35-K128 WeakPolarHBondContact CH2-O 3.48Å; W35-K128 VanDerWaalsContact CZ2-C 3.44Å; W35-K128 HydrophobicContact CZ2-CB 3.93Å; W35-K128 WeakPolarHBondContact CZ2-O 3.31Å; K128-S130 PolarHBondContact O-N 3.06Å; K128-E131 HydrophobicContact CB-CG 4.35Å; K128-E131 PolarHBondContact O-N 2.9Å
129W97.6Very high95.7Very high0 Ų046.5 Ų46.50%026%0.262CS..G310 helixtrans-61.3-14178.4-59.5119.5000113.8W35 V127 E131 F132 G133 F134 R137 S142 L164 L166 V229 V250 S252W35-W129 HydrophobicContact CH2-CD2 4.1Å; W35-W129 AromaticContact CH2-CE3 3.66Å; W35-W129 HydrophobicContact CH2-CE3 3.66Å; W35-W129 AromaticContact CH2-CZ3 3.96Å; W35-W129 HydrophobicContact CH2-CZ3 3.96Å; W35-W129 HydrophobicContact CZ3-CD2 4.32Å; W35-W129 HydrophobicContact CZ3-CE3 4.14Å; W35-W129 HydrophobicContact CZ3-CH2 4.46Å; W35-W129 HydrophobicContact CZ3-CZ3 4.2Å; V127-W129 HydrophobicContact CG1-CD2 4.28Å; V127-W129 HydrophobicContact CG1-CG 4.32Å; V127-W129 HydrophobicContact CG1-CZ2 4.09Å; W129-E131 PolarHBondContact O-N 3.14Å; W129-F132 HydrophobicContact CE3-CD2 4.21Å; W129-F132 HydrophobicContact CE3-CG 4.41Å; W129-F132 HydrophobicContact CZ3-CD2 4.46Å; W129-F132 CarbonylContact O-C 3.53Å; W129-F132 WeakPolarHBondContact O-CA 3.34Å; W129-F132 WeakPolarHBondContact O-CB 3.42Å; W129-F132 PolarHBondContact O-N 3.14Å; W129-G133 PolarHBondContact O-N 3.26Å; W129-F134 HydrophobicContact CB-CB 4.35Å; W129-F134 PolarHBondContact O-N 3.29Å; W129-R137 HydrophobicContact CB-CB 4.06Å; W129-R137 HydrophobicContact CB-CG 4.18Å; W129-R137 WeakPolarHBondContact CB-O 3.46Å; W129-R137 PolarHBondContact N-O 3.28Å; W129-S142 PolarHBondContact NE1-OG 2.83Å; W129-L164 HydrophobicContact CE3-CB 4.26Å; W129-L164 HydrophobicContact CE3-CD1 4.02Å; W129-L164 HydrophobicContact CH2-CB 3.99Å; W129-L164 HydrophobicContact CZ3-CB 3.74Å; W129-L164 HydrophobicContact CZ3-CD1 4.21Å; W129-L166 HydrophobicContact CH2-CB 4.01Å; W129-V229 HydrophobicContact CZ3-CG1 4.17Å; W129-V250 HydrophobicContact CZ2-CG1 4.49Å; W129-S252 VanDerWaalsContact CE2-CB 3.45Å
130S95.4Very high95.7Very high49 Ų4947.4 Ų47.434%0.34326%0.262SS..G310 helixtrans-55-32.1165.857.40000113.4P12 K128 F132 G133 F134P12-S130 WeakPolarHBondContact CB-O 3.38Å; K128-S130 PolarHBondContact O-N 3.06Å; S130-F132 PolarHBondContact O-N 2.97Å; S130-G133 PolarHBondContact O-N 2.94Å; S130-F134 VanDerWaalsContact CA-O 3.29Å; S130-F134 WeakPolarHBondContact CA-O 3.29Å; S130-F134 PolarHBondContact N-O 3.1Å
131E95.5Very high95.7Very high44 Ų4448.8 Ų48.821%0.20627%0.268CS..G310 helixtrans-72.3-13.1174.6-62.6-175.5-168.800113.1K8 W35 K128 W129 G133K8-E131 WeakPolarHBondContact CE-OE2 3.48Å; K8-E131 IonicContact NZ-OE1 2.62Å; K8-E131 IonicContact NZ-OE2 3.03Å; K8-E131 PolarHBondContact NZ-OE2 3.07Å; W35-E131 HydrophobicContact CZ2-CB 4.11Å; W35-E131 PolarHBondContact NE1-OE2 2.86Å; K128-E131 HydrophobicContact CB-CG 4.35Å; K128-E131 PolarHBondContact O-N 2.9Å; W129-E131 PolarHBondContact O-N 3.14Å; E131-G133 VanDerWaalsContact C-N 3.35Å
132F96.8Very high95.9Very high0 Ų045.2 Ų45.20%025%0.245CC..G310 helixtrans-95.911.4168.6-81.7-105.9000112.4T15 L19 F28 M31 T32 W35 W129 S130 F134 L164 V229T15-F132 HydrophobicContact CG2-CB 4.09Å; T15-F132 HydrophobicContact CG2-CD1 3.55Å; T15-F132 HydrophobicContact CG2-CE1 4.16Å; T15-F132 HydrophobicContact CG2-CG 3.95Å; L19-F132 HydrophobicContact CD1-CB 4.49Å; L19-F132 HydrophobicContact CD1-CD1 4.28Å; F28-F132 HydrophobicContact CB-CE1 4.08Å; F28-F132 HydrophobicContact CB-CZ 4.09Å; F28-F132 HydrophobicContact CD1-CE1 4.11Å; F28-F132 AromaticContact CD2-CE1 3.88Å; F28-F132 HydrophobicContact CD2-CE1 3.88Å; F28-F132 HydrophobicContact CE2-CE1 4.32Å; F28-F132 AromaticContact CG-CE1 3.76Å; F28-F132 HydrophobicContact CG-CE1 3.76Å; F28-F132 HydrophobicContact CG-CZ 4.27Å; M31-F132 HydrophobicContact CB-CE2 3.83Å; M31-F132 HydrophobicContact CB-CZ 3.65Å; M31-F132 HydrophobicContact CG-CZ 4.23Å; T32-F132 HydrophobicContact CG2-CE2 4.42Å; W35-F132 HydrophobicContact CH2-CD2 4Å; W35-F132 HydrophobicContact CH2-CE2 4.12Å; W35-F132 AromaticContact CZ2-CD2 3.92Å; W35-F132 HydrophobicContact CZ2-CD2 3.92Å; W35-F132 AromaticContact CZ2-CE2 4Å; W35-F132 HydrophobicContact CZ2-CE2 4Å; W129-F132 HydrophobicContact CE3-CD2 4.21Å; W129-F132 HydrophobicContact CE3-CG 4.41Å; W129-F132 HydrophobicContact CZ3-CD2 4.46Å; W129-F132 CarbonylContact O-C 3.53Å; W129-F132 WeakPolarHBondContact O-CA 3.34Å; W129-F132 WeakPolarHBondContact O-CB 3.42Å; W129-F132 PolarHBondContact O-N 3.14Å; S130-F132 PolarHBondContact O-N 2.97Å; F132-F134 HydrophobicContact CB-CD2 3.94Å; F132-F134 HydrophobicContact CB-CE2 4.15Å; F132-F134 WeakPolarHBondContact O-CD2 3.17Å; F132-F134 WeakPolarHBondContact O-CE2 3.2Å; F132-L164 HydrophobicContact CB-CD1 4.19Å; F132-L164 HydrophobicContact CD1-CD1 4.14Å; F132-L164 HydrophobicContact CD1-CD2 4.22Å; F132-L164 HydrophobicContact CE1-CD2 4.46Å; F132-L164 HydrophobicContact CG-CD1 4.34Å; F132-V229 HydrophobicContact CE1-CB 4.13Å; F132-V229 HydrophobicContact CE1-CG1 3.82Å; F132-V229 HydrophobicContact CE2-CG2 4.09Å; F132-V229 HydrophobicContact CZ-CB 3.68Å; F132-V229 HydrophobicContact CZ-CG1 3.78Å; F132-V229 HydrophobicContact CZ-CG2 3.67Å
133G95.3Very high96Very high21 Ų2141.6 Ų41.622%0.21622%0.22CC..THydrogen-bonded Turntrans81.617.4178.300000114.8P12 W129 S130 E131P12-G133 WeakPolarHBondContact O-CA 3.12Å; W129-G133 PolarHBondContact O-N 3.26Å; S130-G133 PolarHBondContact O-N 2.94Å; E131-G133 VanDerWaalsContact C-N 3.35Å
134F95.1Very high96.1Very high23 Ų2341 Ų4110%0.10122%0.217CC..  trans-104.378.1171.5-58.7-82.9000109.6L19 W129 S130 F132 G136 R137 L164 I254L19-F134 HydrophobicContact CD1-CE2 3.56Å; L19-F134 HydrophobicContact CD1-CZ 3.93Å; W129-F134 HydrophobicContact CB-CB 4.35Å; W129-F134 PolarHBondContact O-N 3.29Å; S130-F134 VanDerWaalsContact CA-O 3.29Å; S130-F134 WeakPolarHBondContact CA-O 3.29Å; S130-F134 PolarHBondContact N-O 3.1Å; F132-F134 HydrophobicContact CB-CD2 3.94Å; F132-F134 HydrophobicContact CB-CE2 4.15Å; F132-F134 WeakPolarHBondContact O-CD2 3.17Å; F132-F134 WeakPolarHBondContact O-CE2 3.2Å; F134-G136 PolarHBondContact O-N 2.85Å; F134-R137 HydrophobicContact CB-CB 3.77Å; F134-R137 HydrophobicContact CB-CG 4.48Å; F134-R137 VanDerWaalsContact O-CB 3.27Å; F134-R137 WeakPolarHBondContact O-CB 3.4Å; F134-R137 PolarHBondContact O-N 2.95Å; F134-R137 VanDerWaalsContact O-N 3.09Å; F134-L164 HydrophobicContact CD2-CD1 4.08Å; F134-L164 HydrophobicContact CE2-CD1 3.55Å; F134-L164 HydrophobicContact CZ-CD1 4.36Å; F134-I254 HydrophobicContact CD1-CD1 3.94Å; F134-I254 HydrophobicContact CD1-CG1 4.5Å; F134-I254 HydrophobicContact CD1-CG2 4.09Å; F134-I254 HydrophobicContact CD2-CD1 4.28Å; F134-I254 HydrophobicContact CE1-CB 4.23Å; F134-I254 HydrophobicContact CE1-CD1 3.89Å; F134-I254 HydrophobicContact CE1-CG1 3.95Å; F134-I254 HydrophobicContact CE1-CG2 3.27Å; F134-I254 HydrophobicContact CE2-CD1 4.28Å; F134-I254 HydrophobicContact CE2-CG1 4.32Å; F134-I254 HydrophobicContact CG-CD1 4.12Å; F134-I254 HydrophobicContact CZ-CB 4.43Å; F134-I254 HydrophobicContact CZ-CD1 4.08Å; F134-I254 HydrophobicContact CZ-CG1 3.86Å; F134-I254 HydrophobicContact CZ-CG2 3.79Å
135E92.8Very high96.2Very high189 Ų18941.5 Ų41.588%0.88322%0.218SC*.THydrogen-bonded Turntrans-55.2135.7-177.8-169.3172.3-17100111.8R137E135-R137 PolarHBondContact O-N 2.81Å
136G91Very high96.3Very high60 Ų6036.5 Ų36.562%0.61920%0.195SC*.THydrogen-bonded Turntrans75.7-7.2-178.600000115.5F134F134-G136 PolarHBondContact O-N 2.85Å
137R95.3Very high96.3Very high48 Ų4835 Ų3518%0.18119%0.187CC..  trans-85.3125.2-179.7-164.2170-173118.79.5111.5W129 F134 E135 E141 S252 W253W129-R137 HydrophobicContact CB-CB 4.06Å; W129-R137 HydrophobicContact CB-CG 4.18Å; W129-R137 WeakPolarHBondContact CB-O 3.46Å; W129-R137 PolarHBondContact N-O 3.28Å; F134-R137 HydrophobicContact CB-CB 3.77Å; F134-R137 HydrophobicContact CB-CG 4.48Å; F134-R137 VanDerWaalsContact O-CB 3.27Å; F134-R137 WeakPolarHBondContact O-CB 3.4Å; F134-R137 PolarHBondContact O-N 2.95Å; F134-R137 VanDerWaalsContact O-N 3.09Å; E135-R137 PolarHBondContact O-N 2.81Å; R137-E141 HydrophobicContact CG-CB 4.11Å; R137-E141 HydrophobicContact CG-CG 4.38Å; R137-E141 PolarHBondContact NH2-O 3.28Å; R137-S252 PolarHBondContact NE-OG 2.89Å; R137-S252 PolarHBondContact NH2-OG 3.14Å; R137-W253 VanDerWaalsContact CZ-O 3.26Å; R137-W253 PolarHBondContact NH1-O 2.68Å; R137-W253 PolarHBondContact NH2-O 3.1Å
138T96.1Very high96.4Very high15 Ų1535.2 Ų35.29%0.09219%0.188CC..  trans-138.3-157.8-171.873.80000111.6F124 V127 K140 E141 S142F124-T138 VanDerWaalsContact O-CB 3.31Å; F124-T138 WeakPolarHBondContact O-CB 3.23Å; V127-T138 WeakPolarHBondContact O-CA 3.26Å; T138-K140 PolarHBondContact O-N 2.74Å; T138-K140 PolarHBondContact OG1-N 3.43Å; T138-E141 PolarHBondContact N-OE2 2.91Å; T138-E141 PolarHBondContact O-N 2.76Å; T138-S142 PolarHBondContact O-OG 3.47Å
139G96.2Very high96.4Very high0 Ų037.1 Ų37.10%020%0.198CC..G310 helixtrans-59.4-21.117200000113.1I113 F124 E141 S142I113-G139 WeakPolarHBondContact CB-O 3.25Å; I113-G139 VanDerWaalsContact CG2-O 3.31Å; I113-G139 WeakPolarHBondContact CG2-O 3.44Å; F124-G139 PolarHBondContact O-N 3.08Å; G139-E141 VanDerWaalsContact C-N 3.3Å; G139-E141 PolarHBondContact O-N 3.11Å; G139-S142 PolarHBondContact O-N 2.75Å
140K95.6Very high96.4Very high100 Ų10038.4 Ų38.444%0.43521%0.211SC..G310 helixtrans-58.9-40.6178.2-73.4179.6-175.5171.90112.9F124 T138 S142F124-K140 HydrophobicContact CB-CG 4Å; F124-K140 HydrophobicContact CD1-CG 4.38Å; F124-K140 HydrophobicContact CD2-CD 4.18Å; F124-K140 VanDerWaalsContact CD2-CE 3.44Å; F124-K140 HydrophobicContact CD2-CG 3.61Å; F124-K140 HydrophobicContact CE2-CG 4.14Å; F124-K140 HydrophobicContact CG-CG 3.74Å; T138-K140 PolarHBondContact O-N 2.74Å; T138-K140 PolarHBondContact OG1-N 3.43Å; K140-S142 VanDerWaalsContact C-N 3.33Å
141E95.7Very high96.5Very high80 Ų8036 Ų3637%0.37420%0.195SC..G310 helixtrans-99.926.8-179.9-52.572.8-149.100112.4R137 T138 G139R137-E141 HydrophobicContact CG-CB 4.11Å; R137-E141 HydrophobicContact CG-CG 4.38Å; R137-E141 PolarHBondContact NH2-O 3.28Å; T138-E141 PolarHBondContact N-OE2 2.91Å; T138-E141 PolarHBondContact O-N 2.76Å; G139-E141 VanDerWaalsContact C-N 3.3Å; G139-E141 PolarHBondContact O-N 3.11Å
142S97.7Very high96.6Very high2 Ų234.9 Ų34.91%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-125.3152.6-175.7-58.60000112.4I113 W129 T138 G139 K140 N251I113-S142 PolarHBondContact N-O 3.4Å; W129-S142 PolarHBondContact NE1-OG 2.83Å; T138-S142 PolarHBondContact O-OG 3.47Å; G139-S142 PolarHBondContact O-N 2.75Å; K140-S142 VanDerWaalsContact C-N 3.33Å; S142-N251 CarbonylContact C-O 3.04Å; S142-N251 WeakPolarHBondContact CA-O 3.25Å; S142-N251 VanDerWaalsContact CB-O 3.32Å; S142-N251 WeakPolarHBondContact CB-O 3.31Å
143T98Very high96.6Very high13 Ų1335 Ų358%0.0819%0.191CC..EExtended strand (participates in β ladder)trans-115.2142.5174.552.10000110.6K111 Y112 W145 V250 N251K111-T143 CarbonylContact O-C 3.46Å; K111-T143 WeakPolarHBondContact O-CA 3.49Å; Y112-T143 HydrophobicContact CD1-CG2 3.64Å; Y112-T143 HydrophobicContact CE1-CG2 3.72Å; Y112-T143 HydrophobicContact CG-CG2 4.13Å; T143-W145 PolarHBondContact O-NE1 2.73Å; T143-W145 PolarHBondContact OG1-NE1 2.68Å; T143-W145 VanDerWaalsContact OG1-NE1 3.15Å; T143-V250 VanDerWaalsContact O-CA 3.3Å; T143-V250 WeakPolarHBondContact O-CA 3.42Å; T143-N251 PolarHBondContact N-O 2.96Å; T143-N251 PolarHBondContact O-N 3.47Å; T143-N251 PolarHBondContact OG1-OD1 3.45Å
144L98.6Very high96.6Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-100.1142.5177177.768.4000109.9W40 L45 K111 I113 L116 F117 I146 V248 V250W40-L144 HydrophobicContact CE3-CD1 4.26Å; L45-L144 HydrophobicContact CD1-CD1 4.15Å; L45-L144 HydrophobicContact CD1-CD2 4.07Å; L45-L144 HydrophobicContact CD2-CD2 4.09Å; K111-L144 HydrophobicContact CB-CB 4.28Å; K111-L144 WeakPolarHBondContact CB-O 3.31Å; K111-L144 PolarHBondContact N-O 2.88Å; K111-L144 VanDerWaalsContact N-O 3.14Å; K111-L144 PolarHBondContact O-N 2.81Å; I113-L144 HydrophobicContact CD1-CB 4.3Å; I113-L144 HydrophobicContact CG1-CB 3.86Å; L116-L144 HydrophobicContact CD1-CD2 3.86Å; F117-L144 HydrophobicContact CE2-CD2 4.49Å; L144-I146 HydrophobicContact CD2-CD1 4.21Å; L144-I146 HydrophobicContact CD2-CG1 4.4Å; L144-I146 HydrophobicContact CG-CG1 4.25Å; L144-V248 HydrophobicContact CD1-CG1 3.65Å; L144-V250 HydrophobicContact CD1-CG2 3.89Å
145W98.8Very high96.8Very high21 Ų2133.2 Ų33.28%0.0818%0.178CC..EExtended strand (participates in β ladder)trans-133.4125.5-179.4-50.574.5000109.5Y107 A108 D109 Y110 T143 V248 S249 N251Y107-W145 HydrophobicContact CE1-CE3 4.16Å; Y107-W145 HydrophobicContact CE1-CZ3 4.45Å; Y107-W145 HydrophobicContact CE2-CB 4.03Å; Y107-W145 HydrophobicContact CE2-CE3 4.15Å; Y107-W145 AromaticContact CZ-CE3 3.61Å; Y107-W145 VanDerWaalsContact OH-CE3 3.24Å; A108-W145 VanDerWaalsContact O-CA 3.31Å; A108-W145 WeakPolarHBondContact O-CA 3.38Å; D109-W145 VanDerWaalsContact CA-CE3 3.5Å; D109-W145 HydrophobicContact CB-CE3 3.46Å; D109-W145 VanDerWaalsContact CB-CE3 3.46Å; D109-W145 HydrophobicContact CB-CZ3 3.39Å; Y110-W145 AromaticContact CD1-CH2 3.6Å; Y110-W145 HydrophobicContact CD1-CH2 3.6Å; Y110-W145 HydrophobicContact CD1-CZ2 4.03Å; Y110-W145 HydrophobicContact CD1-CZ3 4.47Å; Y110-W145 AromaticContact CD2-CH2 3.73Å; Y110-W145 HydrophobicContact CD2-CH2 3.73Å; Y110-W145 AromaticContact CD2-CZ3 3.79Å; Y110-W145 HydrophobicContact CD2-CZ3 3.79Å; Y110-W145 AromaticContact CE1-CH2 3.52Å; Y110-W145 HydrophobicContact CE1-CH2 3.52Å; Y110-W145 HydrophobicContact CE1-CZ2 4.18Å; Y110-W145 HydrophobicContact CE1-CZ3 4.45Å; Y110-W145 AromaticContact CE2-CH2 3.59Å; Y110-W145 HydrophobicContact CE2-CH2 3.59Å; Y110-W145 AromaticContact CE2-CZ3 3.72Å; Y110-W145 HydrophobicContact CE2-CZ3 3.72Å; Y110-W145 AromaticContact CG-CH2 3.72Å; Y110-W145 HydrophobicContact CG-CH2 3.72Å; Y110-W145 HydrophobicContact CG-CZ2 4.33Å; Y110-W145 HydrophobicContact CG-CZ3 4.16Å; Y110-W145 AromaticContact CZ-CH2 3.51Å; T143-W145 PolarHBondContact O-NE1 2.73Å; T143-W145 PolarHBondContact OG1-NE1 2.68Å; T143-W145 VanDerWaalsContact OG1-NE1 3.15Å; W145-V248 VanDerWaalsContact O-CA 3.26Å; W145-V248 WeakPolarHBondContact O-CA 3.37Å; W145-S249 WeakPolarHBondContact CB-OG 3.37Å; W145-S249 PolarHBondContact N-O 2.96Å; W145-S249 PolarHBondContact O-N 3.2Å; W145-N251 VanDerWaalsContact CE2-OD1 3.31Å; W145-N251 WeakPolarHBondContact CZ2-OD1 3.4Å; W145-N251 PolarHBondContact NE1-OD1 2.71Å
146I98.8Very high97Very high1 Ų124.5 Ų24.51%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-127.5118.2177.8-49.1173.2000108.3A42 L45 V80 F83 Y107 A108 L144 T247 V248A42-I146 HydrophobicContact CB-CG2 4.38Å; L45-I146 HydrophobicContact CD1-CD1 3.91Å; L45-I146 HydrophobicContact CD1-CG1 4.3Å; V80-I146 HydrophobicContact CG2-CD1 4.37Å; F83-I146 HydrophobicContact CD1-CG2 4.42Å; F83-I146 HydrophobicContact CE1-CG2 3.78Å; F83-I146 HydrophobicContact CZ-CG2 3.99Å; Y107-I146 CarbonylContact C-O 3.52Å; Y107-I146 WeakPolarHBondContact CA-O 3.44Å; Y107-I146 WeakPolarHBondContact CD2-O 3.25Å; A108-I146 HydrophobicContact CB-CB 4.27Å; A108-I146 PolarHBondContact N-O 3.19Å; A108-I146 PolarHBondContact O-N 3.03Å; L144-I146 HydrophobicContact CD2-CD1 4.21Å; L144-I146 HydrophobicContact CD2-CG1 4.4Å; L144-I146 HydrophobicContact CG-CG1 4.25Å; I146-T247 WeakPolarHBondContact CA-O 3.42Å; I146-V248 HydrophobicContact CG1-CG2 4.39Å; I146-V248 HydrophobicContact CG2-CG2 4.32Å
147G98.5Very high97.3Very high0 Ų022.4 Ų22.40%011%0.111CC..EExtended strand (participates in β ladder)trans-140.4156.9-174.700000113.8A106 I246 T247A106-G147 CarbonylContact O-C 3.52Å; A106-G147 VanDerWaalsContact O-CA 3.31Å; A106-G147 WeakPolarHBondContact O-CA 3.42Å; G147-I246 CarbonylContact O-C 3.55Å; G147-I246 WeakPolarHBondContact O-CA 3.47Å; G147-T247 PolarHBondContact N-O 3.42Å; G147-T247 PolarHBondContact O-N 3.34Å; G147-T247 PolarHBondContact O-OG1 3.4Å; G147-T247 VanDerWaalsContact O-OG1 3.1Å
148T98.8Very high97.3Very high4 Ų420.4 Ų20.43%0.02510%0.104CC..EExtended strand (participates in β ladder)trans-93.6169.1169.458.40000112.7F83 W86 T87 W105 A106 G150 A151 S242 P245F83-T148 HydrophobicContact CE2-CG2 3.6Å; F83-T148 HydrophobicContact CZ-CG2 3.59Å; W86-T148 HydrophobicContact CE3-CG2 4.5Å; W86-T148 HydrophobicContact CZ3-CG2 3.75Å; T87-T148 HydrophobicContact CG2-CG2 3.57Å; W105-T148 WeakPolarHBondContact CA-OG1 3.48Å; A106-T148 PolarHBondContact N-OG1 3.2Å; A106-T148 PolarHBondContact O-N 3.35Å; T148-G150 PolarHBondContact O-N 2.82Å; T148-A151 WeakPolarHBondContact O-CB 3.32Å; T148-A151 PolarHBondContact O-N 2.71Å; T148-S242 VanDerWaalsContact O-CB 3.22Å; T148-S242 WeakPolarHBondContact O-CB 3.31Å; T148-P245 VanDerWaalsContact CA-O 3.25Å; T148-P245 WeakPolarHBondContact CA-O 3.41Å
149Q98.1Very high97.1Very high110 Ų11020.6 Ų20.651%0.51411%0.105SC..THydrogen-bonded Turntrans-52.6128.2174.5-172.7178.3-3.100111.8S242 D244 P245Q149-S242 WeakPolarHBondContact CA-O 3.31Å; Q149-D244 WeakPolarHBondContact CA-O 3.36Å; Q149-D244 WeakPolarHBondContact CB-O 3.48Å; Q149-D244 PolarHBondContact N-O 3.37Å; Q149-P245 PolarHBondContact N-O 3.13Å
150G96.7Very high96.8Very high26 Ų2621.2 Ų21.227%0.26811%0.108SC..THydrogen-bonded Turntrans90.6-13.9-176.900000114.7T148 N152 S242T148-G150 PolarHBondContact O-N 2.82Å; G150-N152 PolarHBondContact O-N 2.87Å; G150-N152 PolarHBondContact O-ND2 2.85Å; G150-S242 PolarHBondContact N-O 2.84Å
151A98Very high96.7Very high0 Ų016.5 Ų16.50%09%0.087CC..  trans-58.9132.4170.300000109.7W105 Y107 T148 E241 S242W105-A151 HydrophobicContact CB-CB 4.41Å; W105-A151 HydrophobicContact CD2-CB 4.15Å; W105-A151 HydrophobicContact CE3-CB 3.75Å; W105-A151 HydrophobicContact CG-CB 4.47Å; W105-A151 HydrophobicContact CZ3-CB 4.39Å; Y107-A151 HydrophobicContact CD1-CB 4.29Å; Y107-A151 HydrophobicContact CD2-CB 4.21Å; Y107-A151 HydrophobicContact CG-CB 3.9Å; T148-A151 WeakPolarHBondContact O-CB 3.32Å; T148-A151 PolarHBondContact O-N 2.71Å; A151-E241 WeakPolarHBondContact O-CA 3.34Å; A151-S242 PolarHBondContact O-N 3.06Å
152N96.9Very high96.7Very high19 Ų1912.9 Ų12.910%0.1027%0.071CC..EExtended strand (participates in β ladder)trans-147.8159.2-172.66588.8000112.5R57 G150 Y239 V240 E241R57-N152 PolarHBondContact NH2-O 2.76Å; G150-N152 PolarHBondContact O-N 2.87Å; G150-N152 PolarHBondContact O-ND2 2.85Å; N152-Y239 HydrophobicContact CB-CE2 3.94Å; N152-Y239 WeakPolarHBondContact CB-OH 3.08Å; N152-V240 CarbonylContact C-O 3.48Å; N152-V240 WeakPolarHBondContact CA-O 3.32Å; N152-V240 WeakPolarHBondContact CB-O 3.2Å; N152-E241 HydrophobicContact CB-CB 4.14Å
153T96.7Very high96.7Very high4 Ų413.4 Ų13.43%0.0257%0.073CC..EExtended strand (participates in β ladder)trans-109.2125.1165.7-53.70000107.5H156 Y239 V240T153-H156 VanDerWaalsContact CG2-CE1 3.46Å; T153-H156 WeakPolarHBondContact CG2-CE1 3.36Å; T153-Y239 WeakPolarHBondContact O-CD2 3.41Å; T153-V240 PolarHBondContact N-O 3.09Å; T153-V240 PolarHBondContact O-N 3.24Å
154P95.9Very high96.7Very high3 Ų312.8 Ų12.82%0.0197%0.07CC..EExtended strand (participates in β ladder)trans-51.7156.8177.3-2836.5000112.7P67 L68 F69 E70 H156 F198P67-P154 HydrophobicContact CB-CB 4.47Å; L68-P154 VanDerWaalsContact O-CG 3.27Å; L68-P154 WeakPolarHBondContact O-CG 3.4Å; F69-P154 HydrophobicContact CD1-CB 4.2Å; F69-P154 HydrophobicContact CD1-CG 4.19Å; F69-P154 HydrophobicContact CE1-CB 4.26Å; E70-P154 VanDerWaalsContact OE1-CD 3.24Å; E70-P154 WeakPolarHBondContact OE1-CD 3.07Å; P154-H156 PolarHBondContact O-N 3.47Å; P154-H156 PolarHBondContact O-ND1 3.41Å; P154-F198 HydrophobicContact CB-CD1 4.36Å
155C98.3Very high96.8Very high2 Ų213 Ų131%0.0147%0.071CC..EExtended strand (participates in β ladder)trans-64.9124.3-179.3-174.60000110.2F198 S199 V203 H238C155-F198 CarbonylContact O-C 3.59Å; C155-S199 WeakPolarHBondContact O-CB 3.27Å; C155-S199 PolarHBondContact O-N 3.06Å; C155-V203 HydrophobicContact CB-CG1 3.56Å; C155-V203 HydrophobicContact CB-CG2 4.26Å; C155-H238 VanDerWaalsContact CA-O 3.31Å; C155-H238 WeakPolarHBondContact CA-O 3.29Å
156H98Very high96.8Very high7 Ų712 Ų123%0.0327%0.067CC..EExtended strand (participates in β ladder)trans-147.6165.1178.662.7-68.9000110.8T153 P154 D158 V197 F198 W237 H238T153-H156 VanDerWaalsContact CG2-CE1 3.46Å; T153-H156 WeakPolarHBondContact CG2-CE1 3.36Å; P154-H156 PolarHBondContact O-N 3.47Å; P154-H156 PolarHBondContact O-ND1 3.41Å; H156-D158 IonicContact CD2-OD1 2.58Å; H156-D158 IonicContact NE2-OD1 3.73Å; H156-V197 CarbonylContact C-O 3.59Å; H156-V197 WeakPolarHBondContact CA-O 3.34Å; H156-V197 VanDerWaalsContact CB-O 3.27Å; H156-V197 WeakPolarHBondContact CB-O 3.46Å; H156-F198 HydrophobicContact CB-CD1 3.67Å; H156-F198 HydrophobicContact CB-CE1 3.96Å; H156-F198 HydrophobicContact CB-CG 4.36Å; H156-W237 CarbonylContact O-C 3.46Å; H156-W237 VanDerWaalsContact O-CA 3.24Å; H156-W237 WeakPolarHBondContact O-CA 3.46Å; H156-H238 AromaticContact CD2-CE1 3.84Å; H156-H238 AromaticContact CD2-NE2 3.96Å; H156-H238 AromaticContact CE1-CD2 3.68Å; H156-H238 AromaticContact CE1-CE1 3.78Å; H156-H238 AromaticContact CE1-NE2 3.17Å; H156-H238 PolarHBondContact CE1-NE2 3.06Å; H156-H238 PolarHBondContact N-O 2.99Å; H156-H238 AromaticContact NE2-CE1 3.44Å; H156-H238 PolarHBondContact NE2-CE1 3.03Å; H156-H238 AromaticContact NE2-NE2 3.12Å; H156-H238 PolarHBondContact NE2-NE2 3.15Å; H156-H238 VanDerWaalsContact NE2-NE2 3.12Å; H156-H238 PolarHBondContact O-N 3.42Å; H156-H238 PolarHBondContact O-ND1 3.28Å
