A0A087YLD9_POEFO Loading...

F-box protein 33

AlphaFold DB , UniProt , Accession A0A087YLD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 495 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
1M36.6Very low55.3Low250 Ų250105.3 Ų105.3100%1.23270%0.699SS**  0123.20-82-171.7-95.800107.7
2A39.9Very low57.8Low96 Ų96100.9 Ų100.979%0.79366%0.664SS**  trans-74.5142.1-161.400000113.5C4A2-C4 PolarHBondContact O-N 3.1Å; A2-C4 VanDerWaalsContact O-N 3.1Å
3L44.4Very low60.4Low179 Ų17997.8 Ų97.894%0.93764%0.643SS**  trans-63.595.7165.9-74147.6000109.6G5L3-G5 PolarHBondContact O-N 3.07Å
4C41.3Very low62.5Low133 Ų13392.9 Ų92.990%0.89961%0.611SS**  trans-79.368.6161.2-76.60000109.3A2A2-C4 PolarHBondContact O-N 3.1Å; A2-C4 VanDerWaalsContact O-N 3.1Å
5G47.2Very low64.5Low56 Ų5695.3 Ų95.358%0.57761%0.611SS**PPolyproline II helixtrans-80.6121.8166.600000108.9L3L3-G5 PolarHBondContact O-N 3.07Å
6G55.2Low66.2Low56 Ų5694.7 Ų94.758%0.57760%0.601SS**PPolyproline II helixtrans-52.5147.2177.700000111.9A11G6-A11 WeakPolarHBondContact O-CB 3.06Å
7V59.7Low67.8Low145 Ų14589.1 Ų89.188%0.87957%0.565SS**PPolyproline II helixtrans-101.9138.9176.3-175.20000108.5
8G67.4Low69.2Low51 Ų5185.1 Ų85.153%0.52654%0.539SS..SBendtrans98.2-168.9175.600000114.9M10 A11G8-M10 PolarHBondContact O-N 2.94Å; G8-A11 WeakPolarHBondContact O-CB 3.49Å; G8-A11 PolarHBondContact O-N 3.46Å
9A66.2Low70.6Confident51 Ų5186.1 Ų86.142%0.42154%0.536SS..G310 helixtrans-54.6-20.2-174.100000114.8A11 W39A9-A11 VanDerWaalsContact C-N 3.29Å; A9-A11 PolarHBondContact O-N 2.93Å; A9-W39 HydrophobicContact CB-CZ2 3.86Å; A9-W39 PolarHBondContact O-NE1 2.98Å
10M70.1Confident71.7Confident96 Ų9684.9 Ų84.947%0.47353%0.525SS..G310 helixtrans-72-20.6178.4-58.2-67.4-71.600113.6G8 C36 R38G8-M10 PolarHBondContact O-N 2.94Å; M10-C36 HydrophobicContact CE-CB 3.24Å; M10-C36 HydrophobicContact SD-CB 3.41Å; M10-C36 WeakPolarHBondContact SD-CB 3.41Å; M10-C36 PolarHBondContact SD-SG 3.37Å; M10-R38 PolarHBondContact O-NH1 3.44Å; M10-R38 VanDerWaalsContact O-NH1 3.1Å
11A80.3Confident72.8Confident45 Ų4580.8 Ų80.837%0.37250%0.5SS..G310 helixtrans-94.1-10.5-176.200000113.9G6 G8 A9 R38G6-A11 WeakPolarHBondContact O-CB 3.06Å; G8-A11 WeakPolarHBondContact O-CB 3.49Å; G8-A11 PolarHBondContact O-N 3.46Å; A9-A11 VanDerWaalsContact C-N 3.29Å; A9-A11 PolarHBondContact O-N 2.93Å; A11-R38 PolarHBondContact O-NH1 3.21Å
12L85.6Confident75.5Confident53 Ų5372 Ų7228%0.27746%0.464SS..SBendtrans-59.3135.1-178.7-67.5173.8000111.4L16 I17 I20 R38 W39L12-L16 HydrophobicContact CD2-CD1 4.25Å; L12-I17 HydrophobicContact CB-CD1 4.27Å; L12-I17 HydrophobicContact CB-CG1 3.85Å; L12-I17 WeakPolarHBondContact O-CD1 3.23Å; L12-I20 HydrophobicContact CD1-CD1 3.84Å; L12-R38 PolarHBondContact O-NE 3.1Å; L12-R38 PolarHBondContact O-NH1 2.88Å; L12-R38 PolarHBondContact O-NH2 3.34Å; L12-R38 VanDerWaalsContact O-NH2 3.07Å; L12-W39 HydrophobicContact CD1-CZ2 4.14Å
13P90.7Very high78.1Confident60 Ų6074.7 Ų74.739%0.3946%0.458SS..  trans-53.2149.1167.8-25.333.9000112.2E15 L16 I17P13-E15 WeakPolarHBondContact CB-OE2 3.34Å; P13-E15 PolarHBondContact O-N 3.33Å; P13-L16 HydrophobicContact CG-CD1 4.4Å; P13-L16 PolarHBondContact O-N 3.07Å; P13-I17 PolarHBondContact O-N 3.15Å; P13-I17 VanDerWaalsContact O-N 3.15Å
14S90.8Very high80.4Confident29 Ų2968.8 Ų68.820%0.20343%0.426CS..Hα-helixtrans-59.4-35.7-176.7-57.80000111.6L16 I17 V18S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 3.39Å; S14-I17 PolarHBondContact O-N 3.48Å; S14-V18 WeakPolarHBondContact O-CB 3.34Å; S14-V18 VanDerWaalsContact O-CG2 3.24Å; S14-V18 WeakPolarHBondContact O-CG2 3.45Å; S14-V18 PolarHBondContact O-N 3.18Å
15E92.3Very high82.7Confident129 Ų12965.2 Ų65.260%0.60340%0.403SS*.Hα-helixtrans-61-39.5177.4-58.874.1-162.300111.8P13 H19P13-E15 WeakPolarHBondContact CB-OE2 3.34Å; P13-E15 PolarHBondContact O-N 3.33Å; E15-H19 WeakPolarHBondContact O-CB 3.45Å; E15-H19 PolarHBondContact O-N 3.35Å
16L92.4Very high84.6Confident86 Ų8666.7 Ų66.745%0.4540%0.398SS..Hα-helixtrans-72.8-38.1177-65.7-171.4000111.5L12 P13 S14 H19 I20L12-L16 HydrophobicContact CD2-CD1 4.25Å; P13-L16 HydrophobicContact CG-CD1 4.4Å; P13-L16 PolarHBondContact O-N 3.07Å; S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 3.39Å; L16-H19 PolarHBondContact O-N 3.32Å; L16-I20 WeakPolarHBondContact O-CD1 3.47Å; L16-I20 VanDerWaalsContact O-CG1 3.22Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 2.85Å
17I92.6Very high86.3Confident0 Ų072.1 Ų72.10%040%0.401CS..Hα-helixtrans-63.5-44.7175.8-60.7166.7000110L12 P13 S14 H19 I20 F21 R38 W39 C42L12-I17 HydrophobicContact CB-CD1 4.27Å; L12-I17 HydrophobicContact CB-CG1 3.85Å; L12-I17 WeakPolarHBondContact O-CD1 3.23Å; P13-I17 PolarHBondContact O-N 3.15Å; P13-I17 VanDerWaalsContact O-N 3.15Å; S14-I17 PolarHBondContact O-N 3.48Å; I17-H19 VanDerWaalsContact C-N 3.34Å; I17-H19 PolarHBondContact O-N 2.9Å; I17-I20 WeakPolarHBondContact O-CB 3.36Å; I17-I20 PolarHBondContact O-N 3.48Å; I17-F21 HydrophobicContact CG2-CD1 4.41Å; I17-F21 HydrophobicContact CG2-CE1 4.09Å; I17-F21 HydrophobicContact CG2-CE2 4.21Å; I17-F21 HydrophobicContact CG2-CZ 4Å; I17-F21 WeakPolarHBondContact O-CG 3.49Å; I17-F21 PolarHBondContact O-N 2.92Å; I17-R38 HydrophobicContact CD1-CG 4.15Å; I17-W39 HydrophobicContact CD1-CG 4.36Å; I17-W39 HydrophobicContact CG1-CZ2 4.49Å; I17-W39 HydrophobicContact CG2-CD2 3.93Å; I17-W39 HydrophobicContact CG2-CE3 4.35Å; I17-W39 HydrophobicContact CG2-CG 4.02Å; I17-C42 HydrophobicContact CB-CB 4.11Å; I17-C42 HydrophobicContact CG2-CB 3.58Å
18V93.7Very high87.9Confident16 Ų1667.8 Ų67.810%0.09737%0.373CS..Hα-helixtrans-62.2-42.1175.2172.90000110.8S14 I20 F21 S22 C42 Y45 A47 L48S14-V18 WeakPolarHBondContact O-CB 3.34Å; S14-V18 VanDerWaalsContact O-CG2 3.24Å; S14-V18 WeakPolarHBondContact O-CG2 3.45Å; S14-V18 PolarHBondContact O-N 3.18Å; V18-I20 PolarHBondContact O-N 3.25Å; V18-F21 PolarHBondContact O-N 3.49Å; V18-S22 PolarHBondContact O-N 3.4Å; V18-C42 HydrophobicContact CG2-CB 4.08Å; V18-Y45 HydrophobicContact CG1-CG 4.48Å; V18-Y45 HydrophobicContact CG2-CD1 3.83Å; V18-Y45 HydrophobicContact CG2-CD2 3.67Å; V18-Y45 HydrophobicContact CG2-CE1 4.32Å; V18-Y45 HydrophobicContact CG2-CE2 4.17Å; V18-Y45 HydrophobicContact CG2-CG 3.45Å; V18-Y45 VanDerWaalsContact CG2-CG 3.45Å; V18-A47 HydrophobicContact CG1-CB 4.48Å; V18-L48 HydrophobicContact CG1-CD1 4.3Å; V18-L48 HydrophobicContact CG1-CD2 4.07Å; V18-L48 HydrophobicContact CG1-CG 4.02Å; V18-L48 WeakPolarHBondContact O-CD2 3.34Å
19H94.2Very high89.1Confident104 Ų10466.3 Ų66.348%0.48135%0.352SS..Hα-helixtrans-62.8-42.1175.3-171.550.5000112E15 L16 I17 F21 S22 F23E15-H19 WeakPolarHBondContact O-CB 3.45Å; E15-H19 PolarHBondContact O-N 3.35Å; L16-H19 PolarHBondContact O-N 3.32Å; I17-H19 VanDerWaalsContact C-N 3.34Å; I17-H19 PolarHBondContact O-N 2.9Å; H19-F21 PolarHBondContact O-N 3.18Å; H19-S22 WeakPolarHBondContact O-CB 3.49Å; H19-S22 PolarHBondContact O-N 2.98Å; H19-S22 VanDerWaalsContact O-N 3.16Å; H19-S22 PolarHBondContact O-OG 3.05Å; H19-F23 AromaticContact CD2-CE2 3.87Å; H19-F23 AromaticContact CE1-CE2 3.46Å; H19-F23 VanDerWaalsContact CE1-CE2 3.46Å; H19-F23 WeakPolarHBondContact CE1-CE2 3.4Å; H19-F23 AromaticContact CE1-CZ 3.53Å; H19-F23 AromaticContact ND1-CE2 3.88Å; H19-F23 AromaticContact NE2-CE2 3.45Å; H19-F23 WeakPolarHBondContact NE2-CE2 3.22Å; H19-F23 AromaticContact NE2-CZ 3.7Å; H19-F23 WeakPolarHBondContact O-CD2 3.19Å; H19-F23 WeakPolarHBondContact O-CE2 3.35Å
20I93.6Very high90.3Very high62 Ų6268.4 Ų68.432%0.31836%0.356SS..Hα-helixtrans-59.4-47.4173.2-69161.9000110.4L12 L16 I17 V18 S22 F23L12-I20 HydrophobicContact CD1-CD1 3.84Å; L16-I20 WeakPolarHBondContact O-CD1 3.47Å; L16-I20 VanDerWaalsContact O-CG1 3.22Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 2.85Å; I17-I20 WeakPolarHBondContact O-CB 3.36Å; I17-I20 PolarHBondContact O-N 3.48Å; V18-I20 PolarHBondContact O-N 3.25Å; I20-S22 PolarHBondContact O-N 3.3Å; I20-F23 PolarHBondContact O-N 3.23Å
21F94.6Very high91.4Very high0 Ų070 Ų700%036%0.356CS..Hα-helixtrans-59.9-28.7177.6-76.94000113I17 V18 H19 F23 L24 K29 A32 W39 C42 L43 L48I17-F21 HydrophobicContact CG2-CD1 4.41Å; I17-F21 HydrophobicContact CG2-CE1 4.09Å; I17-F21 HydrophobicContact CG2-CE2 4.21Å; I17-F21 HydrophobicContact CG2-CZ 4Å; I17-F21 WeakPolarHBondContact O-CG 3.49Å; I17-F21 PolarHBondContact O-N 2.92Å; V18-F21 PolarHBondContact O-N 3.49Å; H19-F21 PolarHBondContact O-N 3.18Å; F21-F23 PolarHBondContact O-N 3.22Å; F21-L24 HydrophobicContact CD1-CD1 3.85Å; F21-L24 HydrophobicContact CE1-CD1 4.35Å; F21-L24 PolarHBondContact O-N 2.86Å; F21-L24 VanDerWaalsContact O-N 3.09Å; F21-K29 HydrophobicContact CB-CG 4.25Å; F21-K29 HydrophobicContact CG-CG 4.5Å; F21-K29 WeakPolarHBondContact O-CE 3.46Å; F21-A32 HydrophobicContact CD1-CB 4.39Å; F21-A32 HydrophobicContact CE1-CB 3.55Å; F21-A32 HydrophobicContact CZ-CB 4.11Å; F21-W39 HydrophobicContact CE1-CD2 4.35Å; F21-W39 AromaticContact CE1-CE3 3.44Å; F21-W39 HydrophobicContact CE1-CE3 3.44Å; F21-W39 VanDerWaalsContact CE1-CE3 3.44Å; F21-W39 AromaticContact CE1-CZ3 3.73Å; F21-W39 HydrophobicContact CE1-CZ3 3.73Å; F21-W39 WeakPolarHBondContact CE2-O 3.24Å; F21-W39 HydrophobicContact CZ-CB 4.24Å; F21-W39 HydrophobicContact CZ-CD2 4.41Å; F21-W39 AromaticContact CZ-CE3 3.78Å; F21-W39 HydrophobicContact CZ-CE3 3.78Å; F21-C42 HydrophobicContact CE2-CB 4.25Å; F21-L43 HydrophobicContact CD2-CD1 4.48Å; F21-L43 HydrophobicContact CE2-CB 4.25Å; F21-L43 HydrophobicContact CE2-CD1 4.25Å; F21-L48 HydrophobicContact CB-CD1 3.73Å; F21-L48 HydrophobicContact CB-CD2 3.57Å; F21-L48 HydrophobicContact CB-CG 4.31Å; F21-L48 HydrophobicContact CD2-CD1 3.62Å; F21-L48 HydrophobicContact CG-CD1 4.19Å
22S93Very high92Very high66 Ų6668.7 Ų68.746%0.46235%0.345SS..Hα-helixtrans-65.4-19.1176.877.80000113.9V18 H19 I20V18-S22 PolarHBondContact O-N 3.4Å; H19-S22 WeakPolarHBondContact O-CB 3.49Å; H19-S22 PolarHBondContact O-N 2.98Å; H19-S22 VanDerWaalsContact O-N 3.16Å; H19-S22 PolarHBondContact O-OG 3.05Å; I20-S22 PolarHBondContact O-N 3.3Å
23F93.9Very high92.3Very high152 Ų15266.7 Ų66.767%0.66734%0.336SS*.THydrogen-bonded Turntrans-93.8-5.1174.3-60.2-73.9000113.9H19 I20 F21H19-F23 AromaticContact CD2-CE2 3.87Å; H19-F23 AromaticContact CE1-CE2 3.46Å; H19-F23 VanDerWaalsContact CE1-CE2 3.46Å; H19-F23 WeakPolarHBondContact CE1-CE2 3.4Å; H19-F23 AromaticContact CE1-CZ 3.53Å; H19-F23 AromaticContact ND1-CE2 3.88Å; H19-F23 AromaticContact NE2-CE2 3.45Å; H19-F23 WeakPolarHBondContact NE2-CE2 3.22Å; H19-F23 AromaticContact NE2-CZ 3.7Å; H19-F23 WeakPolarHBondContact O-CD2 3.19Å; H19-F23 WeakPolarHBondContact O-CE2 3.35Å; I20-F23 PolarHBondContact O-N 3.23Å; F21-F23 PolarHBondContact O-N 3.22Å
24L93.1Very high92.3Very high54 Ų5466.9 Ų66.928%0.28334%0.343SS..SBendtrans-96.5147.3-176.2-62.5-174.7000111.3F21 D28 K29 A32F21-L24 HydrophobicContact CD1-CD1 3.85Å; F21-L24 HydrophobicContact CE1-CD1 4.35Å; F21-L24 PolarHBondContact O-N 2.86Å; F21-L24 VanDerWaalsContact O-N 3.09Å; L24-D28 HydrophobicContact CB-CB 3.88Å; L24-D28 HydrophobicContact CD1-CB 4.38Å; L24-D28 HydrophobicContact CD2-CB 4.3Å; L24-D28 HydrophobicContact CG-CB 4.41Å; L24-K29 HydrophobicContact CB-CG 3.88Å; L24-K29 VanDerWaalsContact O-CE 3.24Å; L24-K29 WeakPolarHBondContact O-CE 3.34Å; L24-A32 HydrophobicContact CD1-CB 3.95Å
25S90.9Very high92.2Very high59 Ų5970 Ų7041%0.41336%0.36SS..  trans-63.5157.8165.6740000110.5R27 D28 K29S25-R27 PolarHBondContact O-N 3.24Å; S25-D28 CarbonylContact O-C 3.49Å; S25-D28 WeakPolarHBondContact O-CA 3.4Å; S25-D28 WeakPolarHBondContact O-CB 3.4Å; S25-D28 PolarHBondContact O-N 3.22Å; S25-D28 WeakPolarHBondContact OG-CB 3.46Å; S25-D28 PolarHBondContact OG-N 3.19Å; S25-D28 PolarHBondContact OG-OD2 3.12Å; S25-K29 WeakPolarHBondContact O-CG 3.41Å; S25-K29 PolarHBondContact O-N 3.42Å
26D86.9Confident92.1Very high86 Ų8664.5 Ų64.546%0.4634%0.336SS..Hα-helixtrans-57.6-37.2-179.7-65.8-20.8000112.9D28 K29 L30 W49D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 3.36Å; D26-K29 PolarHBondContact O-N 3.22Å; D26-K29 IonicContact OD1-NZ 3.15Å; D26-K29 PolarHBondContact OD1-NZ 3.31Å; D26-L30 WeakPolarHBondContact O-CG 3.5Å; D26-L30 PolarHBondContact O-N 2.88Å; D26-L30 VanDerWaalsContact O-N 3.08Å; D26-W49 HydrophobicContact CB-CH2 3.91Å; D26-W49 HydrophobicContact CB-CZ3 3.97Å
27R89.8Confident91.9Very high171 Ų17164.3 Ų64.365%0.64534%0.341SS*.Hα-helixtrans-62.6-39.2173-178.3-179.1159.6-169.6-6.3111.8S25 R31S25-R27 PolarHBondContact O-N 3.24Å; R27-R31 WeakPolarHBondContact O-CG 3.19Å; R27-R31 PolarHBondContact O-N 3.06Å; R27-R31 VanDerWaalsContact O-N 3.13Å
28D93.9Very high91.8Very high54 Ų5468.3 Ų68.329%0.28936%0.356SS..Hα-helixtrans-74.5-36.5178-66.8-34.9000112.5L24 S25 D26 L30 R31 A32L24-D28 HydrophobicContact CB-CB 3.88Å; L24-D28 HydrophobicContact CD1-CB 4.38Å; L24-D28 HydrophobicContact CD2-CB 4.3Å; L24-D28 HydrophobicContact CG-CB 4.41Å; S25-D28 CarbonylContact O-C 3.49Å; S25-D28 WeakPolarHBondContact O-CA 3.4Å; S25-D28 WeakPolarHBondContact O-CB 3.4Å; S25-D28 PolarHBondContact O-N 3.22Å; S25-D28 WeakPolarHBondContact OG-CB 3.46Å; S25-D28 PolarHBondContact OG-N 3.19Å; S25-D28 PolarHBondContact OG-OD2 3.12Å; D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 3.36Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.18Å; D28-R31 PolarHBondContact O-N 3.24Å; D28-R31 IonicContact OD1-CZ 2.92Å; D28-R31 IonicContact OD1-NE 2.94Å; D28-R31 PolarHBondContact OD1-NE 3.29Å; D28-R31 IonicContact OD1-NH2 3.67Å; D28-R31 PolarHBondContact OD1-NH2 3.24Å; D28-A32 WeakPolarHBondContact O-CB 3.43Å; D28-A32 PolarHBondContact O-N 3.37Å
29K93.5Very high91.7Very high19 Ų1968.8 Ų68.88%0.08336%0.357CS..Hα-helixtrans-56.6-47.3171.1-65.3174.8-165.81580110.5F21 L24 S25 D26 A32 S33 L43 L48 W49F21-K29 HydrophobicContact CB-CG 4.25Å; F21-K29 HydrophobicContact CG-CG 4.5Å; F21-K29 WeakPolarHBondContact O-CE 3.46Å; L24-K29 HydrophobicContact CB-CG 3.88Å; L24-K29 VanDerWaalsContact O-CE 3.24Å; L24-K29 WeakPolarHBondContact O-CE 3.34Å; S25-K29 WeakPolarHBondContact O-CG 3.41Å; S25-K29 PolarHBondContact O-N 3.42Å; D26-K29 PolarHBondContact O-N 3.22Å; D26-K29 IonicContact OD1-NZ 3.15Å; D26-K29 PolarHBondContact OD1-NZ 3.31Å; K29-A32 PolarHBondContact O-N 3.39Å; K29-S33 VanDerWaalsContact O-CB 3.29Å; K29-S33 WeakPolarHBondContact O-CB 3.13Å; K29-S33 PolarHBondContact O-N 2.66Å; K29-L43 HydrophobicContact CB-CD1 3.78Å; K29-L48 PolarHBondContact NZ-O 3.08Å; K29-L48 VanDerWaalsContact NZ-O 3.1Å; K29-W49 HydrophobicContact CB-CZ2 4.48Å; K29-W49 HydrophobicContact CD-CH2 4.26Å; K29-W49 HydrophobicContact CD-CZ2 4.04Å
30L91.1Very high91.6Very high96 Ų9670.1 Ų70.150%0.50336%0.357SS..Hα-helixtrans-61.9-45.7177.9-70.7172.7000112D26 D28 S33 A34 L43D26-L30 WeakPolarHBondContact O-CG 3.5Å; D26-L30 PolarHBondContact O-N 2.88Å; D26-L30 VanDerWaalsContact O-N 3.08Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.18Å; L30-S33 WeakPolarHBondContact O-CB 3.26Å; L30-S33 PolarHBondContact O-N 3.16Å; L30-S33 PolarHBondContact O-OG 3.48Å; L30-A34 PolarHBondContact O-N 3.09Å; L30-L43 HydrophobicContact CD2-CD2 3.85Å
31R93.2Very high91.4Very high130 Ų13073.5 Ų73.549%0.49137%0.372SS..Hα-helixtrans-62.3-45.1176.3-74.1-172.3-80.3-175-6.8112R27 D28 S33 A34R27-R31 WeakPolarHBondContact O-CG 3.19Å; R27-R31 PolarHBondContact O-N 3.06Å; R27-R31 VanDerWaalsContact O-N 3.13Å; D28-R31 PolarHBondContact O-N 3.24Å; D28-R31 IonicContact OD1-CZ 2.92Å; D28-R31 IonicContact OD1-NE 2.94Å; D28-R31 PolarHBondContact OD1-NE 3.29Å; D28-R31 IonicContact OD1-NH2 3.67Å; D28-R31 PolarHBondContact OD1-NH2 3.24Å; R31-S33 VanDerWaalsContact C-N 3.29Å; R31-S33 PolarHBondContact O-N 3.24Å; R31-A34 WeakPolarHBondContact O-CB 3.41Å; R31-A34 PolarHBondContact O-N 2.6Å; R31-A34 VanDerWaalsContact O-N 3.12Å
32A91.7Very high91.3Very high17 Ų1773.6 Ų73.614%0.1437%0.372CS..Hα-helixtrans-65.4-34.1178.400000112F21 L24 D28 K29 A34 V35 W39F21-A32 HydrophobicContact CD1-CB 4.39Å; F21-A32 HydrophobicContact CE1-CB 3.55Å; F21-A32 HydrophobicContact CZ-CB 4.11Å; L24-A32 HydrophobicContact CD1-CB 3.95Å; D28-A32 WeakPolarHBondContact O-CB 3.43Å; D28-A32 PolarHBondContact O-N 3.37Å; K29-A32 PolarHBondContact O-N 3.39Å; A32-A34 PolarHBondContact O-N 2.97Å; A32-V35 WeakPolarHBondContact O-CB 3.47Å; A32-V35 VanDerWaalsContact O-CG2 3.23Å; A32-V35 WeakPolarHBondContact O-CG2 3.49Å; A32-V35 PolarHBondContact O-N 2.72Å; A32-W39 HydrophobicContact CB-CE3 3.98Å; A32-W39 HydrophobicContact CB-CZ3 3.97Å
33S92.1Very high91.2Very high10 Ų1070.9 Ų70.97%0.0735%0.353CS..Hα-helixtrans-65.6-17.7174.985.50000113.5K29 L30 R31 V35 R40K29-S33 VanDerWaalsContact O-CB 3.29Å; K29-S33 WeakPolarHBondContact O-CB 3.13Å; K29-S33 PolarHBondContact O-N 2.66Å; L30-S33 WeakPolarHBondContact O-CB 3.26Å; L30-S33 PolarHBondContact O-N 3.16Å; L30-S33 PolarHBondContact O-OG 3.48Å; R31-S33 VanDerWaalsContact C-N 3.29Å; R31-S33 PolarHBondContact O-N 3.24Å; S33-V35 VanDerWaalsContact C-N 3.31Å; S33-R40 WeakPolarHBondContact O-CB 3.48Å
34A91.6Very high91Very high65 Ų6566 Ų6654%0.53733%0.332SS..THydrogen-bonded Turntrans-80.2-11.9177.100000113.3L30 R31 A32 C36L30-A34 PolarHBondContact O-N 3.09Å; R31-A34 WeakPolarHBondContact O-CB 3.41Å; R31-A34 PolarHBondContact O-N 2.6Å; R31-A34 VanDerWaalsContact O-N 3.12Å; A32-A34 PolarHBondContact O-N 2.97Å; A34-C36 PolarHBondContact O-N 2.59Å
35V89.3Confident90.8Very high93 Ų9367.9 Ų67.956%0.56434%0.336SS*.SBendtrans-62.4-43.4-178.31750000111.5A32 S33A32-V35 WeakPolarHBondContact O-CB 3.47Å; A32-V35 VanDerWaalsContact O-CG2 3.23Å; A32-V35 WeakPolarHBondContact O-CG2 3.49Å; A32-V35 PolarHBondContact O-N 2.72Å; S33-V35 VanDerWaalsContact C-N 3.31Å
36C88.8Confident90.6Very high14 Ų1468.1 Ų68.110%0.09534%0.336CS..  trans-162.9169.617670.40000113.4M10 A34 R38 W39 R40M10-C36 HydrophobicContact CE-CB 3.24Å; M10-C36 HydrophobicContact SD-CB 3.41Å; M10-C36 WeakPolarHBondContact SD-CB 3.41Å; M10-C36 PolarHBondContact SD-SG 3.37Å; A34-C36 PolarHBondContact O-N 2.59Å; C36-R38 VanDerWaalsContact C-N 3.31Å; C36-R38 PolarHBondContact O-N 3.29Å; C36-W39 PolarHBondContact O-N 3.46Å; C36-W39 PolarHBondContact SG-N 3.23Å; C36-W39 VanDerWaalsContact SG-N 3.39Å; C36-R40 PolarHBondContact O-N 3.27Å