157L96.7Very high96.8Very high15 Ų1511.9 Ų11.98%0.0797%0.067CC..EExtended strand (participates in β ladder)trans-114.4157.5159.968.268.8000110.7T159 S196 V197 W237L157-T159 HydrophobicContact CD1-CG2 4.15Å; L157-S196 WeakPolarHBondContact O-CA 3.37Å; L157-V197 HydrophobicContact CD1-CB 3.79Å; L157-V197 HydrophobicContact CD1-CG2 3.66Å; L157-V197 HydrophobicContact CG-CB 4.01Å; L157-V197 HydrophobicContact CG-CG2 4.4Å; L157-V197 PolarHBondContact N-O 3.3Å; L157-V197 PolarHBondContact O-N 2.85Å; L157-W237 HydrophobicContact CB-CD2 3.85Å; L157-W237 HydrophobicContact CB-CE3 4.22Å; L157-W237 HydrophobicContact CB-CG 4.02Å; L157-W237 HydrophobicContact CD2-CD2 4.03Å; L157-W237 HydrophobicContact CD2-CG 4.38Å; L157-W237 HydrophobicContact CD2-CH2 4.36Å; L157-W237 HydrophobicContact CD2-CZ2 3.53Å; L157-W237 VanDerWaalsContact CD2-NE1 3.35Å; L157-W237 HydrophobicContact CG-CD2 4.07Å; L157-W237 HydrophobicContact CG-CE3 4.42Å; L157-W237 HydrophobicContact CG-CH2 4.21Å; L157-W237 HydrophobicContact CG-CZ2 3.86Å; L157-W237 HydrophobicContact CG-CZ3 4.48Å
158D95.1Very high96.8Very high7 Ų712.3 Ų12.34%0.0377%0.069CC..EExtended strand (participates in β ladder)trans-91.8121.1174.9-67.3-29.2000109.7H156 Y160 S195 H235 H238 W253H156-D158 IonicContact CD2-OD1 2.58Å; H156-D158 IonicContact NE2-OD1 3.73Å; D158-Y160 VanDerWaalsContact C-N 3.29Å; D158-Y160 PolarHBondContact O-N 2.68Å; D158-S195 CarbonylContact C-O 3.51Å; D158-S195 WeakPolarHBondContact CA-O 3.26Å; D158-H235 PolarHBondContact O-CD2 2.65Å; D158-H235 VanDerWaalsContact O-CD2 3.28Å; D158-H238 IonicContact OD1-CE1 3.06Å; D158-H238 IonicContact OD2-CE1 2.81Å; D158-H238 PolarHBondContact OD2-CE1 2.95Å; D158-H238 VanDerWaalsContact OD2-CE1 3.24Å; D158-W253 HydrophobicContact CB-CH2 3.15Å; D158-W253 HydrophobicContact CB-CZ2 3.96Å; D158-W253 HydrophobicContact CB-CZ3 3.74Å; D158-W253 WeakPolarHBondContact OD1-CH2 3.49Å; D158-W253 WeakPolarHBondContact OD1-CZ3 3.33Å; D158-W253 WeakPolarHBondContact OD2-CZ3 3.4Å
159T91.6Very high96.8Very high18 Ų1814.5 Ų14.511%0.118%0.079CC..SBendtrans-71.7-22.5-172.460.40000113.6L157 S195 V197 R234 H235 E266L157-T159 HydrophobicContact CD1-CG2 4.15Å; T159-S195 PolarHBondContact N-O 3.15Å; T159-S195 WeakPolarHBondContact OG1-CA 3.49Å; T159-S195 PolarHBondContact OG1-O 3.31Å; T159-V197 HydrophobicContact CG2-CG2 3.6Å; T159-R234 PolarHBondContact O-NH2 3.39Å; T159-H235 PolarHBondContact O-NE2 3.16Å; T159-E266 PolarHBondContact OG1-OE2 2.81Å
160Y91.5Very high96.8Very high14 Ų1410 Ų106%0.0556%0.062CC..SBendtrans-146.4171.8176.455.7-101.3000111.3D158 S195 W253 R263 E266D158-Y160 VanDerWaalsContact C-N 3.29Å; D158-Y160 PolarHBondContact O-N 2.68Å; Y160-S195 VanDerWaalsContact CE1-CB 3.49Å; Y160-S195 VanDerWaalsContact CZ-CB 3.43Å; Y160-S195 WeakPolarHBondContact OH-CB 3.34Å; Y160-W253 HydrophobicContact CD2-CZ2 4.09Å; Y160-W253 AromaticContact CD2-NE1 3.7Å; Y160-W253 HydrophobicContact CE2-CZ2 4.14Å; Y160-W253 AromaticContact CE2-NE1 3.64Å; Y160-W253 WeakPolarHBondContact O-CZ2 3.35Å; Y160-R263 HydrophobicContact CD1-CG 4.11Å; Y160-R263 HydrophobicContact CE1-CG 4.31Å; Y160-R263 HydrophobicContact CG-CG 4.28Å; Y160-E266 HydrophobicContact CE1-CB 4.34Å; Y160-E266 HydrophobicContact CE1-CG 4.15Å
161G93.5Very high96.9Very high0 Ų013.1 Ų13.10%07%0.065CC..SBendtrans67.9-175.6179.600000114.5R234 I254 D259G161-R234 VanDerWaalsContact O-CA 3.25Å; G161-R234 WeakPolarHBondContact O-CA 3.2Å; G161-R234 WeakPolarHBondContact O-CB 3.34Å; G161-R234 VanDerWaalsContact O-CG 3.31Å; G161-R234 WeakPolarHBondContact O-CG 3.31Å; G161-I254 CarbonylContact C-O 3.46Å; G161-I254 WeakPolarHBondContact CA-O 3.43Å; G161-D259 WeakPolarHBondContact CA-OD2 3.33Å; G161-D259 VanDerWaalsContact N-CG 3.31Å; G161-D259 PolarHBondContact N-OD1 2.79Å; G161-D259 PolarHBondContact N-OD2 3.49Å
162C95.4Very high97Very high5 Ų513.2 Ų13.23%0.0347%0.066CC..EExtended strand (participates in β ladder)trans-140.3164.6169.663.80000110.2Y231 V232 I254 L256C162-Y231 HydrophobicContact CB-CE2 3.84Å; C162-V232 WeakPolarHBondContact CB-O 3.33Å; C162-I254 PolarHBondContact N-O 3.05Å; C162-I254 PolarHBondContact O-N 3.27Å; C162-L256 HydrophobicContact CB-CD1 4.46Å
163N97.4Very high97Very high12 Ų1216.5 Ų16.56%0.0648%0.077CC..EExtended strand (participates in β ladder)trans-118.9135.9-172.3-155-7.5000112.1V165 Y231 V232 N251 S252 W253N163-V165 HydrophobicContact CB-CG2 4.5Å; N163-Y231 WeakPolarHBondContact O-CA 3.13Å; N163-V232 HydrophobicContact CB-CB 4.07Å; N163-V232 HydrophobicContact CB-CG2 4.5Å; N163-V232 PolarHBondContact N-O 2.88Å; N163-V232 PolarHBondContact O-N 3.35Å; N163-N251 PolarHBondContact ND2-ND2 3.32Å; N163-N251 WeakPolarHBondContact OD1-CB 3.32Å; N163-N251 PolarHBondContact OD1-ND2 3.17Å; N163-S252 PolarHBondContact OD1-O 3.5Å; N163-W253 HydrophobicContact CB-CE3 4.37Å
164L98.5Very high97.1Very high1 Ų116.8 Ų16.81%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-112.4119166.3-71.5174.6000108.8L19 W129 F132 F134 V229 L230 Y231 N251 S252 I254L19-L164 HydrophobicContact CD1-CD1 4.38Å; L19-L164 HydrophobicContact CD2-CD2 4.02Å; W129-L164 HydrophobicContact CE3-CB 4.26Å; W129-L164 HydrophobicContact CE3-CD1 4.02Å; W129-L164 HydrophobicContact CH2-CB 3.99Å; W129-L164 HydrophobicContact CZ3-CB 3.74Å; W129-L164 HydrophobicContact CZ3-CD1 4.21Å; F132-L164 HydrophobicContact CB-CD1 4.19Å; F132-L164 HydrophobicContact CD1-CD1 4.14Å; F132-L164 HydrophobicContact CD1-CD2 4.22Å; F132-L164 HydrophobicContact CE1-CD2 4.46Å; F132-L164 HydrophobicContact CG-CD1 4.34Å; F134-L164 HydrophobicContact CD2-CD1 4.08Å; F134-L164 HydrophobicContact CE2-CD1 3.55Å; F134-L164 HydrophobicContact CZ-CD1 4.36Å; L164-V229 HydrophobicContact CB-CG1 4.35Å; L164-V229 HydrophobicContact CD2-CG1 4.09Å; L164-L230 WeakPolarHBondContact CA-O 3.28Å; L164-Y231 HydrophobicContact CD2-CD2 3.8Å; L164-Y231 HydrophobicContact CD2-CG 4.43Å; L164-N251 CarbonylContact O-C 3.59Å; L164-N251 WeakPolarHBondContact O-CA 3.39Å; L164-N251 VanDerWaalsContact O-CB 3.31Å; L164-N251 WeakPolarHBondContact O-CB 3.12Å; L164-S252 PolarHBondContact N-O 2.99Å; L164-S252 VanDerWaalsContact N-O 3.12Å; L164-S252 PolarHBondContact O-N 3.21Å; L164-I254 HydrophobicContact CD1-CG1 4.31Å; L164-I254 HydrophobicContact CG-CG1 4.5Å
165V98.8Very high97.3Very high3 Ų317.7 Ų17.72%0.0188%0.082CC..EExtended strand (participates in β ladder)trans-119.1113.7-174.5-171.30000110.3N163 W174 L224 V229 L230 N251N163-V165 HydrophobicContact CB-CG2 4.5Å; V165-W174 HydrophobicContact CB-CZ2 4.29Å; V165-W174 HydrophobicContact CG1-CH2 4.37Å; V165-W174 HydrophobicContact CG1-CZ2 3.83Å; V165-W174 HydrophobicContact CG2-CH2 3.85Å; V165-W174 HydrophobicContact CG2-CZ2 4.11Å; V165-L224 HydrophobicContact CG1-CD2 4.36Å; V165-V229 CarbonylContact O-C 3.57Å; V165-V229 VanDerWaalsContact O-CA 3.24Å; V165-V229 WeakPolarHBondContact O-CA 3.35Å; V165-L230 HydrophobicContact CB-CB 4.41Å; V165-L230 PolarHBondContact N-O 3.39Å; V165-L230 PolarHBondContact O-N 3.2Å; V165-N251 HydrophobicContact CB-CB 4.21Å; V165-N251 HydrophobicContact CG1-CB 4.19Å; V165-N251 HydrophobicContact CG2-CB 3.86Å
166L98.9Very high97.3Very high0 Ų017.6 Ų17.60%08%0.081CC..EExtended strand (participates in β ladder)trans-91.5124.4171.3173.455.7000110.5T32 W35 V37 L38 W129 V168 Q228 V229 S249 V250T32-L166 HydrophobicContact CG2-CD1 3.79Å; T32-L166 HydrophobicContact CG2-CD2 4.31Å; W35-L166 HydrophobicContact CE3-CD2 3.91Å; W35-L166 HydrophobicContact CZ3-CD2 4.12Å; V37-L166 HydrophobicContact CG1-CD2 3.52Å; L38-L166 HydrophobicContact CD2-CD1 4.09Å; L38-L166 HydrophobicContact CD2-CD2 4.31Å; W129-L166 HydrophobicContact CH2-CB 4.01Å; L166-V168 HydrophobicContact CD2-CG2 4.26Å; L166-V168 HydrophobicContact CG-CG2 4.07Å; L166-Q228 WeakPolarHBondContact CD1-O 3.3Å; L166-V229 HydrophobicContact CB-CG2 4.17Å; L166-V229 HydrophobicContact CD1-CG2 3.91Å; L166-S249 CarbonylContact O-C 3.58Å; L166-S249 VanDerWaalsContact O-CA 3.24Å; L166-S249 WeakPolarHBondContact O-CA 3.49Å; L166-S249 WeakPolarHBondContact O-CB 3.29Å; L166-V250 WeakPolarHBondContact CA-O 3.44Å; L166-V250 PolarHBondContact N-O 3.28Å; L166-V250 PolarHBondContact O-N 3.37Å
167Q98.9Very high97.3Very high0 Ų017.5 Ų17.50%08%0.08CC..EExtended strand (participates in β ladder)trans-85.5126.1166.8-168.967.721.700110.2Q169 G170 L224 E225 P226 G227 Q228 V248Q167-Q169 PolarHBondContact NE2-O 3.48Å; Q167-G170 WeakPolarHBondContact CG-O 3.4Å; Q167-G170 PolarHBondContact NE2-O 2.81Å; Q167-L224 HydrophobicContact CB-CB 4.43Å; Q167-L224 HydrophobicContact CB-CD2 3.86Å; Q167-L224 HydrophobicContact CB-CG 3.81Å; Q167-E225 WeakPolarHBondContact CB-O 3.24Å; Q167-P226 CarbonylContact O-C 3.59Å; Q167-P226 WeakPolarHBondContact O-CA 3.29Å; Q167-G227 PolarHBondContact O-N 2.78Å; Q167-Q228 PolarHBondContact N-O 2.86Å; Q167-Q228 VanDerWaalsContact N-O 3.1Å; Q167-V248 PolarHBondContact NE2-O 3.06Å
168V98.8Very high97.4Very high9 Ų916.9 Ų16.96%0.0558%0.077CC..EExtended strand (participates in β ladder)trans-105.3-47.9-175.7174.70000111.7V37 W40 L166 V248 V250V37-V168 HydrophobicContact CG2-CG2 4.3Å; V37-V168 VanDerWaalsContact O-CG1 3.23Å; V37-V168 WeakPolarHBondContact O-CG1 3.21Å; W40-V168 HydrophobicContact CB-CG1 4.13Å; W40-V168 WeakPolarHBondContact O-CG1 3.35Å; L166-V168 HydrophobicContact CD2-CG2 4.26Å; L166-V168 HydrophobicContact CG-CG2 4.07Å; V168-V248 WeakPolarHBondContact CA-O 3.37Å; V168-V248 HydrophobicContact CB-CB 4.22Å; V168-V248 HydrophobicContact CB-CG1 4.12Å; V168-V248 WeakPolarHBondContact CB-O 3.42Å; V168-V248 HydrophobicContact CG1-CG1 4.39Å; V168-V248 PolarHBondContact N-O 3.44Å; V168-V250 HydrophobicContact CG2-CG2 4.25Å
169Q98.8Very high97.4Very high50 Ų5018.3 Ų18.323%0.2349%0.087CC..EExtended strand (participates in β ladder)trans-134.5140.2-179.5-177.8-175.98.900110T41 Q167 T247 V248T41-Q169 VanDerWaalsContact CA-OE1 3.28Å; Q167-Q169 PolarHBondContact NE2-O 3.48Å; Q169-T247 CarbonylContact O-C 3.6Å; Q169-T247 WeakPolarHBondContact O-CA 3.34Å; Q169-V248 HydrophobicContact CB-CB 3.84Å; Q169-V248 HydrophobicContact CB-CG2 3.97Å; Q169-V248 PolarHBondContact N-O 3.06Å; Q169-V248 PolarHBondContact O-N 2.96Å
170G98.8Very high97.7Very high14 Ų1423.8 Ų23.814%0.14411%0.111CC..SBendtrans60.5-176.3-17900000112.3Q167 D244Q167-G170 WeakPolarHBondContact CG-O 3.4Å; Q167-G170 PolarHBondContact NE2-O 2.81Å; G170-D244 WeakPolarHBondContact CA-OD2 3.37Å
171R98.9Very high97.9Very high92 Ų9223.2 Ų23.235%0.34711%0.109SC..  trans-113.4144.2-177-62170-62.6169.22.9112.1T223 L224 E225 I243 D244 T247R171-T223 HydrophobicContact CB-CG2 3.88Å; R171-T223 HydrophobicContact CG-CG2 4.29Å; R171-L224 WeakPolarHBondContact CA-O 3.42Å; R171-E225 WeakPolarHBondContact CD-OE1 3.42Å; R171-E225 WeakPolarHBondContact CD-OE2 3.45Å; R171-E225 WeakPolarHBondContact CG-OE2 3.49Å; R171-I243 HydrophobicContact CB-CD1 3.89Å; R171-I243 HydrophobicContact CB-CG1 3.76Å; R171-I243 VanDerWaalsContact O-CG1 3.31Å; R171-I243 WeakPolarHBondContact O-CG1 3.29Å; R171-I243 PolarHBondContact O-N 3.14Å; R171-I243 VanDerWaalsContact O-N 3.1Å; R171-D244 VanDerWaalsContact CB-OD2 3.31Å; R171-D244 WeakPolarHBondContact CB-OD2 3.25Å; R171-D244 VanDerWaalsContact CG-OD2 3.26Å; R171-D244 WeakPolarHBondContact CG-OD2 3.34Å; R171-D244 IonicContact CZ-OD1 3.76Å; R171-D244 IonicContact CZ-OD2 3.44Å; R171-D244 PolarHBondContact N-OD2 3.11Å; R171-D244 IonicContact NE-OD1 3.23Å; R171-D244 PolarHBondContact NE-OD1 3.36Å; R171-D244 IonicContact NE-OD2 3.82Å; R171-D244 PolarHBondContact NE-OD2 3.22Å; R171-D244 IonicContact NH2-OD1 3.19Å; R171-D244 PolarHBondContact NH2-OD1 2.76Å; R171-D244 IonicContact NH2-OD2 2.77Å; R171-T247 VanDerWaalsContact O-CG2 3.32Å; R171-T247 WeakPolarHBondContact O-CG2 3.13Å
172K98.8Very high98.1Very high2 Ų225.5 Ų25.51%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-118.3138.5168.9-78.1-177.8169.1-177.40110Y107 T223 L224 V240 E241 S242 T247 S249Y107-K172 PolarHBondContact OH-NZ 2.87Å; K172-T223 WeakPolarHBondContact O-CA 3.28Å; K172-L224 PolarHBondContact N-O 3.01Å; K172-L224 PolarHBondContact O-N 3.39Å; K172-V240 HydrophobicContact CB-CG2 3.98Å; K172-V240 HydrophobicContact CD-CG2 3.9Å; K172-V240 HydrophobicContact CG-CG2 4.3Å; K172-E241 CarbonylContact C-O 3.59Å; K172-E241 VanDerWaalsContact CA-O 3.24Å; K172-E241 WeakPolarHBondContact CA-O 3.45Å; K172-S242 WeakPolarHBondContact CE-OG 3.35Å; K172-T247 HydrophobicContact CG-CG2 4.34Å; K172-S249 PolarHBondContact NZ-OG 3.41Å
173R98.7Very high98.1Very high89 Ų8928.4 Ų28.434%0.33615%0.147SC..EExtended strand (participates in β ladder)trans-97.7131.7171.8-176.9176.1-65.6137.9-5.1109.6H175 T221 V240 E241 I243R173-H175 WeakPolarHBondContact CD-NE2 3.18Å; R173-T221 HydrophobicContact CG-CG2 4.01Å; R173-V240 WeakPolarHBondContact O-CA 3.27Å; R173-E241 HydrophobicContact CB-CG 3.85Å; R173-E241 IonicContact CZ-OE1 3.83Å; R173-E241 PolarHBondContact N-O 2.88Å; R173-E241 IonicContact NH1-OE1 2.76Å; R173-E241 PolarHBondContact NH1-OE1 3.19Å; R173-E241 PolarHBondContact O-N 3.25Å; R173-I243 HydrophobicContact CB-CG2 3.85Å
174W98.7Very high98.1Very high10 Ų1030.4 Ų30.44%0.03816%0.156CC..EExtended strand (participates in β ladder)trans-112.8130.8178.5-68.675.1000109.6V165 L176 T221 V222 L230 V232 H238 Y239 V240V165-W174 HydrophobicContact CB-CZ2 4.29Å; V165-W174 HydrophobicContact CG1-CH2 4.37Å; V165-W174 HydrophobicContact CG1-CZ2 3.83Å; V165-W174 HydrophobicContact CG2-CH2 3.85Å; V165-W174 HydrophobicContact CG2-CZ2 4.11Å; W174-L176 HydrophobicContact CB-CD1 3.84Å; W174-L176 HydrophobicContact CB-CG 4.45Å; W174-T221 VanDerWaalsContact O-CA 3.29Å; W174-T221 WeakPolarHBondContact O-CA 3.36Å; W174-T221 WeakPolarHBondContact O-CG2 3.25Å; W174-V222 HydrophobicContact CB-CG1 3.92Å; W174-V222 PolarHBondContact N-O 3.2Å; W174-V222 PolarHBondContact O-N 2.86Å; W174-L230 HydrophobicContact CB-CD2 4.23Å; W174-L230 HydrophobicContact CD2-CD2 3.42Å; W174-L230 VanDerWaalsContact CD2-CD2 3.42Å; W174-L230 HydrophobicContact CE3-CD2 3.65Å; W174-L230 HydrophobicContact CG-CD2 3.66Å; W174-L230 HydrophobicContact CZ2-CD2 4.45Å; W174-L230 HydrophobicContact CZ3-CD2 4.24Å; W174-V232 HydrophobicContact CZ3-CG2 4.16Å; W174-H238 HydrophobicContact CE3-CB 4.21Å; W174-H238 HydrophobicContact CZ3-CB 4.31Å; W174-H238 AromaticContact CZ3-CD2 3.56Å; W174-Y239 CarbonylContact C-O 3.53Å; W174-Y239 WeakPolarHBondContact CA-O 3.41Å; W174-V240 HydrophobicContact CD2-CB 3.94Å; W174-V240 HydrophobicContact CD2-CG2 3.86Å; W174-V240 VanDerWaalsContact CE2-CG2 3.43Å; W174-V240 HydrophobicContact CE3-CB 4.09Å; W174-V240 HydrophobicContact CE3-CG2 4.47Å; W174-V240 HydrophobicContact CG-CB 4.49Å; W174-V240 HydrophobicContact CG-CG2 4.23Å; W174-V240 HydrophobicContact CH2-CB 4.19Å; W174-V240 HydrophobicContact CH2-CG1 4.29Å; W174-V240 HydrophobicContact CH2-CG2 4.29Å; W174-V240 HydrophobicContact CZ2-CB 4.04Å; W174-V240 HydrophobicContact CZ2-CG1 4.41Å; W174-V240 HydrophobicContact CZ2-CG2 3.65Å; W174-V240 HydrophobicContact CZ3-CB 4.23Å
175H98.5Very high98Very high22 Ų2230.4 Ų30.410%0.10216%0.155CC..EExtended strand (participates in β ladder)trans-113.7108.1169-65.7-102.1000107.4R173 F177 L204 T221 H238 Y239R173-H175 WeakPolarHBondContact CD-NE2 3.18Å; H175-F177 HydrophobicContact CB-CE2 4.25Å; H175-L204 WeakPolarHBondContact NE2-CD2 3.31Å; H175-T221 PolarHBondContact ND1-OG1 3.36Å; H175-H238 CarbonylContact O-C 3.49Å; H175-H238 VanDerWaalsContact O-CA 3.29Å; H175-H238 WeakPolarHBondContact O-CA 3.23Å; H175-Y239 HydrophobicContact CB-CD1 4.45Å; H175-Y239 AromaticContact CD2-CD1 3.87Å; H175-Y239 PolarHBondContact N-O 3.41Å; H175-Y239 PolarHBondContact O-N 2.78Å
176L98.7Very high97.9Very high0 Ų032.4 Ų32.40%016%0.163CC..EExtended strand (participates in β ladder)trans-107.4145.7-177.1-55.1110.6000110.1P25 W174 H220 V222 V232 W236 W237 H238 V359P25-L176 HydrophobicContact CB-CD1 4.47Å; P25-L176 HydrophobicContact CB-CD2 4.04Å; P25-L176 HydrophobicContact CG-CB 4.3Å; P25-L176 HydrophobicContact CG-CD2 3.84Å; P25-L176 HydrophobicContact CG-CG 4.49Å; W174-L176 HydrophobicContact CB-CD1 3.84Å; W174-L176 HydrophobicContact CB-CG 4.45Å; L176-H220 HydrophobicContact CB-CB 4.2Å; L176-H220 PolarHBondContact N-O 2.74Å; L176-H220 WeakPolarHBondContact O-CB 3.4Å; L176-H220 PolarHBondContact O-N 3.28Å; L176-V222 HydrophobicContact CD1-CG1 4.16Å; L176-V232 HydrophobicContact CD2-CG1 4.05Å; L176-V232 HydrophobicContact CD2-CG2 4.06Å; L176-W236 HydrophobicContact CB-CE3 3.99Å; L176-W236 HydrophobicContact CB-CZ3 4.33Å; L176-W237 CarbonylContact C-O 3.3Å; L176-W237 WeakPolarHBondContact CA-O 3.35Å; L176-H238 HydrophobicContact CD2-CB 4.09Å; L176-H238 HydrophobicContact CG-CB 4.26Å; L176-V359 HydrophobicContact CD1-CG1 4.14Å
177F98.4Very high97.6Very high4 Ų434.6 Ų34.62%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-132.6139.7175.3-49.5-100.7000109.4H175 L185 V203 F214 A217 A219 W236 W237H175-F177 HydrophobicContact CB-CE2 4.25Å; F177-L185 HydrophobicContact CB-CD1 3.89Å; F177-L185 HydrophobicContact CD1-CD2 4.36Å; F177-L185 HydrophobicContact CD2-CD1 4.17Å; F177-L185 HydrophobicContact CD2-CD2 4.45Å; F177-L185 HydrophobicContact CG-CD1 4.07Å; F177-L185 HydrophobicContact CG-CD2 4.3Å; F177-V203 HydrophobicContact CE2-CB 4.25Å; F177-V203 HydrophobicContact CE2-CG1 4.08Å; F177-V203 HydrophobicContact CZ-CB 4.09Å; F177-V203 HydrophobicContact CZ-CG1 4.21Å; F177-F214 HydrophobicContact CE1-CE2 4.28Å; F177-F214 HydrophobicContact CE1-CZ 4.19Å; F177-F214 HydrophobicContact CZ-CE2 4.28Å; F177-F214 HydrophobicContact CZ-CZ 4.09Å; F177-A217 HydrophobicContact CD1-CB 3.97Å; F177-A217 HydrophobicContact CE1-CB 4.15Å; F177-A219 HydrophobicContact CD1-CB 4.31Å; F177-A219 HydrophobicContact CE1-CB 3.7Å; F177-A219 HydrophobicContact CZ-CB 4.2Å; F177-W236 VanDerWaalsContact C-CE3 3.46Å; F177-W237 HydrophobicContact CB-CB 4Å; F177-W237 HydrophobicContact CD2-CB 4.25Å; F177-W237 PolarHBondContact N-O 3.1Å; F177-W237 PolarHBondContact O-N 2.95Å
178P97.9Very high97.3Very high2 Ų235.3 Ų35.31%0.01318%0.182CC..  trans-69.9154.8-176.730.9-37.2000111.3E180 D181 R218 W236P178-E180 VanDerWaalsContact CB-OE2 3.31Å; P178-E180 WeakPolarHBondContact CB-OE2 3.16Å; P178-E180 PolarHBondContact O-N 3.28Å; P178-D181 HydrophobicContact CG-CB 4.43Å; P178-D181 PolarHBondContact O-N 3Å; P178-R218 WeakPolarHBondContact CD-O 3.49Å; P178-W236 HydrophobicContact CB-CE3 4.44Å; P178-W236 HydrophobicContact CB-CH2 3.66Å; P178-W236 HydrophobicContact CB-CZ2 3.8Å; P178-W236 HydrophobicContact CB-CZ3 3.99Å; P178-W236 HydrophobicContact CG-CH2 4.5Å
179P96.8Very high96.8Very high37 Ų3735.6 Ų35.624%0.2418%0.182CC..G310 helixtrans-55.1-29.3-179.6-2532.2000114.1D181 T182 H235P179-D181 PolarHBondContact O-N 3.35Å; P179-T182 WeakPolarHBondContact O-CB 3.29Å; P179-T182 PolarHBondContact O-N 2.98Å; P179-T182 VanDerWaalsContact O-N 3.14Å; P179-T182 PolarHBondContact O-OG1 3.13Å; P179-H235 HydrophobicContact CB-CB 4.18Å; P179-H235 HydrophobicContact CG-CB 3.9Å
180E96.5Very high96.1Very high133 Ų13334.8 Ų34.862%0.62118%0.179SC*.G310 helixtrans-68.2-13.8179-4481.2-142.900113.5P178 T182 R218P178-E180 VanDerWaalsContact CB-OE2 3.31Å; P178-E180 WeakPolarHBondContact CB-OE2 3.16Å; P178-E180 PolarHBondContact O-N 3.28Å; E180-T182 VanDerWaalsContact C-N 3.35Å; E180-R218 IonicContact OE2-CZ 3.31Å; E180-R218 IonicContact OE2-NH1 3.55Å; E180-R218 IonicContact OE2-NH2 3.06Å; E180-R218 PolarHBondContact OE2-NH2 2.91Å
181D97.3Very high95.6Very high2 Ų234.4 Ų34.41%0.01117%0.174CC..G310 helixtrans-91.44.5176.3-69.3-10.4000113.1P178 P179 A183 K184 L185 R218P178-D181 HydrophobicContact CG-CB 4.43Å; P178-D181 PolarHBondContact O-N 3Å; P179-D181 PolarHBondContact O-N 3.35Å; D181-A183 VanDerWaalsContact C-N 3.31Å; D181-A183 PolarHBondContact O-N 3.05Å; D181-A183 VanDerWaalsContact O-N 3.15Å; D181-K184 HydrophobicContact CB-CD 4.15Å; D181-K184 WeakPolarHBondContact O-CA 3.49Å; D181-K184 VanDerWaalsContact O-CB 3.28Å; D181-K184 WeakPolarHBondContact O-CB 3.24Å; D181-K184 PolarHBondContact O-N 3.23Å; D181-K184 IonicContact OD1-NZ 3.54Å; D181-K184 PolarHBondContact OD1-NZ 2.78Å; D181-L185 PolarHBondContact O-N 2.87Å; D181-R218 IonicContact OD1-CZ 3.92Å; D181-R218 IonicContact OD1-NE 4Å; D181-R218 PolarHBondContact OD1-NE 3.12Å; D181-R218 IonicContact OD1-NH2 3.37Å; D181-R218 PolarHBondContact OD1-NH2 2.75Å; D181-R218 VanDerWaalsContact OD2-CB 3.31Å; D181-R218 WeakPolarHBondContact OD2-CB 3.49Å; D181-R218 IonicContact OD2-CZ 3.9Å; D181-R218 PolarHBondContact OD2-N 3.35Å; D181-R218 IonicContact OD2-NE 2.68Å; D181-R218 PolarHBondContact OD2-NE 3.23Å; D181-R218 IonicContact OD2-NH2 3.44Å