37S88.9Confident90.6Very high82 Ų8267.6 Ų67.657%0.57334%0.343SS*.Hα-helixtrans-56.6-41177.153.40000113.2R40 E41S37-R40 WeakPolarHBondContact O-CB 3.41Å; S37-R40 PolarHBondContact O-N 2.83Å; S37-E41 WeakPolarHBondContact O-CG 3.46Å; S37-E41 PolarHBondContact O-N 3.4Å
38R89.1Confident90.6Very high84 Ų8460 Ų6032%0.31732%0.315SS..Hα-helixtrans-63.7-44.2-179.9-171.1176.8-171178.73.3112.5M10 A11 L12 I17 C36 R40 E41 C42M10-R38 PolarHBondContact O-NH1 3.44Å; M10-R38 VanDerWaalsContact O-NH1 3.1Å; A11-R38 PolarHBondContact O-NH1 3.21Å; L12-R38 PolarHBondContact O-NE 3.1Å; L12-R38 PolarHBondContact O-NH1 2.88Å; L12-R38 PolarHBondContact O-NH2 3.34Å; L12-R38 VanDerWaalsContact O-NH2 3.07Å; I17-R38 HydrophobicContact CD1-CG 4.15Å; C36-R38 VanDerWaalsContact C-N 3.31Å; C36-R38 PolarHBondContact O-N 3.29Å; R38-R40 VanDerWaalsContact C-N 3.3Å; R38-E41 PolarHBondContact O-N 2.8Å; R38-C42 PolarHBondContact O-N 3.27Å; R38-C42 PolarHBondContact O-SG 3.24Å
39W92.4Very high90.3Very high27 Ų2759 Ų5910%0.10231%0.307CS..Hα-helixtrans-67.9-34175.7-79.349.2000111.1A9 L12 I17 F21 A32 C36 C42 L43A9-W39 HydrophobicContact CB-CZ2 3.86Å; A9-W39 PolarHBondContact O-NE1 2.98Å; L12-W39 HydrophobicContact CD1-CZ2 4.14Å; I17-W39 HydrophobicContact CD1-CG 4.36Å; I17-W39 HydrophobicContact CG1-CZ2 4.49Å; I17-W39 HydrophobicContact CG2-CD2 3.93Å; I17-W39 HydrophobicContact CG2-CE3 4.35Å; I17-W39 HydrophobicContact CG2-CG 4.02Å; F21-W39 HydrophobicContact CE1-CD2 4.35Å; F21-W39 AromaticContact CE1-CE3 3.44Å; F21-W39 HydrophobicContact CE1-CE3 3.44Å; F21-W39 VanDerWaalsContact CE1-CE3 3.44Å; F21-W39 AromaticContact CE1-CZ3 3.73Å; F21-W39 HydrophobicContact CE1-CZ3 3.73Å; F21-W39 WeakPolarHBondContact CE2-O 3.24Å; F21-W39 HydrophobicContact CZ-CB 4.24Å; F21-W39 HydrophobicContact CZ-CD2 4.41Å; F21-W39 AromaticContact CZ-CE3 3.78Å; F21-W39 HydrophobicContact CZ-CE3 3.78Å; A32-W39 HydrophobicContact CB-CE3 3.98Å; A32-W39 HydrophobicContact CB-CZ3 3.97Å; C36-W39 PolarHBondContact O-N 3.46Å; C36-W39 PolarHBondContact SG-N 3.23Å; C36-W39 VanDerWaalsContact SG-N 3.39Å; W39-C42 PolarHBondContact O-N 2.66Å; W39-L43 PolarHBondContact O-N 3.2Å
40R91.8Very high90Very high131 Ų13160.8 Ų60.849%0.49432%0.32SS..Hα-helixtrans-62.8-42172.4-168.4175.2-66.7157.1-1113.3S33 C36 S37 R38 C42 L43 F44S33-R40 WeakPolarHBondContact O-CB 3.48Å; C36-R40 PolarHBondContact O-N 3.27Å; S37-R40 WeakPolarHBondContact O-CB 3.41Å; S37-R40 PolarHBondContact O-N 2.83Å; R38-R40 VanDerWaalsContact C-N 3.3Å; R40-C42 VanDerWaalsContact C-N 3.32Å; R40-L43 WeakPolarHBondContact O-CB 3.39Å; R40-L43 PolarHBondContact O-N 3.31Å; R40-F44 HydrophobicContact CG-CE2 4.43Å; R40-F44 WeakPolarHBondContact O-CD2 3.29Å; R40-F44 WeakPolarHBondContact O-CE2 3.16Å
41E90Very high90Very high133 Ų13360.1 Ų60.162%0.62131%0.314SS*.Hα-helixtrans-64.1-39.7176.4-73.4169.1-166.500111.5S37 R38 L43 F44S37-E41 WeakPolarHBondContact O-CG 3.46Å; S37-E41 PolarHBondContact O-N 3.4Å; R38-E41 PolarHBondContact O-N 2.8Å; E41-L43 PolarHBondContact O-N 2.84Å; E41-F44 PolarHBondContact O-N 3.37Å
42C92.5Very high89.9Confident2 Ų254.9 Ų54.91%0.01430%0.296CS..Hα-helixtrans-64.4-23.3177.3-64.20000113.1I17 V18 F21 R38 W39 R40 F44 Y45 L48I17-C42 HydrophobicContact CB-CB 4.11Å; I17-C42 HydrophobicContact CG2-CB 3.58Å; V18-C42 HydrophobicContact CG2-CB 4.08Å; F21-C42 HydrophobicContact CE2-CB 4.25Å; R38-C42 PolarHBondContact O-N 3.27Å; R38-C42 PolarHBondContact O-SG 3.24Å; W39-C42 PolarHBondContact O-N 2.66Å; R40-C42 VanDerWaalsContact C-N 3.32Å; C42-F44 PolarHBondContact O-N 2.77Å; C42-Y45 WeakPolarHBondContact O-CD2 3.24Å; C42-Y45 PolarHBondContact O-N 3.28Å; C42-L48 VanDerWaalsContact O-CD1 3.26Å; C42-L48 WeakPolarHBondContact O-CD1 3.39Å
43L90.6Very high89.8Confident9 Ų960.5 Ų60.55%0.04732%0.317CS..Hα-helixtrans-56.9-37.9177.4-173.369.3000111.4F21 K29 L30 W39 R40 E41 Y45 W49F21-L43 HydrophobicContact CD2-CD1 4.48Å; F21-L43 HydrophobicContact CE2-CB 4.25Å; F21-L43 HydrophobicContact CE2-CD1 4.25Å; K29-L43 HydrophobicContact CB-CD1 3.78Å; L30-L43 HydrophobicContact CD2-CD2 3.85Å; W39-L43 PolarHBondContact O-N 3.2Å; R40-L43 WeakPolarHBondContact O-CB 3.39Å; R40-L43 PolarHBondContact O-N 3.31Å; E41-L43 PolarHBondContact O-N 2.84Å; L43-Y45 VanDerWaalsContact C-N 3.25Å; L43-Y45 PolarHBondContact O-N 3.13Å; L43-W49 HydrophobicContact CD1-CZ2 3.79Å; L43-W49 HydrophobicContact CG-CZ2 4.28Å; L43-W49 PolarHBondContact O-NE1 3.1Å
44F89.6Confident89.6Confident51 Ų5160.5 Ų60.522%0.22432%0.316CS..THydrogen-bonded Turntrans-87.213.7-172.4-56.8-75.6000113.9R40 E41 C42 F74 K78 F79R40-F44 HydrophobicContact CG-CE2 4.43Å; R40-F44 WeakPolarHBondContact O-CD2 3.29Å; R40-F44 WeakPolarHBondContact O-CE2 3.16Å; E41-F44 PolarHBondContact O-N 3.37Å; C42-F44 PolarHBondContact O-N 2.77Å; F44-F74 HydrophobicContact CE1-CE1 4.01Å; F44-F74 AromaticContact CE1-CZ 3.68Å; F44-F74 HydrophobicContact CE1-CZ 3.68Å; F44-F74 HydrophobicContact CZ-CE1 4.45Å; F44-F74 AromaticContact CZ-CZ 3.78Å; F44-F74 HydrophobicContact CZ-CZ 3.78Å; F44-K78 HydrophobicContact CD1-CB 4.15Å; F44-K78 HydrophobicContact CD1-CD 4.22Å; F44-K78 HydrophobicContact CD1-CG 4.17Å; F44-K78 HydrophobicContact CE1-CG 4.22Å; F44-F79 AromaticContact CD1-CE1 3.97Å; F44-F79 HydrophobicContact CD1-CE1 3.97Å; F44-F79 HydrophobicContact CD1-CE2 4.28Å; F44-F79 AromaticContact CD1-CZ 3.53Å; F44-F79 HydrophobicContact CD1-CZ 3.53Å; F44-F79 HydrophobicContact CE1-CE2 4.39Å; F44-F79 AromaticContact CE1-CZ 3.88Å; F44-F79 HydrophobicContact CE1-CZ 3.88Å
45Y89.3Confident89.1Confident93 Ų9366.1 Ų66.137%0.36532%0.324SS..  trans-67.3135.3176.9-94.2-108.8000111.4V18 C42 L43 A47 L48V18-Y45 HydrophobicContact CG1-CG 4.48Å; V18-Y45 HydrophobicContact CG2-CD1 3.83Å; V18-Y45 HydrophobicContact CG2-CD2 3.67Å; V18-Y45 HydrophobicContact CG2-CE1 4.32Å; V18-Y45 HydrophobicContact CG2-CE2 4.17Å; V18-Y45 HydrophobicContact CG2-CG 3.45Å; V18-Y45 VanDerWaalsContact CG2-CG 3.45Å; C42-Y45 WeakPolarHBondContact O-CD2 3.24Å; C42-Y45 PolarHBondContact O-N 3.28Å; L43-Y45 VanDerWaalsContact C-N 3.25Å; L43-Y45 PolarHBondContact O-N 3.13Å; Y45-A47 PolarHBondContact O-N 3.44Å; Y45-A47 VanDerWaalsContact O-N 3.08Å; Y45-L48 WeakPolarHBondContact O-CB 3.5Å; Y45-L48 PolarHBondContact O-N 3.22Å
46P86.6Confident88.6Confident64 Ų6461.7 Ų61.742%0.41630%0.297SS..G310 helixtrans-55.6-31.4-177.1-29.334.7000115.7L48 W49 F82P46-L48 PolarHBondContact O-N 3.03Å; P46-W49 PolarHBondContact O-N 3.08Å; P46-F82 VanDerWaalsContact CA-CE2 3.45Å; P46-F82 HydrophobicContact CB-CB 4.04Å; P46-F82 HydrophobicContact CB-CD1 4.26Å; P46-F82 HydrophobicContact CB-CD2 3.52Å; P46-F82 HydrophobicContact CB-CE2 3.95Å; P46-F82 HydrophobicContact CB-CG 3.69Å; P46-F82 HydrophobicContact CB-CZ 4.41Å; P46-F82 HydrophobicContact CG-CB 4.13Å; P46-F82 HydrophobicContact CG-CD1 3.75Å; P46-F82 HydrophobicContact CG-CD2 3.95Å; P46-F82 HydrophobicContact CG-CE1 4Å; P46-F82 HydrophobicContact CG-CE2 4.25Å; P46-F82 HydrophobicContact CG-CG 3.69Å; P46-F82 HydrophobicContact CG-CZ 4.23Å
47A87.8Confident87.6Confident75 Ų7562.3 Ų62.362%0.6231%0.305SS*.G310 helixtrans-66.1-18.6-179.400000113.7V18 Y45V18-A47 HydrophobicContact CG1-CB 4.48Å; Y45-A47 PolarHBondContact O-N 3.44Å; Y45-A47 VanDerWaalsContact O-N 3.08Å
48L88.8Confident86.2Confident11 Ų1160.1 Ų60.16%0.05830%0.296CS..G310 helixtrans-92.4-19.2-176.2-63176.4000114.1V18 F21 K29 C42 Y45 P46V18-L48 HydrophobicContact CG1-CD1 4.3Å; V18-L48 HydrophobicContact CG1-CD2 4.07Å; V18-L48 HydrophobicContact CG1-CG 4.02Å; V18-L48 WeakPolarHBondContact O-CD2 3.34Å; F21-L48 HydrophobicContact CB-CD1 3.73Å; F21-L48 HydrophobicContact CB-CD2 3.57Å; F21-L48 HydrophobicContact CB-CG 4.31Å; F21-L48 HydrophobicContact CD2-CD1 3.62Å; F21-L48 HydrophobicContact CG-CD1 4.19Å; K29-L48 PolarHBondContact NZ-O 3.08Å; K29-L48 VanDerWaalsContact NZ-O 3.1Å; C42-L48 VanDerWaalsContact O-CD1 3.26Å; C42-L48 WeakPolarHBondContact O-CD1 3.39Å; Y45-L48 WeakPolarHBondContact O-CB 3.5Å; Y45-L48 PolarHBondContact O-N 3.22Å; P46-L48 PolarHBondContact O-N 3.03Å
49W87.8Confident84.3Confident33 Ų3359.1 Ų59.113%0.12530%0.297CS..  trans-13560.1-171.5-55.599.9000109.5D26 K29 L43 P46 E51 F79 F82D26-W49 HydrophobicContact CB-CH2 3.91Å; D26-W49 HydrophobicContact CB-CZ3 3.97Å; K29-W49 HydrophobicContact CB-CZ2 4.48Å; K29-W49 HydrophobicContact CD-CH2 4.26Å; K29-W49 HydrophobicContact CD-CZ2 4.04Å; L43-W49 HydrophobicContact CD1-CZ2 3.79Å; L43-W49 HydrophobicContact CG-CZ2 4.28Å; L43-W49 PolarHBondContact O-NE1 3.1Å; P46-W49 PolarHBondContact O-N 3.08Å; W49-E51 VanDerWaalsContact C-N 3.32Å; W49-F79 HydrophobicContact CB-CD1 3.78Å; W49-F79 HydrophobicContact CB-CE1 3.89Å; W49-F79 AromaticContact CD1-CE1 3.36Å; W49-F79 HydrophobicContact CD2-CE1 4.17Å; W49-F79 AromaticContact CG-CD1 3.95Å; W49-F79 HydrophobicContact CG-CD1 3.95Å; W49-F79 AromaticContact CG-CE1 3.52Å; W49-F79 HydrophobicContact CG-CE1 3.52Å; W49-F79 HydrophobicContact CG-CZ 4.32Å; W49-F79 AromaticContact NE1-CE1 3.85Å; W49-F82 HydrophobicContact CB-CE2 4.4Å
50T87.8Confident82Confident56 Ų5661.9 Ų61.934%0.34433%0.333SS..SBendtrans-72.7-31.3175.951.10000111.7R84 E85T50-R84 CarbonylContact O-C 3.54Å; T50-R84 WeakPolarHBondContact O-CA 2.98Å; T50-R84 PolarHBondContact O-N 3.19Å; T50-E85 PolarHBondContact O-N 3.04Å
51E91.1Very high79.5Confident82 Ų8259.6 Ų59.638%0.38334%0.337SS..EExtended strand (participates in β ladder)trans-114136.9179.2-174.6178.3-170.200110W49 K53 E85W49-E51 VanDerWaalsContact C-N 3.32Å; E51-K53 WeakPolarHBondContact OE1-CE 3.35Å; E51-K53 IonicContact OE1-NZ 3.12Å; E51-K53 PolarHBondContact OE1-NZ 3.39Å; E51-E85 CarbonylContact C-O 3.57Å; E51-E85 WeakPolarHBondContact CA-O 3.3Å; E51-E85 HydrophobicContact CB-CB 4.19Å; E51-E85 HydrophobicContact CG-CB 4.09Å
52L91.1Very high77Confident20 Ų2059.5 Ų59.511%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-133.2119175.2-172.863.5000109L54 M76 F79 V83 E85 L86 Q87L52-L54 HydrophobicContact CD1-CD2 3.98Å; L52-L54 HydrophobicContact CD2-CD1 4.17Å; L52-L54 HydrophobicContact CD2-CD2 3.94Å; L52-L54 HydrophobicContact CD2-CG 4.18Å; L52-L54 HydrophobicContact CG-CD1 4.48Å; L52-L54 HydrophobicContact CG-CD2 3.72Å; L52-L54 HydrophobicContact CG-CG 3.96Å; L52-M76 HydrophobicContact CD2-CE 3.48Å; L52-M76 VanDerWaalsContact CD2-CE 3.48Å; L52-F79 HydrophobicContact CD2-CB 4.33Å; L52-V83 HydrophobicContact CB-CG2 3.74Å; L52-E85 PolarHBondContact N-O 3.09Å; L52-L86 HydrophobicContact CB-CD1 4.1Å; L52-L86 HydrophobicContact CD2-CD1 4.05Å; L52-L86 HydrophobicContact CG-CD1 4.22Å; L52-L86 WeakPolarHBondContact O-CA 3.44Å; L52-Q87 PolarHBondContact O-N 2.86Å
53K89.2Confident74.6Confident135 Ų13562.9 Ų62.959%0.58738%0.376SS*.EExtended strand (participates in β ladder)trans-105.2119.3172.4-58.6-171.5-177.2176.80108.7E51 Q87E51-K53 WeakPolarHBondContact OE1-CE 3.35Å; E51-K53 IonicContact OE1-NZ 3.12Å; E51-K53 PolarHBondContact OE1-NZ 3.39Å; K53-Q87 WeakPolarHBondContact CA-O 3.44Å; K53-Q87 HydrophobicContact CG-CB 4.22Å
54L87.7Confident72.5Confident10 Ų1064.6 Ų64.65%0.05239%0.389CS..EExtended strand (participates in β ladder)trans-114.2133.8-179.6-58.1177.6000108.3L52 L72 L75 M76 L86 Q87 L88 E89 V136L52-L54 HydrophobicContact CD1-CD2 3.98Å; L52-L54 HydrophobicContact CD2-CD1 4.17Å; L52-L54 HydrophobicContact CD2-CD2 3.94Å; L52-L54 HydrophobicContact CD2-CG 4.18Å; L52-L54 HydrophobicContact CG-CD1 4.48Å; L52-L54 HydrophobicContact CG-CD2 3.72Å; L52-L54 HydrophobicContact CG-CG 3.96Å; L54-L72 HydrophobicContact CD1-CD1 3.87Å; L54-L72 HydrophobicContact CD2-CD1 4.38Å; L54-L75 HydrophobicContact CD2-CD1 3.77Å; L54-M76 HydrophobicContact CD1-CE 3.51Å; L54-M76 HydrophobicContact CD1-SD 4.42Å; L54-L86 HydrophobicContact CD1-CD1 3.72Å; L54-L86 HydrophobicContact CG-CD1 4.13Å; L54-Q87 PolarHBondContact N-O 2.91Å; L54-L88 HydrophobicContact CB-CD1 3.7Å; L54-L88 HydrophobicContact CD1-CD1 4.35Å; L54-L88 WeakPolarHBondContact O-CA 3.43Å; L54-E89 PolarHBondContact O-N 3.3Å; L54-V136 HydrophobicContact CD1-CG2 4.02Å
55R82Confident70.7Confident183 Ų18363 Ų6369%0.69139%0.387SS*.EExtended strand (participates in β ladder)trans-109.7128.7166.2-72.1179.1173.8178.2-9.6107.7E89R55-E89 CarbonylContact C-O 3.53Å; R55-E89 VanDerWaalsContact CA-O 3.24Å; R55-E89 WeakPolarHBondContact CA-O 3.41Å; R55-E89 HydrophobicContact CG-CB 4.16Å; R55-E89 HydrophobicContact CG-CG 4.3Å; R55-E89 IonicContact CZ-OE2 3.46Å; R55-E89 VanDerWaalsContact CZ-OE2 3.31Å; R55-E89 IonicContact NE-OE2 3.83Å; R55-E89 PolarHBondContact NE-OE2 3.02Å; R55-E89 IonicContact NH2-OE1 2.75Å; R55-E89 IonicContact NH2-OE2 2.98Å; R55-E89 PolarHBondContact NH2-OE2 3.36Å
56I78.3Confident69.1Low1 Ų163 Ų631%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-124.3152.1-179.458.1161.4000109L72 L88 E89 L90 A91 Y129 Q132 V133I56-L72 HydrophobicContact CG2-CD2 4.1Å; I56-L88 HydrophobicContact CB-CD1 4.26Å; I56-L88 HydrophobicContact CD1-CD1 3.81Å; I56-L88 HydrophobicContact CD1-CD2 3.79Å; I56-L88 HydrophobicContact CD1-CG 3.86Å; I56-L88 HydrophobicContact CG1-CD1 3.72Å; I56-L88 HydrophobicContact CG1-CG 4.04Å; I56-L88 HydrophobicContact CG2-CD1 3.58Å; I56-E89 PolarHBondContact N-O 3.03Å; I56-L90 HydrophobicContact CD1-CD1 3.87Å; I56-L90 HydrophobicContact CD1-CG 4.09Å; I56-L90 HydrophobicContact CG1-CD1 3.99Å; I56-L90 HydrophobicContact CG1-CG 4.02Å; I56-L90 CarbonylContact O-C 3.46Å; I56-L90 VanDerWaalsContact O-CA 3.29Å; I56-L90 WeakPolarHBondContact O-CA 3.46Å; I56-A91 PolarHBondContact O-N 3.45Å; I56-Y129 HydrophobicContact CD1-CD2 3.89Å; I56-Y129 HydrophobicContact CD1-CE2 4.01Å; I56-Q132 HydrophobicContact CB-CB 4.21Å; I56-Q132 HydrophobicContact CD1-CB 4.42Å; I56-Q132 HydrophobicContact CG2-CB 4.1Å; I56-V133 HydrophobicContact CD1-CG2 3.57Å
57G68.1Low68.1Low26 Ų2665.7 Ų65.727%0.26841%0.411SS..  trans91.7128.2-164.700000111.2A91G57-A91 VanDerWaalsContact O-CB 3.32Å; G57-A91 WeakPolarHBondContact O-CB 3.43Å
58G58.7Low67.4Low37 Ų3766.1 Ų66.138%0.38140%0.4SS..  trans157.7117.4-173.900000112.8
59D48.5Very low66.8Low63 Ų6367.2 Ų67.234%0.33741%0.407SS..  trans63.478.5158-158.418.7000119C61 N62 S64D59-C61 PolarHBondContact O-N 2.95Å; D59-C61 WeakPolarHBondContact OD1-CA 3.26Å; D59-C61 PolarHBondContact OD1-N 3.44Å; D59-N62 PolarHBondContact OD1-N 3.08Å; D59-N62 VanDerWaalsContact OD2-CB 3.27Å; D59-N62 WeakPolarHBondContact OD2-CB 3.34Å; D59-N62 PolarHBondContact OD2-N 2.99Å; D59-S64 PolarHBondContact OD2-OG 3.1Å
60G44.2Very low66.7Low84 Ų8468 Ų6887%0.86642%0.421SS*.SBendtrans-74.60.9158.800000114.1
61C40.3Very low66.7Low84 Ų8471.9 Ų71.957%0.56843%0.433SS*.SBendtrans-113.6-22.8-168.3-70.90000115.5D59D59-C61 PolarHBondContact O-N 2.95Å; D59-C61 WeakPolarHBondContact OD1-CA 3.26Å; D59-C61 PolarHBondContact OD1-N 3.44Å
62N38.1Very low66.6Low130 Ų13068.5 Ų68.570%0.69542%0.418SS*.SBendtrans-126.947.5178.1-60.8-44.9000114.9D59 S64D59-N62 PolarHBondContact OD1-N 3.08Å; D59-N62 VanDerWaalsContact OD2-CB 3.27Å; D59-N62 WeakPolarHBondContact OD2-CB 3.34Å; D59-N62 PolarHBondContact OD2-N 2.99Å; N62-S64 PolarHBondContact O-N 3.49Å
63G40.8Very low66.6Low74 Ų7473 Ų7376%0.76344%0.438SS*.SBendtrans57.110.3163.300000116.9
64S46.7Very low66.7Low44 Ų4470.4 Ų70.431%0.30843%0.427SS..  trans-98.3-17.9-170.372.80000112.8D59 N62 S66 D67 E68D59-S64 PolarHBondContact OD2-OG 3.1Å; N62-S64 PolarHBondContact O-N 3.49Å; S64-S66 PolarHBondContact O-N 2.88Å; S64-D67 PolarHBondContact O-N 2.81Å; S64-E68 PolarHBondContact O-N 3.45Å
65G51Low66.9Low18 Ų1871.6 Ų71.619%0.18643%0.433CS..Hα-helixtrans-59.5-20.4-179.100000115.3T69G65-T69 WeakPolarHBondContact O-CB 3.47Å; G65-T69 PolarHBondContact O-N 2.9Å; G65-T69 PolarHBondContact O-OG1 3.43Å
66S57.4Low67.4Low92 Ų9263.1 Ų63.164%0.64340%0.402SS*.Hα-helixtrans-71.2-35.2172.970.30000113S64 A70S64-S66 PolarHBondContact O-N 2.88Å; S66-A70 WeakPolarHBondContact O-CB 3.47Å; S66-A70 PolarHBondContact O-N 3.44Å; S66-A70 VanDerWaalsContact O-N 3.08Å
67D65.5Low68.1Low121 Ų12172 Ų7265%0.64744%0.435SS*.Hα-helixtrans-77.2-36.9-179-163.136.9000111S64 A70 K71S64-D67 PolarHBondContact O-N 2.81Å; D67-A70 PolarHBondContact O-N 2.87Å; D67-K71 VanDerWaalsContact O-CB 3.31Å; D67-K71 WeakPolarHBondContact O-CB 3.34Å; D67-K71 PolarHBondContact O-N 2.9Å
68E71.7Confident69.1Low84 Ų8474.5 Ų74.539%0.39344%0.439SS..Hα-helixtrans-64.5-41.4173.7-65.8-145.713600112.5S64 K71 L72S64-E68 PolarHBondContact O-N 3.45Å; E68-K71 WeakPolarHBondContact O-CB 3.46Å; E68-K71 PolarHBondContact O-N 3.19Å; E68-L72 WeakPolarHBondContact O-CB 3.33Å; E68-L72 PolarHBondContact O-N 3.38Å
69T77.7Confident70.7Confident34 Ų3473.3 Ų73.321%0.20942%0.423CS..Hα-helixtrans-66.8-42.5176.9-55.60000111.2G65 K71 L72 E73G65-T69 WeakPolarHBondContact O-CB 3.47Å; G65-T69 PolarHBondContact O-N 2.9Å; G65-T69 PolarHBondContact O-OG1 3.43Å; T69-K71 VanDerWaalsContact C-N 3.32Å; T69-K71 PolarHBondContact O-N 2.94Å; T69-L72 WeakPolarHBondContact O-CB 3.5Å; T69-L72 PolarHBondContact O-N 2.96Å; T69-E73 WeakPolarHBondContact O-CG 3.31Å; T69-E73 PolarHBondContact O-N 2.92Å
70A84.9Confident72.7Confident51 Ų5170.3 Ų70.342%0.42141%0.407SS..Hα-helixtrans-62.9-38.517500000112.3S66 D67 F74S66-A70 WeakPolarHBondContact O-CB 3.47Å; S66-A70 PolarHBondContact O-N 3.44Å; S66-A70 VanDerWaalsContact O-N 3.08Å; D67-A70 PolarHBondContact O-N 2.87Å; A70-F74 WeakPolarHBondContact O-CB 3.47Å; A70-F74 PolarHBondContact O-N 3.35Å
71K87.5Confident74.9Confident136 Ų13669.8 Ų69.859%0.59139%0.39SS*.Hα-helixtrans-62.9-44.7173-179.6-176.5175.5-170.70111.1D67 E68 T69 F74 L75D67-K71 VanDerWaalsContact O-CB 3.31Å; D67-K71 WeakPolarHBondContact O-CB 3.34Å; D67-K71 PolarHBondContact O-N 2.9Å; E68-K71 WeakPolarHBondContact O-CB 3.46Å; E68-K71 PolarHBondContact O-N 3.19Å; T69-K71 VanDerWaalsContact C-N 3.32Å; T69-K71 PolarHBondContact O-N 2.94Å; K71-F74 WeakPolarHBondContact O-CB 3.31Å; K71-F74 PolarHBondContact O-N 3.28Å; K71-L75 HydrophobicContact CG-CD1 4.42Å; K71-L75 VanDerWaalsContact O-CG 3.31Å; K71-L75 WeakPolarHBondContact O-CG 3.48Å; K71-L75 PolarHBondContact O-N 3.16Å
72L89.4Confident77.3Confident11 Ų1167.3 Ų67.36%0.05837%0.37CS..Hα-helixtrans-60.6-47.8176.9-176.362.7000111.6L54 I56 E68 T69 F74 L75 M76 Q132 C135 V136L54-L72 HydrophobicContact CD1-CD1 3.87Å; L54-L72 HydrophobicContact CD2-CD1 4.38Å; I56-L72 HydrophobicContact CG2-CD2 4.1Å; E68-L72 WeakPolarHBondContact O-CB 3.33Å; E68-L72 PolarHBondContact O-N 3.38Å; T69-L72 WeakPolarHBondContact O-CB 3.5Å; T69-L72 PolarHBondContact O-N 2.96Å; L72-F74 VanDerWaalsContact C-N 3.31Å; L72-F74 PolarHBondContact O-N 2.9Å; L72-L75 PolarHBondContact O-N 3.43Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L72-M76 HydrophobicContact CD1-CG 4.42Å; L72-M76 WeakPolarHBondContact O-CB 3.41Å; L72-M76 WeakPolarHBondContact O-CG 3.49Å; L72-M76 PolarHBondContact O-N 3.42Å; L72-Q132 HydrophobicContact CD2-CB 3.66Å; L72-Q132 HydrophobicContact CD2-CG 3.85Å; L72-C135 HydrophobicContact CD2-CB 4.32Å; L72-V136 HydrophobicContact CD1-CG2 3.82Å; L72-V136 HydrophobicContact CD2-CG2 4.17Å; L72-V136 HydrophobicContact CG-CG2 4.31Å
73E91Very high79.9Confident114 Ų11461.1 Ų61.153%0.53334%0.337SS..Hα-helixtrans-57.5-43.5174.8-75.3-178.5-174.800112T69 M76 R77 C135T69-E73 WeakPolarHBondContact O-CG 3.31Å; T69-E73 PolarHBondContact O-N 2.92Å; E73-M76 PolarHBondContact O-N 3.08Å; E73-R77 VanDerWaalsContact O-CB 3.26Å; E73-R77 WeakPolarHBondContact O-CB 2.74Å; E73-R77 PolarHBondContact O-N 3.39Å; E73-C135 VanDerWaalsContact CG-SG 3.55Å
74F91.1Very high82.5Confident81 Ų8163.4 Ų63.436%0.35532%0.322SS..Hα-helixtrans-60-47.4175.7173-92.5000111.6F44 A70 K71 L72 R77 K78F44-F74 HydrophobicContact CE1-CE1 4.01Å; F44-F74 AromaticContact CE1-CZ 3.68Å; F44-F74 HydrophobicContact CE1-CZ 3.68Å; F44-F74 HydrophobicContact CZ-CE1 4.45Å; F44-F74 AromaticContact CZ-CZ 3.78Å; F44-F74 HydrophobicContact CZ-CZ 3.78Å; A70-F74 WeakPolarHBondContact O-CB 3.47Å; A70-F74 PolarHBondContact O-N 3.35Å; K71-F74 WeakPolarHBondContact O-CB 3.31Å; K71-F74 PolarHBondContact O-N 3.28Å; L72-F74 VanDerWaalsContact C-N 3.31Å; L72-F74 PolarHBondContact O-N 2.9Å; F74-R77 PolarHBondContact O-N 3.04Å; F74-K78 HydrophobicContact CD2-CG 4.33Å; F74-K78 HydrophobicContact CE1-CG 4.15Å; F74-K78 HydrophobicContact CE2-CG 3.93Å; F74-K78 HydrophobicContact CZ-CG 3.83Å; F74-K78 WeakPolarHBondContact O-CB 3.39Å; F74-K78 WeakPolarHBondContact O-CG 3.48Å; F74-K78 PolarHBondContact O-N 3.3Å
75L91.3Very high84.8Confident35 Ų3564.3 Ų64.318%0.18332%0.322CS..Hα-helixtrans-62-46.8178.9-69.3175.8000110.9L54 K71 L72 R77 K78 F79L54-L75 HydrophobicContact CD2-CD1 3.77Å; K71-L75 HydrophobicContact CG-CD1 4.42Å; K71-L75 VanDerWaalsContact O-CG 3.31Å; K71-L75 WeakPolarHBondContact O-CG 3.48Å; K71-L75 PolarHBondContact O-N 3.16Å; L72-L75 PolarHBondContact O-N 3.43Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L75-R77 PolarHBondContact O-N 2.95Å; L75-K78 PolarHBondContact O-N 3.27Å; L75-F79 HydrophobicContact CB-CD2 4.31Å; L75-F79 HydrophobicContact CD2-CD2 3.8Å; L75-F79 HydrophobicContact CD2-CE2 3.59Å; L75-F79 WeakPolarHBondContact O-CB 3.46Å; L75-F79 VanDerWaalsContact O-CD2 3.3Å; L75-F79 WeakPolarHBondContact O-CD2 3.49Å; L75-F79 PolarHBondContact O-N 2.95Å
76M93.6Very high86.8Confident6 Ų663.6 Ų63.63%0.0331%0.313CS..Hα-helixtrans-63.3-41.4179.3-71.9-53.995.400112.4L52 L54 L72 E73 K78 G80 V136 I140L52-M76 HydrophobicContact CD2-CE 3.48Å; L52-M76 VanDerWaalsContact CD2-CE 3.48Å; L54-M76 HydrophobicContact CD1-CE 3.51Å; L54-M76 HydrophobicContact CD1-SD 4.42Å; L72-M76 HydrophobicContact CD1-CG 4.42Å; L72-M76 WeakPolarHBondContact O-CB 3.41Å; L72-M76 WeakPolarHBondContact O-CG 3.49Å; L72-M76 PolarHBondContact O-N 3.42Å; E73-M76 PolarHBondContact O-N 3.08Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 2.74Å; M76-G80 WeakPolarHBondContact O-CA 3.28Å; M76-G80 PolarHBondContact O-N 2.89Å; M76-V136 HydrophobicContact CG-CG2 4.4Å; M76-V136 HydrophobicContact SD-CB 4.23Å; M76-V136 HydrophobicContact SD-CG1 4.12Å; M76-V136 HydrophobicContact SD-CG2 4.18Å; M76-I140 HydrophobicContact SD-CG2 4.3Å
77R92Very high88.5Confident187 Ų18761 Ų6171%0.70629%0.291SS*.Hα-helixtrans-64.6-33.6175.7-172.6174.365.8141.1-3.6113E73 F74 L75E73-R77 VanDerWaalsContact O-CB 3.26Å; E73-R77 WeakPolarHBondContact O-CB 2.74Å; E73-R77 PolarHBondContact O-N 3.39Å; F74-R77 PolarHBondContact O-N 3.04Å; L75-R77 PolarHBondContact O-N 2.95Å
78K90.3Very high89.6Confident79 Ų7955.2 Ų55.234%0.34326%0.26SS..Hα-helixtrans-88.7-42-176.4-71.6-62.4-174.2-179.90113.7F44 F74 L75 M76 F82F44-K78 HydrophobicContact CD1-CB 4.15Å; F44-K78 HydrophobicContact CD1-CD 4.22Å; F44-K78 HydrophobicContact CD1-CG 4.17Å; F44-K78 HydrophobicContact CE1-CG 4.22Å; F74-K78 HydrophobicContact CD2-CG 4.33Å; F74-K78 HydrophobicContact CE1-CG 4.15Å; F74-K78 HydrophobicContact CE2-CG 3.93Å; F74-K78 HydrophobicContact CZ-CG 3.83Å; F74-K78 WeakPolarHBondContact O-CB 3.39Å; F74-K78 WeakPolarHBondContact O-CG 3.48Å; F74-K78 PolarHBondContact O-N 3.3Å; L75-K78 PolarHBondContact O-N 3.27Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 2.74Å; K78-F82 WeakPolarHBondContact O-CE1 3.23Å
79F91.3Very high90.1Very high12 Ų1253.1 Ų53.15%0.05325%0.251CS..Hα-helixtrans-111.7-23-169-56-74.5000113.3F44 W49 L52 L75 S81 F82 V83F44-F79 AromaticContact CD1-CE1 3.97Å; F44-F79 HydrophobicContact CD1-CE1 3.97Å; F44-F79 HydrophobicContact CD1-CE2 4.28Å; F44-F79 AromaticContact CD1-CZ 3.53Å; F44-F79 HydrophobicContact CD1-CZ 3.53Å; F44-F79 HydrophobicContact CE1-CE2 4.39Å; F44-F79 AromaticContact CE1-CZ 3.88Å; F44-F79 HydrophobicContact CE1-CZ 3.88Å; W49-F79 HydrophobicContact CB-CD1 3.78Å; W49-F79 HydrophobicContact CB-CE1 3.89Å; W49-F79 AromaticContact CD1-CE1 3.36Å; W49-F79 HydrophobicContact CD2-CE1 4.17Å; W49-F79 AromaticContact CG-CD1 3.95Å; W49-F79 HydrophobicContact CG-CD1 3.95Å; W49-F79 AromaticContact CG-CE1 3.52Å; W49-F79 HydrophobicContact CG-CE1 3.52Å; W49-F79 HydrophobicContact CG-CZ 4.32Å; W49-F79 AromaticContact NE1-CE1 3.85Å; L52-F79 HydrophobicContact CD2-CB 4.33Å; L75-F79 HydrophobicContact CB-CD2 4.31Å; L75-F79 HydrophobicContact CD2-CD2 3.8Å; L75-F79 HydrophobicContact CD2-CE2 3.59Å; L75-F79 WeakPolarHBondContact O-CB 3.46Å; L75-F79 VanDerWaalsContact O-CD2 3.3Å; L75-F79 WeakPolarHBondContact O-CD2 3.49Å; L75-F79 PolarHBondContact O-N 2.95Å; F79-S81 PolarHBondContact O-N 2.77Å; F79-S81 VanDerWaalsContact O-N 3.08Å; F79-F82 HydrophobicContact CB-CE2 4.32Å; F79-F82 HydrophobicContact CB-CZ 4.28Å; F79-F82 HydrophobicContact CD1-CE1 4.49Å; F79-F82 AromaticContact CD1-CE2 3.74Å; F79-F82 HydrophobicContact CD1-CE2 3.74Å; F79-F82 AromaticContact CD1-CZ 3.44Å; F79-F82 HydrophobicContact CD1-CZ 3.44Å; F79-F82 VanDerWaalsContact CD1-CZ 3.44Å; F79-F82 HydrophobicContact CE1-CZ 4.17Å; F79-F82 HydrophobicContact CG-CZ 4.26Å; F79-F82 PolarHBondContact O-N 3.15Å; F79-F82 VanDerWaalsContact O-N 3.1Å; F79-V83 WeakPolarHBondContact O-CB 3.4Å; F79-V83 PolarHBondContact O-N 2.87Å
80G90.6Very high89.9Confident0 Ų052.1 Ų52.10%024%0.244CC..THydrogen-bonded Turntrans-57.3-31.9-170.300000114.3M76 F82 G139 N143M76-G80 WeakPolarHBondContact O-CA 3.28Å; M76-G80 PolarHBondContact O-N 2.89Å; G80-F82 PolarHBondContact O-N 2.82Å; G80-G139 CarbonylContact C-O 3.55Å; G80-N143 WeakPolarHBondContact O-CB 3.45Å; G80-N143 PolarHBondContact O-ND2 3.27Å
81S90.1Very high89Confident73 Ų7351.1 Ų51.151%0.5124%0.236SC..THydrogen-bonded Turntrans-76.4-18.7-177.862.40000115.2F79F79-S81 PolarHBondContact O-N 2.77Å; F79-S81 VanDerWaalsContact O-N 3.08Å
82F90.8Very high87.7Confident32 Ų3246 Ų4614%0.1422%0.216CC..THydrogen-bonded Turntrans-131.4-9.9-174.163.7-112.2000115.3P46 W49 K78 F79 G80 R84P46-F82 VanDerWaalsContact CA-CE2 3.45Å; P46-F82 HydrophobicContact CB-CB 4.04Å; P46-F82 HydrophobicContact CB-CD1 4.26Å; P46-F82 HydrophobicContact CB-CD2 3.52Å; P46-F82 HydrophobicContact CB-CE2 3.95Å; P46-F82 HydrophobicContact CB-CG 3.69Å; P46-F82 HydrophobicContact CB-CZ 4.41Å; P46-F82 HydrophobicContact CG-CB 4.13Å; P46-F82 HydrophobicContact CG-CD1 3.75Å; P46-F82 HydrophobicContact CG-CD2 3.95Å; P46-F82 HydrophobicContact CG-CE1 4Å; P46-F82 HydrophobicContact CG-CE2 4.25Å; P46-F82 HydrophobicContact CG-CG 3.69Å; P46-F82 HydrophobicContact CG-CZ 4.23Å; W49-F82 HydrophobicContact CB-CE2 4.4Å; K78-F82 WeakPolarHBondContact O-CE1 3.23Å; F79-F82 HydrophobicContact CB-CE2 4.32Å; F79-F82 HydrophobicContact CB-CZ 4.28Å; F79-F82 HydrophobicContact CD1-CE1 4.49Å; F79-F82 AromaticContact CD1-CE2 3.74Å; F79-F82 HydrophobicContact CD1-CE2 3.74Å; F79-F82 AromaticContact CD1-CZ 3.44Å; F79-F82 HydrophobicContact CD1-CZ 3.44Å; F79-F82 VanDerWaalsContact CD1-CZ 3.44Å; F79-F82 HydrophobicContact CE1-CZ 4.17Å; F79-F82 HydrophobicContact CG-CZ 4.26Å; F79-F82 PolarHBondContact O-N 3.15Å; F79-F82 VanDerWaalsContact O-N 3.1Å; G80-F82 PolarHBondContact O-N 2.82Å; F82-R84 PolarHBondContact O-N 2.92Å
83V93.7Very high86.1Confident0 Ų047.6 Ų47.60%023%0.226CC..  trans-53.2137.5177.364.10000110.2L52 F79 E85 I140 N143 L146L52-V83 HydrophobicContact CB-CG2 3.74Å; F79-V83 WeakPolarHBondContact O-CB 3.4Å; F79-V83 PolarHBondContact O-N 2.87Å; V83-E85 VanDerWaalsContact CG2-O 3.28Å; V83-E85 WeakPolarHBondContact CG2-O 3.47Å; V83-I140 HydrophobicContact CG1-CG2 4.39Å; V83-N143 WeakPolarHBondContact CG1-ND2 3.47Å; V83-N143 PolarHBondContact N-ND2 2.94Å; V83-N143 PolarHBondContact O-ND2 2.98Å; V83-L146 HydrophobicContact CG1-CD1 4.19Å
84R94.3Very high84.1Confident121 Ų12150.6 Ų50.646%0.45724%0.24SC..SBendtrans-100.3-33.2-178.8-63.6-175.2-178.4-177.9-0.2111.8T50 F82 Q147 K148T50-R84 CarbonylContact O-C 3.54Å; T50-R84 WeakPolarHBondContact O-CA 2.98Å; T50-R84 PolarHBondContact O-N 3.19Å; F82-R84 PolarHBondContact O-N 2.92Å; R84-Q147 WeakPolarHBondContact O-CA 3.34Å; R84-Q147 PolarHBondContact O-N 3.02Å; R84-K148 PolarHBondContact O-N 2.8Å
85E95.3Very high81.9Confident64 Ų6449.1 Ų49.130%0.29925%0.248SC..EExtended strand (participates in β ladder)trans-127.1115.9179-51.5-168.5-164.400108.9T50 E51 L52 V83 K148T50-E85 PolarHBondContact O-N 3.04Å; E51-E85 CarbonylContact C-O 3.57Å; E51-E85 WeakPolarHBondContact CA-O 3.3Å; E51-E85 HydrophobicContact CB-CB 4.19Å; E51-E85 HydrophobicContact CG-CB 4.09Å; L52-E85 PolarHBondContact N-O 3.09Å; V83-E85 VanDerWaalsContact CG2-O 3.28Å; V83-E85 WeakPolarHBondContact CG2-O 3.47Å; E85-K148 WeakPolarHBondContact CA-O 3.38Å; E85-K148 HydrophobicContact CB-CB 4Å; E85-K148 HydrophobicContact CG-CB 3.9Å
86L94.5Very high79.4Confident2 Ų250.8 Ų50.81%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-116.3122.6176.6-17968.2000109.1L52 L54 V136 I140 L146 K148 L149 S150L52-L86 HydrophobicContact CB-CD1 4.1Å; L52-L86 HydrophobicContact CD2-CD1 4.05Å; L52-L86 HydrophobicContact CG-CD1 4.22Å; L52-L86 WeakPolarHBondContact O-CA 3.44Å; L54-L86 HydrophobicContact CD1-CD1 3.72Å; L54-L86 HydrophobicContact CG-CD1 4.13Å; L86-V136 HydrophobicContact CD2-CG1 3.78Å; L86-I140 HydrophobicContact CD2-CD1 3.67Å; L86-I140 HydrophobicContact CD2-CG2 4.06Å; L86-L146 HydrophobicContact CB-CD1 4.09Å; L86-K148 PolarHBondContact N-O 3.17Å; L86-L149 HydrophobicContact CB-CD1 4.23Å; L86-L149 HydrophobicContact CD2-CD1 3.96Å; L86-L149 HydrophobicContact CG-CD1 4.35Å; L86-S150 PolarHBondContact O-N 3.29Å
87Q91.3Very high76.6Confident38 Ų3856.4 Ų56.418%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-114.9123.7168.9-178.2174.2-13.600108.9L52 K53 L54 S150 Y152L52-Q87 PolarHBondContact O-N 2.86Å; K53-Q87 WeakPolarHBondContact CA-O 3.44Å; K53-Q87 HydrophobicContact CG-CB 4.22Å; L54-Q87 PolarHBondContact N-O 2.91Å; Q87-S150 CarbonylContact C-O 3.59Å; Q87-S150 VanDerWaalsContact CA-O 3.31Å; Q87-S150 WeakPolarHBondContact CA-O 3.42Å; Q87-Y152 HydrophobicContact CG-CD2 4.04Å; Q87-Y152 HydrophobicContact CG-CE2 3.93Å
88L88.5Confident73.5Confident0 Ų052.3 Ų52.30%029%0.287CS..EExtended strand (participates in β ladder)trans-113.4119.7173.6-17265000108.1L54 I56 V133 V136 S150 L151 Y152L54-L88 HydrophobicContact CB-CD1 3.7Å; L54-L88 HydrophobicContact CD1-CD1 4.35Å; L54-L88 WeakPolarHBondContact O-CA 3.43Å; I56-L88 HydrophobicContact CB-CD1 4.26Å; I56-L88 HydrophobicContact CD1-CD1 3.81Å; I56-L88 HydrophobicContact CD1-CD2 3.79Å; I56-L88 HydrophobicContact CD1-CG 3.86Å; I56-L88 HydrophobicContact CG1-CD1 3.72Å; I56-L88 HydrophobicContact CG1-CG 4.04Å; I56-L88 HydrophobicContact CG2-CD1 3.58Å; L88-V133 HydrophobicContact CD2-CG2 4.28Å; L88-V136 HydrophobicContact CD1-CG2 4.19Å; L88-V136 HydrophobicContact CD2-CG1 4.48Å; L88-S150 PolarHBondContact N-O 3.26Å; L88-L151 HydrophobicContact CB-CD2 3.65Å; L88-L151 HydrophobicContact CD2-CD2 3.97Å; L88-L151 HydrophobicContact CG-CD2 4.46Å; L88-Y152 PolarHBondContact O-N 3.38Å
89E82.2Confident70.7Confident40 Ų4054.6 Ų54.619%0.18731%0.309CS..EExtended strand (participates in β ladder)trans-117.3131.9177.5170.4171.4-147.200108.5L54 R55 I56 H485L54-E89 PolarHBondContact O-N 3.3Å; R55-E89 CarbonylContact C-O 3.53Å; R55-E89 VanDerWaalsContact CA-O 3.24Å; R55-E89 WeakPolarHBondContact CA-O 3.41Å; R55-E89 HydrophobicContact CG-CB 4.16Å; R55-E89 HydrophobicContact CG-CG 4.3Å; R55-E89 IonicContact CZ-OE2 3.46Å; R55-E89 VanDerWaalsContact CZ-OE2 3.31Å; R55-E89 IonicContact NE-OE2 3.83Å; R55-E89 PolarHBondContact NE-OE2 3.02Å; R55-E89 IonicContact NH2-OE1 2.75Å; R55-E89 IonicContact NH2-OE2 2.98Å; R55-E89 PolarHBondContact NH2-OE2 3.36Å; I56-E89 PolarHBondContact N-O 3.03Å; E89-H485 IonicContact OE1-CE1 3.16Å; E89-H485 PolarHBondContact OE1-CE1 3.42Å; E89-H485 IonicContact OE1-ND1 3.98Å
90L74.8Confident67.8Low13 Ų1361.8 Ų61.87%0.06835%0.348CS..EExtended strand (participates in β ladder)trans-87.1128.2173.6-77.464.7000108.6I56 Y129 Y152 M204I56-L90 HydrophobicContact CD1-CD1 3.87Å; I56-L90 HydrophobicContact CD1-CG 4.09Å; I56-L90 HydrophobicContact CG1-CD1 3.99Å; I56-L90 HydrophobicContact CG1-CG 4.02Å; I56-L90 CarbonylContact O-C 3.46Å; I56-L90 VanDerWaalsContact O-CA 3.29Å; I56-L90 WeakPolarHBondContact O-CA 3.46Å; L90-Y129 HydrophobicContact CD1-CD2 4.43Å; L90-Y129 HydrophobicContact CD1-CE2 3.83Å; L90-Y129 HydrophobicContact CD2-CD2 3.45Å; L90-Y129 VanDerWaalsContact CD2-CD2 3.45Å; L90-Y129 HydrophobicContact CD2-CE2 3.16Å; L90-Y129 HydrophobicContact CD2-CG 4.37Å; L90-Y129 HydrophobicContact CG-CD2 3.85Å; L90-Y129 HydrophobicContact CG-CE2 3.66Å; L90-Y152 WeakPolarHBondContact CD1-O 3.48Å; L90-Y152 PolarHBondContact N-O 2.68Å; L90-M204 HydrophobicContact CD1-CE 4.11Å; L90-M204 HydrophobicContact CD1-SD 3.63Å
91A66.3Low64.8Low30 Ų3066.1 Ų66.125%0.24838%0.377CS..PPolyproline II helixtrans-76.8145.5170.400000110I56 G57I56-A91 PolarHBondContact O-N 3.45Å; G57-A91 VanDerWaalsContact O-CB 3.32Å; G57-A91 WeakPolarHBondContact O-CB 3.43Å
92P59.6Low61.9Low27 Ų2771 Ų7118%0.17540%0.398CS..PPolyproline II helixtrans-57.5147.4171.721.6-30.8000111E94 D154P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 3.23Å; P92-D154 WeakPolarHBondContact CA-OD2 3.38Å; P92-D154 VanDerWaalsContact CB-OD2 3.24Å; P92-D154 WeakPolarHBondContact CB-OD2 3.41Å
93V54.9Low58.9Low46 Ų4674 Ų7428%0.27942%0.415SS..  trans-72.494169.2-178.80000107.4G95 A125 I157V93-G95 PolarHBondContact O-N 3.02Å; V93-A125 HydrophobicContact CG1-CB 4.25Å; V93-A125 HydrophobicContact CG2-CB 3.74Å; V93-I157 HydrophobicContact CG2-CD1 4.07Å; V93-I157 HydrophobicContact CG2-CG1 4Å
94E49.8Very low55.9Low177 Ų17779.8 Ų79.883%0.82745%0.453SS*.THydrogen-bonded Turntrans-57.1123.6175.2-69.5-174.8175.200109.9P92P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 3.23Å
95G44.6Very low52.8Low49 Ų4979.8 Ų79.851%0.50547%0.467SS..THydrogen-bonded Turntrans126.24.4172.300000117.9V93V93-G95 PolarHBondContact O-N 3.02Å
96N38.4Very low49.5Very low71 Ų7179.8 Ų79.838%0.3848%0.478SS..SBendtrans-89.4-10170.9-80.8-15.5000114.3
97L35.6Very low46.4Very low123 Ų12384.4 Ų84.464%0.64452%0.516SS*.SBendtrans-128.5114.4167.5-64.5171.9000107.5
98S26.4Very low43.3Very low102 Ų10293.3 Ų93.371%0.71355%0.548SS*.  trans-56.1142.9173.7150000110.2L100S98-L100 PolarHBondContact O-N 3.48Å
99P31.3Very low40.6Very low126 Ų126101.6 Ų101.682%0.81859%0.589SS**  trans-65.5111.3165.126.8-28.6000106.9S101P99-S101 PolarHBondContact O-N 3.24Å
100L30.7Very low37.9Very low164 Ų164108.9 Ų108.986%0.85962%0.623SS**  trans-55108.4172.2-83.7155.3000107.9S98 N102S98-L100 PolarHBondContact O-N 3.48Å; L100-N102 PolarHBondContact O-N 2.83Å
101S28.7Very low35.7Very low90 Ų90115.8 Ų115.863%0.62966%0.655SS**  trans-62.6131.4175.155.90000109.6P99 D103P99-S101 PolarHBondContact O-N 3.24Å; S101-D103 PolarHBondContact O-N 3.34Å
102N29.3Very low34.2Very low177 Ų177119.7 Ų119.795%0.94768%0.678SS**SBendtrans-65.733.6178.1-77.4-20.4000115.2L100L100-N102 PolarHBondContact O-N 2.83Å
103D26.8Very low33Very low93 Ų93122.7 Ų122.750%0.49770%0.697SS.*  trans-108.6111.5178.2-157.1-28.9000111.6S101 T105 A106S101-D103 PolarHBondContact O-N 3.34Å; D103-T105 PolarHBondContact O-N 2.74Å; D103-T105 PolarHBondContact OD1-N 2.72Å; D103-T105 PolarHBondContact OD1-OG1 2.84Å; D103-A106 PolarHBondContact O-N 2.83Å
104P30.5Very low32.2Very low122 Ų122122.8 Ų122.879%0.79271%0.708SS**THydrogen-bonded Turntrans-67.4-4.6-176.2-14.227.6000114.4
105T28.9Very low32.4Very low122 Ų122116.7 Ų116.775%0.74869%0.692SS**THydrogen-bonded Turntrans-105.2-1.7-174.755.30000114.8D103 A107D103-T105 PolarHBondContact O-N 2.74Å; D103-T105 PolarHBondContact OD1-N 2.72Å; D103-T105 PolarHBondContact OD1-OG1 2.84Å; T105-A107 PolarHBondContact O-N 3.27Å
106A27.6Very low32.9Very low64 Ų64122.7 Ų122.753%0.52971%0.707SS.*  trans-91.115.8179.700000114.5D103 R108D103-A106 PolarHBondContact O-N 2.83Å; A106-R108 PolarHBondContact O-N 3.22Å
107A27.6Very low33.9Very low99 Ų99124.8 Ų124.882%0.81872%0.715SS**  trans-73.743.7174.500000113.3T105T105-A107 PolarHBondContact O-N 3.27Å
108R26.6Very low35.1Very low225 Ų225119.8 Ų119.885%0.84969%0.691SS**SBendtrans-123.586.6166.1-92.3-171.2169.1-173.2-1.9108.9A106 E110A106-R108 PolarHBondContact O-N 3.22Å; R108-E110 PolarHBondContact O-N 3.14Å
109M32.3Very low37Very low174 Ų174119.3 Ų119.386%0.85768%0.677SS**  trans41.268.8140-164169.415700114.7
110E24.5Very low38.7Very low192 Ų192117 Ų11790%0.89766%0.655SS**PPolyproline II helixtrans-93118.3150-71.3-158.7159.900107.6R108R108-E110 PolarHBondContact O-N 3.14Å
111Q28.8Very low40.6Very low159 Ų159114.5 Ų114.574%0.74363%0.634SS**PPolyproline II helixtrans-58.2148.3175.4-71.7173-29.700109.9
112P35.3Very low42.6Very low111 Ų111112 Ų11272%0.72161%0.611SS**PPolyproline II helixtrans-53.4142.8169.623.1-32000109.4G114P112-G114 PolarHBondContact O-N 2.79Å; P112-G114 VanDerWaalsContact O-N 3.16Å