182T96.2Very high95.1Very high48 Ų4830 Ų3029%0.29416%0.157SC..G310 helixtrans-45.6-48.5-179.6-69.40000113.7P179 E180 K184 L185 P187 W237P179-T182 WeakPolarHBondContact O-CB 3.29Å; P179-T182 PolarHBondContact O-N 2.98Å; P179-T182 VanDerWaalsContact O-N 3.14Å; P179-T182 PolarHBondContact O-OG1 3.13Å; E180-T182 VanDerWaalsContact C-N 3.35Å; T182-K184 PolarHBondContact O-N 3.04Å; T182-L185 PolarHBondContact O-N 3.31Å; T182-L185 VanDerWaalsContact O-N 3.07Å; T182-P187 HydrophobicContact CG2-CG 4.38Å; T182-W237 HydrophobicContact CG2-CZ2 3.92Å; T182-W237 PolarHBondContact OG1-NE1 3.12Å
183A95.1Very high94.6Very high66 Ų6630.3 Ų30.355%0.54516%0.159SC..G310 helixtrans-62.9-29.1-179.500000113.1D181 L185D181-A183 VanDerWaalsContact C-N 3.31Å; D181-A183 PolarHBondContact O-N 3.05Å; D181-A183 VanDerWaalsContact O-N 3.15Å; A183-L185 VanDerWaalsContact C-N 3.28Å
184K97.4Very high94.1Very high55 Ų5528.5 Ų28.524%0.23915%0.154CC..G310 helixtrans-78.7-14.8179.4-52173.8-172.8162.10112.5D181 T182 Y186 F214 G216 A217D181-K184 HydrophobicContact CB-CD 4.15Å; D181-K184 WeakPolarHBondContact O-CA 3.49Å; D181-K184 VanDerWaalsContact O-CB 3.28Å; D181-K184 WeakPolarHBondContact O-CB 3.24Å; D181-K184 PolarHBondContact O-N 3.23Å; D181-K184 IonicContact OD1-NZ 3.54Å; D181-K184 PolarHBondContact OD1-NZ 2.78Å; T182-K184 PolarHBondContact O-N 3.04Å; K184-Y186 VanDerWaalsContact O-CD2 3.25Å; K184-Y186 WeakPolarHBondContact O-CD2 2.92Å; K184-Y186 WeakPolarHBondContact O-CE2 3.26Å; K184-F214 WeakPolarHBondContact O-CA 3.39Å; K184-G216 WeakPolarHBondContact CD-O 3.31Å; K184-G216 WeakPolarHBondContact CE-O 3.41Å; K184-G216 PolarHBondContact NZ-O 3.24Å; K184-A217 HydrophobicContact CB-CB 4.17Å; K184-A217 HydrophobicContact CD-CB 4.29Å
185L97.6Very high93.5Very high0 Ų029 Ų290%016%0.159CC..G310 helixtrans-96.7-0.1-179.2-64.4-174.1000113.6F177 D181 T182 A183 S199 F214 A217 W237F177-L185 HydrophobicContact CB-CD1 3.89Å; F177-L185 HydrophobicContact CD1-CD2 4.36Å; F177-L185 HydrophobicContact CD2-CD1 4.17Å; F177-L185 HydrophobicContact CD2-CD2 4.45Å; F177-L185 HydrophobicContact CG-CD1 4.07Å; F177-L185 HydrophobicContact CG-CD2 4.3Å; D181-L185 PolarHBondContact O-N 2.87Å; T182-L185 PolarHBondContact O-N 3.31Å; T182-L185 VanDerWaalsContact O-N 3.07Å; A183-L185 VanDerWaalsContact C-N 3.28Å; L185-S199 WeakPolarHBondContact O-CA 3.34Å; L185-S199 VanDerWaalsContact O-CB 3.3Å; L185-S199 WeakPolarHBondContact O-CB 3.24Å; L185-S199 PolarHBondContact O-OG 2.84Å; L185-F214 HydrophobicContact CD2-CD2 3.58Å; L185-F214 HydrophobicContact CD2-CE2 3.35Å; L185-A217 HydrophobicContact CD2-CB 4.28Å; L185-W237 HydrophobicContact CB-CD2 4.29Å; L185-W237 HydrophobicContact CB-CE3 4.32Å; L185-W237 HydrophobicContact CB-CZ2 4.45Å; L185-W237 HydrophobicContact CB-CZ3 4.42Å; L185-W237 HydrophobicContact CD1-CB 3.44Å; L185-W237 VanDerWaalsContact CD1-CB 3.44Å; L185-W237 HydrophobicContact CD1-CD2 3.24Å; L185-W237 HydrophobicContact CD1-CE3 3.7Å; L185-W237 HydrophobicContact CD1-CG 3.12Å; L185-W237 HydrophobicContact CG-CD2 4.38Å
186Y95.6Very high93.3Very high45 Ų4528.1 Ų28.118%0.17616%0.155CC..  trans5267.4174.8-61.9-97.3000111.5K184 Q200 V201 F211 P212 Q213 F214K184-Y186 VanDerWaalsContact O-CD2 3.25Å; K184-Y186 WeakPolarHBondContact O-CD2 2.92Å; K184-Y186 WeakPolarHBondContact O-CE2 3.26Å; Y186-Q200 WeakPolarHBondContact O-CG 3.47Å; Y186-Q200 PolarHBondContact O-N 2.95Å; Y186-V201 HydrophobicContact CD2-CG2 3.56Å; Y186-V201 HydrophobicContact CE2-CG2 4.41Å; Y186-V201 HydrophobicContact CG-CG2 4.18Å; Y186-F211 AromaticContact CD1-CD1 3.7Å; Y186-F211 HydrophobicContact CD1-CD1 3.7Å; Y186-F211 HydrophobicContact CD1-CE1 4.26Å; Y186-F211 HydrophobicContact CD2-CB 3.91Å; Y186-F211 AromaticContact CD2-CD1 3.69Å; Y186-F211 HydrophobicContact CD2-CD1 3.69Å; Y186-F211 HydrophobicContact CD2-CG 4.14Å; Y186-F211 AromaticContact CE1-CD1 3.96Å; Y186-F211 HydrophobicContact CE1-CD1 3.96Å; Y186-F211 HydrophobicContact CE2-CB 3.55Å; Y186-F211 AromaticContact CE2-CD1 3.97Å; Y186-F211 HydrophobicContact CE2-CD1 3.97Å; Y186-F211 HydrophobicContact CE2-CG 4.21Å; Y186-F211 AromaticContact CG-CD1 3.55Å; Y186-F211 HydrophobicContact CG-CD1 3.55Å; Y186-F211 HydrophobicContact CG-CE1 4.13Å; Y186-F211 HydrophobicContact CG-CG 4.43Å; Y186-F211 VanDerWaalsContact OH-C 3.3Å; Y186-F211 WeakPolarHBondContact OH-CA 3.14Å; Y186-P212 VanDerWaalsContact OH-CD 3.29Å; Y186-P212 WeakPolarHBondContact OH-CD 3.46Å; Y186-Q213 HydrophobicContact CE2-CB 4.14Å; Y186-Q213 WeakPolarHBondContact OH-CB 3.49Å; Y186-Q213 WeakPolarHBondContact OH-CG 3.23Å; Y186-Q213 PolarHBondContact OH-N 3.11Å; Y186-F214 HydrophobicContact CE2-CB 4.47Å
187P94.4Very high93.1Very high46 Ų4629 Ų2930%0.29916%0.161SC..EExtended strand (participates in β ladder)trans-59.4145.6-174.825.4-34.7000111.2T182 V197 F198 Q200 W237T182-P187 HydrophobicContact CG2-CG 4.38Å; P187-V197 HydrophobicContact CB-CG1 3.66Å; P187-F198 CarbonylContact C-O 3.59Å; P187-F198 VanDerWaalsContact CA-O 3.29Å; P187-F198 WeakPolarHBondContact CA-O 3.44Å; P187-Q200 PolarHBondContact O-NE2 3.07Å; P187-W237 HydrophobicContact CB-CH2 3.81Å; P187-W237 HydrophobicContact CB-CZ2 4.17Å
188T90.9Very high93Very high15 Ų1528.9 Ų28.99%0.09216%0.16CC..EExtended strand (participates in β ladder)trans-142.1149168.6-177.90000109.9I190 F198 Q200T188-I190 WeakPolarHBondContact CG2-O 3.29Å; T188-I190 PolarHBondContact OG1-N 2.75Å; T188-I190 VanDerWaalsContact OG1-N 3.07Å; T188-I190 PolarHBondContact OG1-O 2.87Å; T188-F198 HydrophobicContact CG2-CB 3.98Å; T188-F198 PolarHBondContact N-O 2.76Å; T188-F198 PolarHBondContact O-N 2.61Å; T188-Q200 HydrophobicContact CG2-CG 3.59Å
189R88.2Confident92.9Very high15 Ų1528.8 Ų28.86%0.05716%0.159CC..EExtended strand (participates in β ladder)trans-99.89.5171.4-69.1-59-50.9-150.9-9.4111.9P191 Y192 E193 S196 E266 T269 V429R189-P191 CarbonylContact O-C 3.26Å; R189-P191 VanDerWaalsContact O-C 3.26Å; R189-Y192 WeakPolarHBondContact O-CA 3.48Å; R189-Y192 WeakPolarHBondContact O-CB 3.45Å; R189-Y192 PolarHBondContact O-N 2.88Å; R189-E193 PolarHBondContact NH2-O 3.19Å; R189-S196 PolarHBondContact NE-O 2.65Å; R189-S196 PolarHBondContact NH1-O 3.11Å; R189-E266 IonicContact CZ-OE1 2.82Å; R189-E266 IonicContact CZ-OE2 3.77Å; R189-E266 IonicContact NH1-OE1 3.83Å; R189-E266 IonicContact NH1-OE2 2.75Å; R189-E266 PolarHBondContact NH1-OE2 3.06Å; R189-E266 IonicContact NH2-OE1 3.59Å; R189-E266 PolarHBondContact NH2-OE1 2.82Å; R189-E266 IonicContact NH2-OE2 2.68Å; R189-T269 HydrophobicContact CG-CG2 4.41Å; R189-V429 HydrophobicContact CB-CB 4.09Å; R189-V429 HydrophobicContact CB-CG2 3.7Å; R189-V429 HydrophobicContact CG-CB 4.14Å; R189-V429 HydrophobicContact CG-CG2 4.03Å
190I84.7Confident92.9Very high33 Ų3331 Ų3117%0.16917%0.167CC..EExtended strand (participates in β ladder)trans-122.5125.2-177.4-54.5-62000109.9T188 L425T188-I190 WeakPolarHBondContact CG2-O 3.29Å; T188-I190 PolarHBondContact OG1-N 2.75Å; T188-I190 VanDerWaalsContact OG1-N 3.07Å; T188-I190 PolarHBondContact OG1-O 2.87Å; I190-L425 HydrophobicContact CD1-CD2 3.41Å; I190-L425 VanDerWaalsContact CD1-CD2 3.41Å; I190-L425 HydrophobicContact CD1-CG 4.12Å; I190-L425 HydrophobicContact CG1-CD2 4.12Å
191P87.5Confident92.9Very high6 Ų624.8 Ų24.84%0.03914%0.138CC..EExtended strand (participates in β ladder)cis-64144.8-529.7-35.4000111.9F69 T71 R189 F198 N290F69-P191 HydrophobicContact CB-CG 4.18Å; F69-P191 HydrophobicContact CD1-CG 4.42Å; F69-P191 HydrophobicContact CG-CG 4.3Å; T71-P191 HydrophobicContact CG2-CB 3.65Å; T71-P191 HydrophobicContact CG2-CG 3.97Å; R189-P191 CarbonylContact O-C 3.26Å; R189-P191 VanDerWaalsContact O-C 3.26Å; P191-F198 WeakPolarHBondContact O-CD2 3.3Å; P191-F198 VanDerWaalsContact O-CE2 3.29Å; P191-F198 WeakPolarHBondContact O-CE2 3.29Å; P191-N290 HydrophobicContact CB-CB 4.44Å
192Y89.1Confident92.8Very high1 Ų125.6 Ų25.60%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-75.7126.2178.1174.2-83.4000109.6R189 E266 T269 R270 V273 W288 L289 N290 E293R189-Y192 WeakPolarHBondContact O-CA 3.48Å; R189-Y192 WeakPolarHBondContact O-CB 3.45Å; R189-Y192 PolarHBondContact O-N 2.88Å; Y192-E266 PolarHBondContact OH-OE1 3.48Å; Y192-E266 VanDerWaalsContact OH-OE1 3.06Å; Y192-T269 HydrophobicContact CD2-CG2 4.11Å; Y192-T269 HydrophobicContact CE2-CG2 3.81Å; Y192-R270 HydrophobicContact CE1-CG 4.24Å; Y192-R270 HydrophobicContact CE2-CB 4.39Å; Y192-R270 VanDerWaalsContact OH-CB 3.22Å; Y192-R270 WeakPolarHBondContact OH-CB 3.31Å; Y192-V273 HydrophobicContact CD2-CB 4.38Å; Y192-V273 HydrophobicContact CD2-CG2 3.83Å; Y192-V273 HydrophobicContact CG-CB 4.43Å; Y192-V273 HydrophobicContact CG-CG1 4.14Å; Y192-V273 HydrophobicContact CG-CG2 4.23Å; Y192-W288 PolarHBondContact N-O 3.27Å; Y192-L289 HydrophobicContact CD1-CD2 3.89Å; Y192-L289 HydrophobicContact CG-CD2 4.35Å; Y192-N290 WeakPolarHBondContact O-CB 3.15Å; Y192-N290 PolarHBondContact O-N 2.87Å; Y192-E293 HydrophobicContact CD1-CG 4.43Å
193E89.6Confident92.8Very high8 Ų824 Ų244%0.03713%0.132CC..EExtended strand (participates in β ladder)trans-127.6137.4164.5178.3177.5-10200106.7R189 S195 S196 F198 N290 T292R189-E193 PolarHBondContact NH2-O 3.19Å; E193-S195 PolarHBondContact O-N 2.85Å; E193-S196 PolarHBondContact O-N 3.35Å; E193-S196 WeakPolarHBondContact OE2-CB 3.48Å; E193-S196 PolarHBondContact OE2-OG 3.26Å; E193-F198 HydrophobicContact CB-CE2 3.91Å; E193-F198 HydrophobicContact CB-CZ 4.05Å; E193-N290 HydrophobicContact CB-CB 3.8Å; E193-N290 HydrophobicContact CG-CB 4.46Å; E193-T292 WeakPolarHBondContact OE1-CB 3.31Å; E193-T292 PolarHBondContact OE1-OG1 3.23Å
194E86.3Confident92.8Very high51 Ų5123.8 Ų23.824%0.23812%0.121CC..THydrogen-bonded Turntrans-56.8134.6176.2-179.5176.3-135.600109.1S196 E266 R270 E293 Y305E194-S196 PolarHBondContact O-N 2.79Å; E194-E266 WeakPolarHBondContact CA-OE1 3.38Å; E194-E266 HydrophobicContact CG-CG 4.12Å; E194-R270 IonicContact OE1-NH1 3.77Å; E194-E293 WeakPolarHBondContact CB-OE1 3.42Å; E194-E293 PolarHBondContact N-OE1 2.86Å; E194-Y305 WeakPolarHBondContact OE1-CE2 3.15Å; E194-Y305 PolarHBondContact OE1-OH 3.27Å
195S87.3Confident92.7Very high20 Ų2025.5 Ų25.514%0.1413%0.126CC..THydrogen-bonded Turntrans68.61.6178.474.90000116.6D158 T159 Y160 E193 E266D158-S195 CarbonylContact C-O 3.51Å; D158-S195 WeakPolarHBondContact CA-O 3.26Å; T159-S195 PolarHBondContact N-O 3.15Å; T159-S195 WeakPolarHBondContact OG1-CA 3.49Å; T159-S195 PolarHBondContact OG1-O 3.31Å; Y160-S195 VanDerWaalsContact CE1-CB 3.49Å; Y160-S195 VanDerWaalsContact CZ-CB 3.43Å; Y160-S195 WeakPolarHBondContact OH-CB 3.34Å; E193-S195 PolarHBondContact O-N 2.85Å; S195-E266 PolarHBondContact N-OE1 3.47Å
196S93.1Very high92.6Very high3 Ų327.9 Ų27.92%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-112.2130.1-178.9-64.50000112.7L157 R189 E193 E194L157-S196 WeakPolarHBondContact O-CA 3.37Å; R189-S196 PolarHBondContact NE-O 2.65Å; R189-S196 PolarHBondContact NH1-O 3.11Å; E193-S196 PolarHBondContact O-N 3.35Å; E193-S196 WeakPolarHBondContact OE2-CB 3.48Å; E193-S196 PolarHBondContact OE2-OG 3.26Å; E194-S196 PolarHBondContact O-N 2.79Å
197V94.7Very high92.6Very high20 Ų2026.1 Ų26.112%0.12114%0.135CC..EExtended strand (participates in β ladder)trans-109.5119.6162.7-173.50000107.9H156 L157 T159 P187 W237H156-V197 CarbonylContact C-O 3.59Å; H156-V197 WeakPolarHBondContact CA-O 3.34Å; H156-V197 VanDerWaalsContact CB-O 3.27Å; H156-V197 WeakPolarHBondContact CB-O 3.46Å; L157-V197 HydrophobicContact CD1-CB 3.79Å; L157-V197 HydrophobicContact CD1-CG2 3.66Å; L157-V197 HydrophobicContact CG-CB 4.01Å; L157-V197 HydrophobicContact CG-CG2 4.4Å; L157-V197 PolarHBondContact N-O 3.3Å; L157-V197 PolarHBondContact O-N 2.85Å; T159-V197 HydrophobicContact CG2-CG2 3.6Å; P187-V197 HydrophobicContact CB-CG1 3.66Å; V197-W237 HydrophobicContact CB-CH2 4.3Å; V197-W237 HydrophobicContact CG1-CH2 3.88Å; V197-W237 VanDerWaalsContact O-CZ3 3.28Å; V197-W237 WeakPolarHBondContact O-CZ3 3.35Å
198F96.6Very high92.5Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-87.7158.1-177.7-66.2-77.5000112.2F69 P154 C155 H156 P187 T188 P191 E193F69-F198 HydrophobicContact CD1-CD1 4.49Å; F69-F198 HydrophobicContact CE1-CB 3.94Å; F69-F198 HydrophobicContact CE1-CD1 4.22Å; F69-F198 HydrophobicContact CE1-CG 4.13Å; P154-F198 HydrophobicContact CB-CD1 4.36Å; C155-F198 CarbonylContact O-C 3.59Å; H156-F198 HydrophobicContact CB-CD1 3.67Å; H156-F198 HydrophobicContact CB-CE1 3.96Å; H156-F198 HydrophobicContact CB-CG 4.36Å; P187-F198 CarbonylContact C-O 3.59Å; P187-F198 VanDerWaalsContact CA-O 3.29Å; P187-F198 WeakPolarHBondContact CA-O 3.44Å; T188-F198 HydrophobicContact CG2-CB 3.98Å; T188-F198 PolarHBondContact N-O 2.76Å; T188-F198 PolarHBondContact O-N 2.61Å; P191-F198 WeakPolarHBondContact O-CD2 3.3Å; P191-F198 VanDerWaalsContact O-CE2 3.29Å; P191-F198 WeakPolarHBondContact O-CE2 3.29Å; E193-F198 HydrophobicContact CB-CE2 3.91Å; E193-F198 HydrophobicContact CB-CZ 4.05Å
199S97.2Very high92.7Very high0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-94.8133.9168.3175.80000109C155 L185 V201C155-S199 WeakPolarHBondContact O-CB 3.27Å; C155-S199 PolarHBondContact O-N 3.06Å; L185-S199 WeakPolarHBondContact O-CA 3.34Å; L185-S199 VanDerWaalsContact O-CB 3.3Å; L185-S199 WeakPolarHBondContact O-CB 3.24Å; L185-S199 PolarHBondContact O-OG 2.84Å; S199-V201 PolarHBondContact O-N 3.13Å; S199-V201 WeakPolarHBondContact OG-CB 3.31Å; S199-V201 PolarHBondContact OG-N 3.18Å; S199-V201 VanDerWaalsContact OG-N 3.11Å
200Q95.5Very high93Very high84 Ų8442.2 Ų42.239%0.39320%0.2SC..SBendtrans-71.4-10.9171.3-65.2176.657.300112.5P67 Y186 P187 T188 F211P67-Q200 WeakPolarHBondContact CD-O 3.35Å; Y186-Q200 WeakPolarHBondContact O-CG 3.47Å; Y186-Q200 PolarHBondContact O-N 2.95Å; P187-Q200 PolarHBondContact O-NE2 3.07Å; T188-Q200 HydrophobicContact CG2-CG 3.59Å; Q200-F211 HydrophobicContact CB-CE1 3.89Å; Q200-F211 HydrophobicContact CB-CZ 3.88Å; Q200-F211 WeakPolarHBondContact O-CE2 3.29Å; Q200-F211 WeakPolarHBondContact O-CZ 2.93Å
201V96.8Very high93.6Very high2 Ų241.9 Ų41.91%0.01220%0.198CC..SBendtrans-90.7130-174.2-168.20000110.7Y186 S199 V203 P206 F211 F214Y186-V201 HydrophobicContact CD2-CG2 3.56Å; Y186-V201 HydrophobicContact CE2-CG2 4.41Å; Y186-V201 HydrophobicContact CG-CG2 4.18Å; S199-V201 PolarHBondContact O-N 3.13Å; S199-V201 WeakPolarHBondContact OG-CB 3.31Å; S199-V201 PolarHBondContact OG-N 3.18Å; S199-V201 VanDerWaalsContact OG-N 3.11Å; V201-V203 PolarHBondContact O-N 2.85Å; V201-P206 HydrophobicContact CG1-CB 3.68Å; V201-F211 HydrophobicContact CB-CD2 4.27Å; V201-F211 HydrophobicContact CB-CG 4.48Å; V201-F211 HydrophobicContact CG1-CB 4.4Å; V201-F211 HydrophobicContact CG1-CD2 4.05Å; V201-F211 HydrophobicContact CG1-CG 4.41Å; V201-F211 HydrophobicContact CG2-CB 3.9Å; V201-F211 HydrophobicContact CG2-CD1 3.97Å; V201-F211 HydrophobicContact CG2-CD2 3.93Å; V201-F211 HydrophobicContact CG2-CE1 4.47Å; V201-F211 HydrophobicContact CG2-CE2 4.43Å; V201-F211 HydrophobicContact CG2-CG 3.67Å; V201-F214 HydrophobicContact CB-CD2 4.11Å; V201-F214 HydrophobicContact CB-CE2 4.42Å; V201-F214 HydrophobicContact CG1-CB 4.35Å; V201-F214 HydrophobicContact CG1-CD1 4.15Å; V201-F214 HydrophobicContact CG1-CD2 3.74Å; V201-F214 HydrophobicContact CG1-CE1 4.44Å; V201-F214 HydrophobicContact CG1-CE2 4.05Å; V201-F214 HydrophobicContact CG1-CG 3.8Å; V201-F214 HydrophobicContact CG1-CZ 4.4Å; V201-F214 HydrophobicContact CG2-CD2 4.11Å
202H95.8Very high94Very high20 Ų2045.1 Ų45.19%0.09322%0.219CC..  trans-71.595.8162.3-171.5-34000108.6T64 A66 L204 R205 P206T64-H202 PolarHBondContact O-CD2 2.8Å; T64-H202 VanDerWaalsContact O-CD2 3.27Å; A66-H202 PolarHBondContact O-CD2 3.23Å; H202-L204 VanDerWaalsContact C-N 3.26Å; H202-L204 PolarHBondContact ND1-N 3.07Å; H202-L204 PolarHBondContact O-N 3.35Å; H202-L204 VanDerWaalsContact O-N 3.11Å; H202-R205 PolarHBondContact ND1-N 2.92Å; H202-R205 PolarHBondContact NE2-NH2 2.87Å; H202-R205 CarbonylContact O-C 3.51Å; H202-R205 PolarHBondContact O-N 3.15Å; H202-P206 WeakPolarHBondContact O-CA 3.44Å; H202-P206 WeakPolarHBondContact O-CD 3.44Å
203V96.3Very high94.4Very high15 Ų1550.3 Ų50.39%0.09124%0.243CC..THydrogen-bonded Turntrans-61.1-28.1-168.9-60.60000115.3C155 F177 V201 F214 Y239C155-V203 HydrophobicContact CB-CG1 3.56Å; C155-V203 HydrophobicContact CB-CG2 4.26Å; F177-V203 HydrophobicContact CE2-CB 4.25Å; F177-V203 HydrophobicContact CE2-CG1 4.08Å; F177-V203 HydrophobicContact CZ-CB 4.09Å; F177-V203 HydrophobicContact CZ-CG1 4.21Å; V201-V203 PolarHBondContact O-N 2.85Å; V203-F214 HydrophobicContact CB-CE2 4.2Å; V203-F214 HydrophobicContact CB-CZ 3.81Å; V203-F214 HydrophobicContact CG1-CE2 3.79Å; V203-F214 HydrophobicContact CG1-CZ 3.94Å; V203-Y239 HydrophobicContact CG2-CD1 4.08Å; V203-Y239 HydrophobicContact CG2-CD2 4.12Å; V203-Y239 HydrophobicContact CG2-CG 3.66Å
204L94.8Very high94.7Very high60 Ų6051 Ų5131%0.31425%0.246SC..THydrogen-bonded Turntrans-78.9-24.5173.4-51.6-175.2000113.7H175 H202 Y239H175-L204 WeakPolarHBondContact NE2-CD2 3.31Å; H202-L204 VanDerWaalsContact C-N 3.26Å; H202-L204 PolarHBondContact ND1-N 3.07Å; H202-L204 PolarHBondContact O-N 3.35Å; H202-L204 VanDerWaalsContact O-N 3.11Å; L204-Y239 HydrophobicContact CD1-CE1 3.62Å; L204-Y239 HydrophobicContact CD2-CD1 4.22Å; L204-Y239 HydrophobicContact CD2-CE1 4.05Å; L204-Y239 HydrophobicContact CG-CD1 4.34Å; L204-Y239 HydrophobicContact CG-CE1 3.83Å
205R94.8Very high95.1Very high92 Ų9256 Ų5635%0.34727%0.269SS..SBendtrans-143.462.1-173.5-67.2-175.1-67.7137.21.5110.4E62 A63 T64 H202E62-R205 PolarHBondContact O-NH2 3.16Å; A63-R205 VanDerWaalsContact CB-NH1 3.29Å; A63-R205 PolarHBondContact O-NH1 2.99Å; T64-R205 VanDerWaalsContact N-NH2 3.11Å; T64-R205 PolarHBondContact O-NH1 3.34Å; T64-R205 PolarHBondContact O-NH2 2.97Å; H202-R205 PolarHBondContact ND1-N 2.92Å; H202-R205 PolarHBondContact NE2-NH2 2.87Å; H202-R205 CarbonylContact O-C 3.51Å; H202-R205 PolarHBondContact O-N 3.15Å
206P95.6Very high95.5Very high49 Ų4957.1 Ų57.132%0.31828%0.284SS..  trans-66.4142.3-175.629-37.2000110.7V201 H202 P208 F214V201-P206 HydrophobicContact CG1-CB 3.68Å; H202-P206 WeakPolarHBondContact O-CA 3.44Å; H202-P206 WeakPolarHBondContact O-CD 3.44Å; P206-P208 VanDerWaalsContact O-CD 3.25Å; P206-P208 WeakPolarHBondContact O-CD 3.49Å; P206-F214 HydrophobicContact CB-CD1 3.52Å; P206-F214 HydrophobicContact CB-CE1 3.84Å; P206-F214 HydrophobicContact CB-CG 4.29Å; P206-F214 HydrophobicContact CG-CD1 3.7Å; P206-F214 HydrophobicContact CG-CE1 3.74Å
207D95.4Very high95.7Very high9 Ų957.8 Ų57.85%0.04829%0.289CS..  trans-85.5106.3166.4-171.1-27.4000109.1N65 R209 K210 F211N65-D207 PolarHBondContact ND2-OD2 3.01Å; D207-R209 PolarHBondContact O-N 3.31Å; D207-R209 VanDerWaalsContact O-N 3.16Å; D207-R209 WeakPolarHBondContact OD1-CB 3.48Å; D207-R209 PolarHBondContact OD1-N 3.2Å; D207-R209 IonicContact OD1-NE 3.93Å; D207-R209 PolarHBondContact OD1-NE 3.28Å; D207-R209 IonicContact OD1-NH2 2.89Å; D207-R209 IonicContact OD2-NE 3.62Å; D207-R209 IonicContact OD2-NH2 3.88Å; D207-R209 PolarHBondContact OD2-NH2 2.91Å; D207-K210 HydrophobicContact CB-CB 4.27Å; D207-K210 HydrophobicContact CB-CD 4.49Å; D207-K210 HydrophobicContact CB-CG 4.37Å; D207-K210 PolarHBondContact O-N 2.92Å; D207-K210 VanDerWaalsContact O-N 3.16Å; D207-F211 PolarHBondContact O-N 3.31Å
208P93.4Very high95.8Very high67 Ų6760.8 Ų60.844%0.43530%0.299SS..THydrogen-bonded Turntrans-67.7-17.5-17529.3-36.4000113P206 P212P206-P208 VanDerWaalsContact O-CD 3.25Å; P206-P208 WeakPolarHBondContact O-CD 3.49Å; P208-P212 WeakPolarHBondContact O-CA 3.38Å
209R95Very high95.8Very high209 Ų20961.5 Ų61.579%0.78931%0.305SS*.THydrogen-bonded Turntrans-77.8-34.1177.1-60171.8-64.3177.43.3111.3D207D207-R209 PolarHBondContact O-N 3.31Å; D207-R209 VanDerWaalsContact O-N 3.16Å; D207-R209 WeakPolarHBondContact OD1-CB 3.48Å; D207-R209 PolarHBondContact OD1-N 3.2Å; D207-R209 IonicContact OD1-NE 3.93Å; D207-R209 PolarHBondContact OD1-NE 3.28Å; D207-R209 IonicContact OD1-NH2 2.89Å; D207-R209 IonicContact OD2-NE 3.62Å; D207-R209 IonicContact OD2-NH2 3.88Å; D207-R209 PolarHBondContact OD2-NH2 2.91Å
210K94.6Very high95.8Very high138 Ų13862.5 Ų62.560%0.631%0.309SS*.THydrogen-bonded Turntrans-85.3-38.8177.2-66.4-173.1177.2-174.70111.9D207 P212D207-K210 HydrophobicContact CB-CB 4.27Å; D207-K210 HydrophobicContact CB-CD 4.49Å; D207-K210 HydrophobicContact CB-CG 4.37Å; D207-K210 PolarHBondContact O-N 2.92Å; D207-K210 VanDerWaalsContact O-N 3.16Å; K210-P212 WeakPolarHBondContact O-CD 3.35Å