113P34.7Very low44.7Very low90 Ų90107.6 Ų107.658%0.58458%0.581SS**SBendtrans-53128.2174.822.4-30.7000108
114G37.3Very low46.9Very low49 Ų49107 Ų10751%0.50558%0.578SS.*PPolyproline II helixtrans-50.1145.8-165.200000113.3P112 Q116 E117P112-G114 PolarHBondContact O-N 2.79Å; P112-G114 VanDerWaalsContact O-N 3.16Å; G114-Q116 PolarHBondContact O-N 3.04Å; G114-E117 PolarHBondContact O-N 3.35Å; G114-E117 VanDerWaalsContact O-N 3.07Å
115G53.5Low49.1Very low48 Ų48102.7 Ų102.750%0.49555%0.553SS.*Hα-helixtrans-49-28.7-170.500000115.7E117 H119G115-E117 PolarHBondContact O-N 2.56Å; G115-H119 WeakPolarHBondContact O-CB 3.39Å; G115-H119 PolarHBondContact O-N 2.9Å; G115-H119 VanDerWaalsContact O-N 3.13Å; G115-H119 PolarHBondContact O-ND1 2.71Å
116Q56.5Low51.3Low176 Ų17697.1 Ų97.182%0.82252%0.518SS*.Hα-helixtrans-67.5-34.9-179.3-67-178.6-5.800114.6G114 Q120G114-Q116 PolarHBondContact O-N 3.04Å; Q116-Q120 PolarHBondContact O-N 2.93Å; Q116-Q120 VanDerWaalsContact O-N 3.13Å
117E59.1Low53.7Low115 Ų11595.2 Ų95.254%0.53750%0.502SS..Hα-helixtrans-75-40.3-179.7-70.7-174.1176.400111.8G114 G115 Q120 R121G114-E117 PolarHBondContact O-N 3.35Å; G114-E117 VanDerWaalsContact O-N 3.07Å; G115-E117 PolarHBondContact O-N 2.56Å; E117-Q120 PolarHBondContact O-N 3.41Å; E117-R121 WeakPolarHBondContact O-CG 3.22Å; E117-R121 PolarHBondContact O-N 3.24Å
118A61.5Low56.2Low17 Ų1793 Ų9314%0.1448%0.479CS..Hα-helixtrans-63.1-43.1174.800000111.7Q120 R121 W122A118-Q120 VanDerWaalsContact C-N 3.33Å; A118-Q120 PolarHBondContact O-N 2.86Å; A118-R121 PolarHBondContact O-N 3.45Å; A118-W122 PolarHBondContact O-N 2.81Å
119H65.8Low58.8Low93 Ų9382.8 Ų82.843%0.43144%0.44SS..Hα-helixtrans-62.9-38.7175.7-7865.3000112.1G115 R123G115-H119 WeakPolarHBondContact O-CB 3.39Å; G115-H119 PolarHBondContact O-N 2.9Å; G115-H119 VanDerWaalsContact O-N 3.13Å; G115-H119 PolarHBondContact O-ND1 2.71Å; H119-R123 WeakPolarHBondContact O-CG 3.5Å; H119-R123 PolarHBondContact O-N 3.49Å; H119-R123 VanDerWaalsContact O-N 3.13Å
120Q67.7Low61.2Low76 Ų7674.5 Ų74.536%0.35540%0.4SS..Hα-helixtrans-65.9-45.6176.2-17557.439.600111.7Q116 E117 A118 W122 R123 D124Q116-Q120 PolarHBondContact O-N 2.93Å; Q116-Q120 VanDerWaalsContact O-N 3.13Å; E117-Q120 PolarHBondContact O-N 3.41Å; A118-Q120 VanDerWaalsContact C-N 3.33Å; A118-Q120 PolarHBondContact O-N 2.86Å; Q120-W122 VanDerWaalsContact C-N 3.33Å; Q120-W122 PolarHBondContact O-N 2.89Å; Q120-R123 PolarHBondContact O-N 2.9Å; Q120-D124 VanDerWaalsContact NE2-CG 3.3Å; Q120-D124 PolarHBondContact NE2-OD1 3.32Å; Q120-D124 PolarHBondContact NE2-OD2 2.87Å; Q120-D124 PolarHBondContact O-N 3.49Å
121R68.9Low64.2Low112 Ų11268.8 Ų68.842%0.42338%0.375SS..Hα-helixtrans-59-43176.6-72.1177.7-174179.33.9112.3E117 A118 R123 D124 A125E117-R121 WeakPolarHBondContact O-CG 3.22Å; E117-R121 PolarHBondContact O-N 3.24Å; A118-R121 PolarHBondContact O-N 3.45Å; R121-R123 PolarHBondContact O-N 3Å; R121-D124 PolarHBondContact O-N 3.4Å; R121-A125 WeakPolarHBondContact O-CB 3.44Å; R121-A125 PolarHBondContact O-N 2.9Å
122W71.9Confident66.9Low39 Ų3961.4 Ų61.415%0.14834%0.341CS..Hα-helixtrans-59.9-45175.7177.593.8000111.9A118 Q120 D124 A125 M126 I157 S168 V172A118-W122 PolarHBondContact O-N 2.81Å; Q120-W122 VanDerWaalsContact C-N 3.33Å; Q120-W122 PolarHBondContact O-N 2.89Å; W122-D124 PolarHBondContact O-N 3.23Å; W122-A125 PolarHBondContact O-N 3.47Å; W122-M126 HydrophobicContact CH2-CB 4.49Å; W122-M126 HydrophobicContact CH2-CE 4.12Å; W122-M126 HydrophobicContact CH2-CG 4.33Å; W122-M126 HydrophobicContact CZ2-CE 3.49Å; W122-M126 VanDerWaalsContact CZ2-CE 3.49Å; W122-M126 WeakPolarHBondContact O-CB 3.37Å; W122-M126 PolarHBondContact O-N 2.74Å; W122-I157 PolarHBondContact NE1-O 3.48Å; W122-S168 WeakPolarHBondContact CH2-O 3.47Å; W122-V172 HydrophobicContact CH2-CG2 4.45Å; W122-V172 HydrophobicContact CZ3-CG2 4.06Å
123R72.3Confident69.5Low83 Ų8356.2 Ų56.231%0.31331%0.307SS..Hα-helixtrans-62-43.7178.5-74.4-168.2-67.4-159.5-1.6112.5H119 Q120 R121 M126 A127 Q171 V172H119-R123 WeakPolarHBondContact O-CG 3.5Å; H119-R123 PolarHBondContact O-N 3.49Å; H119-R123 VanDerWaalsContact O-N 3.13Å; Q120-R123 PolarHBondContact O-N 2.9Å; R121-R123 PolarHBondContact O-N 3Å; R123-M126 PolarHBondContact O-N 3.43Å; R123-A127 WeakPolarHBondContact O-CB 3.27Å; R123-A127 PolarHBondContact O-N 3.22Å; R123-Q171 WeakPolarHBondContact CD-O 3.33Å; R123-V172 HydrophobicContact CG-CG2 4.47Å
124D74.6Confident72.1Confident82 Ų8252.8 Ų52.844%0.43928%0.283SS..Hα-helixtrans-69.1-37.7-179.4-65.2-27.5000111.3Q120 R121 W122 A127 T128Q120-D124 VanDerWaalsContact NE2-CG 3.3Å; Q120-D124 PolarHBondContact NE2-OD1 3.32Å; Q120-D124 PolarHBondContact NE2-OD2 2.87Å; Q120-D124 PolarHBondContact O-N 3.49Å; R121-D124 PolarHBondContact O-N 3.4Å; W122-D124 PolarHBondContact O-N 3.23Å; D124-A127 PolarHBondContact O-N 2.96Å; D124-T128 WeakPolarHBondContact O-CB 3.38Å; D124-T128 PolarHBondContact O-N 2.78Å; D124-T128 PolarHBondContact O-OG1 3.43Å
125A75.1Confident74.7Confident31 Ų3151.7 Ų51.726%0.25627%0.268SS..Hα-helixtrans-62.9-45.8171.900000111.8V93 R121 W122 A127 T128 Y129V93-A125 HydrophobicContact CG1-CB 4.25Å; V93-A125 HydrophobicContact CG2-CB 3.74Å; R121-A125 WeakPolarHBondContact O-CB 3.44Å; R121-A125 PolarHBondContact O-N 2.9Å; W122-A125 PolarHBondContact O-N 3.47Å; A125-A127 PolarHBondContact O-N 2.95Å; A125-T128 PolarHBondContact O-N 2.91Å; A125-Y129 WeakPolarHBondContact O-CB 3.47Å; A125-Y129 PolarHBondContact O-N 2.89Å
126M75.3Confident76.6Confident5 Ų549.4 Ų49.43%0.02524%0.244CC..Hα-helixtrans-63.5-40.1177.5-173.761.971.100112.1W122 R123 Y129 L130 I157 V172 L205W122-M126 HydrophobicContact CH2-CB 4.49Å; W122-M126 HydrophobicContact CH2-CE 4.12Å; W122-M126 HydrophobicContact CH2-CG 4.33Å; W122-M126 HydrophobicContact CZ2-CE 3.49Å; W122-M126 VanDerWaalsContact CZ2-CE 3.49Å; W122-M126 WeakPolarHBondContact O-CB 3.37Å; W122-M126 PolarHBondContact O-N 2.74Å; R123-M126 PolarHBondContact O-N 3.43Å; M126-Y129 WeakPolarHBondContact O-CB 3.39Å; M126-Y129 PolarHBondContact O-N 3.32Å; M126-Y129 HydrophobicContact SD-CD1 3.7Å; M126-Y129 HydrophobicContact SD-CE1 4.26Å; M126-L130 WeakPolarHBondContact O-CG 3.45Å; M126-L130 PolarHBondContact O-N 2.75Å; M126-I157 HydrophobicContact CE-CG2 3.4Å; M126-I157 VanDerWaalsContact CE-CG2 3.4Å; M126-V172 HydrophobicContact CB-CG2 4.05Å; M126-V172 HydrophobicContact CG-CG2 3.88Å; M126-L205 HydrophobicContact CE-CD2 3.88Å; M126-L205 HydrophobicContact SD-CD2 4.03Å
127A78.7Confident78.4Confident23 Ų2341 Ų4119%0.1921%0.205CC..Hα-helixtrans-62-45.8175.200000111.7R123 D124 A125 Y129 L130 D131 V172R123-A127 WeakPolarHBondContact O-CB 3.27Å; R123-A127 PolarHBondContact O-N 3.22Å; D124-A127 PolarHBondContact O-N 2.96Å; A125-A127 PolarHBondContact O-N 2.95Å; A127-Y129 VanDerWaalsContact C-N 3.35Å; A127-L130 PolarHBondContact O-N 2.93Å; A127-D131 PolarHBondContact O-N 2.93Å; A127-D131 VanDerWaalsContact O-N 3.12Å; A127-V172 HydrophobicContact CB-CG1 3.91Å
128T80.4Confident80Confident52 Ų5238.4 Ų38.432%0.31920%0.197SC..Hα-helixtrans-62.1-43.3177.4-56.50000111.1D124 A125 L130 D131 Q132D124-T128 WeakPolarHBondContact O-CB 3.38Å; D124-T128 PolarHBondContact O-N 2.78Å; D124-T128 PolarHBondContact O-OG1 3.43Å; A125-T128 PolarHBondContact O-N 2.91Å; T128-L130 PolarHBondContact O-N 2.93Å; T128-D131 PolarHBondContact O-N 3.2Å; T128-Q132 HydrophobicContact CG2-CG 4.42Å; T128-Q132 WeakPolarHBondContact O-CB 3.48Å; T128-Q132 VanDerWaalsContact O-CG 3.32Å; T128-Q132 WeakPolarHBondContact O-CG 3.43Å; T128-Q132 PolarHBondContact O-N 3.5Å
129Y80.9Confident81.5Confident11 Ų1138.8 Ų38.84%0.04320%0.202CC..Hα-helixtrans-55.8-51.6174.4159.6-105.6000111.9I56 L90 A125 M126 A127 D131 Q132 V133 M204I56-Y129 HydrophobicContact CD1-CD2 3.89Å; I56-Y129 HydrophobicContact CD1-CE2 4.01Å; L90-Y129 HydrophobicContact CD1-CD2 4.43Å; L90-Y129 HydrophobicContact CD1-CE2 3.83Å; L90-Y129 HydrophobicContact CD2-CD2 3.45Å; L90-Y129 VanDerWaalsContact CD2-CD2 3.45Å; L90-Y129 HydrophobicContact CD2-CE2 3.16Å; L90-Y129 HydrophobicContact CD2-CG 4.37Å; L90-Y129 HydrophobicContact CG-CD2 3.85Å; L90-Y129 HydrophobicContact CG-CE2 3.66Å; A125-Y129 WeakPolarHBondContact O-CB 3.47Å; A125-Y129 PolarHBondContact O-N 2.89Å; M126-Y129 WeakPolarHBondContact O-CB 3.39Å; M126-Y129 PolarHBondContact O-N 3.32Å; M126-Y129 HydrophobicContact SD-CD1 3.7Å; M126-Y129 HydrophobicContact SD-CE1 4.26Å; A127-Y129 VanDerWaalsContact C-N 3.35Å; Y129-D131 VanDerWaalsContact C-N 3.28Å; Y129-D131 PolarHBondContact O-N 3.29Å; Y129-Q132 PolarHBondContact O-N 2.68Å; Y129-V133 HydrophobicContact CD2-CG2 3.73Å; Y129-V133 HydrophobicContact CE1-CG2 4.47Å; Y129-V133 HydrophobicContact CE2-CB 4.49Å; Y129-V133 HydrophobicContact CE2-CG2 3.2Å; Y129-V133 WeakPolarHBondContact O-CG2 3.46Å; Y129-V133 PolarHBondContact O-N 2.82Å; Y129-M204 HydrophobicContact CE2-CE 4.28Å; Y129-M204 VanDerWaalsContact OH-CE 3.24Å; Y129-M204 WeakPolarHBondContact OH-CE 3.43Å
130L83.1Confident82.8Confident1 Ų134.3 Ų34.31%0.00518%0.182CC..Hα-helixtrans-60.1-39.7-179.8-71.4173.2000111.7M126 A127 T128 L134 L169 K178 I179M126-L130 WeakPolarHBondContact O-CG 3.45Å; M126-L130 PolarHBondContact O-N 2.75Å; A127-L130 PolarHBondContact O-N 2.93Å; T128-L130 PolarHBondContact O-N 2.93Å; L130-L134 WeakPolarHBondContact O-CB 3.31Å; L130-L134 VanDerWaalsContact O-CG 3.25Å; L130-L134 WeakPolarHBondContact O-CG 3.47Å; L130-L134 PolarHBondContact O-N 2.97Å; L130-L169 HydrophobicContact CD1-CD2 4.45Å; L130-K178 HydrophobicContact CB-CB 4.17Å; L130-K178 HydrophobicContact CB-CD 3.93Å; L130-K178 HydrophobicContact CD1-CB 4.18Å; L130-K178 HydrophobicContact CD1-CD 4.45Å; L130-I179 HydrophobicContact CD2-CD1 4.18Å
131D86.4Confident83.9Confident72 Ų7235.9 Ų35.939%0.38518%0.184SC..Hα-helixtrans-66.6-41.9176.7-73-30.5000112.5A127 T128 Y129 L134 C135 K178A127-D131 PolarHBondContact O-N 2.93Å; A127-D131 VanDerWaalsContact O-N 3.12Å; T128-D131 PolarHBondContact O-N 3.2Å; Y129-D131 VanDerWaalsContact C-N 3.28Å; Y129-D131 PolarHBondContact O-N 3.29Å; D131-L134 PolarHBondContact O-N 2.76Å; D131-C135 WeakPolarHBondContact O-CB 3.36Å; D131-C135 PolarHBondContact O-N 3.47Å; D131-K178 WeakPolarHBondContact OD1-CE 3.46Å; D131-K178 IonicContact OD1-NZ 2.85Å; D131-K178 PolarHBondContact OD1-NZ 3.33Å; D131-K178 IonicContact OD2-NZ 3.68Å; D131-K178 PolarHBondContact OD2-NZ 3.12Å
132Q87Confident84.8Confident4 Ų435.6 Ų35.62%0.01919%0.191CC..Hα-helixtrans-65.1-42.7176.8-72.2177.3-20.900111.5I56 L72 T128 Y129 C135 V136I56-Q132 HydrophobicContact CB-CB 4.21Å; I56-Q132 HydrophobicContact CD1-CB 4.42Å; I56-Q132 HydrophobicContact CG2-CB 4.1Å; L72-Q132 HydrophobicContact CD2-CB 3.66Å; L72-Q132 HydrophobicContact CD2-CG 3.85Å; T128-Q132 HydrophobicContact CG2-CG 4.42Å; T128-Q132 WeakPolarHBondContact O-CB 3.48Å; T128-Q132 VanDerWaalsContact O-CG 3.32Å; T128-Q132 WeakPolarHBondContact O-CG 3.43Å; T128-Q132 PolarHBondContact O-N 3.5Å; Y129-Q132 PolarHBondContact O-N 2.68Å; Q132-C135 WeakPolarHBondContact O-CB 3.4Å; Q132-C135 PolarHBondContact O-N 3.43Å; Q132-V136 WeakPolarHBondContact O-CG2 3.39Å; Q132-V136 PolarHBondContact O-N 3.34Å
133V88.2Confident85.7Confident1 Ų133.9 Ų33.91%0.00619%0.185CC..Hα-helixtrans-64.5-43.9175.8172.40000111.6I56 L88 Y129 C135 V136 F137 V182 M204I56-V133 HydrophobicContact CD1-CG2 3.57Å; L88-V133 HydrophobicContact CD2-CG2 4.28Å; Y129-V133 HydrophobicContact CD2-CG2 3.73Å; Y129-V133 HydrophobicContact CE1-CG2 4.47Å; Y129-V133 HydrophobicContact CE2-CB 4.49Å; Y129-V133 HydrophobicContact CE2-CG2 3.2Å; Y129-V133 WeakPolarHBondContact O-CG2 3.46Å; Y129-V133 PolarHBondContact O-N 2.82Å; V133-C135 VanDerWaalsContact C-N 3.31Å; V133-C135 PolarHBondContact O-N 2.83Å; V133-V136 PolarHBondContact O-N 2.8Å; V133-F137 HydrophobicContact CG1-CD2 3.49Å; V133-F137 VanDerWaalsContact CG1-CD2 3.49Å; V133-F137 HydrophobicContact CG1-CE2 3.53Å; V133-F137 WeakPolarHBondContact O-CD2 3.47Å; V133-F137 PolarHBondContact O-N 3.18Å; V133-V182 HydrophobicContact CG1-CG1 3.71Å; V133-V182 HydrophobicContact CG1-CG2 3.89Å; V133-M204 HydrophobicContact CG2-CE 4.38Å
134L90.4Very high86.6Confident18 Ų1835.8 Ų35.89%0.09419%0.192CC..Hα-helixtrans-58.3-43.5174.1-80.5170.8000111.8L130 D131 V136 F137 T138 K178 E181 V182 L185L130-L134 WeakPolarHBondContact O-CB 3.31Å; L130-L134 VanDerWaalsContact O-CG 3.25Å; L130-L134 WeakPolarHBondContact O-CG 3.47Å; L130-L134 PolarHBondContact O-N 2.97Å; D131-L134 PolarHBondContact O-N 2.76Å; L134-V136 PolarHBondContact O-N 3.44Å; L134-F137 PolarHBondContact O-N 3.05Å; L134-T138 VanDerWaalsContact O-CB 3.22Å; L134-T138 WeakPolarHBondContact O-CB 3.35Å; L134-T138 PolarHBondContact O-N 3.31Å; L134-T138 PolarHBondContact O-OG1 3.06Å; L134-K178 HydrophobicContact CD1-CB 3.82Å; L134-K178 HydrophobicContact CD1-CD 4.13Å; L134-K178 HydrophobicContact CD1-CG 3.8Å; L134-E181 HydrophobicContact CD2-CB 3.9Å; L134-E181 HydrophobicContact CD2-CG 3.7Å; L134-V182 HydrophobicContact CD2-CB 4.4Å; L134-V182 HydrophobicContact CD2-CG2 3.43Å; L134-V182 VanDerWaalsContact CD2-CG2 3.43Å; L134-V182 HydrophobicContact CG-CG2 3.58Å; L134-L185 HydrophobicContact CD2-CD1 4.12Å
135C92.4Very high87.3Confident26 Ų2635.3 Ų35.318%0.17619%0.189CC..Hα-helixtrans-59.1-46.3176.3-179.50000111.5L72 E73 D131 Q132 V133 G139L72-C135 HydrophobicContact CD2-CB 4.32Å; E73-C135 VanDerWaalsContact CG-SG 3.55Å; D131-C135 WeakPolarHBondContact O-CB 3.36Å; D131-C135 PolarHBondContact O-N 3.47Å; Q132-C135 WeakPolarHBondContact O-CB 3.4Å; Q132-C135 PolarHBondContact O-N 3.43Å; V133-C135 VanDerWaalsContact C-N 3.31Å; V133-C135 PolarHBondContact O-N 2.83Å; C135-G139 PolarHBondContact O-N 3.26Å
136V93.1Very high88.2Confident0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-59.9-56177.2172.90000111.1L54 L72 M76 L86 L88 Q132 V133 L134 T138 G139 I140L54-V136 HydrophobicContact CD1-CG2 4.02Å; L72-V136 HydrophobicContact CD1-CG2 3.82Å; L72-V136 HydrophobicContact CD2-CG2 4.17Å; L72-V136 HydrophobicContact CG-CG2 4.31Å; M76-V136 HydrophobicContact CG-CG2 4.4Å; M76-V136 HydrophobicContact SD-CB 4.23Å; M76-V136 HydrophobicContact SD-CG1 4.12Å; M76-V136 HydrophobicContact SD-CG2 4.18Å; L86-V136 HydrophobicContact CD2-CG1 3.78Å; L88-V136 HydrophobicContact CD1-CG2 4.19Å; L88-V136 HydrophobicContact CD2-CG1 4.48Å; Q132-V136 WeakPolarHBondContact O-CG2 3.39Å; Q132-V136 PolarHBondContact O-N 3.34Å; V133-V136 PolarHBondContact O-N 2.8Å; L134-V136 PolarHBondContact O-N 3.44Å; V136-T138 VanDerWaalsContact C-N 3.32Å; V136-T138 PolarHBondContact O-N 2.88Å; V136-G139 WeakPolarHBondContact O-CA 3.32Å; V136-G139 PolarHBondContact O-N 3.36Å; V136-I140 HydrophobicContact CG1-CD1 4.37Å; V136-I140 WeakPolarHBondContact O-CG1 3.24Å; V136-I140 PolarHBondContact O-N 2.89Å; V136-I140 VanDerWaalsContact O-N 3.09Å
137F93.1Very high89.2Confident1 Ų135.5 Ų35.50%0.00419%0.185CC..Hα-helixtrans-62.1-38.3-177.4-82.5-63.7000113V133 L134 G139 I140 R141 L151 V182 L185 F186 V207V133-F137 HydrophobicContact CG1-CD2 3.49Å; V133-F137 VanDerWaalsContact CG1-CD2 3.49Å; V133-F137 HydrophobicContact CG1-CE2 3.53Å; V133-F137 WeakPolarHBondContact O-CD2 3.47Å; V133-F137 PolarHBondContact O-N 3.18Å; L134-F137 PolarHBondContact O-N 3.05Å; F137-G139 VanDerWaalsContact C-N 3.29Å; F137-G139 PolarHBondContact O-N 3.34Å; F137-I140 HydrophobicContact CD1-CD1 4.05Å; F137-I140 HydrophobicContact CD1-CG1 4.37Å; F137-I140 HydrophobicContact CE1-CD1 4.35Å; F137-I140 PolarHBondContact O-N 2.76Å; F137-R141 PolarHBondContact O-N 3.46Å; F137-L151 HydrophobicContact CE1-CD1 4.45Å; F137-L151 HydrophobicContact CE2-CD1 4.4Å; F137-L151 HydrophobicContact CZ-CD1 3.6Å; F137-V182 HydrophobicContact CD2-CG1 3.86Å; F137-V182 HydrophobicContact CE2-CG1 3.82Å; F137-L185 HydrophobicContact CB-CB 3.87Å; F137-L185 HydrophobicContact CB-CD1 3.99Å; F137-F186 HydrophobicContact CE1-CB 4.24Å; F137-F186 AromaticContact CE1-CD2 3.64Å; F137-F186 HydrophobicContact CE1-CD2 3.64Å; F137-F186 HydrophobicContact CE1-CG 4.43Å; F137-F186 HydrophobicContact CZ-CB 4.36Å; F137-F186 AromaticContact CZ-CD2 3.78Å; F137-F186 HydrophobicContact CZ-CD2 3.78Å; F137-F186 HydrophobicContact CZ-CG 4.47Å; F137-V207 HydrophobicContact CE2-CG1 4.04Å; F137-V207 HydrophobicContact CZ-CG1 3.99Å
138T93.8Very high89.9Confident60 Ų6036.7 Ų36.737%0.36819%0.186SC..Hα-helixtrans-62.1-39.1174-59.60000111.6L134 V136 R141L134-T138 VanDerWaalsContact O-CB 3.22Å; L134-T138 WeakPolarHBondContact O-CB 3.35Å; L134-T138 PolarHBondContact O-N 3.31Å; L134-T138 PolarHBondContact O-OG1 3.06Å; V136-T138 VanDerWaalsContact C-N 3.32Å; V136-T138 PolarHBondContact O-N 2.88Å; T138-R141 WeakPolarHBondContact O-CG 3.35Å
139G92.4Very high90.6Very high24 Ų2434.2 Ų34.225%0.24717%0.171CC..Hα-helixtrans-66.2-34.5177.600000114.2G80 C135 V136 F137G80-G139 CarbonylContact C-O 3.55Å; C135-G139 PolarHBondContact O-N 3.26Å; V136-G139 WeakPolarHBondContact O-CA 3.32Å; V136-G139 PolarHBondContact O-N 3.36Å; F137-G139 VanDerWaalsContact C-N 3.29Å; F137-G139 PolarHBondContact O-N 3.34Å
140I93.8Very high91.1Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-101.1-6-175.765.4175.4000114.7M76 V83 L86 V136 F137 N142 N143 L149 L189M76-I140 HydrophobicContact SD-CG2 4.3Å; V83-I140 HydrophobicContact CG1-CG2 4.39Å; L86-I140 HydrophobicContact CD2-CD1 3.67Å; L86-I140 HydrophobicContact CD2-CG2 4.06Å; V136-I140 HydrophobicContact CG1-CD1 4.37Å; V136-I140 WeakPolarHBondContact O-CG1 3.24Å; V136-I140 PolarHBondContact O-N 2.89Å; V136-I140 VanDerWaalsContact O-N 3.09Å; F137-I140 HydrophobicContact CD1-CD1 4.05Å; F137-I140 HydrophobicContact CD1-CG1 4.37Å; F137-I140 HydrophobicContact CE1-CD1 4.35Å; F137-I140 PolarHBondContact O-N 2.76Å; I140-N142 PolarHBondContact O-N 2.87Å; I140-N143 VanDerWaalsContact O-CB 3.23Å; I140-N143 WeakPolarHBondContact O-CB 3.29Å; I140-N143 PolarHBondContact O-N 2.72Å; I140-L149 HydrophobicContact CD1-CD1 4.39Å; I140-L189 HydrophobicContact CB-CD1 4.09Å; I140-L189 HydrophobicContact CD1-CD1 3.39Å; I140-L189 HydrophobicContact CG1-CD1 3.42Å; I140-L189 VanDerWaalsContact CG1-CD1 3.42Å
141R90.1Very high91.3Very high108 Ų10833.7 Ų33.741%0.40817%0.169SC..THydrogen-bonded Turntrans-49.8-34.1-175.372.4-175.1179171.2-0.9115.1F137 T138 L185F137-R141 PolarHBondContact O-N 3.46Å; T138-R141 WeakPolarHBondContact O-CG 3.35Å; R141-L185 HydrophobicContact CB-CD2 4.45Å
142N88.1Confident91Very high106 Ų10630.5 Ų30.557%0.56715%0.151SC*.THydrogen-bonded Turntrans-97.33.2-177.4-71.4-41.1000113.6I140 R144I140-N142 PolarHBondContact O-N 2.87Å; N142-R144 PolarHBondContact O-N 3.34Å
143N90.9Very high90.3Very high3 Ų330.3 Ų30.32%0.01615%0.151CC..  trans-81.3106.1-175.6-173-15000111.4G80 V83 I140 N145 L146G80-N143 WeakPolarHBondContact O-CB 3.45Å; G80-N143 PolarHBondContact O-ND2 3.27Å; V83-N143 WeakPolarHBondContact CG1-ND2 3.47Å; V83-N143 PolarHBondContact N-ND2 2.94Å; V83-N143 PolarHBondContact O-ND2 2.98Å; I140-N143 VanDerWaalsContact O-CB 3.23Å; I140-N143 WeakPolarHBondContact O-CB 3.29Å; I140-N143 PolarHBondContact O-N 2.72Å; N143-N145 WeakPolarHBondContact OD1-CA 3.25Å; N143-N145 PolarHBondContact OD1-N 2.79Å; N143-L146 PolarHBondContact OD1-N 3.03Å; N143-L146 VanDerWaalsContact OD1-N 3.15Å
144R90.1Very high89Confident123 Ų12330.7 Ų30.746%0.46415%0.153SC..SBendtrans-90.4-6.3178.2-61-177.9177170.4-0.8113.9N142N142-R144 PolarHBondContact O-N 3.34Å
145N90.8Very high87.1Confident72 Ų7230.3 Ų30.339%0.38515%0.151SC..  trans-99.2-0.4-177.2-62.1-49.6000112.6N143 Q147N143-N145 WeakPolarHBondContact OD1-CA 3.25Å; N143-N145 PolarHBondContact OD1-N 2.79Å; N145-Q147 WeakPolarHBondContact O-CG 3.32Å; N145-Q147 PolarHBondContact O-N 2.97Å
146L94Very high84.9Confident3 Ų332 Ų322%0.01616%0.156CC..  trans-63.1124177.5-163.471.1000109.9V83 L86 N143 L149 L189 Q195 L196V83-L146 HydrophobicContact CG1-CD1 4.19Å; L86-L146 HydrophobicContact CB-CD1 4.09Å; N143-L146 PolarHBondContact OD1-N 3.03Å; N143-L146 VanDerWaalsContact OD1-N 3.15Å; L146-L149 HydrophobicContact CD2-CB 4.02Å; L146-L149 HydrophobicContact CD2-CD1 4.29Å; L146-L149 HydrophobicContact CD2-CD2 4.49Å; L146-L189 HydrophobicContact CD2-CD1 4.31Å; L146-L189 HydrophobicContact CD2-CD2 4.45Å; L146-Q195 CarbonylContact O-C 3.58Å; L146-L196 PolarHBondContact O-N 2.8Å
147Q95.1Very high82.8Confident38 Ų3833.5 Ų33.518%0.17816%0.163CC..  trans-107.8-33.6-179.4-63.2-178.52.700111.6R84 N145 Q195 R197 W198R84-Q147 WeakPolarHBondContact O-CA 3.34Å; R84-Q147 PolarHBondContact O-N 3.02Å; N145-Q147 WeakPolarHBondContact O-CG 3.32Å; N145-Q147 PolarHBondContact O-N 2.97Å; Q147-Q195 WeakPolarHBondContact CA-O 3.48Å; Q147-Q195 HydrophobicContact CG-CB 4.02Å; Q147-R197 PolarHBondContact O-N 2.92Å; Q147-W198 PolarHBondContact O-N 2.85Å
148K95Very high80.4Confident47 Ų4734.1 Ų34.120%0.20417%0.166CC..EExtended strand (participates in β ladder)trans-132.5124.3178.5176.6169.1-179.7-170.30110.9R84 E85 L86 S150 W198R84-K148 PolarHBondContact O-N 2.8Å; E85-K148 WeakPolarHBondContact CA-O 3.38Å; E85-K148 HydrophobicContact CB-CB 4Å; E85-K148 HydrophobicContact CG-CB 3.9Å; L86-K148 PolarHBondContact N-O 3.17Å; K148-S150 WeakPolarHBondContact CE-OG 3.18Å; K148-W198 WeakPolarHBondContact CA-O 3.49Å; K148-W198 HydrophobicContact CB-CB 3.88Å; K148-W198 HydrophobicContact CB-CG 4.38Å; K148-W198 HydrophobicContact CD-CB 4.29Å; K148-W198 HydrophobicContact CD-CD2 4.33Å; K148-W198 HydrophobicContact CD-CG 3.98Å; K148-W198 HydrophobicContact CG-CB 3.75Å; K148-W198 HydrophobicContact CG-CG 3.69Å
149L94.1Very high78Confident0 Ų035 Ų350%017%0.167CC..EExtended strand (participates in β ladder)trans-120.1123.7168.9-176.759.2000108L86 I140 L146 L151 F186 L189 L196 W198 L199 S200L86-L149 HydrophobicContact CB-CD1 4.23Å; L86-L149 HydrophobicContact CD2-CD1 3.96Å; L86-L149 HydrophobicContact CG-CD1 4.35Å; I140-L149 HydrophobicContact CD1-CD1 4.39Å; L146-L149 HydrophobicContact CD2-CB 4.02Å; L146-L149 HydrophobicContact CD2-CD1 4.29Å; L146-L149 HydrophobicContact CD2-CD2 4.49Å; L149-L151 HydrophobicContact CD1-CD2 3.83Å; L149-L151 HydrophobicContact CD1-CG 4.26Å; L149-L151 HydrophobicContact CG-CD2 4.34Å; L149-L151 HydrophobicContact CG-CG 4.23Å; L149-F186 HydrophobicContact CD2-CE2 4.07Å; L149-L189 HydrophobicContact CD2-CD2 3.86Å; L149-L196 HydrophobicContact CB-CD1 4.19Å; L149-W198 PolarHBondContact N-O 3.15Å; L149-L199 HydrophobicContact CB-CD1 4.22Å; L149-L199 HydrophobicContact CD2-CD1 4.03Å; L149-L199 HydrophobicContact CG-CD1 4.35Å; L149-L199 WeakPolarHBondContact O-CA 3.47Å; L149-S200 PolarHBondContact O-N 3.39Å
150S91.3Very high75.4Confident0 Ų039.1 Ų39.10%018%0.179CC..EExtended strand (participates in β ladder)trans-133.4118.8177.4-57.40000109.3L86 Q87 L88 K148 Y152 S200L86-S150 PolarHBondContact O-N 3.29Å; Q87-S150 CarbonylContact C-O 3.59Å; Q87-S150 VanDerWaalsContact CA-O 3.31Å; Q87-S150 WeakPolarHBondContact CA-O 3.42Å; L88-S150 PolarHBondContact N-O 3.26Å; K148-S150 WeakPolarHBondContact CE-OG 3.18Å; S150-Y152 VanDerWaalsContact CB-CE2 3.48Å; S150-S200 CarbonylContact C-O 3.53Å; S150-S200 WeakPolarHBondContact CA-O 3.24Å
151L87.6Confident72.7Confident1 Ų145.5 Ų45.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-121.4119.2-178.3-51.6176.5000107.7L88 F137 L149 F186 S200 C201 S202 M204 V207L88-L151 HydrophobicContact CB-CD2 3.65Å; L88-L151 HydrophobicContact CD2-CD2 3.97Å; L88-L151 HydrophobicContact CG-CD2 4.46Å; F137-L151 HydrophobicContact CE1-CD1 4.45Å; F137-L151 HydrophobicContact CE2-CD1 4.4Å; F137-L151 HydrophobicContact CZ-CD1 3.6Å; L149-L151 HydrophobicContact CD1-CD2 3.83Å; L149-L151 HydrophobicContact CD1-CG 4.26Å; L149-L151 HydrophobicContact CG-CD2 4.34Å; L149-L151 HydrophobicContact CG-CG 4.23Å; L151-F186 HydrophobicContact CD1-CE2 4.46Å; L151-S200 PolarHBondContact N-O 2.96Å; L151-C201 WeakPolarHBondContact O-CA 3.39Å; L151-S202 PolarHBondContact O-N 2.98Å; L151-M204 HydrophobicContact CB-CE 4.15Å; L151-M204 HydrophobicContact CB-CG 3.66Å; L151-M204 HydrophobicContact CB-SD 3.96Å; L151-V207 HydrophobicContact CD1-CG1 4.42Å
152Y80.7Confident70.2Confident5 Ų543.8 Ų43.82%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-126.3110.9-176.2-57-69.6000109.4Q87 L88 L90 S150 H485 C489 S492Q87-Y152 HydrophobicContact CG-CD2 4.04Å; Q87-Y152 HydrophobicContact CG-CE2 3.93Å; L88-Y152 PolarHBondContact O-N 3.38Å; L90-Y152 WeakPolarHBondContact CD1-O 3.48Å; L90-Y152 PolarHBondContact N-O 2.68Å; S150-Y152 VanDerWaalsContact CB-CE2 3.48Å; Y152-H485 WeakPolarHBondContact CB-NE2 3.47Å; Y152-C489 HydrophobicContact CD1-CB 4.44Å; Y152-C489 WeakPolarHBondContact CD1-SG 3.47Å; Y152-C489 HydrophobicContact CE1-CB 4.33Å; Y152-S492 VanDerWaalsContact CE1-OG 3.27Å; Y152-S492 WeakPolarHBondContact CE1-OG 3.27Å; Y152-S492 PolarHBondContact OH-OG 2.82Å
153G72.3Confident67.7Low1 Ų145.7 Ų45.71%0.0124%0.235CC..  trans-87.8149.8172.100000111.7S202 F203 H485G153-S202 PolarHBondContact N-O 3.24Å; G153-F203 WeakPolarHBondContact CA-O 3.48Å; G153-H485 PolarHBondContact O-CD2 3.42Å; G153-H485 VanDerWaalsContact O-CD2 3.32Å
154D61.1Low65.5Low8 Ų847.2 Ų47.24%0.04324%0.242CC..  trans-81.1130.8170.9-176.29.2000110.6P92 F156P92-D154 WeakPolarHBondContact CA-OD2 3.38Å; P92-D154 VanDerWaalsContact CB-OD2 3.24Å; P92-D154 WeakPolarHBondContact CB-OD2 3.41Å; D154-F156 VanDerWaalsContact C-N 3.3Å; D154-F156 PolarHBondContact O-N 3.36Å; D154-F156 PolarHBondContact OD1-N 2.92Å
155T49.7Very low63.4Low10 Ų1045.5 Ų45.56%0.06124%0.243CC..G310 helixtrans-61-25.4172.227.80000114.5L158 F203 T481 F484T155-L158 PolarHBondContact O-N 2.89Å; T155-F203 HydrophobicContact CG2-CD1 3.44Å; T155-F203 VanDerWaalsContact CG2-CD1 3.44Å; T155-F203 HydrophobicContact CG2-CE1 3.68Å; T155-F203 HydrophobicContact CG2-CG 4.01Å; T155-F203 HydrophobicContact CG2-CZ 4.44Å; T155-T481 WeakPolarHBondContact OG1-CG2 3.49Å; T155-F484 HydrophobicContact CG2-CD1 4.24Å; T155-F484 HydrophobicContact CG2-CE1 3.76Å
156F46.6Very low61.4Low62 Ų6246.8 Ų46.827%0.27225%0.253SS..G310 helixtrans-75.5-26.2-176.3-113-69.9000115.2D154 L158 Q159 E479 T481D154-F156 VanDerWaalsContact C-N 3.3Å; D154-F156 PolarHBondContact O-N 3.36Å; D154-F156 PolarHBondContact OD1-N 2.92Å; F156-L158 PolarHBondContact O-N 2.71Å; F156-Q159 HydrophobicContact CD1-CB 4.34Å; F156-Q159 PolarHBondContact O-N 3.36Å; F156-E479 HydrophobicContact CE2-CB 4.49Å; F156-T481 HydrophobicContact CB-CG2 4.15Å; F156-T481 VanDerWaalsContact CD2-CB 3.44Å; F156-T481 HydrophobicContact CD2-CG2 3.01Å; F156-T481 WeakPolarHBondContact CD2-OG1 3.49Å; F156-T481 HydrophobicContact CE2-CG2 3.38Å; F156-T481 WeakPolarHBondContact CE2-OG1 3.19Å; F156-T481 HydrophobicContact CG-CG2 3.86Å
157I47.7Very low59.3Low31 Ų3148.9 Ų48.916%0.15927%0.268CS..G310 helixtrans-59.6-12.9176-63.7-179.6000110.9V93 W122 M126V93-I157 HydrophobicContact CG2-CD1 4.07Å; V93-I157 HydrophobicContact CG2-CG1 4Å; W122-I157 PolarHBondContact NE1-O 3.48Å; M126-I157 HydrophobicContact CE-CG2 3.4Å; M126-I157 VanDerWaalsContact CE-CG2 3.4Å
158L44.1Very low57.5Low14 Ų1448.4 Ų48.47%0.07327%0.269CS..G310 helixtrans-116.6-9-170.3-52.9174.4000114.5T155 F156 L164 L205 H232T155-L158 PolarHBondContact O-N 2.89Å; F156-L158 PolarHBondContact O-N 2.71Å; L158-L164 HydrophobicContact CB-CD1 3.9Å; L158-L164 HydrophobicContact CB-CD2 3.95Å; L158-L164 HydrophobicContact CB-CG 4.23Å; L158-L164 HydrophobicContact CD1-CD1 3.92Å; L158-L164 HydrophobicContact CD2-CD1 3.8Å; L158-L164 HydrophobicContact CD2-CD2 3.34Å; L158-L164 HydrophobicContact CD2-CG 4.17Å; L158-L164 HydrophobicContact CG-CD1 4.04Å; L158-L164 HydrophobicContact CG-CD2 4.16Å; L158-L205 HydrophobicContact CD2-CD1 4.26Å; L158-H232 HydrophobicContact CD1-CB 4.41Å
159Q41.8Very low55.9Low79 Ų7947 Ų4737%0.36926%0.264SS..THydrogen-bonded Turntrans-88-0.3-171.6-96.9-174.1-22.900115.5F156 D161 W347F156-Q159 HydrophobicContact CD1-CB 4.34Å; F156-Q159 PolarHBondContact O-N 3.36Å; Q159-D161 PolarHBondContact O-N 3.24Å; Q159-W347 VanDerWaalsContact NE2-CH2 3.35Å
160Q39.2Very low54.3Low111 Ų11153.3 Ų53.352%0.51929%0.293SS..THydrogen-bonded Turntrans-79.5-11.2-172.6-146.9174.41900115.6
161D35.8Very low53Low134 Ų13457.8 Ų57.872%0.71731%0.314SS*.SBendtrans-165.3127.3165.5-87.8-46.4000107Q159 Q163Q159-D161 PolarHBondContact O-N 3.24Å; D161-Q163 PolarHBondContact O-N 2.91Å
162G38.6Very low52.1Low71 Ų7158 Ų5873%0.73232%0.316SS*.SBendtrans-61.427.4-171.200000117.8
163Q36Very low51.7Low147 Ų14766.1 Ų66.169%0.68735%0.353SS*.  trans-13096.8165.5-74.6-170.9-68.900109.8D161 D165D161-Q163 PolarHBondContact O-N 2.91Å; Q163-D165 PolarHBondContact O-N 3.3Å
164L44.2Very low51.8Low34 Ų3472.2 Ų72.218%0.17838%0.382CS..  trans-73.376.4157.2-73173.8000109.5L158L158-L164 HydrophobicContact CB-CD1 3.9Å; L158-L164 HydrophobicContact CB-CD2 3.95Å; L158-L164 HydrophobicContact CB-CG 4.23Å; L158-L164 HydrophobicContact CD1-CD1 3.92Å; L158-L164 HydrophobicContact CD2-CD1 3.8Å; L158-L164 HydrophobicContact CD2-CD2 3.34Å; L158-L164 HydrophobicContact CD2-CG 4.17Å; L158-L164 HydrophobicContact CG-CD1 4.04Å; L158-L164 HydrophobicContact CG-CD2 4.16Å
165D45.8Very low52.5Low87 Ų8771.9 Ų71.947%0.46538%0.38SS..  trans-81.3148.7164.9-97.2-29.7000109.7Q163 S167 S168Q163-D165 PolarHBondContact O-N 3.3Å; D165-S167 WeakPolarHBondContact CB-OG 2.98Å; D165-S167 PolarHBondContact O-N 2.98Å; D165-S167 PolarHBondContact O-OG 3.25Å; D165-S168 PolarHBondContact O-N 2.71Å
166T48.4Very low53.8Low100 Ų10074.7 Ų74.761%0.61340%0.395SS*.THydrogen-bonded Turntrans-45.7-14.8164.153.70000114.1S168 L169 Q170T166-S168 VanDerWaalsContact C-N 3.25Å; T166-S168 PolarHBondContact O-N 3.45Å; T166-L169 PolarHBondContact O-N 3.08Å; T166-Q170 WeakPolarHBondContact O-CG 3.47Å; T166-Q170 PolarHBondContact O-N 2.78Å
167S51.1Low55.7Low46 Ų4678 Ų7832%0.32241%0.409SS..Hα-helixtrans-54.9-32168.861.90000114D165 Q170 Q171D165-S167 WeakPolarHBondContact CB-OG 2.98Å; D165-S167 PolarHBondContact O-N 2.98Å; D165-S167 PolarHBondContact O-OG 3.25Å; S167-Q170 PolarHBondContact O-N 3.47Å; S167-Q171 WeakPolarHBondContact O-CG 3.47Å; S167-Q171 PolarHBondContact O-N 3.07Å
168S57.6Low57.5Low28 Ų2878 Ų7820%0.19641%0.408CS..Hα-helixtrans-72.6-34.6-179.3-56.70000112.4W122 D165 T166 Q171W122-S168 WeakPolarHBondContact CH2-O 3.47Å; D165-S168 PolarHBondContact O-N 2.71Å; T166-S168 VanDerWaalsContact C-N 3.25Å; T166-S168 PolarHBondContact O-N 3.45Å; S168-Q171 PolarHBondContact O-N 3.37Å
169L61.1Low59.4Low19 Ų1977.7 Ų77.710%0.09941%0.406CS..Hα-helixtrans-72.1-34.3174-74.6171.2000112.3L130 T166 Q171 V172 I179 L205L130-L169 HydrophobicContact CD1-CD2 4.45Å; T166-L169 PolarHBondContact O-N 3.08Å; L169-Q171 PolarHBondContact O-N 3.42Å; L169-V172 PolarHBondContact O-N 3.43Å; L169-I179 HydrophobicContact CD1-CG2 4.29Å; L169-L205 HydrophobicContact CD2-CD2 4Å; L169-L205 HydrophobicContact CG-CD2 4.31Å
170Q60.5Low61.6Low131 Ų13177.8 Ų77.861%0.61241%0.41SS*.Hα-helixtrans-63.6-23.5175.3-68.9176-2.900112.7T166 S167 V172T166-Q170 WeakPolarHBondContact O-CG 3.47Å; T166-Q170 PolarHBondContact O-N 2.78Å; S167-Q170 PolarHBondContact O-N 3.47Å; Q170-V172 VanDerWaalsContact C-N 3.31Å
171Q63.9Low64.1Low94 Ų9476.5 Ų76.544%0.43940%0.403SS..THydrogen-bonded Turntrans-79.3-13.6176.4-66.6174.235.600113.1R123 S167 S168 L169R123-Q171 WeakPolarHBondContact CD-O 3.33Å; S167-Q171 WeakPolarHBondContact O-CG 3.47Å; S167-Q171 PolarHBondContact O-N 3.07Å; S168-Q171 PolarHBondContact O-N 3.37Å; L169-Q171 PolarHBondContact O-N 3.42Å
172V68.6Low66.7Low7 Ų770.1 Ų70.14%0.04237%0.369CS..SBendtrans-96.3133.5178.1-179.50000110W122 R123 M126 A127 L169 Q170 Q174 G175W122-V172 HydrophobicContact CH2-CG2 4.45Å; W122-V172 HydrophobicContact CZ3-CG2 4.06Å; R123-V172 HydrophobicContact CG-CG2 4.47Å; M126-V172 HydrophobicContact CB-CG2 4.05Å; M126-V172 HydrophobicContact CG-CG2 3.88Å; A127-V172 HydrophobicContact CB-CG1 3.91Å; L169-V172 PolarHBondContact O-N 3.43Å; Q170-V172 VanDerWaalsContact C-N 3.31Å; V172-Q174 PolarHBondContact O-N 2.96Å; V172-Q174 VanDerWaalsContact O-N 3.11Å; V172-G175 PolarHBondContact O-N 2.97Å
173Q71.3Confident69.2Low174 Ų17468.6 Ų68.681%0.81334%0.343SS*.THydrogen-bonded Turntrans-59.4119.6179.6-67.8-1744.400111.3G175Q173-G175 PolarHBondContact O-N 2.8Å
174Q75.6Confident71.9Confident129 Ų12967.7 Ų67.760%0.60334%0.339SS*.THydrogen-bonded Turntrans58.419.4-176-52.8-176.911.200114.6V172 D176 K177 K178V172-Q174 PolarHBondContact O-N 2.96Å; V172-Q174 VanDerWaalsContact O-N 3.11Å; Q174-D176 PolarHBondContact O-N 3.35Å; Q174-K177 HydrophobicContact CB-CB 4.36Å; Q174-K177 PolarHBondContact O-N 2.87Å; Q174-K178 PolarHBondContact O-N 3.45Å
175G74.1Confident74.2Confident1 Ų166.8 Ų66.81%0.0133%0.334CS..Hα-helixtrans-52.1-51.1-178.600000112.6V172 Q173 K177 K178 I179V172-G175 PolarHBondContact O-N 2.97Å; Q173-G175 PolarHBondContact O-N 2.8Å; G175-K177 VanDerWaalsContact C-N 3.29Å; G175-K177 PolarHBondContact O-N 3.44Å; G175-K178 PolarHBondContact O-N 3.34Å; G175-I179 WeakPolarHBondContact O-CG2 3.4Å; G175-I179 PolarHBondContact O-N 3.36Å
176D78.8Confident76.5Confident69 Ų6962.7 Ų62.737%0.36931%0.312SS..Hα-helixtrans-59.3-37.5177.6-67.1-25.2000113.1Q174 I179 N180Q174-D176 PolarHBondContact O-N 3.35Å; D176-I179 VanDerWaalsContact O-CG2 3.32Å; D176-I179 WeakPolarHBondContact O-CG2 3.23Å; D176-N180 WeakPolarHBondContact O-CB 3.34Å; D176-N180 PolarHBondContact O-N 2.96Å; D176-N180 PolarHBondContact O-ND2 2.87Å
177K85.4Confident78.6Confident132 Ų13260.1 Ų60.157%0.57429%0.294SS*.Hα-helixtrans-70.1-46.3178.4-174-174.4173.1-167.10110.7Q174 G175 N180 E181Q174-K177 HydrophobicContact CB-CB 4.36Å; Q174-K177 PolarHBondContact O-N 2.87Å; G175-K177 VanDerWaalsContact C-N 3.29Å; G175-K177 PolarHBondContact O-N 3.44Å; K177-N180 PolarHBondContact O-N 2.95Å; K177-E181 PolarHBondContact O-N 2.87Å
178K84.8Confident80.6Confident31 Ų3161.5 Ų61.514%0.13530%0.295CS..Hα-helixtrans-62.5-45.4179.9-70.5-173.3-174.4-175.70111.1L130 D131 L134 Q174 G175 N180 E181 V182L130-K178 HydrophobicContact CB-CB 4.17Å; L130-K178 HydrophobicContact CB-CD 3.93Å; L130-K178 HydrophobicContact CD1-CB 4.18Å; L130-K178 HydrophobicContact CD1-CD 4.45Å; D131-K178 WeakPolarHBondContact OD1-CE 3.46Å; D131-K178 IonicContact OD1-NZ 2.85Å; D131-K178 PolarHBondContact OD1-NZ 3.33Å; D131-K178 IonicContact OD2-NZ 3.68Å; D131-K178 PolarHBondContact OD2-NZ 3.12Å; L134-K178 HydrophobicContact CD1-CB 3.82Å; L134-K178 HydrophobicContact CD1-CD 4.13Å; L134-K178 HydrophobicContact CD1-CG 3.8Å; Q174-K178 PolarHBondContact O-N 3.45Å; G175-K178 PolarHBondContact O-N 3.34Å; K178-N180 PolarHBondContact O-N 2.95Å; K178-E181 PolarHBondContact O-N 2.84Å; K178-V182 WeakPolarHBondContact O-CG2 3.44Å; K178-V182 PolarHBondContact O-N 3.37Å
179I84.6Confident82.4Confident8 Ų860.3 Ų60.34%0.04129%0.287CS..Hα-helixtrans-65.7-39.3179.4-167.360.9000112.2L130 L169 G175 D176 E181 V182 Q183 L205 V207L130-I179 HydrophobicContact CD2-CD1 4.18Å; L169-I179 HydrophobicContact CD1-CG2 4.29Å; G175-I179 WeakPolarHBondContact O-CG2 3.4Å; G175-I179 PolarHBondContact O-N 3.36Å; D176-I179 VanDerWaalsContact O-CG2 3.32Å; D176-I179 WeakPolarHBondContact O-CG2 3.23Å; I179-E181 VanDerWaalsContact C-N 3.29Å; I179-E181 PolarHBondContact O-N 3.46Å; I179-V182 HydrophobicContact CD1-CB 4.44Å; I179-V182 WeakPolarHBondContact O-CB 3.41Å; I179-V182 PolarHBondContact O-N 2.87Å; I179-Q183 VanDerWaalsContact O-CG 3.32Å; I179-Q183 WeakPolarHBondContact O-CG 3.27Å; I179-Q183 PolarHBondContact O-N 3.31Å; I179-L205 VanDerWaalsContact CD1-O 3.3Å; I179-L205 WeakPolarHBondContact CD1-O 3.5Å; I179-V207 HydrophobicContact CD1-CG2 4.48Å
180N87.6Confident83.9Confident81 Ų8159.4 Ų59.443%0.43328%0.282SS..Hα-helixtrans-62.4-38.8175-76.4-37.9000111.6D176 K177 K178 Q183 Q184D176-N180 WeakPolarHBondContact O-CB 3.34Å; D176-N180 PolarHBondContact O-N 2.96Å; D176-N180 PolarHBondContact O-ND2 2.87Å; K177-N180 PolarHBondContact O-N 2.95Å; K178-N180 PolarHBondContact O-N 2.95Å; N180-Q183 PolarHBondContact O-N 3.44Å; N180-Q184 WeakPolarHBondContact O-CG 3.34Å; N180-Q184 PolarHBondContact O-N 2.98Å
181E91.4Very high85.4Confident83 Ų8355.9 Ų55.939%0.38827%0.272SS..Hα-helixtrans-66.7-41.7174.5-174.6173.2178.100111.7L134 K177 K178 I179 Q183 Q184 L185L134-E181 HydrophobicContact CD2-CB 3.9Å; L134-E181 HydrophobicContact CD2-CG 3.7Å; K177-E181 PolarHBondContact O-N 2.87Å; K178-E181 PolarHBondContact O-N 2.84Å; I179-E181 VanDerWaalsContact C-N 3.29Å; I179-E181 PolarHBondContact O-N 3.46Å; E181-Q183 PolarHBondContact O-N 2.93Å; E181-Q184 PolarHBondContact O-N 3.26Å; E181-L185 HydrophobicContact CG-CD1 4.29Å; E181-L185 WeakPolarHBondContact O-CG 3.16Å; E181-L185 PolarHBondContact O-N 3.24Å