211F96.6Very high95.9Very high26 Ų2660.4 Ų60.411%0.11430%0.302CS..  trans-125.257.4-170.4-51.5-59.6000112.5Y186 Q200 V201 D207 Q213 F214Y186-F211 AromaticContact CD1-CD1 3.7Å; Y186-F211 HydrophobicContact CD1-CD1 3.7Å; Y186-F211 HydrophobicContact CD1-CE1 4.26Å; Y186-F211 HydrophobicContact CD2-CB 3.91Å; Y186-F211 AromaticContact CD2-CD1 3.69Å; Y186-F211 HydrophobicContact CD2-CD1 3.69Å; Y186-F211 HydrophobicContact CD2-CG 4.14Å; Y186-F211 AromaticContact CE1-CD1 3.96Å; Y186-F211 HydrophobicContact CE1-CD1 3.96Å; Y186-F211 HydrophobicContact CE2-CB 3.55Å; Y186-F211 AromaticContact CE2-CD1 3.97Å; Y186-F211 HydrophobicContact CE2-CD1 3.97Å; Y186-F211 HydrophobicContact CE2-CG 4.21Å; Y186-F211 AromaticContact CG-CD1 3.55Å; Y186-F211 HydrophobicContact CG-CD1 3.55Å; Y186-F211 HydrophobicContact CG-CE1 4.13Å; Y186-F211 HydrophobicContact CG-CG 4.43Å; Y186-F211 VanDerWaalsContact OH-C 3.3Å; Y186-F211 WeakPolarHBondContact OH-CA 3.14Å; Q200-F211 HydrophobicContact CB-CE1 3.89Å; Q200-F211 HydrophobicContact CB-CZ 3.88Å; Q200-F211 WeakPolarHBondContact O-CE2 3.29Å; Q200-F211 WeakPolarHBondContact O-CZ 2.93Å; V201-F211 HydrophobicContact CB-CD2 4.27Å; V201-F211 HydrophobicContact CB-CG 4.48Å; V201-F211 HydrophobicContact CG1-CB 4.4Å; V201-F211 HydrophobicContact CG1-CD2 4.05Å; V201-F211 HydrophobicContact CG1-CG 4.41Å; V201-F211 HydrophobicContact CG2-CB 3.9Å; V201-F211 HydrophobicContact CG2-CD1 3.97Å; V201-F211 HydrophobicContact CG2-CD2 3.93Å; V201-F211 HydrophobicContact CG2-CE1 4.47Å; V201-F211 HydrophobicContact CG2-CE2 4.43Å; V201-F211 HydrophobicContact CG2-CG 3.67Å; D207-F211 PolarHBondContact O-N 3.31Å; F211-Q213 VanDerWaalsContact C-N 3.25Å; F211-Q213 PolarHBondContact O-N 2.85Å; F211-F214 HydrophobicContact CB-CB 4.31Å; F211-F214 VanDerWaalsContact O-CB 3.31Å; F211-F214 WeakPolarHBondContact O-CB 3.34Å; F211-F214 PolarHBondContact O-N 3.22Å; F211-F214 VanDerWaalsContact O-N 3.13Å
212P96.3Very high96Very high73 Ų7361.5 Ų61.547%0.47431%0.309SS..G310 helixtrans-60.3-30.7-173.623.9-35.4000114Y186 P208 K210 F214Y186-P212 VanDerWaalsContact OH-CD 3.29Å; Y186-P212 WeakPolarHBondContact OH-CD 3.46Å; P208-P212 WeakPolarHBondContact O-CA 3.38Å; K210-P212 WeakPolarHBondContact O-CD 3.35Å; P212-F214 PolarHBondContact O-N 2.58Å
213Q96.4Very high96.1Very high111 Ų11162.6 Ų62.652%0.51932%0.317SS..G310 helixtrans-71.5-20.2-178.9-60.9-175.72300113.1Y186 F211 Q215 G216Y186-Q213 HydrophobicContact CE2-CB 4.14Å; Y186-Q213 WeakPolarHBondContact OH-CB 3.49Å; Y186-Q213 WeakPolarHBondContact OH-CG 3.23Å; Y186-Q213 PolarHBondContact OH-N 3.11Å; F211-Q213 VanDerWaalsContact C-N 3.25Å; F211-Q213 PolarHBondContact O-N 2.85Å; Q213-Q215 PolarHBondContact O-N 3.12Å; Q213-G216 PolarHBondContact O-N 3.17Å; Q213-G216 VanDerWaalsContact O-N 3.11Å
214F97.3Very high96.3Very high22 Ų2261.9 Ų61.910%0.09631%0.313CS..G310 helixtrans-61.1-27.4179.8-177.1-96.9000112.3F177 K184 L185 Y186 V201 V203 P206 F211 P212 G216 A217F177-F214 HydrophobicContact CE1-CE2 4.28Å; F177-F214 HydrophobicContact CE1-CZ 4.19Å; F177-F214 HydrophobicContact CZ-CE2 4.28Å; F177-F214 HydrophobicContact CZ-CZ 4.09Å; K184-F214 WeakPolarHBondContact O-CA 3.39Å; L185-F214 HydrophobicContact CD2-CD2 3.58Å; L185-F214 HydrophobicContact CD2-CE2 3.35Å; Y186-F214 HydrophobicContact CE2-CB 4.47Å; V201-F214 HydrophobicContact CB-CD2 4.11Å; V201-F214 HydrophobicContact CB-CE2 4.42Å; V201-F214 HydrophobicContact CG1-CB 4.35Å; V201-F214 HydrophobicContact CG1-CD1 4.15Å; V201-F214 HydrophobicContact CG1-CD2 3.74Å; V201-F214 HydrophobicContact CG1-CE1 4.44Å; V201-F214 HydrophobicContact CG1-CE2 4.05Å; V201-F214 HydrophobicContact CG1-CG 3.8Å; V201-F214 HydrophobicContact CG1-CZ 4.4Å; V201-F214 HydrophobicContact CG2-CD2 4.11Å; V203-F214 HydrophobicContact CB-CE2 4.2Å; V203-F214 HydrophobicContact CB-CZ 3.81Å; V203-F214 HydrophobicContact CG1-CE2 3.79Å; V203-F214 HydrophobicContact CG1-CZ 3.94Å; P206-F214 HydrophobicContact CB-CD1 3.52Å; P206-F214 HydrophobicContact CB-CE1 3.84Å; P206-F214 HydrophobicContact CB-CG 4.29Å; P206-F214 HydrophobicContact CG-CD1 3.7Å; P206-F214 HydrophobicContact CG-CE1 3.74Å; F211-F214 HydrophobicContact CB-CB 4.31Å; F211-F214 VanDerWaalsContact O-CB 3.31Å; F211-F214 WeakPolarHBondContact O-CB 3.34Å; F211-F214 PolarHBondContact O-N 3.22Å; F211-F214 VanDerWaalsContact O-N 3.13Å; P212-F214 PolarHBondContact O-N 2.58Å; F214-G216 PolarHBondContact O-N 3.44Å; F214-G216 VanDerWaalsContact O-N 3.08Å; F214-A217 HydrophobicContact CD2-CB 4.22Å; F214-A217 HydrophobicContact CE2-CB 4.28Å; F214-A217 VanDerWaalsContact O-CB 3.23Å; F214-A217 WeakPolarHBondContact O-CB 3.31Å; F214-A217 PolarHBondContact O-N 3.39Å
215Q94Very high96.4Very high156 Ų15662.3 Ų62.373%0.72931%0.313SS*.G310 helixtrans-57.6-24.8176.9-67-176.9-1000113.3Q213Q213-Q215 PolarHBondContact O-N 3.12Å
216G95.2Very high96.6Very high44 Ų4461 Ų6145%0.45432%0.317SS..G310 helixtrans-92.45.1176.300000114.5K184 Q213 F214K184-G216 WeakPolarHBondContact CD-O 3.31Å; K184-G216 WeakPolarHBondContact CE-O 3.41Å; K184-G216 PolarHBondContact NZ-O 3.24Å; Q213-G216 PolarHBondContact O-N 3.17Å; Q213-G216 VanDerWaalsContact O-N 3.11Å; F214-G216 PolarHBondContact O-N 3.44Å; F214-G216 VanDerWaalsContact O-N 3.08Å
217A96.8Very high96.8Very high16 Ų1659.5 Ų59.513%0.13231%0.31CS..  trans-77.5133.9179.900000110.6F177 K184 L185 F214 A219F177-A217 HydrophobicContact CD1-CB 3.97Å; F177-A217 HydrophobicContact CE1-CB 4.15Å; K184-A217 HydrophobicContact CB-CB 4.17Å; K184-A217 HydrophobicContact CD-CB 4.29Å; L185-A217 HydrophobicContact CD2-CB 4.28Å; F214-A217 HydrophobicContact CD2-CB 4.22Å; F214-A217 HydrophobicContact CE2-CB 4.28Å; F214-A217 VanDerWaalsContact O-CB 3.23Å; F214-A217 WeakPolarHBondContact O-CB 3.31Å; F214-A217 PolarHBondContact O-N 3.39Å; A217-A219 PolarHBondContact O-N 2.78Å
218R96.7Very high96.9Very high83 Ų8361 Ų6131%0.31332%0.316SS..  trans-92.299.3-174.5-64.6168.9-68.5155.3-0.8109P178 E180 D181P178-R218 WeakPolarHBondContact CD-O 3.49Å; E180-R218 IonicContact OE2-CZ 3.31Å; E180-R218 IonicContact OE2-NH1 3.55Å; E180-R218 IonicContact OE2-NH2 3.06Å; E180-R218 PolarHBondContact OE2-NH2 2.91Å; D181-R218 IonicContact OD1-CZ 3.92Å; D181-R218 IonicContact OD1-NE 4Å; D181-R218 PolarHBondContact OD1-NE 3.12Å; D181-R218 IonicContact OD1-NH2 3.37Å; D181-R218 PolarHBondContact OD1-NH2 2.75Å; D181-R218 VanDerWaalsContact OD2-CB 3.31Å; D181-R218 WeakPolarHBondContact OD2-CB 3.49Å; D181-R218 IonicContact OD2-CZ 3.9Å; D181-R218 PolarHBondContact OD2-N 3.35Å; D181-R218 IonicContact OD2-NE 2.68Å; D181-R218 PolarHBondContact OD2-NE 3.23Å; D181-R218 IonicContact OD2-NH2 3.44Å
219A97Very high97.2Very high15 Ų1557.8 Ų57.812%0.12430%0.295CS..  trans-78.7125.6179.900000111F177 A217 C361 Q362F177-A219 HydrophobicContact CD1-CB 4.31Å; F177-A219 HydrophobicContact CE1-CB 3.7Å; F177-A219 HydrophobicContact CZ-CB 4.2Å; A217-A219 PolarHBondContact O-N 2.78Å; A219-C361 CarbonylContact O-C 3.45Å; A219-C361 WeakPolarHBondContact O-CA 3.42Å; A219-Q362 HydrophobicContact CB-CG 4.32Å; A219-Q362 WeakPolarHBondContact O-CG 3.31Å; A219-Q362 PolarHBondContact O-N 3.3Å
220H98.2Very high97.4Very high21 Ų2147.8 Ų47.810%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-103.8115.9168.5-73.3-110.3000108.3L176 W236 V359 K360 C361L176-H220 HydrophobicContact CB-CB 4.2Å; L176-H220 PolarHBondContact N-O 2.74Å; L176-H220 WeakPolarHBondContact O-CB 3.4Å; L176-H220 PolarHBondContact O-N 3.28Å; H220-W236 HydrophobicContact CB-CZ3 4.31Å; H220-W236 AromaticContact CD2-CZ3 3.91Å; H220-V359 HydrophobicContact CB-CG1 3.87Å; H220-V359 PolarHBondContact ND1-O 3.26Å; H220-K360 VanDerWaalsContact CA-O 3.3Å; H220-K360 WeakPolarHBondContact CA-O 3.28Å; H220-C361 PolarHBondContact ND1-N 2.7Å
221T97.7Very high97.6Very high41 Ų4142 Ų4225%0.25223%0.232SC..EExtended strand (participates in β ladder)trans-119.2135.8-172.3-60.10000112.4R173 W174 H175 K360 Q362R173-T221 HydrophobicContact CG-CG2 4.01Å; W174-T221 VanDerWaalsContact O-CA 3.29Å; W174-T221 WeakPolarHBondContact O-CA 3.36Å; W174-T221 WeakPolarHBondContact O-CG2 3.25Å; H175-T221 PolarHBondContact ND1-OG1 3.36Å; T221-K360 PolarHBondContact N-O 2.74Å; T221-Q362 PolarHBondContact OG1-NE2 2.57Å
222V98.3Very high97.7Very high25 Ų2540.8 Ų40.815%0.15223%0.227CC..EExtended strand (participates in β ladder)trans-141.2141.4173.162.60000111.1V27 W174 L176 L230 V359V27-V222 HydrophobicContact CG2-CG1 4.5Å; V27-V222 HydrophobicContact CG2-CG2 3.87Å; W174-V222 HydrophobicContact CB-CG1 3.92Å; W174-V222 PolarHBondContact N-O 3.2Å; W174-V222 PolarHBondContact O-N 2.86Å; L176-V222 HydrophobicContact CD1-CG1 4.16Å; V222-L230 HydrophobicContact CG1-CD1 4.28Å; V222-L230 HydrophobicContact CG1-CD2 4.5Å; V222-V359 HydrophobicContact CB-CG1 3.96Å; V222-V359 HydrophobicContact CB-CG2 4.17Å; V222-V359 HydrophobicContact CG1-CG1 4.11Å; V222-V359 HydrophobicContact CG1-CG2 3.93Å
223T98.6Very high97.7Very high42 Ų4237.6 Ų37.626%0.25821%0.206SC..EExtended strand (participates in β ladder)trans-96.7114.1164.4-67.40000107.6R171 K172 I243R171-T223 HydrophobicContact CB-CG2 3.88Å; R171-T223 HydrophobicContact CG-CG2 4.29Å; K172-T223 WeakPolarHBondContact O-CA 3.28Å; T223-I243 HydrophobicContact CG2-CD1 3.68Å
224L98.6Very high97.6Very high0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-84.3121.1-178.9-164.166000109.2V27 V165 Q167 R171 K172 Q228 L230V27-L224 HydrophobicContact CG1-CD1 3.91Å; V27-L224 HydrophobicContact CG2-CD1 4.23Å; V165-L224 HydrophobicContact CG1-CD2 4.36Å; Q167-L224 HydrophobicContact CB-CB 4.43Å; Q167-L224 HydrophobicContact CB-CD2 3.86Å; Q167-L224 HydrophobicContact CB-CG 3.81Å; R171-L224 WeakPolarHBondContact CA-O 3.42Å; K172-L224 PolarHBondContact N-O 3.01Å; K172-L224 PolarHBondContact O-N 3.39Å; L224-Q228 HydrophobicContact CD1-CB 3.57Å; L224-Q228 HydrophobicContact CG-CB 4.21Å; L224-L230 HydrophobicContact CD1-CB 3.88Å; L224-L230 HydrophobicContact CD2-CB 3.86Å
225E98.8Very high97.5Very high69 Ų6936.7 Ų36.732%0.32220%0.2SC..PPolyproline II helixtrans-94.7155-177.3-59.5-71.4158.300111.7Q167 R171 G227 Q228Q167-E225 WeakPolarHBondContact CB-O 3.24Å; R171-E225 WeakPolarHBondContact CD-OE1 3.42Å; R171-E225 WeakPolarHBondContact CD-OE2 3.45Å; R171-E225 WeakPolarHBondContact CG-OE2 3.49Å; E225-G227 PolarHBondContact O-N 2.69Å; E225-Q228 HydrophobicContact CB-CG 4Å; E225-Q228 VanDerWaalsContact O-CB 3.24Å; E225-Q228 WeakPolarHBondContact O-CB 3.45Å; E225-Q228 WeakPolarHBondContact O-CG 3.48Å; E225-Q228 PolarHBondContact O-N 2.79Å
226P98.8Very high97.7Very high66 Ų6629.6 Ų29.643%0.42917%0.167SC..THydrogen-bonded Turntrans-49131.3173.7-29.536.7000113.5Q167 Q228Q167-P226 CarbonylContact O-C 3.59Å; Q167-P226 WeakPolarHBondContact O-CA 3.29Å; P226-Q228 VanDerWaalsContact C-N 3.32Å
227G98.5Very high97.8Very high16 Ų1627.6 Ų27.617%0.16515%0.146CC..THydrogen-bonded Turntrans87.4-12.2-176.200000115T32 Q167 E225T32-G227 PolarHBondContact OG1-O 2.98Å; Q167-G227 PolarHBondContact O-N 2.78Å; E225-G227 PolarHBondContact O-N 2.69Å
228Q98.8Very high97.9Very high40 Ų4027.1 Ų27.119%0.18714%0.141CC..  trans-83.6148.2177.6-58.4-175.9-18.700111.8V27 L29 L166 Q167 L224 E225 P226V27-Q228 HydrophobicContact CG1-CB 3.83Å; V27-Q228 HydrophobicContact CG1-CG 4.33Å; L29-Q228 HydrophobicContact CD2-CB 4.25Å; L29-Q228 VanDerWaalsContact CD2-CD 3.42Å; L29-Q228 HydrophobicContact CD2-CG 3.49Å; L29-Q228 VanDerWaalsContact CD2-CG 3.49Å; L166-Q228 WeakPolarHBondContact CD1-O 3.3Å; Q167-Q228 PolarHBondContact N-O 2.86Å; Q167-Q228 VanDerWaalsContact N-O 3.1Å; L224-Q228 HydrophobicContact CD1-CB 3.57Å; L224-Q228 HydrophobicContact CG-CB 4.21Å; E225-Q228 HydrophobicContact CB-CG 4Å; E225-Q228 VanDerWaalsContact O-CB 3.24Å; E225-Q228 WeakPolarHBondContact O-CB 3.45Å; E225-Q228 WeakPolarHBondContact O-CG 3.48Å; E225-Q228 PolarHBondContact O-N 2.79Å; P226-Q228 VanDerWaalsContact C-N 3.32Å
229V98.9Very high98Very high0 Ų023.9 Ų23.90%013%0.128CC..EExtended strand (participates in β ladder)trans-116.3120.4173.7178.70000109.7V27 F28 T32 W129 F132 L164 V165 L166V27-V229 CarbonylContact C-O 3.52Å; V27-V229 WeakPolarHBondContact CA-O 3.42Å; F28-V229 HydrophobicContact CB-CB 4.32Å; F28-V229 PolarHBondContact N-O 3.18Å; F28-V229 PolarHBondContact O-N 3.18Å; F28-V229 VanDerWaalsContact O-N 3.12Å; T32-V229 HydrophobicContact CG2-CG2 3.46Å; T32-V229 VanDerWaalsContact CG2-CG2 3.46Å; W129-V229 HydrophobicContact CZ3-CG1 4.17Å; F132-V229 HydrophobicContact CE1-CB 4.13Å; F132-V229 HydrophobicContact CE1-CG1 3.82Å; F132-V229 HydrophobicContact CE2-CG2 4.09Å; F132-V229 HydrophobicContact CZ-CB 3.68Å; F132-V229 HydrophobicContact CZ-CG1 3.78Å; F132-V229 HydrophobicContact CZ-CG2 3.67Å; L164-V229 HydrophobicContact CB-CG1 4.35Å; L164-V229 HydrophobicContact CD2-CG1 4.09Å; V165-V229 CarbonylContact O-C 3.57Å; V165-V229 VanDerWaalsContact O-CA 3.24Å; V165-V229 WeakPolarHBondContact O-CA 3.35Å; L166-V229 HydrophobicContact CB-CG2 4.17Å; L166-V229 HydrophobicContact CD1-CG2 3.91Å
230L98.9Very high98.1Very high0 Ų023.5 Ų23.50%013%0.125CC..EExtended strand (participates in β ladder)trans-88.4128.5170.1176.563.7000109.5P25 V27 L164 V165 W174 V222 L224 V232 V359P25-L230 HydrophobicContact CB-CD1 4.38Å; V27-L230 HydrophobicContact CG2-CD1 3.93Å; L164-L230 WeakPolarHBondContact CA-O 3.28Å; V165-L230 HydrophobicContact CB-CB 4.41Å; V165-L230 PolarHBondContact N-O 3.39Å; V165-L230 PolarHBondContact O-N 3.2Å; W174-L230 HydrophobicContact CB-CD2 4.23Å; W174-L230 HydrophobicContact CD2-CD2 3.42Å; W174-L230 VanDerWaalsContact CD2-CD2 3.42Å; W174-L230 HydrophobicContact CE3-CD2 3.65Å; W174-L230 HydrophobicContact CG-CD2 3.66Å; W174-L230 HydrophobicContact CZ2-CD2 4.45Å; W174-L230 HydrophobicContact CZ3-CD2 4.24Å; V222-L230 HydrophobicContact CG1-CD1 4.28Å; V222-L230 HydrophobicContact CG1-CD2 4.5Å; L224-L230 HydrophobicContact CD1-CB 3.88Å; L224-L230 HydrophobicContact CD2-CB 3.86Å; L230-V232 HydrophobicContact CD2-CG2 3.85Å; L230-V232 HydrophobicContact CG-CG2 3.92Å; L230-V359 HydrophobicContact CD1-CG2 4.01Å
231Y98.7Very high98Very high16 Ų1624 Ų246%0.06313%0.127CC..EExtended strand (participates in β ladder)trans-92122162.7174.8-112.7000109.5L19 L22 P25 A26 C162 N163 L164 P233L19-Y231 HydrophobicContact CD2-CD1 4.34Å; L19-Y231 HydrophobicContact CD2-CD2 3.48Å; L19-Y231 VanDerWaalsContact CD2-CD2 3.48Å; L19-Y231 HydrophobicContact CD2-CE2 3.87Å; L19-Y231 HydrophobicContact CD2-CG 3.72Å; L22-Y231 HydrophobicContact CB-CD1 3.95Å; L22-Y231 HydrophobicContact CB-CE1 3.67Å; L22-Y231 HydrophobicContact CD1-CD1 4.04Å; P25-Y231 VanDerWaalsContact CA-O 3.29Å; P25-Y231 WeakPolarHBondContact CA-O 3.31Å; A26-Y231 PolarHBondContact N-O 2.74Å; A26-Y231 PolarHBondContact O-N 2.87Å; C162-Y231 HydrophobicContact CB-CE2 3.84Å; N163-Y231 WeakPolarHBondContact O-CA 3.13Å; L164-Y231 HydrophobicContact CD2-CD2 3.8Å; L164-Y231 HydrophobicContact CD2-CG 4.43Å; Y231-P233 HydrophobicContact CD1-CG 3.99Å; Y231-P233 HydrophobicContact CE1-CB 3.74Å; Y231-P233 HydrophobicContact CE1-CG 3.59Å
232V98.4Very high98.1Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-106109.1170.8-173.30000107.2C162 N163 W174 L176 L230 W236C162-V232 WeakPolarHBondContact CB-O 3.33Å; N163-V232 HydrophobicContact CB-CB 4.07Å; N163-V232 HydrophobicContact CB-CG2 4.5Å; N163-V232 PolarHBondContact N-O 2.88Å; N163-V232 PolarHBondContact O-N 3.35Å; W174-V232 HydrophobicContact CZ3-CG2 4.16Å; L176-V232 HydrophobicContact CD2-CG1 4.05Å; L176-V232 HydrophobicContact CD2-CG2 4.06Å; L230-V232 HydrophobicContact CD2-CG2 3.85Å; L230-V232 HydrophobicContact CG-CG2 3.92Å; V232-W236 HydrophobicContact CG1-CB 4.02Å
233P96.8Very high98.1Very high7 Ų722.3 Ų22.35%0.04512%0.116CC..  trans-66.3160178.3-8.421.2000110.6P25 Y231 H235 W236P25-P233 HydrophobicContact CG-CG 4.37Å; Y231-P233 HydrophobicContact CD1-CG 3.99Å; Y231-P233 HydrophobicContact CE1-CB 3.74Å; Y231-P233 HydrophobicContact CE1-CG 3.59Å; P233-H235 PolarHBondContact O-N 3.41Å; P233-W236 HydrophobicContact CB-CG 4.45Å; P233-W236 HydrophobicContact CG-CG 4.21Å; P233-W236 WeakPolarHBondContact O-CB 3.38Å; P233-W236 PolarHBondContact O-N 3.05Å
234R94Very high98.1Very high46 Ų4621.9 Ų21.917%0.17411%0.112CC..THydrogen-bonded Turntrans-50.1140.8175.6-177174.5165.8137.84.9111.6T159 G161 W236 L256 D259T159-R234 PolarHBondContact O-NH2 3.39Å; G161-R234 VanDerWaalsContact O-CA 3.25Å; G161-R234 WeakPolarHBondContact O-CA 3.2Å; G161-R234 WeakPolarHBondContact O-CB 3.34Å; G161-R234 VanDerWaalsContact O-CG 3.31Å; G161-R234 WeakPolarHBondContact O-CG 3.31Å; R234-W236 PolarHBondContact O-N 3.31Å; R234-W236 VanDerWaalsContact O-N 3.1Å; R234-L256 HydrophobicContact CB-CD1 4.43Å; R234-D259 IonicContact CZ-OD1 3.28Å; R234-D259 IonicContact NH1-OD1 3.63Å; R234-D259 PolarHBondContact NH1-OD1 2.62Å
235H95Very high98.1Very high68 Ų6826.2 Ų26.232%0.31514%0.14SC..THydrogen-bonded Turntrans65.12.2176.3-57.9153.2000116.3D158 T159 P179 P233 W237D158-H235 PolarHBondContact O-CD2 2.65Å; D158-H235 VanDerWaalsContact O-CD2 3.28Å; T159-H235 PolarHBondContact O-NE2 3.16Å; P179-H235 HydrophobicContact CB-CB 4.18Å; P179-H235 HydrophobicContact CG-CB 3.9Å; P233-H235 PolarHBondContact O-N 3.41Å; H235-W237 PolarHBondContact O-N 2.89Å
236W98.1Very high98.1Very high7 Ų724.4 Ų24.43%0.02713%0.132CC..  trans-70.8124.7172.3-84.471000110.2Q23 H24 P25 L176 F177 P178 H220 V232 P233 R234 H238Q23-W236 PolarHBondContact O-NE1 3.3Å; Q23-W236 VanDerWaalsContact O-NE1 3.13Å; H24-W236 HydrophobicContact CB-CZ2 4.16Å; H24-W236 AromaticContact CD2-CH2 3.97Å; H24-W236 AromaticContact CD2-CZ2 3.59Å; P25-W236 VanDerWaalsContact CD-CE2 3.41Å; P25-W236 VanDerWaalsContact CD-CZ3 3.48Å; P25-W236 HydrophobicContact CG-CD2 3.58Å; P25-W236 HydrophobicContact CG-CE3 3.35Å; P25-W236 HydrophobicContact CG-CG 4.22Å; P25-W236 HydrophobicContact CG-CH2 4.04Å; P25-W236 HydrophobicContact CG-CZ2 4.26Å; P25-W236 HydrophobicContact CG-CZ3 3.58Å; L176-W236 HydrophobicContact CB-CE3 3.99Å; L176-W236 HydrophobicContact CB-CZ3 4.33Å; F177-W236 VanDerWaalsContact C-CE3 3.46Å; P178-W236 HydrophobicContact CB-CE3 4.44Å; P178-W236 HydrophobicContact CB-CH2 3.66Å; P178-W236 HydrophobicContact CB-CZ2 3.8Å; P178-W236 HydrophobicContact CB-CZ3 3.99Å; P178-W236 HydrophobicContact CG-CH2 4.5Å; H220-W236 HydrophobicContact CB-CZ3 4.31Å; H220-W236 AromaticContact CD2-CZ3 3.91Å; V232-W236 HydrophobicContact CG1-CB 4.02Å; P233-W236 HydrophobicContact CB-CG 4.45Å; P233-W236 HydrophobicContact CG-CG 4.21Å; P233-W236 WeakPolarHBondContact O-CB 3.38Å; P233-W236 PolarHBondContact O-N 3.05Å; R234-W236 PolarHBondContact O-N 3.31Å; R234-W236 VanDerWaalsContact O-N 3.1Å; W236-H238 PolarHBondContact O-ND1 3.32Å; W236-H238 VanDerWaalsContact O-ND1 3.16Å
237W98.6Very high98.1Very high1 Ų121.2 Ų21.20%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-69141.9172.1-67.886.2000109.2H156 L157 L176 F177 T182 L185 P187 V197 H235H156-W237 CarbonylContact O-C 3.46Å; H156-W237 VanDerWaalsContact O-CA 3.24Å; H156-W237 WeakPolarHBondContact O-CA 3.46Å; L157-W237 HydrophobicContact CB-CD2 3.85Å; L157-W237 HydrophobicContact CB-CE3 4.22Å; L157-W237 HydrophobicContact CB-CG 4.02Å; L157-W237 HydrophobicContact CD2-CD2 4.03Å; L157-W237 HydrophobicContact CD2-CG 4.38Å; L157-W237 HydrophobicContact CD2-CH2 4.36Å; L157-W237 HydrophobicContact CD2-CZ2 3.53Å; L157-W237 VanDerWaalsContact CD2-NE1 3.35Å; L157-W237 HydrophobicContact CG-CD2 4.07Å; L157-W237 HydrophobicContact CG-CE3 4.42Å; L157-W237 HydrophobicContact CG-CH2 4.21Å; L157-W237 HydrophobicContact CG-CZ2 3.86Å; L157-W237 HydrophobicContact CG-CZ3 4.48Å; L176-W237 CarbonylContact C-O 3.3Å; L176-W237 WeakPolarHBondContact CA-O 3.35Å; F177-W237 HydrophobicContact CB-CB 4Å; F177-W237 HydrophobicContact CD2-CB 4.25Å; F177-W237 PolarHBondContact N-O 3.1Å; F177-W237 PolarHBondContact O-N 2.95Å; T182-W237 HydrophobicContact CG2-CZ2 3.92Å; T182-W237 PolarHBondContact OG1-NE1 3.12Å; L185-W237 HydrophobicContact CB-CD2 4.29Å; L185-W237 HydrophobicContact CB-CE3 4.32Å; L185-W237 HydrophobicContact CB-CZ2 4.45Å; L185-W237 HydrophobicContact CB-CZ3 4.42Å; L185-W237 HydrophobicContact CD1-CB 3.44Å; L185-W237 VanDerWaalsContact CD1-CB 3.44Å; L185-W237 HydrophobicContact CD1-CD2 3.24Å; L185-W237 HydrophobicContact CD1-CE3 3.7Å; L185-W237 HydrophobicContact CD1-CG 3.12Å; L185-W237 HydrophobicContact CG-CD2 4.38Å; P187-W237 HydrophobicContact CB-CH2 3.81Å; P187-W237 HydrophobicContact CB-CZ2 4.17Å; V197-W237 HydrophobicContact CB-CH2 4.3Å; V197-W237 HydrophobicContact CG1-CH2 3.88Å; V197-W237 VanDerWaalsContact O-CZ3 3.28Å; V197-W237 WeakPolarHBondContact O-CZ3 3.35Å; H235-W237 PolarHBondContact O-N 2.89Å