182V90.6Very high86.7Confident1 Ų153.6 Ų53.61%0.00626%0.263CS..Hα-helixtrans-57.8-47.6172.4171.60000111.2V133 L134 F137 K178 I179 Q184 L185 F186 V207V133-V182 HydrophobicContact CG1-CG1 3.71Å; V133-V182 HydrophobicContact CG1-CG2 3.89Å; L134-V182 HydrophobicContact CD2-CB 4.4Å; L134-V182 HydrophobicContact CD2-CG2 3.43Å; L134-V182 VanDerWaalsContact CD2-CG2 3.43Å; L134-V182 HydrophobicContact CG-CG2 3.58Å; F137-V182 HydrophobicContact CD2-CG1 3.86Å; F137-V182 HydrophobicContact CE2-CG1 3.82Å; K178-V182 WeakPolarHBondContact O-CG2 3.44Å; K178-V182 PolarHBondContact O-N 3.37Å; I179-V182 HydrophobicContact CD1-CB 4.44Å; I179-V182 WeakPolarHBondContact O-CB 3.41Å; I179-V182 PolarHBondContact O-N 2.87Å; V182-Q184 VanDerWaalsContact C-N 3.34Å; V182-Q184 PolarHBondContact O-N 3.45Å; V182-L185 PolarHBondContact O-N 3.47Å; V182-F186 WeakPolarHBondContact O-CB 3.17Å; V182-F186 PolarHBondContact O-N 2.7Å; V182-V207 HydrophobicContact CG1-CB 4.38Å; V182-V207 HydrophobicContact CG1-CG1 4.03Å; V182-V207 HydrophobicContact CG1-CG2 3.88Å
183Q90.6Very high87.8Confident38 Ų3853.5 Ų53.518%0.17826%0.262CS..Hα-helixtrans-59.6-43.7177.3-71.8172.90.200111.7I179 N180 E181 F186 M187 G206 T209I179-Q183 VanDerWaalsContact O-CG 3.32Å; I179-Q183 WeakPolarHBondContact O-CG 3.27Å; I179-Q183 PolarHBondContact O-N 3.31Å; N180-Q183 PolarHBondContact O-N 3.44Å; E181-Q183 PolarHBondContact O-N 2.93Å; Q183-F186 PolarHBondContact O-N 2.91Å; Q183-M187 HydrophobicContact CB-CE 4.47Å; Q183-M187 WeakPolarHBondContact O-CE 3.12Å; Q183-M187 WeakPolarHBondContact O-CG 3.31Å; Q183-M187 PolarHBondContact O-N 3.04Å; Q183-G206 WeakPolarHBondContact CG-O 3.48Å; Q183-G206 PolarHBondContact NE2-O 2.92Å; Q183-T209 HydrophobicContact CG-CG2 3.96Å
184Q93Very high88.7Confident129 Ų12952.2 Ų52.260%0.60325%0.25SC*.Hα-helixtrans-61.8-46.9177-76.6-179.7-3.700111.9N180 E181 V182 F186 M187 E188N180-Q184 WeakPolarHBondContact O-CG 3.34Å; N180-Q184 PolarHBondContact O-N 2.98Å; E181-Q184 PolarHBondContact O-N 3.26Å; V182-Q184 VanDerWaalsContact C-N 3.34Å; V182-Q184 PolarHBondContact O-N 3.45Å; Q184-F186 VanDerWaalsContact C-N 3.32Å; Q184-F186 PolarHBondContact O-N 3.22Å; Q184-M187 HydrophobicContact CG-CE 4.45Å; Q184-M187 PolarHBondContact O-N 3.41Å; Q184-E188 WeakPolarHBondContact O-CB 3.16Å; Q184-E188 PolarHBondContact O-N 2.96Å
185L94Very high89.4Confident14 Ų1449.5 Ų49.57%0.07324%0.237CC..Hα-helixtrans-64.6-37.3177.8-69.4169.6000112L134 F137 R141 E181 V182 E188 L189L134-L185 HydrophobicContact CD2-CD1 4.12Å; F137-L185 HydrophobicContact CB-CB 3.87Å; F137-L185 HydrophobicContact CB-CD1 3.99Å; R141-L185 HydrophobicContact CB-CD2 4.45Å; E181-L185 HydrophobicContact CG-CD1 4.29Å; E181-L185 WeakPolarHBondContact O-CG 3.16Å; E181-L185 PolarHBondContact O-N 3.24Å; V182-L185 PolarHBondContact O-N 3.47Å; L185-E188 PolarHBondContact O-N 2.88Å; L185-L189 WeakPolarHBondContact O-CB 3.3Å; L185-L189 PolarHBondContact O-N 3.02Å
186F93.3Very high90.3Very high1 Ų149.5 Ų49.50%0.00424%0.237CC..Hα-helixtrans-62.6-49.4174.6-178.5-113.8000111.2F137 L149 L151 V182 Q183 Q184 E188 L189 L190 L199 V207 V208F137-F186 HydrophobicContact CE1-CB 4.24Å; F137-F186 AromaticContact CE1-CD2 3.64Å; F137-F186 HydrophobicContact CE1-CD2 3.64Å; F137-F186 HydrophobicContact CE1-CG 4.43Å; F137-F186 HydrophobicContact CZ-CB 4.36Å; F137-F186 AromaticContact CZ-CD2 3.78Å; F137-F186 HydrophobicContact CZ-CD2 3.78Å; F137-F186 HydrophobicContact CZ-CG 4.47Å; L149-F186 HydrophobicContact CD2-CE2 4.07Å; L151-F186 HydrophobicContact CD1-CE2 4.46Å; V182-F186 WeakPolarHBondContact O-CB 3.17Å; V182-F186 PolarHBondContact O-N 2.7Å; Q183-F186 PolarHBondContact O-N 2.91Å; Q184-F186 VanDerWaalsContact C-N 3.32Å; Q184-F186 PolarHBondContact O-N 3.22Å; F186-E188 VanDerWaalsContact C-N 3.34Å; F186-E188 PolarHBondContact O-N 3.47Å; F186-L189 WeakPolarHBondContact O-CB 2.9Å; F186-L189 PolarHBondContact O-N 3.33Å; F186-L190 HydrophobicContact CD1-CD1 4.07Å; F186-L190 HydrophobicContact CE1-CD1 3.58Å; F186-L190 HydrophobicContact CE1-CG 4.31Å; F186-L190 HydrophobicContact CE2-CD1 4.49Å; F186-L190 HydrophobicContact CE2-CD2 4.36Å; F186-L190 HydrophobicContact CE2-CG 4.42Å; F186-L190 HydrophobicContact CZ-CD1 3.82Å; F186-L190 HydrophobicContact CZ-CD2 4.25Å; F186-L190 HydrophobicContact CZ-CG 4.22Å; F186-L190 WeakPolarHBondContact O-CG 3.36Å; F186-L190 PolarHBondContact O-N 3.22Å; F186-L199 HydrophobicContact CE2-CD1 4.25Å; F186-L199 HydrophobicContact CZ-CD1 4.21Å; F186-V207 HydrophobicContact CB-CG1 4.39Å; F186-V207 HydrophobicContact CD2-CG1 4.36Å; F186-V207 HydrophobicContact CG-CG1 4.21Å; F186-V208 HydrophobicContact CE1-CG1 4.48Å; F186-V208 HydrophobicContact CE1-CG2 3.91Å; F186-V208 HydrophobicContact CZ-CG2 4.09Å
187M92.8Very high91.1Very high47 Ų4752 Ų5223%0.23224%0.241CC..Hα-helixtrans-61.2-41.4176.1-72-174.8-70.700112.2Q183 Q184 L189 L190 S191 C215Q183-M187 HydrophobicContact CB-CE 4.47Å; Q183-M187 WeakPolarHBondContact O-CE 3.12Å; Q183-M187 WeakPolarHBondContact O-CG 3.31Å; Q183-M187 PolarHBondContact O-N 3.04Å; Q184-M187 HydrophobicContact CG-CE 4.45Å; Q184-M187 PolarHBondContact O-N 3.41Å; M187-L189 PolarHBondContact O-N 3.22Å; M187-L190 PolarHBondContact O-N 3.46Å; M187-S191 WeakPolarHBondContact O-CB 3.49Å; M187-S191 PolarHBondContact O-N 3.23Å; M187-C215 HydrophobicContact CB-CB 4.18Å; M187-C215 HydrophobicContact CG-CB 4.43Å
188E93.5Very high91.5Very high75 Ų7548.3 Ų48.335%0.3522%0.223SC..Hα-helixtrans-60.2-45.3174.9-175.8-179.4174.100111Q184 L185 F186 L190 S191 N192Q184-E188 WeakPolarHBondContact O-CB 3.16Å; Q184-E188 PolarHBondContact O-N 2.96Å; L185-E188 PolarHBondContact O-N 2.88Å; F186-E188 VanDerWaalsContact C-N 3.34Å; F186-E188 PolarHBondContact O-N 3.47Å; E188-L190 PolarHBondContact O-N 3.42Å; E188-S191 PolarHBondContact O-N 3.38Å; E188-S191 PolarHBondContact O-OG 2.88Å; E188-N192 WeakPolarHBondContact O-CB 3.38Å; E188-N192 PolarHBondContact O-N 3.3Å; E188-N192 PolarHBondContact O-ND2 2.94Å
189L94Very high92Very high3 Ų346.8 Ų46.82%0.01622%0.217CC..Hα-helixtrans-60.4-46.3176.7177.6139.2000111.9I140 L146 L149 L185 F186 M187 S191 N192 S193I140-L189 HydrophobicContact CB-CD1 4.09Å; I140-L189 HydrophobicContact CD1-CD1 3.39Å; I140-L189 HydrophobicContact CG1-CD1 3.42Å; I140-L189 VanDerWaalsContact CG1-CD1 3.42Å; L146-L189 HydrophobicContact CD2-CD1 4.31Å; L146-L189 HydrophobicContact CD2-CD2 4.45Å; L149-L189 HydrophobicContact CD2-CD2 3.86Å; L185-L189 WeakPolarHBondContact O-CB 3.3Å; L185-L189 PolarHBondContact O-N 3.02Å; F186-L189 WeakPolarHBondContact O-CB 2.9Å; F186-L189 PolarHBondContact O-N 3.33Å; M187-L189 PolarHBondContact O-N 3.22Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 2.93Å; L189-N192 PolarHBondContact O-N 3.48Å; L189-S193 WeakPolarHBondContact O-CB 3.48Å; L189-S193 PolarHBondContact O-N 3.04Å
190L93.4Very high92.3Very high0 Ų046.4 Ų46.40%022%0.215CC..Hα-helixtrans-60.7-40.7177.3-66.5-177.8000111.5F186 M187 E188 N192 S193 L196 L199 S212 L216 S217F186-L190 HydrophobicContact CD1-CD1 4.07Å; F186-L190 HydrophobicContact CE1-CD1 3.58Å; F186-L190 HydrophobicContact CE1-CG 4.31Å; F186-L190 HydrophobicContact CE2-CD1 4.49Å; F186-L190 HydrophobicContact CE2-CD2 4.36Å; F186-L190 HydrophobicContact CE2-CG 4.42Å; F186-L190 HydrophobicContact CZ-CD1 3.82Å; F186-L190 HydrophobicContact CZ-CD2 4.25Å; F186-L190 HydrophobicContact CZ-CG 4.22Å; F186-L190 WeakPolarHBondContact O-CG 3.36Å; F186-L190 PolarHBondContact O-N 3.22Å; M187-L190 PolarHBondContact O-N 3.46Å; E188-L190 PolarHBondContact O-N 3.42Å; L190-N192 VanDerWaalsContact C-N 3.33Å; L190-N192 PolarHBondContact O-N 3.37Å; L190-S193 PolarHBondContact O-N 3.47Å; L190-S193 PolarHBondContact O-OG 3.19Å; L190-L196 HydrophobicContact CD2-CD2 4.05Å; L190-L199 HydrophobicContact CD2-CD1 4.4Å; L190-L199 HydrophobicContact CD2-CD2 4Å; L190-S212 VanDerWaalsContact CD1-O 3.25Å; L190-S212 WeakPolarHBondContact CD1-O 2.93Å; L190-L216 HydrophobicContact CB-CD1 4.26Å; L190-L216 HydrophobicContact CD2-CD1 3.98Å; L190-S217 PolarHBondContact O-N 3.19Å
191S93Very high92.3Very high57 Ų5742.7 Ų42.740%0.39920%0.195SC..Hα-helixtrans-67.2-32178.479.10000113.6M187 E188 L189 C215 S217M187-S191 WeakPolarHBondContact O-CB 3.49Å; M187-S191 PolarHBondContact O-N 3.23Å; E188-S191 PolarHBondContact O-N 3.38Å; E188-S191 PolarHBondContact O-OG 2.88Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 2.93Å; S191-C215 WeakPolarHBondContact CA-O 3.19Å; S191-C215 WeakPolarHBondContact CB-O 3.38Å; S191-C215 PolarHBondContact N-O 3.05Å; S191-S217 WeakPolarHBondContact O-CB 3.47Å
192N91.2Very high91.6Very high46 Ų4638.8 Ų38.825%0.24618%0.177CC..Hα-helixtrans-89.1-15.8-179.8-78-45000113.6E188 L189 L190E188-N192 WeakPolarHBondContact O-CB 3.38Å; E188-N192 PolarHBondContact O-N 3.3Å; E188-N192 PolarHBondContact O-ND2 2.94Å; L189-N192 PolarHBondContact O-N 3.48Å; L190-N192 VanDerWaalsContact C-N 3.33Å; L190-N192 PolarHBondContact O-N 3.37Å
193S90.4Very high90.6Very high4 Ų439.1 Ų39.13%0.02818%0.178CC..  trans-62.1142.7-178.1720000111.5L189 L190 S217 A220L189-S193 WeakPolarHBondContact O-CB 3.48Å; L189-S193 PolarHBondContact O-N 3.04Å; L190-S193 PolarHBondContact O-N 3.47Å; L190-S193 PolarHBondContact O-OG 3.19Å; S193-S217 WeakPolarHBondContact O-CB 3.39Å; S193-S217 PolarHBondContact O-OG 2.92Å; S193-A220 WeakPolarHBondContact OG-CB 3.41Å
194R89.6Confident89.6Confident147 Ų14737.7 Ų37.756%0.55517%0.172SC*.SBendtrans-132.2-17.8179.4-66-171.5178-165.1-3.5114.4
195Q90.6Very high88.1Confident73 Ų7332.8 Ų32.834%0.34115%0.15SC..SBendtrans-12712.5-175.6-57.4-169.111.500112.3L146 Q147 R197L146-Q195 CarbonylContact O-C 3.58Å; Q147-Q195 WeakPolarHBondContact CA-O 3.48Å; Q147-Q195 HydrophobicContact CG-CB 4.02Å; Q195-R197 WeakPolarHBondContact O-CG 3.49Å; Q195-R197 PolarHBondContact O-N 3.49Å; Q195-R197 VanDerWaalsContact O-N 3.14Å
196L94.3Very high86.9Confident0 Ų032.7 Ų32.70%015%0.152CC..  trans-67.9113.5-174.8-168.369.9000109.7L146 L149 L190 W198 L199 L216 A220 T223 L224L146-L196 PolarHBondContact O-N 2.8Å; L149-L196 HydrophobicContact CB-CD1 4.19Å; L190-L196 HydrophobicContact CD2-CD2 4.05Å; L196-W198 WeakPolarHBondContact CD1-O 3.15Å; L196-L199 HydrophobicContact CD2-CB 4.24Å; L196-L199 HydrophobicContact CD2-CD1 4.49Å; L196-L216 HydrophobicContact CD2-CD1 4.21Å; L196-A220 HydrophobicContact CB-CB 4.25Å; L196-T223 CarbonylContact O-C 3.57Å; L196-T223 PolarHBondContact O-OG1 2.77Å; L196-L224 HydrophobicContact CD2-CD1 4.32Å; L196-L224 HydrophobicContact CG-CD1 4.14Å; L196-L224 PolarHBondContact O-N 3.03Å
197R95.1Very high86.2Confident123 Ų12332.6 Ų32.646%0.46415%0.152SC..  trans-104.6-23.4178-63.8-179.9-177.1-177.9-0.6112.1Q147 Q195 Q225 H226Q147-R197 PolarHBondContact O-N 2.92Å; Q195-R197 WeakPolarHBondContact O-CG 3.49Å; Q195-R197 PolarHBondContact O-N 3.49Å; Q195-R197 VanDerWaalsContact O-N 3.14Å; R197-Q225 PolarHBondContact O-N 2.82Å; R197-H226 PolarHBondContact O-N 2.87Å
198W94.8Very high85.7Confident53 Ų5331.1 Ų31.120%0.20115%0.145CC..EExtended strand (participates in β ladder)trans-135.1117.4-173.8-171-63.6000110.1Q147 K148 L149 L196 H226 S492 A493Q147-W198 PolarHBondContact O-N 2.85Å; K148-W198 WeakPolarHBondContact CA-O 3.49Å; K148-W198 HydrophobicContact CB-CB 3.88Å; K148-W198 HydrophobicContact CB-CG 4.38Å; K148-W198 HydrophobicContact CD-CB 4.29Å; K148-W198 HydrophobicContact CD-CD2 4.33Å; K148-W198 HydrophobicContact CD-CG 3.98Å; K148-W198 HydrophobicContact CG-CB 3.75Å; K148-W198 HydrophobicContact CG-CG 3.69Å; L149-W198 PolarHBondContact N-O 3.15Å; L196-W198 WeakPolarHBondContact CD1-O 3.15Å; W198-H226 HydrophobicContact CB-CB 4.47Å; W198-H226 AromaticContact CD1-CD2 3.73Å; W198-H226 HydrophobicContact CD2-CB 3.56Å; W198-H226 AromaticContact CD2-CD2 3.61Å; W198-H226 AromaticContact CD2-CG 3.58Å; W198-H226 AromaticContact CE2-CD2 3.09Å; W198-H226 AromaticContact CE2-CG 3.35Å; W198-H226 AromaticContact CE2-ND1 3.97Å; W198-H226 AromaticContact CE2-NE2 3.64Å; W198-H226 HydrophobicContact CE3-CB 3.42Å; W198-H226 VanDerWaalsContact CE3-CB 3.42Å; W198-H226 AromaticContact CE3-CG 3.77Å; W198-H226 HydrophobicContact CG-CB 4.08Å; W198-H226 AromaticContact CG-CD2 3.93Å; W198-H226 HydrophobicContact CH2-CB 3.87Å; W198-H226 AromaticContact CH2-CD2 3.93Å; W198-H226 AromaticContact CH2-CE1 3.89Å; W198-H226 AromaticContact CH2-CG 3.39Å; W198-H226 AromaticContact CH2-ND1 3.34Å; W198-H226 VanDerWaalsContact CH2-ND1 3.34Å; W198-H226 WeakPolarHBondContact CH2-ND1 3.15Å; W198-H226 HydrophobicContact CZ2-CB 4.01Å; W198-H226 AromaticContact CZ2-CD2 3.23Å; W198-H226 WeakPolarHBondContact CZ2-CD2 3.43Å; W198-H226 AromaticContact CZ2-CE1 3.47Å; W198-H226 VanDerWaalsContact CZ2-CE1 3.47Å; W198-H226 WeakPolarHBondContact CZ2-CE1 3.45Å; W198-H226 AromaticContact CZ2-CG 3.2Å; W198-H226 AromaticContact CZ2-ND1 3.33Å; W198-H226 VanDerWaalsContact CZ2-ND1 3.33Å; W198-H226 WeakPolarHBondContact CZ2-ND1 3.1Å; W198-H226 AromaticContact CZ2-NE2 3.4Å; W198-H226 WeakPolarHBondContact CZ2-NE2 3.35Å; W198-H226 HydrophobicContact CZ3-CB 3.61Å; W198-H226 AromaticContact CZ3-CG 3.7Å; W198-H226 AromaticContact CZ3-ND1 4Å; W198-H226 AromaticContact NE1-CD2 3.24Å; W198-H226 PolarHBondContact NE1-CD2 3.06Å; W198-H226 AromaticContact NE1-CG 3.98Å; W198-H226 AromaticContact NE1-NE2 3.74Å; W198-S492 WeakPolarHBondContact CZ2-O 3.46Å; W198-A493 VanDerWaalsContact CH2-C 3.5Å; W198-A493 WeakPolarHBondContact CH2-O 3.34Å; W198-A493 VanDerWaalsContact CZ2-CA 3.45Å; W198-A493 HydrophobicContact CZ2-CB 4.49Å; W198-A493 WeakPolarHBondContact CZ2-O 3.4Å
199L93.8Very high85.1Confident0 Ų028.8 Ų28.80%014%0.136CC..EExtended strand (participates in β ladder)trans-124.7114.5171.6-179.862.1000108.5L149 F186 L190 L196 L213 L224 H226 L227 S228L149-L199 HydrophobicContact CB-CD1 4.22Å; L149-L199 HydrophobicContact CD2-CD1 4.03Å; L149-L199 HydrophobicContact CG-CD1 4.35Å; L149-L199 WeakPolarHBondContact O-CA 3.47Å; F186-L199 HydrophobicContact CE2-CD1 4.25Å; F186-L199 HydrophobicContact CZ-CD1 4.21Å; L190-L199 HydrophobicContact CD2-CD1 4.4Å; L190-L199 HydrophobicContact CD2-CD2 4Å; L196-L199 HydrophobicContact CD2-CB 4.24Å; L196-L199 HydrophobicContact CD2-CD1 4.49Å; L199-L213 HydrophobicContact CD2-CD2 4.08Å; L199-L224 HydrophobicContact CB-CD1 4.03Å; L199-H226 PolarHBondContact N-O 2.76Å; L199-L227 HydrophobicContact CB-CD1 4.37Å; L199-L227 HydrophobicContact CD2-CD1 4.09Å; L199-L227 HydrophobicContact CG-CD1 4.38Å; L199-L227 CarbonylContact O-C 3.57Å; L199-L227 WeakPolarHBondContact O-CA 3.05Å; L199-S228 PolarHBondContact O-N 3.28Å
200S91Very high84.5Confident0 Ų031.7 Ų31.70%016%0.155CC..EExtended strand (participates in β ladder)trans-124.2125.1169.4178.90000109.6L149 S150 L151 S228 S492L149-S200 PolarHBondContact O-N 3.39Å; S150-S200 CarbonylContact C-O 3.53Å; S150-S200 WeakPolarHBondContact CA-O 3.24Å; L151-S200 PolarHBondContact N-O 2.96Å; S200-S228 CarbonylContact C-O 3.47Å; S200-S228 WeakPolarHBondContact CA-O 3.4Å; S200-S228 WeakPolarHBondContact OG-CB 3.43Å; S200-S228 PolarHBondContact OG-OG 2.98Å; S200-S492 WeakPolarHBondContact CB-OG 3.21Å; S200-S492 PolarHBondContact OG-OG 3.41Å
201C87.1Confident84.1Confident3 Ų335.6 Ų35.62%0.0218%0.181CC..EExtended strand (participates in β ladder)trans-130.3112.4168.3-59.60000106.9L151 V208 S228 L229 L230L151-C201 WeakPolarHBondContact O-CA 3.39Å; C201-V208 HydrophobicContact CB-CG2 3.5Å; C201-V208 VanDerWaalsContact CB-CG2 3.5Å; C201-S228 PolarHBondContact N-O 2.86Å; C201-L229 HydrophobicContact CB-CD2 3.93Å; C201-L229 WeakPolarHBondContact O-CA 3.39Å; C201-L230 PolarHBondContact O-N 3.01Å; C201-L230 VanDerWaalsContact O-N 3.13Å
202S77.9Confident83.9Confident1 Ų132.9 Ų32.91%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-128.7126.4-179.7-57.20000108.3L151 G153 M204 S228 L230L151-S202 PolarHBondContact O-N 2.98Å; G153-S202 PolarHBondContact N-O 3.24Å; S202-M204 PolarHBondContact O-N 3.35Å; S202-M204 VanDerWaalsContact O-N 3.15Å; S202-S228 PolarHBondContact OG-OG 2.92Å; S202-L230 WeakPolarHBondContact CA-O 3.33Å
203F70.1Confident83.8Confident7 Ų730.9 Ų30.93%0.03115%0.152CC..SBendtrans59.226.7174.6-54.8-93.4000114.4G153 T155 L205 L230 H232 L285 F484 L488G153-F203 WeakPolarHBondContact CA-O 3.48Å; T155-F203 HydrophobicContact CG2-CD1 3.44Å; T155-F203 VanDerWaalsContact CG2-CD1 3.44Å; T155-F203 HydrophobicContact CG2-CE1 3.68Å; T155-F203 HydrophobicContact CG2-CG 4.01Å; T155-F203 HydrophobicContact CG2-CZ 4.44Å; F203-L205 PolarHBondContact O-N 3.04Å; F203-L230 HydrophobicContact CE2-CB 4.01Å; F203-L230 HydrophobicContact CE2-CD1 4.43Å; F203-L230 PolarHBondContact N-O 2.88Å; F203-H232 HydrophobicContact CD1-CB 3.69Å; F203-H232 HydrophobicContact CE1-CB 3.92Å; F203-L285 HydrophobicContact CE1-CD2 4.47Å; F203-L285 HydrophobicContact CZ-CD2 3.7Å; F203-F484 HydrophobicContact CZ-CE1 4.31Å; F203-F484 HydrophobicContact CZ-CZ 4.35Å; F203-L488 HydrophobicContact CD2-CD2 3.26Å; F203-L488 HydrophobicContact CD2-CG 4.44Å; F203-L488 HydrophobicContact CE2-CD1 3.65Å; F203-L488 HydrophobicContact CE2-CD2 3.03Å; F203-L488 HydrophobicContact CE2-CG 3.84Å; F203-L488 HydrophobicContact CG-CD2 4.39Å; F203-L488 HydrophobicContact CZ-CD1 4.11Å; F203-L488 HydrophobicContact CZ-CD2 3.96Å
204M69.8Low83.8Confident9 Ų933.5 Ų33.54%0.04417%0.17CC..  trans-88.8103.4176.5-68.6-66.6-66.100109.5L90 Y129 V133 L151 S202 G206 V207L90-M204 HydrophobicContact CD1-CE 4.11Å; L90-M204 HydrophobicContact CD1-SD 3.63Å; Y129-M204 HydrophobicContact CE2-CE 4.28Å; Y129-M204 VanDerWaalsContact OH-CE 3.24Å; Y129-M204 WeakPolarHBondContact OH-CE 3.43Å; V133-M204 HydrophobicContact CG2-CE 4.38Å; L151-M204 HydrophobicContact CB-CE 4.15Å; L151-M204 HydrophobicContact CB-CG 3.66Å; L151-M204 HydrophobicContact CB-SD 3.96Å; S202-M204 PolarHBondContact O-N 3.35Å; S202-M204 VanDerWaalsContact O-N 3.15Å; M204-G206 PolarHBondContact O-N 2.89Å; M204-V207 HydrophobicContact CB-CB 4.05Å; M204-V207 HydrophobicContact CB-CG2 3.94Å; M204-V207 HydrophobicContact CE-CG2 4Å; M204-V207 PolarHBondContact O-N 3.43Å
205L61Low83.9Confident26 Ų2628.4 Ų28.414%0.13616%0.156CC..THydrogen-bonded Turntrans-50.9110.4-177.9-175.170000111.3M126 L158 L169 I179 F203 V207M126-L205 HydrophobicContact CE-CD2 3.88Å; M126-L205 HydrophobicContact SD-CD2 4.03Å; L158-L205 HydrophobicContact CD2-CD1 4.26Å; L169-L205 HydrophobicContact CD2-CD2 4Å; L169-L205 HydrophobicContact CG-CD2 4.31Å; I179-L205 VanDerWaalsContact CD1-O 3.3Å; I179-L205 WeakPolarHBondContact CD1-O 3.5Å; F203-L205 PolarHBondContact O-N 3.04Å; L205-V207 PolarHBondContact O-N 3.46Å; L205-V207 VanDerWaalsContact O-N 3.08Å
206G68.9Low84Confident11 Ų1125.1 Ų25.111%0.11314%0.141CC..THydrogen-bonded Turntrans66.16.9169.500000116.7Q183 M204Q183-G206 WeakPolarHBondContact CG-O 3.48Å; Q183-G206 PolarHBondContact NE2-O 2.92Å; M204-G206 PolarHBondContact O-N 2.89Å
207V78.4Confident83.9Confident0 Ų026.1 Ų26.10%015%0.148CC..THydrogen-bonded Turntrans-73.5-42.6-179.21770000111.2F137 L151 I179 V182 F186 M204 L205F137-V207 HydrophobicContact CE2-CG1 4.04Å; F137-V207 HydrophobicContact CZ-CG1 3.99Å; L151-V207 HydrophobicContact CD1-CG1 4.42Å; I179-V207 HydrophobicContact CD1-CG2 4.48Å; V182-V207 HydrophobicContact CG1-CB 4.38Å; V182-V207 HydrophobicContact CG1-CG1 4.03Å; V182-V207 HydrophobicContact CG1-CG2 3.88Å; F186-V207 HydrophobicContact CB-CG1 4.39Å; F186-V207 HydrophobicContact CD2-CG1 4.36Å; F186-V207 HydrophobicContact CG-CG1 4.21Å; M204-V207 HydrophobicContact CB-CB 4.05Å; M204-V207 HydrophobicContact CB-CG2 3.94Å; M204-V207 HydrophobicContact CE-CG2 4Å; M204-V207 PolarHBondContact O-N 3.43Å; L205-V207 PolarHBondContact O-N 3.46Å; L205-V207 VanDerWaalsContact O-N 3.08Å
208V81.7Confident83.7Confident16 Ų1625.4 Ų25.410%0.09715%0.153CC..  trans-96.2133.4178.7-173.90000108.9F186 C201 L229 L241F186-V208 HydrophobicContact CE1-CG1 4.48Å; F186-V208 HydrophobicContact CE1-CG2 3.91Å; F186-V208 HydrophobicContact CZ-CG2 4.09Å; C201-V208 HydrophobicContact CB-CG2 3.5Å; C201-V208 VanDerWaalsContact CB-CG2 3.5Å; V208-L229 HydrophobicContact CG1-CD2 4.14Å; V208-L229 HydrophobicContact CG2-CD2 4.3Å; V208-L241 HydrophobicContact CG1-CD1 4.35Å; V208-L241 HydrophobicContact CG1-CD2 4.42Å
209T81.8Confident83.5Confident26 Ų2625.9 Ų25.916%0.1616%0.163CC..  trans-116.8160.4173.566.50000109.7Q183 C211 S212Q183-T209 HydrophobicContact CG-CG2 3.96Å; T209-C211 PolarHBondContact O-N 2.81Å; T209-S212 PolarHBondContact N-OG 3.16Å; T209-S212 VanDerWaalsContact O-CB 3.23Å; T209-S212 WeakPolarHBondContact O-CB 3.43Å; T209-S212 PolarHBondContact O-N 2.96Å; T209-S212 PolarHBondContact O-OG 3.16Å; T209-S212 PolarHBondContact OG1-N 3.25Å; T209-S212 PolarHBondContact OG1-OG 3.02Å
210P81.2Confident83.3Confident64 Ų6425.9 Ų25.942%0.41616%0.163SC..THydrogen-bonded Turntrans-56.2-22.4174.9-27.235.4000114.5K239 L241P210-K239 HydrophobicContact CG-CB 4.3Å; P210-L241 HydrophobicContact CG-CD2 4.29Å
211C83.8Confident83.3Confident81 Ų8126 Ų2655%0.54716%0.164SC..THydrogen-bonded Turntrans-87.2-12.4176.8-59.90000113.1T209 L213 S214T209-C211 PolarHBondContact O-N 2.81Å; C211-L213 PolarHBondContact O-N 2.75Å; C211-S214 WeakPolarHBondContact O-CB 2.83Å; C211-S214 PolarHBondContact O-N 3.29Å; C211-S214 PolarHBondContact O-OG 2.97Å
212S89.1Confident83.5Confident0 Ų031.6 Ų31.60%019%0.19CC..G310 helixtrans-62.4-42.3-169.9-67.10000112.9L190 T209 S214 C215L190-S212 VanDerWaalsContact CD1-O 3.25Å; L190-S212 WeakPolarHBondContact CD1-O 2.93Å; T209-S212 PolarHBondContact N-OG 3.16Å; T209-S212 VanDerWaalsContact O-CB 3.23Å; T209-S212 WeakPolarHBondContact O-CB 3.43Å; T209-S212 PolarHBondContact O-N 2.96Å; T209-S212 PolarHBondContact O-OG 3.16Å; T209-S212 PolarHBondContact OG1-N 3.25Å; T209-S212 PolarHBondContact OG1-OG 3.02Å; S212-S214 VanDerWaalsContact C-N 3.25Å; S212-S214 PolarHBondContact O-N 3.32Å; S212-C215 WeakPolarHBondContact O-CB 3.35Å; S212-C215 PolarHBondContact O-N 3.07Å
213L90Very high84.2Confident5 Ų533.6 Ų33.63%0.02620%0.203CC..G310 helixtrans-65.9-28.5177.2-73.3-175.9000112.8L199 C211 C215 L216 L227 L229 V242 E246 R249L199-L213 HydrophobicContact CD2-CD2 4.08Å; C211-L213 PolarHBondContact O-N 2.75Å; L213-C215 PolarHBondContact O-N 2.78Å; L213-L216 WeakPolarHBondContact O-CB 3.38Å; L213-L216 PolarHBondContact O-N 2.81Å; L213-L227 HydrophobicContact CD1-CD2 4.13Å; L213-L227 HydrophobicContact CD2-CD1 4.1Å; L213-L229 HydrophobicContact CD1-CD1 3.59Å; L213-L229 HydrophobicContact CD2-CD1 4.19Å; L213-L229 HydrophobicContact CG-CD1 3.92Å; L213-V242 HydrophobicContact CD1-CG1 4.4Å; L213-V242 HydrophobicContact CD1-CG2 3.9Å; L213-E246 HydrophobicContact CB-CB 4.18Å; L213-E246 HydrophobicContact CB-CG 4.13Å; L213-R249 PolarHBondContact O-NH2 3.04Å
214S90.1Very high85.3Confident58 Ų5833.3 Ų33.341%0.40620%0.201SC..G310 helixtrans-62-28.9177.1780000112.2C211 S212 L216 E246 R249C211-S214 WeakPolarHBondContact O-CB 2.83Å; C211-S214 PolarHBondContact O-N 3.29Å; C211-S214 PolarHBondContact O-OG 2.97Å; S212-S214 VanDerWaalsContact C-N 3.25Å; S212-S214 PolarHBondContact O-N 3.32Å; S214-L216 VanDerWaalsContact C-N 3.27Å; S214-L216 PolarHBondContact O-N 3.39Å; S214-E246 WeakPolarHBondContact CA-OE2 3.36Å; S214-R249 PolarHBondContact O-NH2 3.29Å
215C91.1Very high86.5Confident40 Ų4036.5 Ų36.527%0.2722%0.216SC..G310 helixtrans-75.1-11.3176.1-58.20000114M187 S191 S212 L213 S217M187-C215 HydrophobicContact CB-CB 4.18Å; M187-C215 HydrophobicContact CG-CB 4.43Å; S191-C215 WeakPolarHBondContact CA-O 3.19Å; S191-C215 WeakPolarHBondContact CB-O 3.38Å; S191-C215 PolarHBondContact N-O 3.05Å; S212-C215 WeakPolarHBondContact O-CB 3.35Å; S212-C215 PolarHBondContact O-N 3.07Å; L213-C215 PolarHBondContact O-N 2.78Å; C215-S217 PolarHBondContact O-N 3.4Å
216L92.5Very high88.1Confident5 Ų535.4 Ų35.43%0.02621%0.21CC..  trans-59.7127.4179.3-16971.8000110.8L190 L196 L213 S214 A220 A221 L224 R249 L250L190-L216 HydrophobicContact CB-CD1 4.26Å; L190-L216 HydrophobicContact CD2-CD1 3.98Å; L196-L216 HydrophobicContact CD2-CD1 4.21Å; L213-L216 WeakPolarHBondContact O-CB 3.38Å; L213-L216 PolarHBondContact O-N 2.81Å; S214-L216 VanDerWaalsContact C-N 3.27Å; S214-L216 PolarHBondContact O-N 3.39Å; L216-A220 HydrophobicContact CD1-CB 3.72Å; L216-A220 HydrophobicContact CG-CB 3.97Å; L216-A221 HydrophobicContact CD2-CB 3.99Å; L216-L224 HydrophobicContact CD2-CD2 4.41Å; L216-R249 PolarHBondContact O-NH1 3.36Å; L216-L250 HydrophobicContact CD2-CD2 3.74Å
217S92.1Very high89.3Confident20 Ų2034.9 Ų34.914%0.1421%0.205CC..  trans-62.3150.7179.486.20000111.6L190 S191 S193 C215 P219 A220 A221L190-S217 PolarHBondContact O-N 3.19Å; S191-S217 WeakPolarHBondContact O-CB 3.47Å; S193-S217 WeakPolarHBondContact O-CB 3.39Å; S193-S217 PolarHBondContact O-OG 2.92Å; C215-S217 PolarHBondContact O-N 3.4Å; S217-P219 WeakPolarHBondContact OG-CD 3.46Å; S217-A220 PolarHBondContact O-N 3.08Å; S217-A220 VanDerWaalsContact O-N 3.15Å; S217-A220 VanDerWaalsContact OG-CB 3.27Å; S217-A220 WeakPolarHBondContact OG-CB 3.34Å; S217-A220 PolarHBondContact OG-N 3.44Å; S217-A221 WeakPolarHBondContact O-CB 3.4Å; S217-A221 PolarHBondContact O-N 3.11Å
218N91.1Very high89.9Confident108 Ų10834.9 Ų34.958%0.57821%0.205SC*.Hα-helixtrans-58.1-44.3178.1-64-22.7000113.2A220 A221 E222N218-A220 VanDerWaalsContact C-N 3.3Å; N218-A220 PolarHBondContact O-N 3.23Å; N218-A221 PolarHBondContact O-N 2.76Å; N218-E222 PolarHBondContact O-N 2.9Å
219P90.6Very high90.2Very high63 Ų6334.3 Ų34.341%0.40920%0.201SC..Hα-helixtrans-61.3-36.9175.6-23.634.1000113.5S217 T223S217-P219 WeakPolarHBondContact OG-CD 3.46Å; P219-T223 WeakPolarHBondContact O-CG2 3.37Å; P219-T223 PolarHBondContact O-N 2.71Å; P219-T223 PolarHBondContact O-OG1 3.04Å
220A90.3Very high90.1Very high0 Ų033.2 Ų33.20%019%0.194CC..Hα-helixtrans-70.3-41.7176.300000111.5S193 L196 L216 S217 N218 E222 T223 L224S193-A220 WeakPolarHBondContact OG-CB 3.41Å; L196-A220 HydrophobicContact CB-CB 4.25Å; L216-A220 HydrophobicContact CD1-CB 3.72Å; L216-A220 HydrophobicContact CG-CB 3.97Å; S217-A220 PolarHBondContact O-N 3.08Å; S217-A220 VanDerWaalsContact O-N 3.15Å; S217-A220 VanDerWaalsContact OG-CB 3.27Å; S217-A220 WeakPolarHBondContact OG-CB 3.34Å; S217-A220 PolarHBondContact OG-N 3.44Å; N218-A220 VanDerWaalsContact C-N 3.3Å; N218-A220 PolarHBondContact O-N 3.23Å; A220-E222 VanDerWaalsContact C-N 3.26Å; A220-E222 PolarHBondContact O-N 3.4Å; A220-T223 WeakPolarHBondContact CA-OG1 3.19Å; A220-T223 PolarHBondContact O-N 3.27Å; A220-T223 PolarHBondContact O-OG1 3Å; A220-L224 WeakPolarHBondContact O-CB 3.21Å; A220-L224 PolarHBondContact O-N 2.78Å
221A91.4Very high89.6Confident3 Ų331.4 Ų31.43%0.02518%0.181CC..Hα-helixtrans-58.2-38.3175.900000112.6L216 S217 N218 R249 L250L216-A221 HydrophobicContact CD2-CB 3.99Å; S217-A221 WeakPolarHBondContact O-CB 3.4Å; S217-A221 PolarHBondContact O-N 3.11Å; N218-A221 PolarHBondContact O-N 2.76Å; A221-R249 HydrophobicContact CB-CB 4.17Å; A221-L250 HydrophobicContact CB-CD2 3.83Å; A221-L250 WeakPolarHBondContact O-CD2 3.45Å
222E90.5Very high88.5Confident120 Ų12029.2 Ų29.256%0.56116%0.163SC*.Hα-helixtrans-74-26.7175.7-71178.2-174.500113.5N218 A220 N252N218-E222 PolarHBondContact O-N 2.9Å; A220-E222 VanDerWaalsContact C-N 3.26Å; A220-E222 PolarHBondContact O-N 3.4Å; E222-N252 PolarHBondContact O-ND2 3.12Å
223T91.8Very high87.1Confident44 Ų4433 Ų3327%0.2718%0.181SC..Hα-helixtrans-95.8-14.3-177.251.70000113.7L196 P219 A220 Q225L196-T223 CarbonylContact O-C 3.57Å; L196-T223 PolarHBondContact O-OG1 2.77Å; P219-T223 WeakPolarHBondContact O-CG2 3.37Å; P219-T223 PolarHBondContact O-N 2.71Å; P219-T223 PolarHBondContact O-OG1 3.04Å; A220-T223 WeakPolarHBondContact CA-OG1 3.19Å; A220-T223 PolarHBondContact O-N 3.27Å; A220-T223 PolarHBondContact O-OG1 3Å; T223-Q225 PolarHBondContact O-N 3.44Å
224L94.9Very high85.6Confident0 Ų034.7 Ų34.70%019%0.189CC..  trans-64.7123.3-179.2-156.676.1000111.3L196 L199 L216 A220 L227 L250 N252L196-L224 HydrophobicContact CD2-CD1 4.32Å; L196-L224 HydrophobicContact CG-CD1 4.14Å; L196-L224 PolarHBondContact O-N 3.03Å; L199-L224 HydrophobicContact CB-CD1 4.03Å; L216-L224 HydrophobicContact CD2-CD2 4.41Å; A220-L224 WeakPolarHBondContact O-CB 3.21Å; A220-L224 PolarHBondContact O-N 2.78Å; L224-L227 HydrophobicContact CD2-CB 4.2Å; L224-L227 HydrophobicContact CD2-CD1 4.29Å; L224-L250 HydrophobicContact CB-CD2 4.17Å; L224-L250 HydrophobicContact CD2-CD1 3.87Å; L224-L250 HydrophobicContact CD2-CD2 3.91Å; L224-L250 HydrophobicContact CD2-CG 4.48Å; L224-N252 CarbonylContact O-C 3.42Å
225Q94.7Very high84.1Confident77 Ų7733 Ų3336%0.3618%0.181SC..  trans-113.6-26.3-179.7-66.4178.73.900112.1R197 T223 R254 S255R197-Q225 PolarHBondContact O-N 2.82Å; T223-Q225 PolarHBondContact O-N 3.44Å; Q225-R254 PolarHBondContact O-N 3.46Å; Q225-S255 PolarHBondContact O-N 2.82Å
226H94.1Very high82.3Confident2 Ų239.6 Ų39.61%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-129.7130.8177.7176.986.1000110.8R197 W198 L199 S228 S255 S492R197-H226 PolarHBondContact O-N 2.87Å; W198-H226 HydrophobicContact CB-CB 4.47Å; W198-H226 AromaticContact CD1-CD2 3.73Å; W198-H226 HydrophobicContact CD2-CB 3.56Å; W198-H226 AromaticContact CD2-CD2 3.61Å; W198-H226 AromaticContact CD2-CG 3.58Å; W198-H226 AromaticContact CE2-CD2 3.09Å; W198-H226 AromaticContact CE2-CG 3.35Å; W198-H226 AromaticContact CE2-ND1 3.97Å; W198-H226 AromaticContact CE2-NE2 3.64Å; W198-H226 HydrophobicContact CE3-CB 3.42Å; W198-H226 VanDerWaalsContact CE3-CB 3.42Å; W198-H226 AromaticContact CE3-CG 3.77Å; W198-H226 HydrophobicContact CG-CB 4.08Å; W198-H226 AromaticContact CG-CD2 3.93Å; W198-H226 HydrophobicContact CH2-CB 3.87Å; W198-H226 AromaticContact CH2-CD2 3.93Å; W198-H226 AromaticContact CH2-CE1 3.89Å; W198-H226 AromaticContact CH2-CG 3.39Å; W198-H226 AromaticContact CH2-ND1 3.34Å; W198-H226 VanDerWaalsContact CH2-ND1 3.34Å; W198-H226 WeakPolarHBondContact CH2-ND1 3.15Å; W198-H226 HydrophobicContact CZ2-CB 4.01Å; W198-H226 AromaticContact CZ2-CD2 3.23Å; W198-H226 WeakPolarHBondContact CZ2-CD2 3.43Å; W198-H226 AromaticContact CZ2-CE1 3.47Å; W198-H226 VanDerWaalsContact CZ2-CE1 3.47Å; W198-H226 WeakPolarHBondContact CZ2-CE1 3.45Å; W198-H226 AromaticContact CZ2-CG 3.2Å; W198-H226 AromaticContact CZ2-ND1 3.33Å; W198-H226 VanDerWaalsContact CZ2-ND1 3.33Å; W198-H226 WeakPolarHBondContact CZ2-ND1 3.1Å; W198-H226 AromaticContact CZ2-NE2 3.4Å; W198-H226 WeakPolarHBondContact CZ2-NE2 3.35Å; W198-H226 HydrophobicContact CZ3-CB 3.61Å; W198-H226 AromaticContact CZ3-CG 3.7Å; W198-H226 AromaticContact CZ3-ND1 4Å; W198-H226 AromaticContact NE1-CD2 3.24Å; W198-H226 PolarHBondContact NE1-CD2 3.06Å; W198-H226 AromaticContact NE1-CG 3.98Å; W198-H226 AromaticContact NE1-NE2 3.74Å; L199-H226 PolarHBondContact N-O 2.76Å; H226-S228 VanDerWaalsContact NE2-CB 3.27Å; H226-S228 WeakPolarHBondContact NE2-CB 3.46Å; H226-S255 WeakPolarHBondContact CA-O 3.41Å; H226-S255 PolarHBondContact CE1-OG 2.67Å; H226-S255 WeakPolarHBondContact ND1-CB 3.28Å; H226-S255 PolarHBondContact ND1-OG 2.71Å; H226-S492 PolarHBondContact CE1-O 2.86Å; H226-S492 PolarHBondContact NE2-O 2.79Å
227L93.8Very high80.5Confident0 Ų048.1 Ų48.10%025%0.247CC..EExtended strand (participates in β ladder)trans-130.7123.9172.1-179.465.8000109L199 L213 L224 L229 V242 L247 L250 L253 S255 L256 A257L199-L227 HydrophobicContact CB-CD1 4.37Å; L199-L227 HydrophobicContact CD2-CD1 4.09Å; L199-L227 HydrophobicContact CG-CD1 4.38Å; L199-L227 CarbonylContact O-C 3.57Å; L199-L227 WeakPolarHBondContact O-CA 3.05Å; L213-L227 HydrophobicContact CD1-CD2 4.13Å; L213-L227 HydrophobicContact CD2-CD1 4.1Å; L224-L227 HydrophobicContact CD2-CB 4.2Å; L224-L227 HydrophobicContact CD2-CD1 4.29Å; L227-L229 HydrophobicContact CD1-CD1 3.99Å; L227-L229 HydrophobicContact CD1-CD2 4.32Å; L227-L229 HydrophobicContact CD1-CG 3.82Å; L227-L229 HydrophobicContact CD2-CD1 4.49Å; L227-L229 HydrophobicContact CG-CD1 4.44Å; L227-L229 HydrophobicContact CG-CG 4.24Å; L227-V242 HydrophobicContact CD2-CG2 4.46Å; L227-L247 HydrophobicContact CD2-CD1 4.16Å; L227-L250 HydrophobicContact CD2-CD1 3.92Å; L227-L253 HydrophobicContact CB-CD1 3.73Å; L227-S255 PolarHBondContact N-O 3.31Å; L227-L256 HydrophobicContact CB-CD1 4.2Å; L227-L256 HydrophobicContact CD2-CD1 4.1Å; L227-L256 HydrophobicContact CG-CD1 4.31Å; L227-L256 CarbonylContact O-C 3.56Å; L227-L256 VanDerWaalsContact O-CA 3.28Å; L227-L256 WeakPolarHBondContact O-CA 3.43Å; L227-A257 PolarHBondContact O-N 2.62Å
228S90.9Very high79.1Confident0 Ų048.9 Ų48.90%025%0.251CS..EExtended strand (participates in β ladder)trans-129.1114.5170.4167.90000108.3L199 S200 C201 S202 H226 S492L199-S228 PolarHBondContact O-N 3.28Å; S200-S228 CarbonylContact C-O 3.47Å; S200-S228 WeakPolarHBondContact CA-O 3.4Å; S200-S228 WeakPolarHBondContact OG-CB 3.43Å; S200-S228 PolarHBondContact OG-OG 2.98Å; C201-S228 PolarHBondContact N-O 2.86Å; S202-S228 PolarHBondContact OG-OG 2.92Å; H226-S228 VanDerWaalsContact NE2-CB 3.27Å; H226-S228 WeakPolarHBondContact NE2-CB 3.46Å; S228-S492 WeakPolarHBondContact OG-CB 3.49Å
229L87.6Confident78Confident4 Ų451.4 Ų51.42%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-128.896.8174.8-63.8-179.3000107.2C201 V208 L213 L227 L241 V242 A257 L258C201-L229 HydrophobicContact CB-CD2 3.93Å; C201-L229 WeakPolarHBondContact O-CA 3.39Å; V208-L229 HydrophobicContact CG1-CD2 4.14Å; V208-L229 HydrophobicContact CG2-CD2 4.3Å; L213-L229 HydrophobicContact CD1-CD1 3.59Å; L213-L229 HydrophobicContact CD2-CD1 4.19Å; L213-L229 HydrophobicContact CG-CD1 3.92Å; L227-L229 HydrophobicContact CD1-CD1 3.99Å; L227-L229 HydrophobicContact CD1-CD2 4.32Å; L227-L229 HydrophobicContact CD1-CG 3.82Å; L227-L229 HydrophobicContact CD2-CD1 4.49Å; L227-L229 HydrophobicContact CG-CD1 4.44Å; L227-L229 HydrophobicContact CG-CG 4.24Å; L229-L241 HydrophobicContact CB-CD1 4.33Å; L229-L241 HydrophobicContact CD1-CB 4.41Å; L229-V242 HydrophobicContact CD1-CG2 3.67Å; L229-A257 PolarHBondContact N-O 3.13Å; L229-L258 HydrophobicContact CB-CD2 4.4Å
230L80.1Confident77.3Confident4 Ų450.2 Ų50.22%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-116.6127.2178.6-62.3175.7000107.9C201 S202 F203 L285 L488 F491C201-L230 PolarHBondContact O-N 3.01Å; C201-L230 VanDerWaalsContact O-N 3.13Å; S202-L230 WeakPolarHBondContact CA-O 3.33Å; F203-L230 HydrophobicContact CE2-CB 4.01Å; F203-L230 HydrophobicContact CE2-CD1 4.43Å; F203-L230 PolarHBondContact N-O 2.88Å; L230-L285 HydrophobicContact CD2-CB 3.97Å; L230-L285 HydrophobicContact CD2-CD2 4.44Å; L230-L488 HydrophobicContact CD1-CD1 3.9Å; L230-F491 HydrophobicContact CD1-CD1 4.21Å; L230-F491 HydrophobicContact CD1-CE1 4.05Å
231D71.3Confident76.7Confident26 Ų2651 Ų5114%0.13925%0.254CS..  trans-125150.8-178.8-157.5-7000110.7Q233 L241D231-Q233 PolarHBondContact OD1-N 2.9Å; D231-L241 HydrophobicContact CB-CD1 3.82Å
232H61.1Low76.2Confident35 Ų3551.5 Ų51.516%0.16226%0.257CS..  trans-109.47.2177.8-166.667.4000112.1L158 F203 L234L158-H232 HydrophobicContact CD1-CB 4.41Å; F203-H232 HydrophobicContact CD1-CB 3.69Å; F203-H232 HydrophobicContact CE1-CB 3.92Å; H232-L234 PolarHBondContact O-N 3.12Å
233Q60.1Low76Confident80 Ų8048.1 Ų48.137%0.37425%0.247SC..  trans-64.3120.6175.9-67-163.3-8.800110.5D231 V238D231-Q233 PolarHBondContact OD1-N 2.9Å; Q233-V238 HydrophobicContact CB-CG1 4.34Å; Q233-V238 HydrophobicContact CB-CG2 3.93Å; Q233-V238 WeakPolarHBondContact O-CG2 3.26Å
234L58.4Low75.7Confident39 Ų3948.9 Ų48.920%0.20425%0.249CC..  trans-103.6135.7175.8-68.9165.2000108.8H232 A289 A290 F293H232-L234 PolarHBondContact O-N 3.12Å; L234-A289 HydrophobicContact CD1-CB 4.07Å; L234-A289 HydrophobicContact CD2-CB 3.79Å; L234-A290 HydrophobicContact CD2-CB 4.1Å; L234-F293 HydrophobicContact CB-CE2 4.49Å
235G58Low75.4Confident22 Ų2252.2 Ų52.223%0.22727%0.272CS..SBendtrans144.9160.8174.400000114.8Q237 V238G235-Q237 PolarHBondContact O-N 2.99Å; G235-Q237 VanDerWaalsContact O-N 3.11Å; G235-V238 WeakPolarHBondContact O-CB 3.42Å; G235-V238 WeakPolarHBondContact O-CG2 3.29Å; G235-V238 PolarHBondContact O-N 2.94Å
236E52.6Low75Confident180 Ų18050 Ų5084%0.84126%0.262SS*.THydrogen-bonded Turntrans-61.7-21.4-174.4-67.6-174.4166.800114.7F293E236-F293 HydrophobicContact CB-CD1 4.5Å; E236-F293 HydrophobicContact CG-CD1 3.71Å; E236-F293 HydrophobicContact CG-CE1 4.1Å
237Q55.6Low74.8Confident183 Ų18349.9 Ų49.986%0.85526%0.261SS*.THydrogen-bonded Turntrans-94.81.1-178-60-163.422.100114.1G235 K239G235-Q237 PolarHBondContact O-N 2.99Å; G235-Q237 VanDerWaalsContact O-N 3.11Å; Q237-K239 PolarHBondContact O-N 3.23Å