238H98.6Very high98.1Very high6 Ų620.5 Ų20.53%0.02810%0.104CC..EExtended strand (participates in β ladder)trans-151.2139.4-179.659.9-81.4000112.1C155 H156 D158 W174 H175 L176 W236C155-H238 VanDerWaalsContact CA-O 3.31Å; C155-H238 WeakPolarHBondContact CA-O 3.29Å; H156-H238 AromaticContact CD2-CE1 3.84Å; H156-H238 AromaticContact CD2-NE2 3.96Å; H156-H238 AromaticContact CE1-CD2 3.68Å; H156-H238 AromaticContact CE1-CE1 3.78Å; H156-H238 AromaticContact CE1-NE2 3.17Å; H156-H238 PolarHBondContact CE1-NE2 3.06Å; H156-H238 PolarHBondContact N-O 2.99Å; H156-H238 AromaticContact NE2-CE1 3.44Å; H156-H238 PolarHBondContact NE2-CE1 3.03Å; H156-H238 AromaticContact NE2-NE2 3.12Å; H156-H238 PolarHBondContact NE2-NE2 3.15Å; H156-H238 VanDerWaalsContact NE2-NE2 3.12Å; H156-H238 PolarHBondContact O-N 3.42Å; H156-H238 PolarHBondContact O-ND1 3.28Å; D158-H238 IonicContact OD1-CE1 3.06Å; D158-H238 IonicContact OD2-CE1 2.81Å; D158-H238 PolarHBondContact OD2-CE1 2.95Å; D158-H238 VanDerWaalsContact OD2-CE1 3.24Å; W174-H238 HydrophobicContact CE3-CB 4.21Å; W174-H238 HydrophobicContact CZ3-CB 4.31Å; W174-H238 AromaticContact CZ3-CD2 3.56Å; H175-H238 CarbonylContact O-C 3.49Å; H175-H238 VanDerWaalsContact O-CA 3.29Å; H175-H238 WeakPolarHBondContact O-CA 3.23Å; L176-H238 HydrophobicContact CD2-CB 4.09Å; L176-H238 HydrophobicContact CG-CB 4.26Å; W236-H238 PolarHBondContact O-ND1 3.32Å; W236-H238 VanDerWaalsContact O-ND1 3.16Å
239Y98.6Very high98.1Very high15 Ų1518.7 Ų18.76%0.05910%0.095CC..EExtended strand (participates in β ladder)trans-117.5139.1165.6168.4-91.5000107.9N152 T153 W174 H175 V203 L204 E241N152-Y239 HydrophobicContact CB-CE2 3.94Å; N152-Y239 WeakPolarHBondContact CB-OH 3.08Å; T153-Y239 WeakPolarHBondContact O-CD2 3.41Å; W174-Y239 CarbonylContact C-O 3.53Å; W174-Y239 WeakPolarHBondContact CA-O 3.41Å; H175-Y239 HydrophobicContact CB-CD1 4.45Å; H175-Y239 AromaticContact CD2-CD1 3.87Å; H175-Y239 PolarHBondContact N-O 3.41Å; H175-Y239 PolarHBondContact O-N 2.78Å; V203-Y239 HydrophobicContact CG2-CD1 4.08Å; V203-Y239 HydrophobicContact CG2-CD2 4.12Å; V203-Y239 HydrophobicContact CG2-CG 3.66Å; L204-Y239 HydrophobicContact CD1-CE1 3.62Å; L204-Y239 HydrophobicContact CD2-CD1 4.22Å; L204-Y239 HydrophobicContact CD2-CE1 4.05Å; L204-Y239 HydrophobicContact CG-CD1 4.34Å; L204-Y239 HydrophobicContact CG-CE1 3.83Å; Y239-E241 HydrophobicContact CE1-CB 3.83Å; Y239-E241 HydrophobicContact CE1-CG 3.98Å
240V98.3Very high98.1Very high8 Ų818.7 Ų18.75%0.04810%0.095CC..EExtended strand (participates in β ladder)trans-132.1133.6179.758.30000111N152 T153 K172 R173 W174N152-V240 CarbonylContact C-O 3.48Å; N152-V240 WeakPolarHBondContact CA-O 3.32Å; N152-V240 WeakPolarHBondContact CB-O 3.2Å; T153-V240 PolarHBondContact N-O 3.09Å; T153-V240 PolarHBondContact O-N 3.24Å; K172-V240 HydrophobicContact CB-CG2 3.98Å; K172-V240 HydrophobicContact CD-CG2 3.9Å; K172-V240 HydrophobicContact CG-CG2 4.3Å; R173-V240 WeakPolarHBondContact O-CA 3.27Å; W174-V240 HydrophobicContact CD2-CB 3.94Å; W174-V240 HydrophobicContact CD2-CG2 3.86Å; W174-V240 VanDerWaalsContact CE2-CG2 3.43Å; W174-V240 HydrophobicContact CE3-CB 4.09Å; W174-V240 HydrophobicContact CE3-CG2 4.47Å; W174-V240 HydrophobicContact CG-CB 4.49Å; W174-V240 HydrophobicContact CG-CG2 4.23Å; W174-V240 HydrophobicContact CH2-CB 4.19Å; W174-V240 HydrophobicContact CH2-CG1 4.29Å; W174-V240 HydrophobicContact CH2-CG2 4.29Å; W174-V240 HydrophobicContact CZ2-CB 4.04Å; W174-V240 HydrophobicContact CZ2-CG1 4.41Å; W174-V240 HydrophobicContact CZ2-CG2 3.65Å; W174-V240 HydrophobicContact CZ3-CB 4.23Å
241E97.8Very high98Very high31 Ų3119.2 Ų19.215%0.14510%0.098CC..EExtended strand (participates in β ladder)trans-127.3140.7174.560.6170.6-175.700111.8A151 N152 K172 R173 Y239 I243A151-E241 WeakPolarHBondContact O-CA 3.34Å; N152-E241 HydrophobicContact CB-CB 4.14Å; K172-E241 CarbonylContact C-O 3.59Å; K172-E241 VanDerWaalsContact CA-O 3.24Å; K172-E241 WeakPolarHBondContact CA-O 3.45Å; R173-E241 HydrophobicContact CB-CG 3.85Å; R173-E241 IonicContact CZ-OE1 3.83Å; R173-E241 PolarHBondContact N-O 2.88Å; R173-E241 IonicContact NH1-OE1 2.76Å; R173-E241 PolarHBondContact NH1-OE1 3.19Å; R173-E241 PolarHBondContact O-N 3.25Å; Y239-E241 HydrophobicContact CE1-CB 3.83Å; Y239-E241 HydrophobicContact CE1-CG 3.98Å; E241-I243 HydrophobicContact CG-CG2 3.92Å
242S98.6Very high98Very high2 Ų218.4 Ų18.41%0.01410%0.095CC..EExtended strand (participates in β ladder)trans-78120.7168.5-70.40000109.8T148 Q149 G150 A151 K172 T247T148-S242 VanDerWaalsContact O-CB 3.22Å; T148-S242 WeakPolarHBondContact O-CB 3.31Å; Q149-S242 WeakPolarHBondContact CA-O 3.31Å; G150-S242 PolarHBondContact N-O 2.84Å; A151-S242 PolarHBondContact O-N 3.06Å; K172-S242 WeakPolarHBondContact CE-OG 3.35Å; S242-T247 WeakPolarHBondContact CB-OG1 3.22Å; S242-T247 PolarHBondContact OG-OG1 3.23Å
243I98.3Very high97.8Very high29 Ų2921 Ų2115%0.14911%0.105CC..  trans-106.1-16-175.262.9167.9000113.8R171 R173 T223 E241R171-I243 HydrophobicContact CB-CD1 3.89Å; R171-I243 HydrophobicContact CB-CG1 3.76Å; R171-I243 VanDerWaalsContact O-CG1 3.31Å; R171-I243 WeakPolarHBondContact O-CG1 3.29Å; R171-I243 PolarHBondContact O-N 3.14Å; R171-I243 VanDerWaalsContact O-N 3.1Å; R173-I243 HydrophobicContact CB-CG2 3.85Å; T223-I243 HydrophobicContact CG2-CD1 3.68Å; E241-I243 HydrophobicContact CG-CG2 3.92Å
244D98.6Very high97.6Very high33 Ų3320.9 Ų20.918%0.17610%0.104CC..SBendtrans-99.3160.7173.6-74.5-26.4000111.6Q149 G170 R171 I246 T247Q149-D244 WeakPolarHBondContact CA-O 3.36Å; Q149-D244 WeakPolarHBondContact CB-O 3.48Å; Q149-D244 PolarHBondContact N-O 3.37Å; G170-D244 WeakPolarHBondContact CA-OD2 3.37Å; R171-D244 VanDerWaalsContact CB-OD2 3.31Å; R171-D244 WeakPolarHBondContact CB-OD2 3.25Å; R171-D244 VanDerWaalsContact CG-OD2 3.26Å; R171-D244 WeakPolarHBondContact CG-OD2 3.34Å; R171-D244 IonicContact CZ-OD1 3.76Å; R171-D244 IonicContact CZ-OD2 3.44Å; R171-D244 PolarHBondContact N-OD2 3.11Å; R171-D244 IonicContact NE-OD1 3.23Å; R171-D244 PolarHBondContact NE-OD1 3.36Å; R171-D244 IonicContact NE-OD2 3.82Å; R171-D244 PolarHBondContact NE-OD2 3.22Å; R171-D244 IonicContact NH2-OD1 3.19Å; R171-D244 PolarHBondContact NH2-OD1 2.76Å; R171-D244 IonicContact NH2-OD2 2.77Å; D244-I246 VanDerWaalsContact C-N 3.26Å; D244-I246 PolarHBondContact O-N 2.9Å; D244-I246 VanDerWaalsContact O-N 3.15Å; D244-T247 HydrophobicContact CB-CG2 4.42Å
245P98.3Very high97.4Very high91 Ų9124.7 Ų24.759%0.59112%0.124SC*.SBendtrans-53.4-39.2-174.3-30.436.5000114.7T148 Q149T148-P245 VanDerWaalsContact CA-O 3.25Å; T148-P245 WeakPolarHBondContact CA-O 3.41Å; Q149-P245 PolarHBondContact N-O 3.13Å
246I98.7Very high97Very high30 Ų3023.6 Ų23.615%0.15412%0.12CC..EExtended strand (participates in β ladder)trans-136134.5174.4-61.3176.3000108A42 F83 L84 T87 G147 D244A42-I246 HydrophobicContact CB-CG2 3.76Å; F83-I246 HydrophobicContact CE1-CG2 4.3Å; L84-I246 HydrophobicContact CD2-CD1 3.87Å; T87-I246 HydrophobicContact CG2-CD1 4.21Å; T87-I246 HydrophobicContact CG2-CG1 4.21Å; G147-I246 CarbonylContact O-C 3.55Å; G147-I246 WeakPolarHBondContact O-CA 3.47Å; D244-I246 VanDerWaalsContact C-N 3.26Å; D244-I246 PolarHBondContact O-N 2.9Å; D244-I246 VanDerWaalsContact O-N 3.15Å
247T98.8Very high96.1Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-126.9143.7176.660.90000110.7I146 G147 Q169 R171 K172 S242 D244I146-T247 WeakPolarHBondContact CA-O 3.42Å; G147-T247 PolarHBondContact N-O 3.42Å; G147-T247 PolarHBondContact O-N 3.34Å; G147-T247 PolarHBondContact O-OG1 3.4Å; G147-T247 VanDerWaalsContact O-OG1 3.1Å; Q169-T247 CarbonylContact O-C 3.6Å; Q169-T247 WeakPolarHBondContact O-CA 3.34Å; R171-T247 VanDerWaalsContact O-CG2 3.32Å; R171-T247 WeakPolarHBondContact O-CG2 3.13Å; K172-T247 HydrophobicContact CG-CG2 4.34Å; S242-T247 WeakPolarHBondContact CB-OG1 3.22Å; S242-T247 PolarHBondContact OG-OG1 3.23Å; D244-T247 HydrophobicContact CB-CG2 4.42Å
248V98.9Very high95.3Very high0 Ų036.5 Ų36.50%019%0.188CC..EExtended strand (participates in β ladder)trans-130.9130.7168.6-177.50000108.3W40 A42 L45 L144 W145 I146 Q167 V168 Q169W40-V248 WeakPolarHBondContact O-CG1 3.44Å; A42-V248 HydrophobicContact CB-CG2 4.33Å; L45-V248 HydrophobicContact CD1-CG1 3.94Å; L45-V248 HydrophobicContact CD1-CG2 4.25Å; L144-V248 HydrophobicContact CD1-CG1 3.65Å; W145-V248 VanDerWaalsContact O-CA 3.26Å; W145-V248 WeakPolarHBondContact O-CA 3.37Å; I146-V248 HydrophobicContact CG1-CG2 4.39Å; I146-V248 HydrophobicContact CG2-CG2 4.32Å; Q167-V248 PolarHBondContact NE2-O 3.06Å; V168-V248 WeakPolarHBondContact CA-O 3.37Å; V168-V248 HydrophobicContact CB-CB 4.22Å; V168-V248 HydrophobicContact CB-CG1 4.12Å; V168-V248 WeakPolarHBondContact CB-O 3.42Å; V168-V248 HydrophobicContact CG1-CG1 4.39Å; V168-V248 PolarHBondContact N-O 3.44Å; Q169-V248 HydrophobicContact CB-CB 3.84Å; Q169-V248 HydrophobicContact CB-CG2 3.97Å; Q169-V248 PolarHBondContact N-O 3.06Å; Q169-V248 PolarHBondContact O-N 2.96Å
249S98.9Very high94.8Very high2 Ų236.2 Ų36.21%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-136155172.461.10000110.7W145 L166 K172W145-S249 WeakPolarHBondContact CB-OG 3.37Å; W145-S249 PolarHBondContact N-O 2.96Å; W145-S249 PolarHBondContact O-N 3.2Å; L166-S249 CarbonylContact O-C 3.58Å; L166-S249 VanDerWaalsContact O-CA 3.24Å; L166-S249 WeakPolarHBondContact O-CA 3.49Å; L166-S249 WeakPolarHBondContact O-CB 3.29Å; K172-S249 PolarHBondContact NZ-OG 3.41Å
250V98.8Very high94.1Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-125.9131.7172.7175.60000107.6V37 I113 V127 W129 T143 L144 L166 V168V37-V250 HydrophobicContact CG2-CG2 3.98Å; I113-V250 HydrophobicContact CD1-CG1 3.84Å; I113-V250 HydrophobicContact CD1-CG2 4.25Å; V127-V250 HydrophobicContact CG1-CG1 4.29Å; V127-V250 HydrophobicContact CG2-CG1 4.26Å; W129-V250 HydrophobicContact CZ2-CG1 4.49Å; T143-V250 VanDerWaalsContact O-CA 3.3Å; T143-V250 WeakPolarHBondContact O-CA 3.42Å; L144-V250 HydrophobicContact CD1-CG2 3.89Å; L166-V250 WeakPolarHBondContact CA-O 3.44Å; L166-V250 PolarHBondContact N-O 3.28Å; L166-V250 PolarHBondContact O-N 3.37Å; V168-V250 HydrophobicContact CG2-CG2 4.25Å
251N98.3Very high93.3Very high11 Ų1138.2 Ų38.26%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-125.1161.1171.486.4-83.9000112.1S142 T143 W145 N163 L164 V165S142-N251 CarbonylContact C-O 3.04Å; S142-N251 WeakPolarHBondContact CA-O 3.25Å; S142-N251 VanDerWaalsContact CB-O 3.32Å; S142-N251 WeakPolarHBondContact CB-O 3.31Å; T143-N251 PolarHBondContact N-O 2.96Å; T143-N251 PolarHBondContact O-N 3.47Å; T143-N251 PolarHBondContact OG1-OD1 3.45Å; W145-N251 VanDerWaalsContact CE2-OD1 3.31Å; W145-N251 WeakPolarHBondContact CZ2-OD1 3.4Å; W145-N251 PolarHBondContact NE1-OD1 2.71Å; N163-N251 PolarHBondContact ND2-ND2 3.32Å; N163-N251 WeakPolarHBondContact OD1-CB 3.32Å; N163-N251 PolarHBondContact OD1-ND2 3.17Å; L164-N251 CarbonylContact O-C 3.59Å; L164-N251 WeakPolarHBondContact O-CA 3.39Å; L164-N251 VanDerWaalsContact O-CB 3.31Å; L164-N251 WeakPolarHBondContact O-CB 3.12Å; V165-N251 HydrophobicContact CB-CB 4.21Å; V165-N251 HydrophobicContact CG1-CB 4.19Å; V165-N251 HydrophobicContact CG2-CB 3.86Å
252S97.4Very high92.7Very high0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-130.9125.3172.7162.80000109.9W129 R137 N163 L164 I254W129-S252 VanDerWaalsContact CE2-CB 3.45Å; R137-S252 PolarHBondContact NE-OG 2.89Å; R137-S252 PolarHBondContact NH2-OG 3.14Å; N163-S252 PolarHBondContact OD1-O 3.5Å; L164-S252 PolarHBondContact N-O 2.99Å; L164-S252 VanDerWaalsContact N-O 3.12Å; L164-S252 PolarHBondContact O-N 3.21Å; S252-I254 WeakPolarHBondContact OG-CD1 3.27Å
253W94.8Very high92.1Very high55 Ų5539.5 Ų39.521%0.20821%0.21CC..EExtended strand (participates in β ladder)trans-85.5109.8176.5-173.7-95.2000112.4R137 D158 Y160 N163R137-W253 VanDerWaalsContact CZ-O 3.26Å; R137-W253 PolarHBondContact NH1-O 2.68Å; R137-W253 PolarHBondContact NH2-O 3.1Å; D158-W253 HydrophobicContact CB-CH2 3.15Å; D158-W253 HydrophobicContact CB-CZ2 3.96Å; D158-W253 HydrophobicContact CB-CZ3 3.74Å; D158-W253 WeakPolarHBondContact OD1-CH2 3.49Å; D158-W253 WeakPolarHBondContact OD1-CZ3 3.33Å; D158-W253 WeakPolarHBondContact OD2-CZ3 3.4Å; Y160-W253 HydrophobicContact CD2-CZ2 4.09Å; Y160-W253 AromaticContact CD2-NE1 3.7Å; Y160-W253 HydrophobicContact CE2-CZ2 4.14Å; Y160-W253 AromaticContact CE2-NE1 3.64Å; Y160-W253 WeakPolarHBondContact O-CZ2 3.35Å; N163-W253 HydrophobicContact CB-CE3 4.37Å
254I93.4Very high91.5Very high4 Ų438.1 Ų38.12%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-91.5115.8-176.6-54.1-53.5000109.9F134 G161 C162 L164 S252 L256F134-I254 HydrophobicContact CD1-CD1 3.94Å; F134-I254 HydrophobicContact CD1-CG1 4.5Å; F134-I254 HydrophobicContact CD1-CG2 4.09Å; F134-I254 HydrophobicContact CD2-CD1 4.28Å; F134-I254 HydrophobicContact CE1-CB 4.23Å; F134-I254 HydrophobicContact CE1-CD1 3.89Å; F134-I254 HydrophobicContact CE1-CG1 3.95Å; F134-I254 HydrophobicContact CE1-CG2 3.27Å; F134-I254 HydrophobicContact CE2-CD1 4.28Å; F134-I254 HydrophobicContact CE2-CG1 4.32Å; F134-I254 HydrophobicContact CG-CD1 4.12Å; F134-I254 HydrophobicContact CZ-CB 4.43Å; F134-I254 HydrophobicContact CZ-CD1 4.08Å; F134-I254 HydrophobicContact CZ-CG1 3.86Å; F134-I254 HydrophobicContact CZ-CG2 3.79Å; G161-I254 CarbonylContact C-O 3.46Å; G161-I254 WeakPolarHBondContact CA-O 3.43Å; C162-I254 PolarHBondContact N-O 3.05Å; C162-I254 PolarHBondContact O-N 3.27Å; L164-I254 HydrophobicContact CD1-CG1 4.31Å; L164-I254 HydrophobicContact CG-CG1 4.5Å; S252-I254 WeakPolarHBondContact OG-CD1 3.27Å; I254-L256 HydrophobicContact CG2-CD2 4.15Å
255E89.1Confident90.9Very high125 Ų12538 Ų3858%0.58421%0.205SC*.  trans-72.8141.6169.8-48.6-172.716900110.4D259 R263E255-D259 WeakPolarHBondContact CA-OD2 3.36Å; E255-R263 IonicContact OE1-NH2 3.9Å; E255-R263 PolarHBondContact OE1-NH2 3.18Å; E255-R263 IonicContact OE2-NH2 2.91Å; E255-R263 PolarHBondContact OE2-NH2 3.48Å
256L85.6Confident90.4Very high45 Ų4533.8 Ų33.824%0.23618%0.177CC..  trans-117.3150.6-179.4-54174.5000110.6C162 R234 I254 V258 D259C162-L256 HydrophobicContact CB-CD1 4.46Å; R234-L256 HydrophobicContact CB-CD1 4.43Å; I254-L256 HydrophobicContact CG2-CD2 4.15Å; L256-V258 HydrophobicContact CB-CG2 3.99Å; L256-V258 PolarHBondContact O-N 3.09Å; L256-V258 VanDerWaalsContact O-N 3.09Å; L256-D259 PolarHBondContact N-OD2 2.91Å; L256-D259 WeakPolarHBondContact O-CB 2.87Å; L256-D259 PolarHBondContact O-N 2.79Å
257E80.1Confident89.8Confident171 Ų17132.3 Ų32.380%0.79917%0.17SC*.G310 helixtrans-60.4-24.6179.2-62.3-175.5169.100113.2D259E257-D259 PolarHBondContact O-N 3.36Å
258V82.6Confident89.2Confident108 Ų10832.8 Ų32.866%0.65517%0.172SC*.G310 helixtrans-81.10.3178-61.20000113.4L256 D260L256-V258 HydrophobicContact CB-CG2 3.99Å; L256-V258 PolarHBondContact O-N 3.09Å; L256-V258 VanDerWaalsContact O-N 3.09Å; V258-D260 PolarHBondContact O-N 3.42Å
259D86.6Confident88.7Confident1 Ų133 Ų331%0.00517%0.174CC..G310 helixtrans-75.6-21.7-173.6-68.8-12.1000114.6G161 R234 E255 L256 E257 A261 A262 R263G161-D259 WeakPolarHBondContact CA-OD2 3.33Å; G161-D259 VanDerWaalsContact N-CG 3.31Å; G161-D259 PolarHBondContact N-OD1 2.79Å; G161-D259 PolarHBondContact N-OD2 3.49Å; R234-D259 IonicContact CZ-OD1 3.28Å; R234-D259 IonicContact NH1-OD1 3.63Å; R234-D259 PolarHBondContact NH1-OD1 2.62Å; E255-D259 WeakPolarHBondContact CA-OD2 3.36Å; L256-D259 PolarHBondContact N-OD2 2.91Å; L256-D259 WeakPolarHBondContact O-CB 2.87Å; L256-D259 PolarHBondContact O-N 2.79Å; E257-D259 PolarHBondContact O-N 3.36Å; D259-A261 VanDerWaalsContact C-N 3.32Å; D259-A261 PolarHBondContact O-N 2.92Å; D259-A261 VanDerWaalsContact O-N 3.16Å; D259-A262 PolarHBondContact O-N 3.2Å; D259-R263 HydrophobicContact CB-CG 4.44Å; D259-R263 WeakPolarHBondContact O-CG 3.06Å; D259-R263 PolarHBondContact O-N 2.91Å
260D84.1Confident88.1Confident24 Ų2433.7 Ų33.713%0.12818%0.176CC..Hα-helixtrans-50.8-46.5-170-77.3-15.8000113.8V258 A262 R263 V264 Q313 T316V258-D260 PolarHBondContact O-N 3.42Å; D260-A262 PolarHBondContact O-N 2.9Å; D260-R263 PolarHBondContact O-N 3.33Å; D260-V264 WeakPolarHBondContact O-CG2 3.47Å; D260-V264 PolarHBondContact O-N 3.44Å; D260-V264 VanDerWaalsContact O-N 3.16Å; D260-Q313 VanDerWaalsContact C-OE1 3.27Å; D260-Q313 HydrophobicContact CB-CB 3.92Å; D260-Q313 HydrophobicContact CB-CG 4.31Å; D260-T316 WeakPolarHBondContact OD2-CB 3.39Å; D260-T316 WeakPolarHBondContact OD2-CG2 3.33Å; D260-T316 PolarHBondContact OD2-OG1 3.08Å
261A82.1Confident87.4Confident41 Ų4135 Ų3534%0.33918%0.184SC..Hα-helixtrans-68.2-39.9-17700000111.1D259 R263 V264 S265 Q313D259-A261 VanDerWaalsContact C-N 3.32Å; D259-A261 PolarHBondContact O-N 2.92Å; D259-A261 VanDerWaalsContact O-N 3.16Å; A261-R263 VanDerWaalsContact C-N 3.33Å; A261-V264 WeakPolarHBondContact O-CB 3.04Å; A261-V264 PolarHBondContact O-N 3.3Å; A261-S265 PolarHBondContact O-N 2.93Å; A261-S265 VanDerWaalsContact O-N 3.08Å; A261-S265 PolarHBondContact O-OG 3.13Å; A261-Q313 VanDerWaalsContact CA-OE1 3.23Å
262A85.3Confident86.8Confident17 Ų1736.2 Ų36.214%0.1419%0.192CC..Hα-helixtrans-69.3-33.1177.900000112.1D259 D260 V264 S265 E266D259-A262 PolarHBondContact O-N 3.2Å; D260-A262 PolarHBondContact O-N 2.9Å; A262-V264 VanDerWaalsContact C-N 3.3Å; A262-V264 PolarHBondContact O-N 3.24Å; A262-S265 WeakPolarHBondContact O-CB 3.19Å; A262-S265 PolarHBondContact O-N 3.06Å; A262-E266 WeakPolarHBondContact O-CB 3.34Å; A262-E266 PolarHBondContact O-N 2.69Å
263R85.5Confident86.2Confident43 Ų4336.2 Ų36.216%0.16219%0.192CC..Hα-helixtrans-64.1-34.9171.8-70.5178.4172.7-85.112.7112.3Y160 E255 D259 D260 A261 E266 A267 A309Y160-R263 HydrophobicContact CD1-CG 4.11Å; Y160-R263 HydrophobicContact CE1-CG 4.31Å; Y160-R263 HydrophobicContact CG-CG 4.28Å; E255-R263 IonicContact OE1-NH2 3.9Å; E255-R263 PolarHBondContact OE1-NH2 3.18Å; E255-R263 IonicContact OE2-NH2 2.91Å; E255-R263 PolarHBondContact OE2-NH2 3.48Å; D259-R263 HydrophobicContact CB-CG 4.44Å; D259-R263 WeakPolarHBondContact O-CG 3.06Å; D259-R263 PolarHBondContact O-N 2.91Å; D260-R263 PolarHBondContact O-N 3.33Å; A261-R263 VanDerWaalsContact C-N 3.33Å; R263-E266 PolarHBondContact O-N 3.12Å; R263-A267 WeakPolarHBondContact O-CB 3.39Å; R263-A267 PolarHBondContact O-N 2.67Å; R263-A309 HydrophobicContact CB-CB 4.39Å
264V84.8Confident85.4Confident0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-66.5-45.5172.1-179.10000110.6D260 A261 A262 E266 A267 V268 L306 A309 V310 Q313 T438 L442D260-V264 WeakPolarHBondContact O-CG2 3.47Å; D260-V264 PolarHBondContact O-N 3.44Å; D260-V264 VanDerWaalsContact O-N 3.16Å; A261-V264 WeakPolarHBondContact O-CB 3.04Å; A261-V264 PolarHBondContact O-N 3.3Å; A262-V264 VanDerWaalsContact C-N 3.3Å; A262-V264 PolarHBondContact O-N 3.24Å; V264-E266 VanDerWaalsContact C-N 3.3Å; V264-E266 PolarHBondContact O-N 3.49Å; V264-A267 WeakPolarHBondContact O-CB 3.4Å; V264-A267 PolarHBondContact O-N 3.47Å; V264-V268 WeakPolarHBondContact O-CG2 3.39Å; V264-V268 PolarHBondContact O-N 3.07Å; V264-L306 HydrophobicContact CG1-CD1 4.26Å; V264-A309 HydrophobicContact CG2-CB 3.9Å; V264-V310 HydrophobicContact CG1-CG2 3.87Å; V264-V310 HydrophobicContact CG2-CG2 4.09Å; V264-Q313 HydrophobicContact CG2-CB 4.45Å; V264-T438 HydrophobicContact CB-CG2 3.95Å; V264-T438 HydrophobicContact CG1-CG2 3.75Å; V264-L442 HydrophobicContact CG2-CD2 4.31Å
265S86.5Confident84.7Confident29 Ų2936.7 Ų36.720%0.20321%0.207CC..Hα-helixtrans-58.8-41.3175.1-64.90000112.8A261 A262 V268 T269 I434 T438A261-S265 PolarHBondContact O-N 2.93Å; A261-S265 VanDerWaalsContact O-N 3.08Å; A261-S265 PolarHBondContact O-OG 3.13Å; A262-S265 WeakPolarHBondContact O-CB 3.19Å; A262-S265 PolarHBondContact O-N 3.06Å; S265-V268 PolarHBondContact O-N 2.76Å; S265-T269 PolarHBondContact O-N 3.19Å; S265-T269 PolarHBondContact O-OG1 3.06Å; S265-I434 WeakPolarHBondContact O-CG2 3.36Å; S265-T438 VanDerWaalsContact CA-OG1 3.31Å; S265-T438 WeakPolarHBondContact CA-OG1 3.34Å; S265-T438 PolarHBondContact OG-OG1 3.25Å
266E89.1Confident84Confident3 Ų333.2 Ų33.21%0.01419%0.192CC..Hα-helixtrans-62-47.2174.9-168.366.1-147.500111T159 Y160 R189 Y192 E194 S195 A262 R263 V264 V268 T269 R270T159-E266 PolarHBondContact OG1-OE2 2.81Å; Y160-E266 HydrophobicContact CE1-CB 4.34Å; Y160-E266 HydrophobicContact CE1-CG 4.15Å; R189-E266 IonicContact CZ-OE1 2.82Å; R189-E266 IonicContact CZ-OE2 3.77Å; R189-E266 IonicContact NH1-OE1 3.83Å; R189-E266 IonicContact NH1-OE2 2.75Å; R189-E266 PolarHBondContact NH1-OE2 3.06Å; R189-E266 IonicContact NH2-OE1 3.59Å; R189-E266 PolarHBondContact NH2-OE1 2.82Å; R189-E266 IonicContact NH2-OE2 2.68Å; Y192-E266 PolarHBondContact OH-OE1 3.48Å; Y192-E266 VanDerWaalsContact OH-OE1 3.06Å; E194-E266 WeakPolarHBondContact CA-OE1 3.38Å; E194-E266 HydrophobicContact CG-CG 4.12Å; S195-E266 PolarHBondContact N-OE1 3.47Å; A262-E266 WeakPolarHBondContact O-CB 3.34Å; A262-E266 PolarHBondContact O-N 2.69Å; R263-E266 PolarHBondContact O-N 3.12Å; V264-E266 VanDerWaalsContact C-N 3.3Å; V264-E266 PolarHBondContact O-N 3.49Å; E266-V268 VanDerWaalsContact C-N 3.32Å; E266-V268 PolarHBondContact O-N 2.91Å; E266-T269 WeakPolarHBondContact O-CB 3.46Å; E266-T269 PolarHBondContact O-N 2.98Å; E266-T269 VanDerWaalsContact O-N 3.14Å; E266-R270 WeakPolarHBondContact O-CB 3.48Å; E266-R270 PolarHBondContact O-N 3.01Å
267A85.6Confident83.2Confident0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-60.1-39177.700000113.3R263 V264 T271 Y305 L306 A309R263-A267 WeakPolarHBondContact O-CB 3.39Å; R263-A267 PolarHBondContact O-N 2.67Å; V264-A267 WeakPolarHBondContact O-CB 3.4Å; V264-A267 PolarHBondContact O-N 3.47Å; A267-T271 WeakPolarHBondContact O-CB 3.37Å; A267-T271 PolarHBondContact O-N 2.71Å; A267-T271 PolarHBondContact O-OG1 2.78Å; A267-Y305 HydrophobicContact CB-CD1 3.44Å; A267-Y305 VanDerWaalsContact CB-CD1 3.44Å; A267-Y305 HydrophobicContact CB-CE1 3.64Å; A267-L306 HydrophobicContact CB-CB 4.05Å; A267-L306 HydrophobicContact CB-CD1 3.63Å; A267-L306 HydrophobicContact CB-CG 4.47Å; A267-A309 HydrophobicContact CB-CB 4.28Å
268V86.5Confident82.3Confident9 Ų931.1 Ų31.16%0.05519%0.19CC..Hα-helixtrans-64.2-48.3173.9173.50000110.2V264 S265 E266 R270 T271 V272 L306 I434 V437 L441V264-V268 WeakPolarHBondContact O-CG2 3.39Å; V264-V268 PolarHBondContact O-N 3.07Å; S265-V268 PolarHBondContact O-N 2.76Å; E266-V268 VanDerWaalsContact C-N 3.32Å; E266-V268 PolarHBondContact O-N 2.91Å; V268-R270 PolarHBondContact O-N 3.03Å; V268-T271 WeakPolarHBondContact O-CB 3.48Å; V268-T271 PolarHBondContact O-N 2.83Å; V268-T271 VanDerWaalsContact O-N 3.15Å; V268-V272 WeakPolarHBondContact O-CG2 3.49Å; V268-V272 PolarHBondContact O-N 3.38Å; V268-L306 HydrophobicContact CG2-CD1 3.84Å; V268-I434 HydrophobicContact CG1-CD1 3.91Å; V268-V437 HydrophobicContact CG1-CB 4.2Å; V268-V437 HydrophobicContact CG1-CG1 3.69Å; V268-V437 HydrophobicContact CG2-CG1 4.3Å; V268-L441 HydrophobicContact CG2-CD1 3.53Å
269T87.3Confident81.1Confident6 Ų630.6 Ų30.64%0.03719%0.187CC..Hα-helixtrans-57-50.4179.2-54.30000110.8R189 Y192 S265 E266 T271 V272 V273 V429 I434R189-T269 HydrophobicContact CG-CG2 4.41Å; Y192-T269 HydrophobicContact CD2-CG2 4.11Å; Y192-T269 HydrophobicContact CE2-CG2 3.81Å; S265-T269 PolarHBondContact O-N 3.19Å; S265-T269 PolarHBondContact O-OG1 3.06Å; E266-T269 WeakPolarHBondContact O-CB 3.46Å; E266-T269 PolarHBondContact O-N 2.98Å; E266-T269 VanDerWaalsContact O-N 3.14Å; T269-T271 VanDerWaalsContact C-N 3.3Å; T269-T271 PolarHBondContact O-N 2.95Å; T269-V272 PolarHBondContact O-N 3.38Å; T269-V273 HydrophobicContact CG2-CG2 4.48Å; T269-V273 WeakPolarHBondContact O-CG2 3.26Å; T269-V273 PolarHBondContact O-N 3.24Å; T269-V429 HydrophobicContact CG2-CB 4.24Å; T269-V429 HydrophobicContact CG2-CG1 4.16Å; T269-I434 WeakPolarHBondContact OG1-CD1 3.47Å; T269-I434 WeakPolarHBondContact OG1-CG2 3.36Å
270R86.8Confident79.7Confident16 Ų1636.5 Ų36.56%0.0623%0.226CC..Hα-helixtrans-53.6-47.5175.1-169.7173.9158.9172.3-0112.2Y192 E194 E266 V268 V272 V273 C274 F297 N302Y192-R270 HydrophobicContact CE1-CG 4.24Å; Y192-R270 HydrophobicContact CE2-CB 4.39Å; Y192-R270 VanDerWaalsContact OH-CB 3.22Å; Y192-R270 WeakPolarHBondContact OH-CB 3.31Å; E194-R270 IonicContact OE1-NH1 3.77Å; E266-R270 WeakPolarHBondContact O-CB 3.48Å; E266-R270 PolarHBondContact O-N 3.01Å; V268-R270 PolarHBondContact O-N 3.03Å; R270-V272 VanDerWaalsContact C-N 3.33Å; R270-V272 PolarHBondContact O-N 3.32Å; R270-V273 PolarHBondContact O-N 2.9Å; R270-C274 VanDerWaalsContact O-CB 3.28Å; R270-C274 WeakPolarHBondContact O-CB 3.22Å; R270-C274 PolarHBondContact O-N 3.03Å; R270-C274 PolarHBondContact O-SG 3.17Å; R270-F297 VanDerWaalsContact NH2-CZ 3.32Å; R270-N302 PolarHBondContact NE-OD1 2.89Å
271T83.9Confident78.3Confident27 Ų2737.6 Ų37.617%0.16624%0.235CC..Hα-helixtrans-62-42.4-178.5-590000111.3A267 V268 T269 A275A267-T271 WeakPolarHBondContact O-CB 3.37Å; A267-T271 PolarHBondContact O-N 2.71Å; A267-T271 PolarHBondContact O-OG1 2.78Å; V268-T271 WeakPolarHBondContact O-CB 3.48Å; V268-T271 PolarHBondContact O-N 2.83Å; V268-T271 VanDerWaalsContact O-N 3.15Å; T269-T271 VanDerWaalsContact C-N 3.3Å; T269-T271 PolarHBondContact O-N 2.95Å; T271-A275 WeakPolarHBondContact O-CB 3.42Å; T271-A275 PolarHBondContact O-N 2.92Å
272V86.3Confident77Confident37 Ų3744.4 Ų44.422%0.22427%0.266CS..Hα-helixtrans-64.5-50.5177.7170.20000111.2V268 T269 R270 C274 A275 L276 L425 L428 V429V268-V272 WeakPolarHBondContact O-CG2 3.49Å; V268-V272 PolarHBondContact O-N 3.38Å; T269-V272 PolarHBondContact O-N 3.38Å; R270-V272 VanDerWaalsContact C-N 3.33Å; R270-V272 PolarHBondContact O-N 3.32Å; V272-C274 PolarHBondContact O-N 3.17Å; V272-A275 PolarHBondContact O-N 2.73Å; V272-L276 HydrophobicContact CG1-CD1 4.17Å; V272-L276 PolarHBondContact O-N 3.04Å; V272-L276 VanDerWaalsContact O-N 3.1Å; V272-L425 HydrophobicContact CG1-CD1 4.38Å; V272-L428 HydrophobicContact CG1-CB 3.79Å; V272-L428 HydrophobicContact CG1-CD1 4.31Å; V272-V429 HydrophobicContact CG1-CG1 4.27Å
273V83.5Confident75.7Confident0 Ų048 Ų480%028%0.283CS..Hα-helixtrans-60.1-48.9-179.8174.50000110.7Y192 T269 R270 A275 L276 K277 L289 L425 V429Y192-V273 HydrophobicContact CD2-CB 4.38Å; Y192-V273 HydrophobicContact CD2-CG2 3.83Å; Y192-V273 HydrophobicContact CG-CB 4.43Å; Y192-V273 HydrophobicContact CG-CG1 4.14Å; Y192-V273 HydrophobicContact CG-CG2 4.23Å; T269-V273 HydrophobicContact CG2-CG2 4.48Å; T269-V273 WeakPolarHBondContact O-CG2 3.26Å; T269-V273 PolarHBondContact O-N 3.24Å; R270-V273 PolarHBondContact O-N 2.9Å; V273-A275 PolarHBondContact O-N 3.28Å; V273-L276 PolarHBondContact O-N 2.73Å; V273-K277 WeakPolarHBondContact O-CB 3.44Å; V273-K277 PolarHBondContact O-N 2.58Å; V273-L289 HydrophobicContact CG1-CD2 3.84Å; V273-L425 HydrophobicContact CG2-CD1 4.15Å; V273-V429 HydrophobicContact CG2-CG1 3.77Å
274C78.8Confident74.3Confident15 Ų1547.4 Ų47.410%0.10128%0.283CS..Hα-helixtrans-65-38.7179.9-71.20000112.6R270 V272 L276 K277 S278 N302R270-C274 VanDerWaalsContact O-CB 3.28Å; R270-C274 WeakPolarHBondContact O-CB 3.22Å; R270-C274 PolarHBondContact O-N 3.03Å; R270-C274 PolarHBondContact O-SG 3.17Å; V272-C274 PolarHBondContact O-N 3.17Å; C274-L276 VanDerWaalsContact C-N 3.35Å; C274-K277 PolarHBondContact O-N 3.04Å; C274-S278 PolarHBondContact O-N 3.15Å; C274-S278 VanDerWaalsContact O-N 3.12Å; C274-N302 VanDerWaalsContact CB-ND2 3.31Å; C274-N302 WeakPolarHBondContact CB-ND2 3.37Å
275A78.3Confident73.1Confident53 Ų5352.4 Ų52.444%0.43832%0.324SS..Hα-helixtrans-62.8-42.9177.800000111.4T271 V272 V273 S278T271-A275 WeakPolarHBondContact O-CB 3.42Å; T271-A275 PolarHBondContact O-N 2.92Å; V272-A275 PolarHBondContact O-N 2.73Å; V273-A275 PolarHBondContact O-N 3.28Å; A275-S278 PolarHBondContact O-OG 2.78Å
276L74Confident72Confident52 Ų5255 Ų5527%0.27234%0.336SS..Hα-helixtrans-72.4-38.6177.5-70.3168.8000112.2V272 V273 C274 S278 W288 L425 L428V272-L276 HydrophobicContact CG1-CD1 4.17Å; V272-L276 PolarHBondContact O-N 3.04Å; V272-L276 VanDerWaalsContact O-N 3.1Å; V273-L276 PolarHBondContact O-N 2.73Å; C274-L276 VanDerWaalsContact C-N 3.35Å; L276-S278 VanDerWaalsContact C-N 3.26Å; L276-S278 PolarHBondContact O-N 3.3Å; L276-W288 HydrophobicContact CB-CH2 4.2Å; L276-W288 HydrophobicContact CB-CZ3 3.75Å; L276-L425 HydrophobicContact CD1-CB 4.45Å; L276-L425 HydrophobicContact CD1-CD1 3.57Å; L276-L428 HydrophobicContact CD1-CD1 3.73Å
277K69.1Low71.2Confident79 Ų7957.6 Ų57.634%0.34336%0.357SS..Hα-helixtrans-65.3-28.4179.1-174172.6175.6-179.70113.1V273 C274 V279 W288 L289V273-K277 WeakPolarHBondContact O-CB 3.44Å; V273-K277 PolarHBondContact O-N 2.58Å; C274-K277 PolarHBondContact O-N 3.04Å; K277-V279 PolarHBondContact O-N 3Å; K277-W288 HydrophobicContact CB-CE3 3.92Å; K277-W288 HydrophobicContact CB-CZ3 4.3Å; K277-W288 HydrophobicContact CG-CE3 4.41Å; K277-L289 HydrophobicContact CD-CD1 3.71Å; K277-L289 HydrophobicContact CD-CD2 4.36Å; K277-L289 HydrophobicContact CD-CG 3.59Å
278S61.6Low70.7Confident93 Ų9357.7 Ų57.765%0.6536%0.358SS*.THydrogen-bonded Turntrans-64.7-9.9-175.6690000114.6C274 A275 L276C274-S278 PolarHBondContact O-N 3.15Å; C274-S278 VanDerWaalsContact O-N 3.12Å; A275-S278 PolarHBondContact O-OG 2.78Å; L276-S278 VanDerWaalsContact C-N 3.26Å; L276-S278 PolarHBondContact O-N 3.3Å
279V58.3Low70.3Confident98 Ų9858.1 Ų58.159%0.59436%0.359SS*.SBendtrans-112.9117-179.6-172.20000109.5K277 S281K277-V279 PolarHBondContact O-N 3Å; V279-S281 PolarHBondContact O-N 3.34Å
280P56.8Low69.8Low125 Ų12557.9 Ų57.981%0.81236%0.358SS*.  trans-60.1135.2170.1-18.430.1000110.1
281S54.8Low69.4Low47 Ų4758.9 Ų58.933%0.32937%0.367SS..BIsolated β-bridgetrans-124.3140.5172.9-169.60000110.4V279 D283 N284V279-S281 PolarHBondContact O-N 3.34Å; S281-D283 WeakPolarHBondContact CB-OD1 2.84Å; S281-D283 PolarHBondContact O-N 3.28Å; S281-D283 PolarHBondContact OG-OD1 2.92Å; S281-N284 PolarHBondContact O-N 3.36Å
282D55.2Low69.1Low184 Ų18460 Ų6098%0.98437%0.373SS*.THydrogen-bonded Turntrans-66-20.1-178.4-67.3-26.1000112.5
283D57.5Low68.6Low92 Ų9259.4 Ų59.449%0.49237%0.368SS..THydrogen-bonded Turntrans-93.1-2.2175.674.5-28.1000113.6S281 T421S281-D283 WeakPolarHBondContact CB-OD1 2.84Å; S281-D283 PolarHBondContact O-N 3.28Å; S281-D283 PolarHBondContact OG-OD1 2.92Å; D283-T421 PolarHBondContact OD1-OG1 3.45Å; D283-T421 PolarHBondContact OD2-N 2.94Å; D283-T421 PolarHBondContact OD2-OG1 2.88Å; D283-T421 VanDerWaalsContact OD2-OG1 3.12Å
284N55.8Low67.6Low31 Ų3166.7 Ų66.717%0.16640%0.402CS..BIsolated β-bridgetrans-135.497-168-172.714.9000113.3S281 D286 W288S281-N284 PolarHBondContact O-N 3.36Å; N284-D286 WeakPolarHBondContact OD1-CB 3.3Å; N284-D286 PolarHBondContact OD1-N 2.91Å; N284-D286 PolarHBondContact OD1-OD2 3.18Å; N284-W288 VanDerWaalsContact ND2-CH2 3.28Å; N284-W288 WeakPolarHBondContact ND2-CH2 3.28Å; N284-W288 WeakPolarHBondContact ND2-CZ2 3.2Å
285A59.9Low66.5Low105 Ų10573.5 Ų73.587%0.86843%0.433SS*.  trans-100.41516700000112.2
286D63.2Low65.5Low84 Ų8479.5 Ų79.545%0.44945%0.449SS..  trans-77.5145.5-165.8-63.8-34.4000113.5N284 W288 N422N284-D286 WeakPolarHBondContact OD1-CB 3.3Å; N284-D286 PolarHBondContact OD1-N 2.91Å; N284-D286 PolarHBondContact OD1-OD2 3.18Å; D286-W288 VanDerWaalsContact C-N 3.27Å; D286-W288 PolarHBondContact O-N 3.29Å; D286-N422 PolarHBondContact OD2-ND2 3.31Å; D286-N422 PolarHBondContact OD2-OD1 2.94Å
287A71.9Confident65Low56 Ų5679.4 Ų79.446%0.46345%0.446SS..  trans-7974.4174.600000110.6T71 L289T71-A287 HydrophobicContact CG2-CB 3.62Å; A287-L289 VanDerWaalsContact C-N 3.32Å; A287-L289 PolarHBondContact O-N 3.3Å
288W76.5Confident65Low3 Ų378.2 Ų78.21%0.01145%0.448CS..  trans-70.3-21-177.8-74.2-0.6000115.5Y192 L276 K277 N284 D286 T421 N422 L425Y192-W288 PolarHBondContact N-O 3.27Å; L276-W288 HydrophobicContact CB-CH2 4.2Å; L276-W288 HydrophobicContact CB-CZ3 3.75Å; K277-W288 HydrophobicContact CB-CE3 3.92Å; K277-W288 HydrophobicContact CB-CZ3 4.3Å; K277-W288 HydrophobicContact CG-CE3 4.41Å; N284-W288 VanDerWaalsContact ND2-CH2 3.28Å; N284-W288 WeakPolarHBondContact ND2-CH2 3.28Å; N284-W288 WeakPolarHBondContact ND2-CZ2 3.2Å; D286-W288 VanDerWaalsContact C-N 3.27Å; D286-W288 PolarHBondContact O-N 3.29Å; W288-T421 HydrophobicContact CH2-CG2 3.35Å; W288-T421 HydrophobicContact CZ2-CG2 3.59Å; W288-N422 PolarHBondContact NE1-OD1 3.49Å; W288-L425 HydrophobicContact CD2-CD2 3.74Å; W288-L425 HydrophobicContact CE3-CD2 3.83Å; W288-L425 HydrophobicContact CG-CD2 4.34Å; W288-L425 HydrophobicContact CH2-CD2 3.96Å; W288-L425 HydrophobicContact CZ2-CD2 3.84Å; W288-L425 HydrophobicContact CZ3-CD2 3.96Å
289L76.2Confident65.5Low17 Ų1780.3 Ų80.39%0.08945%0.447CS..BIsolated β-bridgetrans-105.8138.9174.9-61.7-176.9000109.2T71 Y192 V273 K277 A287T71-L289 WeakPolarHBondContact CG2-O 3.47Å; Y192-L289 HydrophobicContact CD1-CD2 3.89Å; Y192-L289 HydrophobicContact CG-CD2 4.35Å; V273-L289 HydrophobicContact CG1-CD2 3.84Å; K277-L289 HydrophobicContact CD-CD1 3.71Å; K277-L289 HydrophobicContact CD-CD2 4.36Å; K277-L289 HydrophobicContact CD-CG 3.59Å; A287-L289 VanDerWaalsContact C-N 3.32Å; A287-L289 PolarHBondContact O-N 3.3Å
290N78.1Confident66.1Low1 Ų183.1 Ų83.11%0.00545%0.454CS..  trans-63138.3169.7-161.6-49.7000109.2E70 P191 Y192 E193 T292 E293E70-N290 WeakPolarHBondContact CB-OD1 3.39Å; E70-N290 WeakPolarHBondContact CG-OD1 3.19Å; E70-N290 PolarHBondContact OE2-ND2 2.98Å; P191-N290 HydrophobicContact CB-CB 4.44Å; Y192-N290 WeakPolarHBondContact O-CB 3.15Å; Y192-N290 PolarHBondContact O-N 2.87Å; E193-N290 HydrophobicContact CB-CB 3.8Å; E193-N290 HydrophobicContact CG-CB 4.46Å; N290-T292 WeakPolarHBondContact CB-OG1 3.18Å; N290-T292 PolarHBondContact O-N 2.68Å; N290-T292 PolarHBondContact OD1-N 3.06Å; N290-T292 PolarHBondContact OD1-OG1 2.59Å; N290-E293 HydrophobicContact CB-CG 4.46Å; N290-E293 WeakPolarHBondContact O-CB 3.5Å; N290-E293 PolarHBondContact O-N 2.99Å
291P78.7Confident67Low37 Ų3781.4 Ų81.424%0.2444%0.435CS..THydrogen-bonded Turntrans-65.2-4177.9-22.134.6000115R55 T71 Y75R55-P291 PolarHBondContact NH1-O 2.89Å; T71-P291 HydrophobicContact CG2-CG 4.25Å; Y75-P291 HydrophobicContact CE2-CB 3.99Å; Y75-P291 HydrophobicContact CE2-CG 4.01Å
292T76Confident68Low50 Ų5079.4 Ų79.431%0.30742%0.421SS..THydrogen-bonded Turntrans-76.1-24.5167.453.10000112.5Y110 E193 N290Y110-T292 HydrophobicContact CD2-CG2 3.97Å; Y110-T292 HydrophobicContact CE2-CG2 4.09Å; E193-T292 WeakPolarHBondContact OE1-CB 3.31Å; E193-T292 PolarHBondContact OE1-OG1 3.23Å; N290-T292 WeakPolarHBondContact CB-OG1 3.18Å; N290-T292 PolarHBondContact O-N 2.68Å; N290-T292 PolarHBondContact OD1-N 3.06Å; N290-T292 PolarHBondContact OD1-OG1 2.59Å
293E77.2Confident69.1Low25 Ų2573.6 Ų73.612%0.11739%0.388CS..SBendtrans-78137.8174.6-63.8-64.1132.700111.2Y192 E194 N290 E295Y192-E293 HydrophobicContact CD1-CG 4.43Å; E194-E293 WeakPolarHBondContact CB-OE1 3.42Å; E194-E293 PolarHBondContact N-OE1 2.86Å; N290-E293 HydrophobicContact CB-CG 4.46Å; N290-E293 WeakPolarHBondContact O-CB 3.5Å; N290-E293 PolarHBondContact O-N 2.99Å; E293-E295 PolarHBondContact O-N 3.09Å
294E62.9Low70Confident154 Ų15474.9 Ų74.972%0.7239%0.391SS*.  trans-67.8127172.7-67-172.1175.300110.1K296 F297E294-K296 PolarHBondContact O-N 3.42Å; E294-F297 HydrophobicContact CB-CE1 4.34Å; E294-F297 HydrophobicContact CB-CZ 4.08Å
295E55.2Low70.9Confident157 Ų15775.9 Ų75.973%0.73439%0.393SS*.SBendtrans-63.7-5.3-159.6-94.1-172.9162.700117.2E293E293-E295 PolarHBondContact O-N 3.09Å
296K56.3Low71.7Confident180 Ų18071.7 Ų71.778%0.78336%0.356SS*.  trans-149.875.9-169.5-65.9-177.3-176.5168.40113.3E294 S298E294-K296 PolarHBondContact O-N 3.42Å; K296-S298 PolarHBondContact O-N 3.35Å
297F64.3Low72.3Confident49 Ų4971.5 Ų71.522%0.21536%0.355CS..  trans-82.1113162.2-56.4-59000110R270 E294 N302R270-F297 VanDerWaalsContact NH2-CZ 3.32Å; E294-F297 HydrophobicContact CB-CE1 4.34Å; E294-F297 HydrophobicContact CB-CZ 4.08Å; F297-N302 WeakPolarHBondContact CB-OD1 3.19Å; F297-N302 PolarHBondContact O-ND2 3.48Å
298S68.6Low72.8Confident54 Ų5474.1 Ų74.138%0.37836%0.361SS..  trans-61161.3172.166.30000111.4K296 E300 E301 N302K296-S298 PolarHBondContact O-N 3.35Å; S298-E300 PolarHBondContact O-N 3.32Å; S298-E301 VanDerWaalsContact CB-OE2 3.3Å; S298-E301 WeakPolarHBondContact CB-OE2 3.41Å; S298-E301 PolarHBondContact N-OE2 3.24Å; S298-E301 PolarHBondContact O-N 3.49Å; S298-E301 WeakPolarHBondContact OG-CG 3.49Å; S298-E301 PolarHBondContact OG-N 2.84Å; S298-E301 PolarHBondContact OG-OE2 3.23Å; S298-N302 PolarHBondContact O-N 3.31Å; S298-N302 VanDerWaalsContact O-N 3.09Å; S298-N302 PolarHBondContact O-ND2 3.37Å
299H72.4Confident72.8Confident137 Ų13774.4 Ų74.463%0.63436%0.364SS*.Hα-helixtrans-54.2-39172.5178.970.4000111.8N302 M303H299-N302 PolarHBondContact O-N 3.15Å; H299-M303 WeakPolarHBondContact O-CB 3.48Å; H299-M303 VanDerWaalsContact O-CG 3.3Å; H299-M303 WeakPolarHBondContact O-CG 3.39Å; H299-M303 PolarHBondContact O-N 3.48Å
300E70.9Confident72.8Confident157 Ų15774.2 Ų74.273%0.73436%0.364SS*.Hα-helixtrans-66.2-43.9-179.8-171.7168.5-170.500112.3S298 M303 Q304S298-E300 PolarHBondContact O-N 3.32Å; E300-M303 PolarHBondContact O-N 3.12Å; E300-Q304 WeakPolarHBondContact O-CB 3.45Å; E300-Q304 PolarHBondContact O-N 3.43Å
301E74.6Confident72.8Confident90 Ų9077.2 Ų77.242%0.42139%0.385SS..Hα-helixtrans-63.8-42.3176.7-72.3161.2133.400112.1S298 Q304 Y305S298-E301 VanDerWaalsContact CB-OE2 3.3Å; S298-E301 WeakPolarHBondContact CB-OE2 3.41Å; S298-E301 PolarHBondContact N-OE2 3.24Å; S298-E301 PolarHBondContact O-N 3.49Å; S298-E301 WeakPolarHBondContact OG-CG 3.49Å; S298-E301 PolarHBondContact OG-N 2.84Å; S298-E301 PolarHBondContact OG-OE2 3.23Å; E301-Q304 PolarHBondContact O-N 2.86Å; E301-Y305 PolarHBondContact O-N 3.45Å
302N76.3Confident72.7Confident5 Ų577.2 Ų77.23%0.02739%0.387CS..Hα-helixtrans-63.8-42.4176.1-68.1-46.8000111.4R270 C274 F297 S298 H299 Y305 L306R270-N302 PolarHBondContact NE-OD1 2.89Å; C274-N302 VanDerWaalsContact CB-ND2 3.31Å; C274-N302 WeakPolarHBondContact CB-ND2 3.37Å; F297-N302 WeakPolarHBondContact CB-OD1 3.19Å; F297-N302 PolarHBondContact O-ND2 3.48Å; S298-N302 PolarHBondContact O-N 3.31Å; S298-N302 VanDerWaalsContact O-N 3.09Å; S298-N302 PolarHBondContact O-ND2 3.37Å; H299-N302 PolarHBondContact O-N 3.15Å; N302-Y305 PolarHBondContact O-N 3Å; N302-L306 PolarHBondContact O-N 2.51Å
303M77.9Confident72.7Confident62 Ų6276.2 Ų76.231%0.30538%0.379SS..Hα-helixtrans-66.7-36.5175.8-73.1-55.5-56.100112.3H299 E300 L306 N307H299-M303 WeakPolarHBondContact O-CB 3.48Å; H299-M303 VanDerWaalsContact O-CG 3.3Å; H299-M303 WeakPolarHBondContact O-CG 3.39Å; H299-M303 PolarHBondContact O-N 3.48Å; E300-M303 PolarHBondContact O-N 3.12Å; M303-L306 HydrophobicContact CE-CD2 4.33Å; M303-L306 PolarHBondContact O-N 3.47Å; M303-L306 HydrophobicContact SD-CD2 4.38Å; M303-N307 WeakPolarHBondContact O-CB 3.47Å; M303-N307 VanDerWaalsContact O-CG 3.27Å; M303-N307 PolarHBondContact O-N 3.02Å; M303-N307 PolarHBondContact O-ND2 3.16Å
304Q76.3Confident72.3Confident119 Ų11982.7 Ų82.756%0.55640%0.403SS*.Hα-helixtrans-62.7-46.4174.2-175.9177.30.400110.8E300 E301 L306 N307 L308E300-Q304 WeakPolarHBondContact O-CB 3.45Å; E300-Q304 PolarHBondContact O-N 3.43Å; E301-Q304 PolarHBondContact O-N 2.86Å; Q304-L306 PolarHBondContact O-N 3.04Å; Q304-N307 PolarHBondContact O-N 3.18Å; Q304-L308 HydrophobicContact CG-CD1 4.18Å; Q304-L308 VanDerWaalsContact O-CG 3.31Å; Q304-L308 WeakPolarHBondContact O-CG 3.32Å; Q304-L308 PolarHBondContact O-N 3.46Å
305Y76.5Confident72.5Confident51 Ų5182.6 Ų82.620%0.240%0.4CS..Hα-helixtrans-59.3-46.9176.7-172.4-93.4000111.8E194 A267 E301 N302 N307 L308 A309E194-Y305 WeakPolarHBondContact OE1-CE2 3.15Å; E194-Y305 PolarHBondContact OE1-OH 3.27Å; A267-Y305 HydrophobicContact CB-CD1 3.44Å; A267-Y305 VanDerWaalsContact CB-CD1 3.44Å; A267-Y305 HydrophobicContact CB-CE1 3.64Å; E301-Y305 PolarHBondContact O-N 3.45Å; N302-Y305 PolarHBondContact O-N 3Å; Y305-N307 PolarHBondContact O-N 3Å; Y305-L308 PolarHBondContact O-N 2.85Å; Y305-A309 PolarHBondContact O-N 2.96Å
306L75.3Confident72.8Confident18 Ų1877.5 Ų77.59%0.09438%0.379CS..Hα-helixtrans-59.7-45.4175.8-179.362.1000112.6V264 A267 V268 N302 M303 Q304 L308 A309 V310 L441V264-L306 HydrophobicContact CG1-CD1 4.26Å; A267-L306 HydrophobicContact CB-CB 4.05Å; A267-L306 HydrophobicContact CB-CD1 3.63Å; A267-L306 HydrophobicContact CB-CG 4.47Å; V268-L306 HydrophobicContact CG2-CD1 3.84Å; N302-L306 PolarHBondContact O-N 2.51Å; M303-L306 HydrophobicContact CE-CD2 4.33Å; M303-L306 PolarHBondContact O-N 3.47Å; M303-L306 HydrophobicContact SD-CD2 4.38Å; Q304-L306 PolarHBondContact O-N 3.04Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 2.96Å; L306-A309 PolarHBondContact O-N 3.5Å; L306-V310 HydrophobicContact CD1-CG2 4.31Å; L306-V310 WeakPolarHBondContact O-CG2 3.44Å; L306-V310 PolarHBondContact O-N 2.84Å; L306-L441 HydrophobicContact CD1-CD1 4.37Å; L306-L441 HydrophobicContact CD2-CD1 4.48Å
307N77.3Confident72.8Confident80 Ų8071 Ų7143%0.42836%0.363SS..Hα-helixtrans-63.6-38.6178.2-77.5-48.1000112.2M303 Q304 Y305 S311M303-N307 WeakPolarHBondContact O-CB 3.47Å; M303-N307 VanDerWaalsContact O-CG 3.27Å; M303-N307 PolarHBondContact O-N 3.02Å; M303-N307 PolarHBondContact O-ND2 3.16Å; Q304-N307 PolarHBondContact O-N 3.18Å; Y305-N307 PolarHBondContact O-N 3Å; N307-S311 VanDerWaalsContact O-CB 3.25Å; N307-S311 WeakPolarHBondContact O-CB 3.31Å; N307-S311 PolarHBondContact O-N 3.43Å; N307-S311 PolarHBondContact O-OG 3.45Å
308L80.6Confident72.4Confident110 Ų11074 Ų7458%0.57638%0.381SS*.Hα-helixtrans-64.7-45.8175.4-72.9171.7000111.2Q304 Y305 L306 S311 A312Q304-L308 HydrophobicContact CG-CD1 4.18Å; Q304-L308 VanDerWaalsContact O-CG 3.31Å; Q304-L308 WeakPolarHBondContact O-CG 3.32Å; Q304-L308 PolarHBondContact O-N 3.46Å; Y305-L308 PolarHBondContact O-N 2.85Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 2.96Å; L308-S311 PolarHBondContact O-N 3.24Å; L308-A312 PolarHBondContact O-N 3.41Å
309A77Confident71.3Confident10 Ų1076.6 Ų76.68%0.08340%0.398CS..Hα-helixtrans-60.7-47.1177.600000112.1R263 V264 A267 Y305 L306 S311 A312 Q313R263-A309 HydrophobicContact CB-CB 4.39Å; V264-A309 HydrophobicContact CG2-CB 3.9Å; A267-A309 HydrophobicContact CB-CB 4.28Å; Y305-A309 PolarHBondContact O-N 2.96Å; L306-A309 PolarHBondContact O-N 3.5Å; A309-S311 VanDerWaalsContact C-N 3.31Å; A309-S311 PolarHBondContact O-N 3.09Å; A309-A312 PolarHBondContact O-N 3.25Å; A309-Q313 PolarHBondContact O-N 2.95Å
310V76.8Confident70.1Confident13 Ų1377 Ų778%0.07940%0.4CS..Hα-helixtrans-63.1-38.7177.11720000111.4V264 L306 R314 L442 H445V264-V310 HydrophobicContact CG1-CG2 3.87Å; V264-V310 HydrophobicContact CG2-CG2 4.09Å; L306-V310 HydrophobicContact CD1-CG2 4.31Å; L306-V310 WeakPolarHBondContact O-CG2 3.44Å; L306-V310 PolarHBondContact O-N 2.84Å; V310-R314 PolarHBondContact O-N 3.15Å; V310-L442 HydrophobicContact CG1-CD2 4.46Å; V310-H445 HydrophobicContact CG1-CB 4.08Å
311S77.6Confident68.4Low64 Ų6474.4 Ų74.445%0.44840%0.399SS..Hα-helixtrans-67.1-38.6178.6-63.80000112.6N307 L308 A309 R314 K315N307-S311 VanDerWaalsContact O-CB 3.25Å; N307-S311 WeakPolarHBondContact O-CB 3.31Å; N307-S311 PolarHBondContact O-N 3.43Å; N307-S311 PolarHBondContact O-OG 3.45Å; L308-S311 PolarHBondContact O-N 3.24Å; A309-S311 VanDerWaalsContact C-N 3.31Å; A309-S311 PolarHBondContact O-N 3.09Å; S311-R314 PolarHBondContact O-N 3.46Å; S311-K315 PolarHBondContact O-N 3.43Å
312A76.4Confident66.5Low36 Ų3679.2 Ų79.230%0.29842%0.419SS..Hα-helixtrans-60.6-51.5175.200000111L308 A309 R314 K315 T316L308-A312 PolarHBondContact O-N 3.41Å; A309-A312 PolarHBondContact O-N 3.25Å; A312-R314 PolarHBondContact O-N 2.85Å; A312-R314 VanDerWaalsContact O-N 3.11Å; A312-K315 PolarHBondContact O-N 3.48Å; A312-T316 PolarHBondContact O-N 3.03Å; A312-T316 PolarHBondContact O-OG1 3.22Å
313Q76.1Confident64.5Low30 Ų3084.9 Ų84.914%0.1446%0.456CS..Hα-helixtrans-56.9-30177.8-177.45881.600114.1D260 A261 V264 A309 T316 G317 L442D260-Q313 VanDerWaalsContact C-OE1 3.27Å; D260-Q313 HydrophobicContact CB-CB 3.92Å; D260-Q313 HydrophobicContact CB-CG 4.31Å; A261-Q313 VanDerWaalsContact CA-OE1 3.23Å; V264-Q313 HydrophobicContact CG2-CB 4.45Å; A309-Q313 PolarHBondContact O-N 2.95Å; Q313-T316 PolarHBondContact O-OG1 2.92Å; Q313-G317 PolarHBondContact O-N 3.31Å; Q313-L442 HydrophobicContact CB-CD2 4.18Å; Q313-L442 HydrophobicContact CG-CD1 4.23Å; Q313-L442 HydrophobicContact CG-CD2 3.72Å
314R68.8Low62.3Low161 Ų16187.1 Ų87.161%0.60848%0.477SS*.Hα-helixtrans-74.1-39.3177.3-174.7179.3175.1-171.90.3112.2V310 S311 A312 G317 L318V310-R314 PolarHBondContact O-N 3.15Å; S311-R314 PolarHBondContact O-N 3.46Å; A312-R314 PolarHBondContact O-N 2.85Å; A312-R314 VanDerWaalsContact O-N 3.11Å; R314-G317 PolarHBondContact O-N 3.16Å; R314-L318 HydrophobicContact CG-CD1 4.17Å; R314-L318 PolarHBondContact O-N 3.01Å; R314-L318 VanDerWaalsContact O-N 3.12Å
315K66.4Low60.5Low152 Ų15287.3 Ų87.366%0.66149%0.489SS*.Hα-helixtrans-64.2-44.8-179-72.3178.1-178.71770110.9S311 A312 L318 C319S311-K315 PolarHBondContact O-N 3.43Å; A312-K315 PolarHBondContact O-N 3.48Å; K315-L318 PolarHBondContact O-N 2.81Å; K315-C319 PolarHBondContact O-N 3.39Å
316T62Low58.5Low49 Ų4990.4 Ų90.430%0.30151%0.509SS..Hα-helixtrans-62-42.9174.239.80000112.2D260 A312 Q313 L318 C319 H320D260-T316 WeakPolarHBondContact OD2-CB 3.39Å; D260-T316 WeakPolarHBondContact OD2-CG2 3.33Å; D260-T316 PolarHBondContact OD2-OG1 3.08Å; A312-T316 PolarHBondContact O-N 3.03Å; A312-T316 PolarHBondContact O-OG1 3.22Å; Q313-T316 PolarHBondContact O-OG1 2.92Å; T316-L318 VanDerWaalsContact C-N 3.3Å; T316-L318 PolarHBondContact O-N 2.97Å; T316-C319 PolarHBondContact O-N 3.5Å; T316-H320 PolarHBondContact O-N 2.84Å
317G57.5Low56.5Low43 Ų4395.4 Ų95.444%0.44354%0.542SS..Hα-helixtrans-61.6-29.9176.200000115.1Q313 R314Q313-G317 PolarHBondContact O-N 3.31Å; R314-G317 PolarHBondContact O-N 3.16Å
318L55.8Low54.7Low114 Ų114102.1 Ų102.160%0.59756%0.562SS**Hα-helixtrans-76.7-35.7176.1-76.3159.4000112.5R314 K315 T316 H320 S321R314-L318 HydrophobicContact CG-CD1 4.17Å; R314-L318 PolarHBondContact O-N 3.01Å; R314-L318 VanDerWaalsContact O-N 3.12Å; K315-L318 PolarHBondContact O-N 2.81Å; T316-L318 VanDerWaalsContact C-N 3.3Å; T316-L318 PolarHBondContact O-N 2.97Å; L318-H320 VanDerWaalsContact C-N 3.27Å; L318-H320 PolarHBondContact O-N 3.41Å; L318-S321 PolarHBondContact O-OG 3.23Å
319C45.9Very low52.7Low107 Ų107101.4 Ų101.472%0.72357%0.571SS**Hα-helixtrans-70-19.9177.5-72.30000113.7K315 T316K315-C319 PolarHBondContact O-N 3.39Å; T316-C319 PolarHBondContact O-N 3.5Å
320H46Very low50.8Low147 Ų147107 Ų10768%0.68161%0.605SS**THydrogen-bonded Turntrans-100.126.2-177.8-74.426.9000114.2T316 L318 K322T316-H320 PolarHBondContact O-N 2.84Å; L318-H320 VanDerWaalsContact C-N 3.27Å; L318-H320 PolarHBondContact O-N 3.41Å; H320-K322 PolarHBondContact O-N 3.46Å
321S36Very low49Very low102 Ų102115.2 Ų115.271%0.71364%0.642SS**  trans-69.4111.717045.70000110.7L318L318-S321 PolarHBondContact O-OG 3.23Å
322K33.6Very low47Very low191 Ų191118 Ų11883%0.8366%0.659SS**  trans-43.3141.9-168.2-67.8175.6175.4176.20116.6H320H320-K322 PolarHBondContact O-N 3.46Å
323P34.5Very low45.5Very low124 Ų124119.8 Ų119.881%0.80567%0.673SS**PPolyproline II helixtrans-69.714615320.8-12.9000110.5
324S31.6Very low43.7Very low108 Ų108127 Ų12776%0.75570%0.704SS**PPolyproline II helixtrans-52.8142.1-177.156.30000113.4D326S324-D326 PolarHBondContact O-N 2.96Å
325P38.4Very low43.2Very low124 Ų124127.8 Ų127.881%0.80571%0.707SS**PPolyproline II helixtrans-69129.1178.327.7-32.2000111.7
326D34.7Very low42.7Very low116 Ų116123.7 Ų123.762%0.6269%0.693SS**PPolyproline II helixtrans-59.5126.5169.2-179-12000110.1S324 R328S324-D326 PolarHBondContact O-N 2.96Å; D326-R328 PolarHBondContact O-N 3Å; D326-R328 PolarHBondContact OD1-N 3.45Å
327P34.1Very low41.8Very low122 Ų122127.7 Ų127.779%0.79272%0.722SS**THydrogen-bonded Turntrans-68.99.6-17526.4-33.7000115.7
328R37.9Very low41.2Very low222 Ų222130.3 Ų130.384%0.83873%0.733SS**THydrogen-bonded Turntrans-100.72.6-179.3-65.1-172.1-160.5-1787.5116.9D326 T330D326-R328 PolarHBondContact O-N 3Å; D326-R328 PolarHBondContact OD1-N 3.45Å; R328-T330 PolarHBondContact O-N 2.86Å
329A39.2Very low40.5Very low94 Ų94126.8 Ų126.878%0.77772%0.724SS**  trans-95.568.517900000113
330T38.1Very low40.4Very low128 Ų128130.7 Ų130.779%0.78572%0.724SS**  trans-125.883.816625.70000110.7R328R328-T330 PolarHBondContact O-N 2.86Å
331Q37.6Very low40Very low185 Ų185129 Ų12986%0.86472%0.719SS**  trans-137.1140.4156-72.7-164.81.600110.1
332P36Very low39.9Very low124 Ų124132.4 Ų132.481%0.80572%0.721SS**PPolyproline II helixtrans-68.4134.3-174.725.7-31.6000111.7K334P332-K334 PolarHBondContact O-N 2.99Å
333A44.4Very low40.2Very low72 Ų72131.3 Ų131.360%0.59572%0.723SS**PPolyproline II helixtrans-62.6120.9179.100000111.2L341A333-L341 HydrophobicContact CB-CD2 3.59Å
334K40.2Very low40.2Very low182 Ų182137.2 Ų137.279%0.79173%0.73SS**PPolyproline II helixtrans-77.2128.2172.6-71.2-176.2178.6-179.60109.7P332P332-K334 PolarHBondContact O-N 2.99Å
335R57.3Low40.7Very low177 Ų177135.3 Ų135.367%0.66873%0.727SS**BIsolated β-bridgetrans-94.9150.8175.2-62.2-179.8-179-137.54.2110.1R340R335-R340 VanDerWaalsContact CA-O 3.3Å; R335-R340 WeakPolarHBondContact CA-O 3.47Å
336D55.6Low40.9Very low67 Ų67136.8 Ų136.836%0.35873%0.728SS.*  trans-78.1175.6170.763.716.8000111.9C338 G339 R340D336-C338 PolarHBondContact O-N 3.14Å; D336-C338 WeakPolarHBondContact OD1-CA 3.43Å; D336-C338 WeakPolarHBondContact OD1-CB 3.38Å; D336-C338 PolarHBondContact OD1-N 2.99Å; D336-G339 PolarHBondContact O-N 3.35Å; D336-G339 PolarHBondContact OD1-N 3.15Å; D336-R340 PolarHBondContact N-O 3.2Å; D336-R340 PolarHBondContact OD1-N 3.34Å
337S44.1Very low41.8Very low132 Ų132134.9 Ų134.992%0.92374%0.736SS**THydrogen-bonded Turntrans-62.5-6.4177.248.20000113.9
338C44.4Very low43.7Very low99 Ų99132.8 Ų132.867%0.66972%0.721SS**THydrogen-bonded Turntrans-106.1-0.6179.8-370000111.7D336D336-C338 PolarHBondContact O-N 3.14Å; D336-C338 WeakPolarHBondContact OD1-CA 3.43Å; D336-C338 WeakPolarHBondContact OD1-CB 3.38Å; D336-C338 PolarHBondContact OD1-N 2.99Å
339G40.5Very low46Very low40 Ų40133.2 Ų133.241%0.41272%0.722SS.*SBendtrans80.77.5179.700000115.6D336D336-G339 PolarHBondContact O-N 3.35Å; D336-G339 PolarHBondContact OD1-N 3.15Å
340R44.3Very low48.4Very low188 Ų188130.2 Ų130.271%0.70969%0.693SS**  trans-82.3146.5177.9-68.1-175.1178.6-166.7-0.5111.9R335 D336 K342R335-R340 VanDerWaalsContact CA-O 3.3Å; R335-R340 WeakPolarHBondContact CA-O 3.47Å; D336-R340 PolarHBondContact N-O 3.2Å; D336-R340 PolarHBondContact OD1-N 3.34Å; R340-K342 PolarHBondContact O-N 2.73Å
341L36.9Very low51.1Low113 Ų113126.8 Ų126.859%0.59267%0.673SS**BIsolated β-bridgetrans-70.1123.9170.7-77.8161000108.9A333 L343A333-L341 HydrophobicContact CB-CD2 3.59Å; L341-L343 PolarHBondContact O-N 3.04Å
342K33.8Very low53.9Low173 Ų173122.3 Ų122.375%0.75265%0.651SS**  trans-70.795.1176.4-147177.5-170.8-179.50108.8R340 R344R340-K342 PolarHBondContact O-N 2.73Å; K342-R344 PolarHBondContact O-N 3.1Å
343L41.5Very low56.6Low167 Ų167118.3 Ų118.387%0.87463%0.632SS**  trans-60.2120.2165.4-77.4162.2000107L341 G345L341-L343 PolarHBondContact O-N 3.04Å; L343-G345 VanDerWaalsContact C-N 3.29Å; L343-G345 PolarHBondContact O-N 3.35Å
344R34.1Very low58.9Low248 Ų248122 Ų12294%0.93664%0.637SS**  trans-67.193.9168.9-84.7-175.4177.8-121.85107.1K342 D346K342-R344 PolarHBondContact O-N 3.1Å; R344-D346 PolarHBondContact O-N 2.92Å
345G41.3Very low61.6Low68 Ų68116 Ų11670%0.70161%0.611SS**  trans-74.9104.9163.400000108.4L343 G347L343-G345 VanDerWaalsContact C-N 3.29Å; L343-G345 PolarHBondContact O-N 3.35Å; G345-G347 VanDerWaalsContact C-N 3.3Å; G345-G347 PolarHBondContact O-N 3.5Å; G345-G347 VanDerWaalsContact O-N 3.17Å
346D43Very low63.5Low156 Ų156107.5 Ų107.583%0.83458%0.58SS**  trans-65.9103.6146.4-83.2-19.2000104.9R344 V348R344-D346 PolarHBondContact O-N 2.92Å; D346-V348 PolarHBondContact O-N 3.41Å
347G54.2Low65.6Low75 Ų75107.8 Ų107.877%0.77358%0.58SS**  trans-66.794.5-173.600000110.8G345 R349G345-G347 VanDerWaalsContact C-N 3.3Å; G345-G347 PolarHBondContact O-N 3.5Å; G345-G347 VanDerWaalsContact O-N 3.17Å; G347-R349 PolarHBondContact O-N 3.44Å
348V72.9Confident68.1Low78 Ų78104 Ų10447%0.47355%0.553SS.*  trans-62.3116.6171.4178.60000108.2W17 H21 D346W17-V348 HydrophobicContact CH2-CG1 3.47Å; W17-V348 VanDerWaalsContact CH2-CG1 3.47Å; W17-V348 HydrophobicContact CZ2-CG1 3.45Å; W17-V348 VanDerWaalsContact CZ2-CG1 3.45Å; H21-V348 HydrophobicContact CB-CG1 4.29Å; D346-V348 PolarHBondContact O-N 3.41Å
349R85.8Confident70.6Confident231 Ų23199.9 Ų99.987%0.87252%0.524SS*.  trans-95.4104.8179.5-171.8176.2-179.6176.7-0.2109.3G347G347-R349 PolarHBondContact O-N 3.44Å
350L91.4Very high73.1Confident31 Ų31104 Ų10416%0.16253%0.531CS..  trans-65.4146.6174.6-71.6168.4000111.4W17 I18 H21 L22 F352W17-L350 HydrophobicContact CZ3-CD2 4.37Å; I18-L350 HydrophobicContact CG2-CD2 4.36Å; H21-L350 HydrophobicContact CB-CD2 3.94Å; L22-L350 HydrophobicContact CD2-CD1 3.62Å; L22-L350 HydrophobicContact CG-CD1 4.14Å; L22-L350 HydrophobicContact CG-CD2 4.42Å; L350-F352 HydrophobicContact CB-CD2 3.91Å; L350-F352 HydrophobicContact CB-CE2 3.71Å; L350-F352 HydrophobicContact CB-CZ 4.23Å; L350-F352 HydrophobicContact CD1-CE2 3.75Å; L350-F352 HydrophobicContact CD1-CZ 3.76Å; L350-F352 HydrophobicContact CG-CE2 4.4Å; L350-F352 PolarHBondContact O-N 2.96Å
351P93.8Very high75.4Confident56 Ų5695.6 Ų95.636%0.36450%0.501SS..  trans-82.451.5-176.936-36.8000112F10 I18 L356F10-P351 HydrophobicContact CE1-CB 4.27Å; F10-P351 HydrophobicContact CE1-CG 4.05Å; F10-P351 HydrophobicContact CZ-CG 4.42Å; I18-P351 HydrophobicContact CD1-CG 3.52Å; I18-P351 HydrophobicContact CG1-CG 3.75Å; P351-L356 HydrophobicContact CG-CD2 4.26Å
352F95.7Very high77.5Confident92 Ų9295.2 Ų95.240%0.40450%0.496SS..  trans-59.9139.8173.1-68.1-62.6000110.7L22 A26 L350 L356 P358L22-F352 HydrophobicContact CD2-CE1 3.98Å; L22-F352 HydrophobicContact CD2-CZ 3.78Å; A26-F352 HydrophobicContact CB-CE1 4.26Å; L350-F352 HydrophobicContact CB-CD2 3.91Å; L350-F352 HydrophobicContact CB-CE2 3.71Å; L350-F352 HydrophobicContact CB-CZ 4.23Å; L350-F352 HydrophobicContact CD1-CE2 3.75Å; L350-F352 HydrophobicContact CD1-CZ 3.76Å; L350-F352 HydrophobicContact CG-CE2 4.4Å; L350-F352 PolarHBondContact O-N 2.96Å; F352-L356 WeakPolarHBondContact CA-O 3.45Å; F352-L356 HydrophobicContact CD1-CD2 3.95Å; F352-L356 HydrophobicContact CD1-CG 3.81Å; F352-L356 HydrophobicContact CE1-CD2 4.13Å; F352-L356 HydrophobicContact CE1-CG 4.08Å; F352-P358 HydrophobicContact CD1-CB 4.08Å; F352-P358 HydrophobicContact CD1-CG 4.07Å; F352-P358 HydrophobicContact CE1-CB 3.77Å; F352-P358 HydrophobicContact CE1-CG 4.27Å; F352-P358 HydrophobicContact CG-CG 4.44Å; F352-P358 HydrophobicContact CZ-CB 4.17Å
353G93.4Very high79.3Confident40 Ų4092.7 Ų92.741%0.41249%0.491SS..BIsolated β-bridgetrans164.5-152.1-174.300000111.6H355 L356 I357G353-H355 PolarHBondContact O-N 3Å; G353-L356 PolarHBondContact N-O 3.31Å; G353-L356 CarbonylContact O-C 3.55Å; G353-L356 PolarHBondContact O-N 3.33Å; G353-L356 VanDerWaalsContact O-O 3.07Å; G353-I357 WeakPolarHBondContact O-CD1 3.48Å
354E93.6Very high80.1Confident148 Ų14890.5 Ų90.569%0.69248%0.48SS*.THydrogen-bonded Turntrans-56.9-26.7-174.1-169.7-178.1156.800114.5L29L29-E354 WeakPolarHBondContact CD1-O 3.48Å
355H96.6Very high80.7Confident56 Ų5684 Ų8426%0.25946%0.46SS..THydrogen-bonded Turntrans-112.9-7.3-173.6-54.8-40.8000114.3P9 F10 F28 L29 G353P9-H355 HydrophobicContact CB-CB 3.57Å; P9-H355 HydrophobicContact CG-CB 3.9Å; F10-H355 HydrophobicContact CE2-CB 3.86Å; F10-H355 HydrophobicContact CZ-CB 4.05Å; F28-H355 WeakPolarHBondContact CA-O 3.45Å; L29-H355 PolarHBondContact N-O 2.79Å; G353-H355 PolarHBondContact O-N 3Å
356L97.8Very high80.6Confident0 Ų086 Ų860%046%0.46CS..EExtended strand (participates in β ladder)trans-140106.3176.9-179.466.2000108.8F10 I18 L22 A26 V27 F28 P351 F352 G353F10-L356 HydrophobicContact CE2-CB 4.1Å; F10-L356 HydrophobicContact CZ-CB 4.07Å; I18-L356 HydrophobicContact CG2-CD2 3.68Å; L22-L356 HydrophobicContact CD1-CD1 4.37Å; A26-L356 HydrophobicContact CB-CD1 3.81Å; V27-L356 WeakPolarHBondContact O-CA 3.41Å; F28-L356 HydrophobicContact CD1-CD1 3.9Å; F28-L356 HydrophobicContact CD2-CD1 4.06Å; F28-L356 HydrophobicContact CE1-CD1 3.72Å; F28-L356 HydrophobicContact CE2-CD1 3.87Å; F28-L356 HydrophobicContact CG-CD1 4.07Å; F28-L356 HydrophobicContact CZ-CD1 3.71Å; P351-L356 HydrophobicContact CG-CD2 4.26Å; F352-L356 WeakPolarHBondContact CA-O 3.45Å; F352-L356 HydrophobicContact CD1-CD2 3.95Å; F352-L356 HydrophobicContact CD1-CG 3.81Å; F352-L356 HydrophobicContact CE1-CD2 4.13Å; F352-L356 HydrophobicContact CE1-CG 4.08Å; G353-L356 PolarHBondContact N-O 3.31Å; G353-L356 CarbonylContact O-C 3.55Å; G353-L356 PolarHBondContact O-N 3.33Å; G353-L356 VanDerWaalsContact O-O 3.07Å
357I97.9Very high80.3Confident73 Ų7387.6 Ų87.637%0.37446%0.463SS..EExtended strand (participates in β ladder)trans-108.6121.6-174-54.6-68000109.1A26 V27 L29 G353A26-I357 CarbonylContact C-O 3.59Å; A26-I357 VanDerWaalsContact CA-O 3.26Å; A26-I357 WeakPolarHBondContact CA-O 3.17Å; V27-I357 PolarHBondContact N-O 3.03Å; V27-I357 PolarHBondContact O-N 3.12Å; L29-I357 HydrophobicContact CD1-CD1 4.46Å; L29-I357 HydrophobicContact CD1-CG1 3.76Å; L29-I357 HydrophobicContact CG-CG1 4.27Å; G353-I357 WeakPolarHBondContact O-CD1 3.48Å
358P97.3Very high79.3Confident53 Ų5393 Ų9334%0.34447%0.465SS..EExtended strand (participates in β ladder)trans-68.6140172.529.7-31.8000109.8F352 K360F352-P358 HydrophobicContact CD1-CB 4.08Å; F352-P358 HydrophobicContact CD1-CG 4.07Å; F352-P358 HydrophobicContact CE1-CB 3.77Å; F352-P358 HydrophobicContact CE1-CG 4.27Å; F352-P358 HydrophobicContact CG-CG 4.44Å; F352-P358 HydrophobicContact CZ-CB 4.17Å; P358-K360 PolarHBondContact O-N 3.27Å
359V97.1Very high77.4Confident12 Ų1295.7 Ų95.77%0.07348%0.482CS..  trans-74.8113.5171.6-174.80000108.3P25 V27 L176 H220 V222 L230P25-V359 HydrophobicContact CB-CB 4.09Å; P25-V359 HydrophobicContact CB-CG2 3.84Å; P25-V359 PolarHBondContact O-N 3.23Å; V27-V359 HydrophobicContact CG2-CG2 4.2Å; L176-V359 HydrophobicContact CD1-CG1 4.14Å; H220-V359 HydrophobicContact CB-CG1 3.87Å; H220-V359 PolarHBondContact ND1-O 3.26Å; V222-V359 HydrophobicContact CB-CG1 3.96Å; V222-V359 HydrophobicContact CB-CG2 4.17Å; V222-V359 HydrophobicContact CG1-CG1 4.11Å; V222-V359 HydrophobicContact CG1-CG2 3.93Å; L230-V359 HydrophobicContact CD1-CG2 4.01Å
360K92.6Very high74.8Confident127 Ų12790.9 Ų90.955%0.55248%0.478SS*.  trans-74.7150.3-176.3-65.6-176.6177.3-176.20112.4H220 T221 P358 E365H220-K360 VanDerWaalsContact CA-O 3.3Å; H220-K360 WeakPolarHBondContact CA-O 3.28Å; T221-K360 PolarHBondContact N-O 2.74Å; P358-K360 PolarHBondContact O-N 3.27Å; K360-E365 IonicContact NZ-OE1 3.24Å
361C93.2Very high72Confident10 Ų1094.6 Ų94.67%0.06850%0.504CS..BIsolated β-bridgetrans-71.9143.2167-168.80000109.5A219 H220 D363 D364A219-C361 CarbonylContact O-C 3.45Å; A219-C361 WeakPolarHBondContact O-CA 3.42Å; H220-C361 PolarHBondContact ND1-N 2.7Å; C361-D363 PolarHBondContact O-N 3.04Å; C361-D364 WeakPolarHBondContact CB-OD2 3.3Å; C361-D364 PolarHBondContact O-N 3.01Å
362Q81.3Confident69.1Low105 Ų105101.1 Ų101.149%0.49153%0.529SS..G310 helixtrans-63.3-30176.2-71.3-173.43.200112.5A219 T221 D364 E365A219-Q362 HydrophobicContact CB-CG 4.32Å; A219-Q362 WeakPolarHBondContact O-CG 3.31Å; A219-Q362 PolarHBondContact O-N 3.3Å; T221-Q362 PolarHBondContact OG1-NE2 2.57Å; Q362-D364 PolarHBondContact O-N 3.28Å; Q362-E365 PolarHBondContact O-N 3.23Å
363D72Confident66Low121 Ų121104.4 Ų104.465%0.64755%0.552SS**G310 helixtrans-70.6-12.2179.5-60.1-35.3000113.5C361C361-D363 PolarHBondContact O-N 3.04Å
364D57.5Low63.1Low120 Ų120107.9 Ų107.964%0.64257%0.57SS**G310 helixtrans-89.2-4.6-178.9-67.9-35.6000113.4C361 Q362C361-D364 WeakPolarHBondContact CB-OD2 3.3Å; C361-D364 PolarHBondContact O-N 3.01Å; Q362-D364 PolarHBondContact O-N 3.28Å
365E46.1Very low60.3Low113 Ų113106.4 Ų106.453%0.52858%0.575SS.*SBendtrans-85.2119.1174-74.2-74.313900109.5K360 Q362 E367K360-E365 IonicContact NZ-OE1 3.24Å; Q362-E365 PolarHBondContact O-N 3.23Å; E365-E367 PolarHBondContact O-N 2.92Å
366P38.7Very low57.1Low108 Ų108107.5 Ų107.570%0.70160%0.602SS**  trans-60.2130.217823.5-31000109.5K368P366-K368 PolarHBondContact O-N 3.19Å
367E36.8Very low53.8Low190 Ų190115.5 Ų115.589%0.88865%0.645SS**  trans-42.6111.2175.3-79.4-178.5150.400109.7E365 T369E365-E367 PolarHBondContact O-N 2.92Å; E367-T369 VanDerWaalsContact C-N 3.33Å; E367-T369 PolarHBondContact O-N 3.45Å
368K34.3Very low50.6Low188 Ų188116.9 Ų116.982%0.81767%0.667SS**  trans-65.6102.1166.5-75.6-176.6179.3174.20106.4P366 V370P366-K368 PolarHBondContact O-N 3.19Å; K368-V370 PolarHBondContact O-N 3.19Å
369T32.5Very low47.3Very low135 Ų135119 Ų11983%0.82869%0.689SS**  trans-49.2109.3167.5440000108.9E367E367-T369 VanDerWaalsContact C-N 3.33Å; E367-T369 PolarHBondContact O-N 3.45Å
370V32.1Very low44.1Very low130 Ų130125.3 Ų125.379%0.78873%0.727SS**  trans-69.6130.2167.3-177.90000106.7K368 E372K368-V370 PolarHBondContact O-N 3.19Å; V370-E372 PolarHBondContact O-N 3.16Å
371P33Very low41.2Very low110 Ų110124.7 Ų124.771%0.71474%0.739SS**  trans-67.8126.3172.8-3.418.4000108.5D373P371-D373 PolarHBondContact O-N 3.42Å; P371-D373 VanDerWaalsContact O-N 3.09Å
372E31.8Very low38.6Very low192 Ų192130.3 Ų130.390%0.89778%0.775SS**  trans-61.5106.5167.2-72.2-176.8150.300109V370 S374V370-E372 PolarHBondContact O-N 3.16Å; E372-S374 PolarHBondContact O-N 2.93Å
373D30.6Very low35.9Very low162 Ų162129.2 Ų129.287%0.86679%0.792SS**  trans-82.4104.3163.6-104.6-16.6000108.7P371 S375P371-D373 PolarHBondContact O-N 3.42Å; P371-D373 VanDerWaalsContact O-N 3.09Å; D373-S375 PolarHBondContact O-N 2.71Å
374S33.3Very low33.8Very low113 Ų113130.8 Ų130.879%0.7980%0.8SS**  trans-70.8113.5166.751.10000110.7E372E372-S374 PolarHBondContact O-N 2.93Å
375S33.5Very low32.5Very low116 Ų116133 Ų13381%0.81181%0.812SS**  trans-160.7113.8152.662.20000113.3D373D373-S375 PolarHBondContact O-N 2.71Å
376G29.2Very low31.4Very low80 Ų80130.7 Ų130.783%0.82582%0.819SS**  88.4108.4123.300000119
377D29.6Very low30.9Very low168 Ų168131.4 Ų131.490%0.89883%0.826SS**  trans-43.3145164.7-69.2-56.2000116
378A30.3Very low30.5Very low101 Ų101127.2 Ų127.284%0.83582%0.824SS**  -171.9118.5119.100000111.9
379A28.8Very low30Very low97 Ų97121.7 Ų121.780%0.80282%0.821SS**  trans-77.2136.3168.600000111.7
380V29.6Very low29.9Very low146 Ų146125.3 Ų125.389%0.88583%0.825SS**  trans-142126.2151.7-178.20000109.1
381S30.3Very low29.5Very low113 Ų113125.6 Ų125.679%0.7983%0.827SS**  trans-95.8172.5179.6-86.70000111.8
382P38.5Very low29.2Very low128 Ų128132.1 Ų132.183%0.83184%0.838SS**  trans-96.3159.1-144.637.4-34.7000115
383G25.7Very low28.8Very low82 Ų82128.9 Ų128.985%0.84583%0.831SS**  trans-119.1113.9171.300000111
384N28Very low28.5Very low154 Ų154127.7 Ų127.782%0.82483%0.834SS**  trans-82.5137.9171.5-170.838.7000109.1
385D29Very low28Very low167 Ų167125.9 Ų125.989%0.89383%0.833SS**  trans-165.7137.9147.6-107.4-17.1000111.1
386G24.9Very low27.7Very low64 Ų64124.8 Ų124.866%0.6683%0.831SS**  trans-116.7-170.6-170.900000115.4
387S27Very low27.5Very low123 Ų123128.1 Ų128.186%0.8683%0.83SS**  trans109.6139.9150.984.10000119.2
388A28.7Very low27.4Very low102 Ų102127.2 Ų127.284%0.84382%0.824SS**  trans68.5117.4161.300000117
389G24.5Very low27.3Very low73 Ų73128 Ų12875%0.75382%0.819SS**  cis102.9102.430.400000109.4
390K28.8Very low27.1Very low211 Ų211134 Ų13492%0.91782%0.821SS**  trans-164.8116.4151.7-111167.1-170.9175.80112.4
391T24.1Very low26.9Very low135 Ų135137.5 Ų137.583%0.82882%0.824SS**  trans-60.5140.6166.72.30000112.1
392R26Very low26.8Very low248 Ų248137.2 Ų137.294%0.93682%0.822SS**  trans-155.5146142.1-116.2177.7173.8-175.4-3.2111.7
393T24.9Very low26.2Very low123 Ų123135.9 Ų135.976%0.75582%0.816SS**  trans-93.9146.9-155370000115
394C22.8Very low26.3Very low138 Ų138137.7 Ų137.793%0.93281%0.814SS**  trans38.6132.8139.4-67.80000123.6
395G24.9Very low26.3Very low74 Ų74138.2 Ų138.276%0.76382%0.817SS**  trans166.379.3152.100000108.4
396A26.1Very low26.4Very low93 Ų93138 Ų13877%0.76982%0.815SS**  65.59584.400000114.1
397D25.5Very low26.8Very low151 Ų151140.2 Ų140.281%0.80783%0.827SS**  trans-178.8105.9134.7-91.9-19.8000107.2
398L26.2Very low27Very low149 Ų149138.4 Ų138.478%0.7882%0.82SS**  49.1113.480.2-70.5169.4000110.8
399T28.3Very low27.4Very low117 Ų117141 Ų14172%0.71882%0.819SS**  cis-163.7125.731.337.90000109.4
400R25.9Very low27.8Very low223 Ų223146 Ų14684%0.84282%0.823SS**  61.1114.599.4-77.2-175.4177.5174.4-1.3117.2
401F25.7Very low28.2Very low220 Ų220139.3 Ų139.397%0.96581%0.814SS**  -142.6131.7103.5-100.5-82.6000109.6
402S26.4Very low29Very low106 Ų106140.7 Ų140.774%0.74182%0.816SS**  trans-143.2135.6-176.4160.30000107
403S26.8Very low29.6Very low100 Ų100136.4 Ų136.470%0.69981%0.812SS**  trans-170.597.1132.754.70000109.9
404C28.1Very low30.4Very low121 Ų121140 Ų14082%0.81882%0.82SS**  trans-104.2113147.5-72.10000105.5L406C404-L406 PolarHBondContact O-N 2.89Å
405D27.3Very low31.5Very low164 Ų164136 Ų13688%0.87780%0.801SS**  trans-83.2104.1175.8-80.5-30.8000109.9
406L31.6Very low32.3Very low163 Ų163138.5 Ų138.585%0.85380%0.804SS**  trans-81.1121.4160.3-74161.8000107.8C404 A408C404-L406 PolarHBondContact O-N 2.89Å; L406-A408 PolarHBondContact O-N 2.95Å; L406-A408 VanDerWaalsContact O-N 3.14Å
407A33.2Very low34Very low110 Ų110139.4 Ų139.491%0.90981%0.805SS**  trans-63112.7172.700000110.4
408A31.2Very low36.1Very low86 Ų86139.7 Ų139.771%0.71181%0.806SS**  trans-90.4130.316600000109.6L406 H410L406-A408 PolarHBondContact O-N 2.95Å; L406-A408 VanDerWaalsContact O-N 3.14Å; A408-H410 PolarHBondContact O-N 3.21Å
409D37.6Very low38.2Very low155 Ų155139.3 Ų139.383%0.82980%0.803SS**  trans-69110.8175.1-17521.4000110.9
410H32.7Very low40.4Very low179 Ų179136.5 Ų136.583%0.82979%0.786SS**  trans-137.4121.5162.4-81.3-33.3000109.7A408A408-H410 PolarHBondContact O-N 3.21Å
411G36Very low42.6Very low71 Ų71127.5 Ų127.573%0.73276%0.756SS**  trans-64.2148.2-178.600000114.6
412N41.8Very low44.9Very low163 Ų163119.3 Ų119.387%0.87272%0.722SS**  trans8376.2148.4-13830.5000118.8
413N37.7Very low47.2Very low159 Ų159118 Ų11885%0.8571%0.707SS**  -176.389129.4-123.5-2.3000109.1G415N413-G415 PolarHBondContact O-N 2.98Å
414Q42.3Very low49.6Very low199 Ų199117.2 Ų117.293%0.9369%0.694SS**  trans-84.498.3172.1-71.6-171.31200108.7
415G45.3Very low52.1Low52 Ų52111.5 Ų111.554%0.53666%0.656SS.*PPolyproline II helixtrans-59.5168.5154.300000110.2N413 S417N413-G415 PolarHBondContact O-N 2.98Å; G415-S417 PolarHBondContact O-N 3.4Å; G415-S417 VanDerWaalsContact O-N 3.13Å
416P43.7Very low54.7Low127 Ų127107.1 Ų107.183%0.82563%0.632SS**PPolyproline II helixtrans-55.3125179.523.2-31.4000109.4L418P416-L418 PolarHBondContact O-N 3.32Å; P416-L418 VanDerWaalsContact O-N 3.09Å
417S61.1Low57.2Low113 Ų113103.2 Ų103.279%0.7962%0.618SS**PPolyproline II helixtrans-57.5117.4174.459.50000108G415 I419G415-S417 PolarHBondContact O-N 3.4Å; G415-S417 VanDerWaalsContact O-N 3.13Å; S417-I419 PolarHBondContact O-N 3.31Å
418L70.1Confident59.7Low156 Ų156101 Ų10182%0.81759%0.59SS**PPolyproline II helixtrans-64.9130.7175-70.2163.5000108.1P416 T420P416-L418 PolarHBondContact O-N 3.32Å; P416-L418 VanDerWaalsContact O-N 3.09Å; L418-T420 PolarHBondContact O-N 2.96Å
419I69.3Low62.3Low141 Ų14197.2 Ų97.272%0.72356%0.558SS**PPolyproline II helixtrans-67.3122.4173.1-62.6173.1000107.1S417 D423S417-I419 PolarHBondContact O-N 3.31Å; I419-D423 HydrophobicContact CG2-CB 3.97Å
420T75.3Confident64.6Low58 Ų5894 Ų9436%0.35654%0.538SS..PPolyproline II helixtrans-84.1164.1176.467.50000111.1L418 N422 D423 L424L418-T420 PolarHBondContact O-N 2.96Å; T420-N422 PolarHBondContact O-N 2.94Å; T420-N422 PolarHBondContact OG1-N 3.26Å; T420-D423 WeakPolarHBondContact CB-OD2 3.35Å; T420-D423 PolarHBondContact N-OD2 2.99Å; T420-D423 PolarHBondContact O-N 3.48Å; T420-D423 PolarHBondContact OG1-N 3.45Å; T420-D423 VanDerWaalsContact OG1-N 3.12Å; T420-D423 PolarHBondContact OG1-OD2 3.26Å; T420-L424 PolarHBondContact O-N 3.31Å
421T71.9Confident67Low34 Ų3489.2 Ų89.221%0.20952%0.523CS..Hα-helixtrans-59.3-34.2172.9-52.90000112D283 W288 L424 L425D283-T421 PolarHBondContact OD1-OG1 3.45Å; D283-T421 PolarHBondContact OD2-N 2.94Å; D283-T421 PolarHBondContact OD2-OG1 2.88Å; D283-T421 VanDerWaalsContact OD2-OG1 3.12Å; W288-T421 HydrophobicContact CH2-CG2 3.35Å; W288-T421 HydrophobicContact CZ2-CG2 3.59Å; T421-L424 PolarHBondContact O-N 3.36Å; T421-L425 WeakPolarHBondContact O-CB 3.11Å; T421-L425 PolarHBondContact O-N 3.3Å
422N73.9Confident69.2Low48 Ų4891.3 Ų91.326%0.25752%0.517SS..Hα-helixtrans-66.9-43.3175.5-68-25.5000112.4D286 W288 T420 L424 L425 D426D286-N422 PolarHBondContact OD2-ND2 3.31Å; D286-N422 PolarHBondContact OD2-OD1 2.94Å; W288-N422 PolarHBondContact NE1-OD1 3.49Å; T420-N422 PolarHBondContact O-N 2.94Å; T420-N422 PolarHBondContact OG1-N 3.26Å; N422-L424 VanDerWaalsContact C-N 3.26Å; N422-L424 PolarHBondContact O-N 2.96Å; N422-L425 PolarHBondContact O-N 2.84Å; N422-L425 VanDerWaalsContact O-N 3.15Å; N422-D426 WeakPolarHBondContact O-CB 3.34Å; N422-D426 PolarHBondContact O-N 3.09Å
423D73.8Confident71.4Confident79 Ų7987.4 Ų87.442%0.42250%0.496SS..Hα-helixtrans-58.8-40.7177.9-62.5-48000111.4I419 T420 C427I419-D423 HydrophobicContact CG2-CB 3.97Å; T420-D423 WeakPolarHBondContact CB-OD2 3.35Å; T420-D423 PolarHBondContact N-OD2 2.99Å; T420-D423 PolarHBondContact O-N 3.48Å; T420-D423 PolarHBondContact OG1-N 3.45Å; T420-D423 VanDerWaalsContact OG1-N 3.12Å; T420-D423 PolarHBondContact OG1-OD2 3.26Å; D423-C427 PolarHBondContact O-N 2.99Å; D423-C427 PolarHBondContact O-SG 3.35Å
424L78.4Confident73.8Confident84 Ų8480.2 Ų80.244%0.4446%0.457SS..Hα-helixtrans-68-45.3176177.160.9000111.5T420 T421 N422 C427 L428T420-L424 PolarHBondContact O-N 3.31Å; T421-L424 PolarHBondContact O-N 3.36Å; N422-L424 VanDerWaalsContact C-N 3.26Å; N422-L424 PolarHBondContact O-N 2.96Å; L424-C427 WeakPolarHBondContact O-CB 3.43Å; L424-C427 PolarHBondContact O-N 3.32Å; L424-L428 HydrophobicContact CD1-CD1 3.98Å; L424-L428 HydrophobicContact CD1-CG 4.12Å; L424-L428 HydrophobicContact CD2-CD1 4.48Å; L424-L428 HydrophobicContact CG-CD1 3.86Å; L424-L428 HydrophobicContact CG-CG 4.41Å; L424-L428 WeakPolarHBondContact O-CG 3.35Å; L424-L428 PolarHBondContact O-N 2.88Å
425L80.7Confident75.9Confident1 Ų173.4 Ų73.41%0.00543%0.431CS..Hα-helixtrans-61.5-47.6-179.4-179.460.7000111.1I190 V272 V273 L276 W288 T421 N422 C427 L428 V429I190-L425 HydrophobicContact CD1-CD2 3.41Å; I190-L425 VanDerWaalsContact CD1-CD2 3.41Å; I190-L425 HydrophobicContact CD1-CG 4.12Å; I190-L425 HydrophobicContact CG1-CD2 4.12Å; V272-L425 HydrophobicContact CG1-CD1 4.38Å; V273-L425 HydrophobicContact CG2-CD1 4.15Å; L276-L425 HydrophobicContact CD1-CB 4.45Å; L276-L425 HydrophobicContact CD1-CD1 3.57Å; W288-L425 HydrophobicContact CD2-CD2 3.74Å; W288-L425 HydrophobicContact CE3-CD2 3.83Å; W288-L425 HydrophobicContact CG-CD2 4.34Å; W288-L425 HydrophobicContact CH2-CD2 3.96Å; W288-L425 HydrophobicContact CZ2-CD2 3.84Å; W288-L425 HydrophobicContact CZ3-CD2 3.96Å; T421-L425 WeakPolarHBondContact O-CB 3.11Å; T421-L425 PolarHBondContact O-N 3.3Å; N422-L425 PolarHBondContact O-N 2.84Å; N422-L425 VanDerWaalsContact O-N 3.15Å; L425-C427 PolarHBondContact O-N 3.4Å; L425-L428 PolarHBondContact O-N 2.86Å; L425-V429 HydrophobicContact CD1-CG1 3.77Å; L425-V429 HydrophobicContact CG-CG1 4.36Å; L425-V429 VanDerWaalsContact O-CG2 3.26Å; L425-V429 WeakPolarHBondContact O-CG2 3.35Å; L425-V429 PolarHBondContact O-N 3.49Å
426D81.1Confident77.9Confident71 Ų7177 Ų7738%0.3843%0.429SS..Hα-helixtrans-55.9-39.7176.7-81.7-17.3000111.9N422 H430N422-D426 WeakPolarHBondContact O-CB 3.34Å; N422-D426 PolarHBondContact O-N 3.09Å; D426-H430 PolarHBondContact O-N 3.21Å; D426-H430 VanDerWaalsContact O-N 3.15Å
427C83.4Confident80Confident81 Ų8173.6 Ų73.655%0.54741%0.405SS..Hα-helixtrans-66.1-42.5173.8-68.30000112.5D423 L424 L425 H430 I433D423-C427 PolarHBondContact O-N 2.99Å; D423-C427 PolarHBondContact O-SG 3.35Å; L424-C427 WeakPolarHBondContact O-CB 3.43Å; L424-C427 PolarHBondContact O-N 3.32Å; L425-C427 PolarHBondContact O-N 3.4Å; C427-H430 WeakPolarHBondContact O-CB 3.33Å; C427-H430 PolarHBondContact O-N 3.23Å; C427-I433 WeakPolarHBondContact O-CG1 3.49Å
428L85.7Confident81.2Confident64 Ų6468.5 Ų68.534%0.33537%0.37SS..Hα-helixtrans-73-31.5-176.5-70.3170.9000113.1V272 L276 L424 L425 H430 I434V272-L428 HydrophobicContact CG1-CB 3.79Å; V272-L428 HydrophobicContact CG1-CD1 4.31Å; L276-L428 HydrophobicContact CD1-CD1 3.73Å; L424-L428 HydrophobicContact CD1-CD1 3.98Å; L424-L428 HydrophobicContact CD1-CG 4.12Å; L424-L428 HydrophobicContact CD2-CD1 4.48Å; L424-L428 HydrophobicContact CG-CD1 3.86Å; L424-L428 HydrophobicContact CG-CG 4.41Å; L424-L428 WeakPolarHBondContact O-CG 3.35Å; L424-L428 PolarHBondContact O-N 2.88Å; L425-L428 PolarHBondContact O-N 2.86Å; L428-H430 VanDerWaalsContact C-N 3.31Å; L428-I434 WeakPolarHBondContact O-CD1 3.31Å
429V86.9Confident82Confident7 Ų765.2 Ų65.24%0.04235%0.35CS..THydrogen-bonded Turntrans-90.94.4175.3-54.40000112.7R189 T269 V272 V273 L425R189-V429 HydrophobicContact CB-CB 4.09Å; R189-V429 HydrophobicContact CB-CG2 3.7Å; R189-V429 HydrophobicContact CG-CB 4.14Å; R189-V429 HydrophobicContact CG-CG2 4.03Å; T269-V429 HydrophobicContact CG2-CB 4.24Å; T269-V429 HydrophobicContact CG2-CG1 4.16Å; V272-V429 HydrophobicContact CG1-CG1 4.27Å; V273-V429 HydrophobicContact CG2-CG1 3.77Å; L425-V429 HydrophobicContact CD1-CG1 3.77Å; L425-V429 HydrophobicContact CG-CG1 4.36Å; L425-V429 VanDerWaalsContact O-CG2 3.26Å; L425-V429 WeakPolarHBondContact O-CG2 3.35Å; L425-V429 PolarHBondContact O-N 3.49Å
430H85.7Confident82.9Confident86 Ų8661.3 Ų61.340%0.39833%0.33SS..  trans-58.1135.1176.1-171.3-86.6000110.3D426 C427 L428 D432 I433 I434D426-H430 PolarHBondContact O-N 3.21Å; D426-H430 VanDerWaalsContact O-N 3.15Å; C427-H430 WeakPolarHBondContact O-CB 3.33Å; C427-H430 PolarHBondContact O-N 3.23Å; L428-H430 VanDerWaalsContact C-N 3.31Å; H430-D432 VanDerWaalsContact C-N 3.28Å; H430-D432 IonicContact CE1-OD2 3.42Å; H430-D432 PolarHBondContact CE1-OD2 3.3Å; H430-D432 VanDerWaalsContact CE1-OD2 3.3Å; H430-D432 PolarHBondContact ND1-N 3.29Å; H430-D432 IonicContact ND1-OD2 3.8Å; H430-D432 PolarHBondContact O-N 3.12Å; H430-D432 VanDerWaalsContact O-N 3.15Å; H430-I433 HydrophobicContact CB-CB 4.45Å; H430-I433 HydrophobicContact CB-CG1 4.15Å; H430-I433 PolarHBondContact O-N 3.36Å; H430-I434 PolarHBondContact O-N 3.35Å
431P82.1Confident83.3Confident79 Ų7960.7 Ų60.751%0.51333%0.325SS..Hα-helixtrans-52.2-41.7-175.3-30.135.7000114.3I433 I434 S435P431-I433 VanDerWaalsContact C-N 3.34Å; P431-I433 PolarHBondContact O-N 3.29Å; P431-I434 PolarHBondContact O-N 3.31Å; P431-S435 WeakPolarHBondContact O-CB 3.42Å; P431-S435 PolarHBondContact O-N 3.12Å
432D82.8Confident83.9Confident116 Ų11660.1 Ų60.162%0.6232%0.32SS*.Hα-helixtrans-64.5-37178.5-63.9-19.2000112.8H430 R436H430-D432 VanDerWaalsContact C-N 3.28Å; H430-D432 IonicContact CE1-OD2 3.42Å; H430-D432 PolarHBondContact CE1-OD2 3.3Å; H430-D432 VanDerWaalsContact CE1-OD2 3.3Å; H430-D432 PolarHBondContact ND1-N 3.29Å; H430-D432 IonicContact ND1-OD2 3.8Å; H430-D432 PolarHBondContact O-N 3.12Å; H430-D432 VanDerWaalsContact O-N 3.15Å; D432-R436 WeakPolarHBondContact O-CB 3.33Å; D432-R436 PolarHBondContact O-N 2.83Å
433I87.4Confident84.4Confident80 Ų8062.3 Ų62.341%0.4133%0.329SS..Hα-helixtrans-70.6-48.6178.5-62.2-59.4000109.7C427 H430 P431 S435 R436 V437C427-I433 WeakPolarHBondContact O-CG1 3.49Å; H430-I433 HydrophobicContact CB-CB 4.45Å; H430-I433 HydrophobicContact CB-CG1 4.15Å; H430-I433 PolarHBondContact O-N 3.36Å; P431-I433 VanDerWaalsContact C-N 3.34Å; P431-I433 PolarHBondContact O-N 3.29Å; I433-S435 VanDerWaalsContact C-N 3.32Å; I433-S435 PolarHBondContact O-N 3.47Å; I433-R436 PolarHBondContact O-N 3.22Å; I433-V437 WeakPolarHBondContact O-CG2 3.33Å; I433-V437 PolarHBondContact O-N 3.23Å
434I88.6Confident84.8Confident9 Ų966.9 Ų66.95%0.04634%0.34CS..Hα-helixtrans-60-43.8177.3-65-60.5000111.1S265 V268 T269 L428 H430 P431 V437 T438S265-I434 WeakPolarHBondContact O-CG2 3.36Å; V268-I434 HydrophobicContact CG1-CD1 3.91Å; T269-I434 WeakPolarHBondContact OG1-CD1 3.47Å; T269-I434 WeakPolarHBondContact OG1-CG2 3.36Å; L428-I434 WeakPolarHBondContact O-CD1 3.31Å; H430-I434 PolarHBondContact O-N 3.35Å; P431-I434 PolarHBondContact O-N 3.31Å; I434-V437 PolarHBondContact O-N 3.38Å; I434-T438 WeakPolarHBondContact O-CB 3.45Å; I434-T438 PolarHBondContact O-N 3.11Å; I434-T438 PolarHBondContact O-OG1 2.93Å
435S86.6Confident84.6Confident55 Ų5567.4 Ų67.439%0.38534%0.34SS..Hα-helixtrans-60-47176.4-177.60000111P431 I433 V437 T438 E439P431-S435 WeakPolarHBondContact O-CB 3.42Å; P431-S435 PolarHBondContact O-N 3.12Å; I433-S435 VanDerWaalsContact C-N 3.32Å; I433-S435 PolarHBondContact O-N 3.47Å; S435-V437 PolarHBondContact O-N 3.46Å; S435-T438 WeakPolarHBondContact O-CB 3.3Å; S435-T438 PolarHBondContact O-N 3.36Å; S435-E439 WeakPolarHBondContact O-CG 3.25Å; S435-E439 PolarHBondContact O-N 3.41Å
436R87.3Confident84.1Confident127 Ų12775.6 Ų75.648%0.47937%0.371SS..Hα-helixtrans-64.2-41.5179.5-17260.3-179.1153.55.2113D432 I433 T438 E439 L440D432-R436 WeakPolarHBondContact O-CB 3.33Å; D432-R436 PolarHBondContact O-N 2.83Å; I433-R436 PolarHBondContact O-N 3.22Å; R436-T438 VanDerWaalsContact C-N 3.33Å; R436-E439 IonicContact CZ-OE2 3.95Å; R436-E439 IonicContact NH1-OE2 2.88Å; R436-E439 PolarHBondContact NH1-OE2 2.73Å; R436-E439 PolarHBondContact O-N 3.31Å; R436-L440 HydrophobicContact CG-CD1 4.42Å; R436-L440 WeakPolarHBondContact O-CG 3.36Å; R436-L440 PolarHBondContact O-N 2.99Å; R436-L440 VanDerWaalsContact O-N 3.12Å
437V87.4Confident83Confident56 Ų5675.4 Ų75.434%0.33939%0.386SS..Hα-helixtrans-64.3-41.2175.2173.80000110.6V268 I433 I434 S435 L440 L441V268-V437 HydrophobicContact CG1-CB 4.2Å; V268-V437 HydrophobicContact CG1-CG1 3.69Å; V268-V437 HydrophobicContact CG2-CG1 4.3Å; I433-V437 WeakPolarHBondContact O-CG2 3.33Å; I433-V437 PolarHBondContact O-N 3.23Å; I434-V437 PolarHBondContact O-N 3.38Å; S435-V437 PolarHBondContact O-N 3.46Å; V437-L440 PolarHBondContact O-N 2.94Å; V437-L441 HydrophobicContact CG1-CD1 3.99Å; V437-L441 HydrophobicContact CG1-CG 4.36Å; V437-L441 WeakPolarHBondContact O-CB 3.3Å; V437-L441 WeakPolarHBondContact O-CG 3.45Å; V437-L441 PolarHBondContact O-N 3.42Å
438T86.8Confident81.2Confident7 Ų773.6 Ų73.64%0.04338%0.381CS..Hα-helixtrans-58.7-49.6176.2-59.90000111.3V264 S265 I434 S435 R436 L440 L441 L442V264-T438 HydrophobicContact CB-CG2 3.95Å; V264-T438 HydrophobicContact CG1-CG2 3.75Å; S265-T438 VanDerWaalsContact CA-OG1 3.31Å; S265-T438 WeakPolarHBondContact CA-OG1 3.34Å; S265-T438 PolarHBondContact OG-OG1 3.25Å; I434-T438 WeakPolarHBondContact O-CB 3.45Å; I434-T438 PolarHBondContact O-N 3.11Å; I434-T438 PolarHBondContact O-OG1 2.93Å; S435-T438 WeakPolarHBondContact O-CB 3.3Å; S435-T438 PolarHBondContact O-N 3.36Å; R436-T438 VanDerWaalsContact C-N 3.33Å; T438-L440 PolarHBondContact O-N 3.29Å; T438-L441 PolarHBondContact O-N 3.02Å; T438-L442 HydrophobicContact CG2-CD1 3.96Å; T438-L442 HydrophobicContact CG2-CG 4.44Å; T438-L442 WeakPolarHBondContact O-CB 3.48Å; T438-L442 VanDerWaalsContact O-CG 3.3Å; T438-L442 WeakPolarHBondContact O-CG 3.37Å; T438-L442 PolarHBondContact O-N 3.32Å
439E87.6Confident79.3Confident87 Ų8779.8 Ų79.841%0.40741%0.407SS..Hα-helixtrans-55.5-50.7176.4-72.4176.517000111.6S435 R436 L441 L442 E443S435-E439 WeakPolarHBondContact O-CG 3.25Å; S435-E439 PolarHBondContact O-N 3.41Å; R436-E439 IonicContact CZ-OE2 3.95Å; R436-E439 IonicContact NH1-OE2 2.88Å; R436-E439 PolarHBondContact NH1-OE2 2.73Å; R436-E439 PolarHBondContact O-N 3.31Å; E439-L441 VanDerWaalsContact C-N 3.35Å; E439-L441 PolarHBondContact O-N 2.92Å; E439-L442 PolarHBondContact O-N 3.18Å; E439-E443 WeakPolarHBondContact O-CB 3.47Å; E439-E443 WeakPolarHBondContact O-CG 3.37Å; E439-E443 PolarHBondContact O-N 2.99Å
440L86.9Confident77.2Confident58 Ų5888 Ų8830%0.30445%0.45SS..Hα-helixtrans-61.9-40.3-179.6-70.8171000112.5R436 V437 T438 R444 L450R436-L440 HydrophobicContact CG-CD1 4.42Å; R436-L440 WeakPolarHBondContact O-CG 3.36Å; R436-L440 PolarHBondContact O-N 2.99Å; R436-L440 VanDerWaalsContact O-N 3.12Å; V437-L440 PolarHBondContact O-N 2.94Å; T438-L440 PolarHBondContact O-N 3.29Å; L440-R444 WeakPolarHBondContact O-CB 3.28Å; L440-R444 PolarHBondContact O-N 3.38Å; L440-L450 HydrophobicContact CD2-CD2 4.47Å
441L83.8Confident76.8Confident45 Ų4588.1 Ų88.124%0.23645%0.453CS..Hα-helixtrans-63.5-43.6176.2-78172.8000111.7V268 L306 V437 T438 E439 H445V268-L441 HydrophobicContact CG2-CD1 3.53Å; L306-L441 HydrophobicContact CD1-CD1 4.37Å; L306-L441 HydrophobicContact CD2-CD1 4.48Å; V437-L441 HydrophobicContact CG1-CD1 3.99Å; V437-L441 HydrophobicContact CG1-CG 4.36Å; V437-L441 WeakPolarHBondContact O-CB 3.3Å; V437-L441 WeakPolarHBondContact O-CG 3.45Å; V437-L441 PolarHBondContact O-N 3.42Å; T438-L441 PolarHBondContact O-N 3.02Å; E439-L441 VanDerWaalsContact C-N 3.35Å; E439-L441 PolarHBondContact O-N 2.92Å; L441-H445 PolarHBondContact O-N 3.19Å; L441-H445 PolarHBondContact O-ND1 3.23Å
442L84.7Confident76.5Confident22 Ų2288.5 Ų88.512%0.11545%0.449CS..Hα-helixtrans-67.7-41.4177.9-69.6177000111.9V264 V310 Q313 T438 E439 H445 R446V264-L442 HydrophobicContact CG2-CD2 4.31Å; V310-L442 HydrophobicContact CG1-CD2 4.46Å; Q313-L442 HydrophobicContact CB-CD2 4.18Å; Q313-L442 HydrophobicContact CG-CD1 4.23Å; Q313-L442 HydrophobicContact CG-CD2 3.72Å; T438-L442 HydrophobicContact CG2-CD1 3.96Å; T438-L442 HydrophobicContact CG2-CG 4.44Å; T438-L442 WeakPolarHBondContact O-CB 3.48Å; T438-L442 VanDerWaalsContact O-CG 3.3Å; T438-L442 WeakPolarHBondContact O-CG 3.37Å; T438-L442 PolarHBondContact O-N 3.32Å; E439-L442 PolarHBondContact O-N 3.18Å; L442-H445 PolarHBondContact O-N 3Å; L442-R446 WeakPolarHBondContact O-CB 3.5Å; L442-R446 VanDerWaalsContact O-CG 3.28Å; L442-R446 WeakPolarHBondContact O-CG 3.33Å; L442-R446 PolarHBondContact O-N 3.3Å
443E85.8Confident76.1Confident94 Ų9487 Ų8744%0.43944%0.44SS..Hα-helixtrans-59.9-48.4175.2-76.6175.7177.600111.6E439 H445 R446 G448E439-E443 WeakPolarHBondContact O-CB 3.47Å; E439-E443 WeakPolarHBondContact O-CG 3.37Å; E439-E443 PolarHBondContact O-N 2.99Å; E443-H445 VanDerWaalsContact C-N 3.27Å; E443-H445 PolarHBondContact O-N 3.12Å; E443-R446 PolarHBondContact O-N 3.37Å; E443-R446 VanDerWaalsContact O-N 3.12Å; E443-G448 PolarHBondContact O-N 3.04Å
444R81Confident75.5Confident175 Ų17587.4 Ų87.466%0.6644%0.442SS*.Hα-helixtrans-60.2-36.5179-171.9173.4-178.1137-0.2112.4L440L440-R444 WeakPolarHBondContact O-CB 3.28Å; L440-R444 PolarHBondContact O-N 3.38Å
445H73.6Confident74.6Confident96 Ų9692.3 Ų92.344%0.44447%0.466SS..Hα-helixtrans-86.1-9.7179.5-74.682.9000114.3V310 L441 L442 E443 G447V310-H445 HydrophobicContact CG1-CB 4.08Å; L441-H445 PolarHBondContact O-N 3.19Å; L441-H445 PolarHBondContact O-ND1 3.23Å; L442-H445 PolarHBondContact O-N 3Å; E443-H445 VanDerWaalsContact C-N 3.27Å; E443-H445 PolarHBondContact O-N 3.12Å; H445-G447 VanDerWaalsContact C-N 3.3Å
446R71.4Confident73.8Confident173 Ų17394.8 Ų94.865%0.65347%0.472SS*.THydrogen-bonded Turntrans-84.70.8170.7-76.8176-170.9-173.84.2113.6L442 E443L442-R446 WeakPolarHBondContact O-CB 3.5Å; L442-R446 VanDerWaalsContact O-CG 3.28Å; L442-R446 WeakPolarHBondContact O-CG 3.33Å; L442-R446 PolarHBondContact O-N 3.3Å; E443-R446 PolarHBondContact O-N 3.37Å; E443-R446 VanDerWaalsContact O-N 3.12Å
447G56.7Low72.9Confident66 Ų6692.5 Ų92.568%0.6847%0.471SS*.THydrogen-bonded Turntrans87.413.3-179.800000114.2H445 H449H445-G447 VanDerWaalsContact C-N 3.3Å; G447-H449 PolarHBondContact O-N 3.31Å
448G46.5Very low71.8Confident43 Ų4395.3 Ų95.344%0.44348%0.482SS..  trans-76.4111.4167.800000109.9E443 L450E443-G448 PolarHBondContact O-N 3.04Å; G448-L450 PolarHBondContact O-N 3.39Å
449H45Very low70.5Confident194 Ų194102.7 Ų102.790%0.89852%0.518SS*.  trans-61.2121.3162-78.4-75.8000108.4G447G447-H449 PolarHBondContact O-N 3.31Å
450L43.4Very low69Low179 Ų179104.1 Ų104.194%0.93753%0.528SS*.  trans-650158.8-88.1160000110.1L440 G448L440-L450 HydrophobicContact CD2-CD2 4.47Å; G448-L450 PolarHBondContact O-N 3.39Å

Retrieved 450 of 450 residues in 193.5 ms (Link to these results)

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