238V63.1Low74.7Confident36 Ų3654.6 Ų54.622%0.21829%0.286CS..  trans-73.898.6-176.8-178.50000109.6Q233 G235 K294Q233-V238 HydrophobicContact CB-CG1 4.34Å; Q233-V238 HydrophobicContact CB-CG2 3.93Å; Q233-V238 WeakPolarHBondContact O-CG2 3.26Å; G235-V238 WeakPolarHBondContact O-CB 3.42Å; G235-V238 WeakPolarHBondContact O-CG2 3.29Å; G235-V238 PolarHBondContact O-N 2.94Å; V238-K294 WeakPolarHBondContact O-CE 3.36Å
239K67.4Low74.8Confident161 Ų16158.1 Ų58.170%0.730%0.3SS*.  trans-76.6151.2173.6-66.4-179.4-176.8176.50110P210 Q237 L241P210-K239 HydrophobicContact CG-CB 4.3Å; Q237-K239 PolarHBondContact O-N 3.23Å; K239-L241 PolarHBondContact O-N 2.67Å
240S75.9Confident75.1Confident38 Ų3858.1 Ų58.127%0.26630%0.3SS..  trans-55.9135.6170-176.70000110.6V242 D262S240-V242 PolarHBondContact O-N 3.18Å; S240-V242 PolarHBondContact OG-N 2.72Å; S240-V242 PolarHBondContact OG-O 2.69Å; S240-D262 VanDerWaalsContact CA-OD2 3.24Å; S240-D262 WeakPolarHBondContact CA-OD2 3.43Å; S240-D262 VanDerWaalsContact CB-CG 3.5Å; S240-D262 WeakPolarHBondContact CB-OD2 3.31Å; S240-D262 PolarHBondContact OG-OD2 3.21Å
241L76.8Confident75.6Confident17 Ų1760 Ų609%0.08931%0.314CS..SBendtrans-71.7-15.7175.9-67.1-178.9000112.4V208 P210 L229 D231 K239V208-L241 HydrophobicContact CG1-CD1 4.35Å; V208-L241 HydrophobicContact CG1-CD2 4.42Å; P210-L241 HydrophobicContact CG-CD2 4.29Å; L229-L241 HydrophobicContact CB-CD1 4.33Å; L229-L241 HydrophobicContact CD1-CB 4.41Å; D231-L241 HydrophobicContact CB-CD1 3.82Å; K239-L241 PolarHBondContact O-N 2.67Å
242V81.9Confident76.7Confident13 Ų1362.1 Ų62.18%0.07932%0.324CS..  trans-121.4115.3-177.5-1760000110.1L213 L227 L229 S240 L247 L258L213-V242 HydrophobicContact CD1-CG1 4.4Å; L213-V242 HydrophobicContact CD1-CG2 3.9Å; L227-V242 HydrophobicContact CD2-CG2 4.46Å; L229-V242 HydrophobicContact CD1-CG2 3.67Å; S240-V242 PolarHBondContact O-N 3.18Å; S240-V242 PolarHBondContact OG-N 2.72Å; S240-V242 PolarHBondContact OG-O 2.69Å; V242-L247 HydrophobicContact CG1-CB 4.13Å; V242-L247 HydrophobicContact CG1-CD1 4.34Å; V242-L258 HydrophobicContact CB-CD2 4.35Å; V242-L258 HydrophobicContact CG2-CD2 3.6Å
243S85.1Confident78.2Confident49 Ų4960.7 Ų60.734%0.34332%0.318SS..  trans-85.4154.9167.880.20000111S245 E246 L247S243-S245 VanDerWaalsContact C-N 3.25Å; S243-S245 PolarHBondContact O-N 3.39Å; S243-S245 PolarHBondContact OG-OG 3.24Å; S243-E246 PolarHBondContact O-N 2.82Å; S243-E246 VanDerWaalsContact OG-CG 3.32Å; S243-E246 WeakPolarHBondContact OG-CG 3.28Å; S243-E246 PolarHBondContact OG-N 2.92Å; S243-L247 PolarHBondContact O-N 3.4Å; S243-L247 VanDerWaalsContact O-N 3.12Å
244L86.5Confident79.8Confident60 Ų6062.1 Ų62.131%0.31432%0.32SS..Hα-helixtrans-59-37.1174.1-71.1163.3000112.5E246 L247 D248 E266 L267 L270L244-E246 VanDerWaalsContact C-N 3.34Å; L244-E246 PolarHBondContact O-N 3.36Å; L244-L247 PolarHBondContact O-N 3Å; L244-D248 PolarHBondContact O-N 3.23Å; L244-E266 HydrophobicContact CD1-CB 3.72Å; L244-E266 WeakPolarHBondContact CD1-OE2 3.27Å; L244-E266 HydrophobicContact CD2-CB 4.09Å; L244-L267 HydrophobicContact CD2-CB 3.96Å; L244-L267 HydrophobicContact CD2-CD1 3.51Å; L244-L267 HydrophobicContact CD2-CG 4.38Å; L244-L267 HydrophobicContact CG-CD1 4.48Å; L244-L270 HydrophobicContact CD2-CD2 4.22Å
245S87.8Confident81.5Confident71 Ų7160.9 Ų60.950%0.49731%0.314SS..Hα-helixtrans-64.1-40.1178.859.60000111.9S243 D248S243-S245 VanDerWaalsContact C-N 3.25Å; S243-S245 PolarHBondContact O-N 3.39Å; S243-S245 PolarHBondContact OG-OG 3.24Å; S245-D248 PolarHBondContact O-N 3.2Å
246E88.1Confident83.2Confident30 Ų3059.8 Ų59.814%0.1430%0.304CS..Hα-helixtrans-70.6-43.1179.3-64.4-26.1115.800111.3L213 S214 S243 L244 D248 R249L213-E246 HydrophobicContact CB-CB 4.18Å; L213-E246 HydrophobicContact CB-CG 4.13Å; S214-E246 WeakPolarHBondContact CA-OE2 3.36Å; S243-E246 PolarHBondContact O-N 2.82Å; S243-E246 VanDerWaalsContact OG-CG 3.32Å; S243-E246 WeakPolarHBondContact OG-CG 3.28Å; S243-E246 PolarHBondContact OG-N 2.92Å; L244-E246 VanDerWaalsContact C-N 3.34Å; L244-E246 PolarHBondContact O-N 3.36Å; E246-D248 PolarHBondContact O-N 3.35Å; E246-R249 PolarHBondContact O-N 3.06Å; E246-R249 VanDerWaalsContact O-N 3.15Å; E246-R249 IonicContact OE2-CZ 3.27Å; E246-R249 IonicContact OE2-NE 2.96Å; E246-R249 PolarHBondContact OE2-NE 3.07Å; E246-R249 IonicContact OE2-NH2 3.31Å; E246-R249 PolarHBondContact OE2-NH2 2.87Å
247L89.7Confident85Confident0 Ų051.2 Ų51.20%026%0.264CS..Hα-helixtrans-66.6-20.5175.2-155.766.8000111.9L227 V242 S243 L244 R249 L250 L253 L256 L267 L270 L271 R276L227-L247 HydrophobicContact CD2-CD1 4.16Å; V242-L247 HydrophobicContact CG1-CB 4.13Å; V242-L247 HydrophobicContact CG1-CD1 4.34Å; S243-L247 PolarHBondContact O-N 3.4Å; S243-L247 VanDerWaalsContact O-N 3.12Å; L244-L247 PolarHBondContact O-N 3Å; L247-R249 VanDerWaalsContact C-N 3.31Å; L247-R249 PolarHBondContact O-N 3.33Å; L247-L250 HydrophobicContact CD1-CB 4.36Å; L247-L250 HydrophobicContact CD1-CD1 3.84Å; L247-L250 PolarHBondContact O-N 3.19Å; L247-L253 HydrophobicContact CD1-CD2 3.8Å; L247-L256 HydrophobicContact CD2-CD2 4.28Å; L247-L267 HydrophobicContact CB-CD1 4.32Å; L247-L267 HydrophobicContact CD2-CD1 3.31Å; L247-L267 HydrophobicContact CD2-CD2 4.37Å; L247-L267 HydrophobicContact CD2-CG 3.91Å; L247-L267 HydrophobicContact CG-CD1 4.42Å; L247-L270 HydrophobicContact CB-CD2 4.21Å; L247-L271 HydrophobicContact CD2-CD1 4.44Å; L247-L271 HydrophobicContact CD2-CD2 4.04Å; L247-L271 HydrophobicContact CD2-CG 4.29Å; L247-R276 PolarHBondContact O-NH1 3.18Å; L247-R276 PolarHBondContact O-NH2 3.41Å
248D91.3Very high86.6Confident98 Ų9842.6 Ų42.652%0.52422%0.223SC..Hα-helixtrans-63.7-32.1171.4-156.249.8000115.7L244 S245 E246 L250 L270 R276L244-D248 PolarHBondContact O-N 3.23Å; S245-D248 PolarHBondContact O-N 3.2Å; E246-D248 PolarHBondContact O-N 3.35Å; D248-L250 VanDerWaalsContact C-N 3.26Å; D248-L250 PolarHBondContact O-N 3Å; D248-L270 WeakPolarHBondContact OD1-CD1 3.47Å; D248-R276 IonicContact OD1-CZ 2.83Å; D248-R276 IonicContact OD1-NH2 3.91Å; D248-R276 PolarHBondContact OD1-NH2 2.91Å
249R92.1Very high87.8Confident74 Ų7442.2 Ų42.228%0.27922%0.22SC..Hα-helixtrans-72.6-22.8175.4-54.6-167.2-68.6134.92.2112.4L213 S214 L216 A221 E246 L247 S251L213-R249 PolarHBondContact O-NH2 3.04Å; S214-R249 PolarHBondContact O-NH2 3.29Å; L216-R249 PolarHBondContact O-NH1 3.36Å; A221-R249 HydrophobicContact CB-CB 4.17Å; E246-R249 PolarHBondContact O-N 3.06Å; E246-R249 VanDerWaalsContact O-N 3.15Å; E246-R249 IonicContact OE2-CZ 3.27Å; E246-R249 IonicContact OE2-NE 2.96Å; E246-R249 PolarHBondContact OE2-NE 3.07Å; E246-R249 IonicContact OE2-NH2 3.31Å; E246-R249 PolarHBondContact OE2-NH2 2.87Å; L247-R249 VanDerWaalsContact C-N 3.31Å; L247-R249 PolarHBondContact O-N 3.33Å; R249-S251 PolarHBondContact O-N 2.79Å
250L93.3Very high88.8Confident5 Ų534.7 Ų34.73%0.02619%0.187CC..  trans-91.566.3-172.7-54.6-178.5000112.4L216 A221 L224 L227 L247 D248 N252L216-L250 HydrophobicContact CD2-CD2 3.74Å; A221-L250 HydrophobicContact CB-CD2 3.83Å; A221-L250 WeakPolarHBondContact O-CD2 3.45Å; L224-L250 HydrophobicContact CB-CD2 4.17Å; L224-L250 HydrophobicContact CD2-CD1 3.87Å; L224-L250 HydrophobicContact CD2-CD2 3.91Å; L224-L250 HydrophobicContact CD2-CG 4.48Å; L227-L250 HydrophobicContact CD2-CD1 3.92Å; L247-L250 HydrophobicContact CD1-CB 4.36Å; L247-L250 HydrophobicContact CD1-CD1 3.84Å; L247-L250 PolarHBondContact O-N 3.19Å; D248-L250 VanDerWaalsContact C-N 3.26Å; D248-L250 PolarHBondContact O-N 3Å; L250-N252 PolarHBondContact O-N 2.94Å
251S91.4Very high89.4Confident44 Ų4433.9 Ų33.931%0.30818%0.181SC..THydrogen-bonded Turntrans-73.1-21.7-173.259.60000115.3R249 A277R249-S251 PolarHBondContact O-N 2.79Å; S251-A277 PolarHBondContact O-N 3.34Å
252N93.7Very high89.9Confident69 Ų6934 Ų3437%0.36918%0.182SC..THydrogen-bonded Turntrans-98.712.6-177.9-76.2-53.9000114.1E222 L224 L250 R254E222-N252 PolarHBondContact O-ND2 3.12Å; L224-N252 CarbonylContact O-C 3.42Å; L250-N252 PolarHBondContact O-N 2.94Å; N252-R254 PolarHBondContact O-N 2.98Å
253L93.9Very high90.4Very high5 Ų533.4 Ų33.43%0.02618%0.179CC..  trans-65.7126.8-178.8-161.674.6000111.3L227 L247 L256L227-L253 HydrophobicContact CB-CD1 3.73Å; L247-L253 HydrophobicContact CD1-CD2 3.8Å; L253-L256 HydrophobicContact CD2-CB 4Å; L253-L256 HydrophobicContact CD2-CD1 4.02Å; L253-L256 HydrophobicContact CD2-CD2 4.42Å; L253-L256 HydrophobicContact CD2-CG 4.37Å
254R93.4Very high90.7Very high111 Ų11133.2 Ų33.242%0.41918%0.175SC..  trans-116.5-20.5179.5-63.1-178.7-175.2-158.1-0.1112.8Q225 N252 L279 H280 R281Q225-R254 PolarHBondContact O-N 3.46Å; N252-R254 PolarHBondContact O-N 2.98Å; R254-L279 VanDerWaalsContact C-CD1 3.41Å; R254-L279 WeakPolarHBondContact O-CD1 3.2Å; R254-H280 PolarHBondContact O-N 2.78Å; R254-R281 PolarHBondContact O-N 3.04Å; R254-R281 VanDerWaalsContact O-N 3.07Å
255S93.6Very high91.1Very high12 Ų1231.8 Ų31.88%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-136.6129.3179.5-176.10000109.3Q225 H226 L227 R281Q225-S255 PolarHBondContact O-N 2.82Å; H226-S255 WeakPolarHBondContact CA-O 3.41Å; H226-S255 PolarHBondContact CE1-OG 2.67Å; H226-S255 WeakPolarHBondContact ND1-CB 3.28Å; H226-S255 PolarHBondContact ND1-OG 2.71Å; L227-S255 PolarHBondContact N-O 3.31Å; S255-R281 WeakPolarHBondContact CA-O 3.29Å
256L93.5Very high91.4Very high0 Ų035 Ų350%018%0.177CC..EExtended strand (participates in β ladder)trans-131.8133.5179.2-18059.8000109.7L227 L247 L253 L258 L271 L279 R281 L282 S283L227-L256 HydrophobicContact CB-CD1 4.2Å; L227-L256 HydrophobicContact CD2-CD1 4.1Å; L227-L256 HydrophobicContact CG-CD1 4.31Å; L227-L256 CarbonylContact O-C 3.56Å; L227-L256 VanDerWaalsContact O-CA 3.28Å; L227-L256 WeakPolarHBondContact O-CA 3.43Å; L247-L256 HydrophobicContact CD2-CD2 4.28Å; L253-L256 HydrophobicContact CD2-CB 4Å; L253-L256 HydrophobicContact CD2-CD1 4.02Å; L253-L256 HydrophobicContact CD2-CD2 4.42Å; L253-L256 HydrophobicContact CD2-CG 4.37Å; L256-L258 HydrophobicContact CD1-CD1 3.89Å; L256-L258 HydrophobicContact CD1-CD2 4.09Å; L256-L258 HydrophobicContact CD1-CG 3.75Å; L256-L258 HydrophobicContact CD2-CD1 3.76Å; L256-L258 HydrophobicContact CD2-CG 4.35Å; L256-L258 HydrophobicContact CG-CD1 3.92Å; L256-L258 HydrophobicContact CG-CG 3.94Å; L256-L271 HydrophobicContact CD2-CD1 3.8Å; L256-L279 HydrophobicContact CB-CD1 4.36Å; L256-R281 PolarHBondContact N-O 3.46Å; L256-L282 HydrophobicContact CB-CD1 4Å; L256-L282 HydrophobicContact CD2-CD1 4.09Å; L256-L282 HydrophobicContact CG-CD1 4.09Å; L256-L282 CarbonylContact O-C 3.56Å; L256-L282 WeakPolarHBondContact O-CA 2.91Å; L256-S283 PolarHBondContact O-N 3.06Å
257A91.4Very high91.6Very high0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-127127.4168.800000110.8L227 L229 S283L227-A257 PolarHBondContact O-N 2.62Å; L229-A257 PolarHBondContact N-O 3.13Å; A257-S283 WeakPolarHBondContact CA-O 3.38Å
258L89.6Confident91.8Very high2 Ų233.8 Ų33.81%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-148.6165.4-176-63.5175.2000110.9L229 V242 L256 L267 S283 L284 L285L229-L258 HydrophobicContact CB-CD2 4.4Å; V242-L258 HydrophobicContact CB-CD2 4.35Å; V242-L258 HydrophobicContact CG2-CD2 3.6Å; L256-L258 HydrophobicContact CD1-CD1 3.89Å; L256-L258 HydrophobicContact CD1-CD2 4.09Å; L256-L258 HydrophobicContact CD1-CG 3.75Å; L256-L258 HydrophobicContact CD2-CD1 3.76Å; L256-L258 HydrophobicContact CD2-CG 4.35Å; L256-L258 HydrophobicContact CG-CD1 3.92Å; L256-L258 HydrophobicContact CG-CG 3.94Å; L258-L267 HydrophobicContact CD1-CD2 3.74Å; L258-S283 PolarHBondContact N-O 3.01Å; L258-S283 VanDerWaalsContact N-O 3.08Å; L258-L284 WeakPolarHBondContact O-CA 3.42Å; L258-L285 PolarHBondContact O-N 3.25Å
259D87.3Confident92Very high27 Ų2731 Ų3114%0.14417%0.166CC..EExtended strand (participates in β ladder)trans-64.2140.1162.6-61.4-41.3000110.3C261 D262 L285D259-C261 VanDerWaalsContact C-N 3.29Å; D259-C261 PolarHBondContact O-N 3.18Å; D259-D262 PolarHBondContact O-N 2.9Å; D259-D262 VanDerWaalsContact O-N 3.07Å; D259-L285 CarbonylContact C-O 3.53Å; D259-L285 WeakPolarHBondContact CA-O 3.34Å
260F89.4Confident92.1Very high4 Ų429.3 Ų29.32%0.01816%0.162CC..G310 helixtrans-58.8-41.6-175.2-174.1-83000111.7D262 F263 L284 L285 L286 L296 T299 V332F260-D262 PolarHBondContact O-N 2.9Å; F260-F263 WeakPolarHBondContact O-CB 2.99Å; F260-F263 PolarHBondContact O-N 3.32Å; F260-L284 HydrophobicContact CB-CB 4.43Å; F260-L284 HydrophobicContact CD2-CB 3.86Å; F260-L284 HydrophobicContact CD2-CD1 3.65Å; F260-L284 HydrophobicContact CD2-CG 4.29Å; F260-L284 HydrophobicContact CE2-CD1 3.76Å; F260-L285 WeakPolarHBondContact CB-O 3.33Å; F260-L285 PolarHBondContact N-O 2.92Å; F260-L286 HydrophobicContact CB-CB 4.07Å; F260-L286 HydrophobicContact CB-CD1 3.83Å; F260-L286 HydrophobicContact CD1-CD1 4.03Å; F260-L286 HydrophobicContact CG-CD1 4.02Å; F260-L296 HydrophobicContact CD1-CD2 3.79Å; F260-L296 HydrophobicContact CE1-CD2 3.92Å; F260-T299 HydrophobicContact CD1-CG2 4.19Å; F260-T299 HydrophobicContact CE1-CG2 3.86Å; F260-V332 HydrophobicContact CD1-CG2 3.99Å; F260-V332 HydrophobicContact CD2-CG1 3.88Å; F260-V332 HydrophobicContact CE1-CB 4.3Å; F260-V332 HydrophobicContact CE1-CG1 4.12Å; F260-V332 HydrophobicContact CE1-CG2 3.52Å; F260-V332 HydrophobicContact CE2-CB 4.27Å; F260-V332 HydrophobicContact CE2-CG1 3.27Å; F260-V332 HydrophobicContact CE2-CG2 4.27Å; F260-V332 HydrophobicContact CZ-CB 3.94Å; F260-V332 HydrophobicContact CZ-CG1 3.42Å; F260-V332 VanDerWaalsContact CZ-CG1 3.42Å; F260-V332 HydrophobicContact CZ-CG2 3.69Å
261C87.6Confident92.1Very high21 Ų2129.5 Ų29.514%0.14216%0.164CC..G310 helixtrans-65.4-22.8-179.2-58.80000113.3D259 F263 L291 K294D259-C261 VanDerWaalsContact C-N 3.29Å; D259-C261 PolarHBondContact O-N 3.18Å; C261-F263 VanDerWaalsContact C-N 3.33Å; C261-L291 VanDerWaalsContact SG-CD2 3.56Å; C261-K294 HydrophobicContact CB-CB 3.82Å; C261-K294 HydrophobicContact CB-CD 4.19Å; C261-K294 PolarHBondContact SG-O 3.32Å
262D88Confident92.3Very high19 Ų1928 Ų2810%0.10215%0.154CC..G310 helixtrans-83.1-12.8176.7-72.64.1000111.9S240 D259 F260 T264 K294S240-D262 VanDerWaalsContact CA-OD2 3.24Å; S240-D262 WeakPolarHBondContact CA-OD2 3.43Å; S240-D262 VanDerWaalsContact CB-CG 3.5Å; S240-D262 WeakPolarHBondContact CB-OD2 3.31Å; S240-D262 PolarHBondContact OG-OD2 3.21Å; D259-D262 PolarHBondContact O-N 2.9Å; D259-D262 VanDerWaalsContact O-N 3.07Å; F260-D262 PolarHBondContact O-N 2.9Å; D262-T264 VanDerWaalsContact C-N 3.34Å; D262-T264 PolarHBondContact O-N 2.95Å; D262-K294 IonicContact OD1-NZ 3.51Å; D262-K294 PolarHBondContact OD1-NZ 3.31Å; D262-K294 IonicContact OD2-NZ 3.73Å
263F91.8Very high92.2Very high1 Ų126.4 Ų26.40%0.00415%0.148CC..  trans-81.975.5175.8-167.2-102.4000112F260 C261 L267 C268 L271 L282 L284 A300 W305 L308F260-F263 WeakPolarHBondContact O-CB 2.99Å; F260-F263 PolarHBondContact O-N 3.32Å; C261-F263 VanDerWaalsContact C-N 3.33Å; F263-L267 HydrophobicContact CD2-CD2 3.86Å; F263-L267 HydrophobicContact CE2-CD2 4.43Å; F263-C268 HydrophobicContact CE1-CB 3.86Å; F263-C268 HydrophobicContact CZ-CB 3.78Å; F263-L271 HydrophobicContact CE2-CD1 3.78Å; F263-L282 HydrophobicContact CD2-CD1 4.29Å; F263-L282 HydrophobicContact CD2-CD2 4.29Å; F263-L282 HydrophobicContact CE1-CD2 4.11Å; F263-L282 HydrophobicContact CE2-CD1 4.09Å; F263-L282 HydrophobicContact CE2-CD2 3.69Å; F263-L282 HydrophobicContact CZ-CD2 3.6Å; F263-L284 HydrophobicContact CB-CD2 3.95Å; F263-L284 HydrophobicContact CD2-CD2 4.31Å; F263-L284 HydrophobicContact CG-CD2 4.08Å; F263-A300 HydrophobicContact CD1-CB 3.81Å; F263-A300 HydrophobicContact CE1-CB 3.62Å; F263-A300 PolarHBondContact O-N 3.05Å; F263-W305 HydrophobicContact CD1-CH2 4.21Å; F263-W305 AromaticContact CD1-CZ2 3.94Å; F263-W305 HydrophobicContact CD1-CZ2 3.94Å; F263-W305 AromaticContact CE1-CH2 3.57Å; F263-W305 HydrophobicContact CE1-CH2 3.57Å; F263-W305 AromaticContact CE1-CZ2 3.52Å; F263-W305 HydrophobicContact CE1-CZ2 3.52Å; F263-W305 HydrophobicContact CE1-CZ3 4.24Å; F263-W305 HydrophobicContact CZ-CH2 4.15Å; F263-L308 HydrophobicContact CZ-CD2 4.12Å
264T92.3Very high91.8Very high44 Ų4431.6 Ų31.627%0.2718%0.182SC..BIsolated β-bridgetrans-76.2162.6-177.768.20000113.4D262 E266 L267 C268 G298D262-T264 VanDerWaalsContact C-N 3.34Å; D262-T264 PolarHBondContact O-N 2.95Å; T264-E266 PolarHBondContact O-N 3.31Å; T264-L267 WeakPolarHBondContact O-CB 3.26Å; T264-L267 PolarHBondContact O-N 3.17Å; T264-L267 VanDerWaalsContact O-N 3.13Å; T264-L267 PolarHBondContact OG1-N 2.71Å; T264-C268 PolarHBondContact O-N 3.26Å; T264-G298 WeakPolarHBondContact CA-O 3.44Å
265S93.9Very high91.5Very high31 Ų3137.3 Ų37.322%0.21720%0.204CC..Hα-helixtrans-54.7-38.6170.6-74.20000112.8C268 G269 G298 T299 D304S265-C268 PolarHBondContact O-N 3.49Å; S265-G269 PolarHBondContact O-N 3.15Å; S265-G298 PolarHBondContact N-O 3.32Å; S265-T299 PolarHBondContact OG-O 3.09Å; S265-D304 WeakPolarHBondContact CB-OD2 3.48Å; S265-D304 PolarHBondContact OG-OD2 2.97Å
266E93.6Very high91.3Very high137 Ų13738 Ų3864%0.6421%0.205SC*.Hα-helixtrans-64.8-41.7177.7-63.6-178.7173.700111.3L244 T264 G269 L270L244-E266 HydrophobicContact CD1-CB 3.72Å; L244-E266 WeakPolarHBondContact CD1-OE2 3.27Å; L244-E266 HydrophobicContact CD2-CB 4.09Å; T264-E266 PolarHBondContact O-N 3.31Å; E266-G269 PolarHBondContact O-N 3.42Å; E266-L270 WeakPolarHBondContact O-CB 3.48Å; E266-L270 PolarHBondContact O-N 3.39Å
267L93.1Very high91.2Very high6 Ų639 Ų393%0.03121%0.212CC..Hα-helixtrans-65.8-43.3176.5-162.372.2000111.4L244 L247 L258 F263 T264 L270 L271L244-L267 HydrophobicContact CD2-CB 3.96Å; L244-L267 HydrophobicContact CD2-CD1 3.51Å; L244-L267 HydrophobicContact CD2-CG 4.38Å; L244-L267 HydrophobicContact CG-CD1 4.48Å; L247-L267 HydrophobicContact CB-CD1 4.32Å; L247-L267 HydrophobicContact CD2-CD1 3.31Å; L247-L267 HydrophobicContact CD2-CD2 4.37Å; L247-L267 HydrophobicContact CD2-CG 3.91Å; L247-L267 HydrophobicContact CG-CD1 4.42Å; L258-L267 HydrophobicContact CD1-CD2 3.74Å; F263-L267 HydrophobicContact CD2-CD2 3.86Å; F263-L267 HydrophobicContact CE2-CD2 4.43Å; T264-L267 WeakPolarHBondContact O-CB 3.26Å; T264-L267 PolarHBondContact O-N 3.17Å; T264-L267 VanDerWaalsContact O-N 3.13Å; T264-L267 PolarHBondContact OG1-N 2.71Å; L267-L270 WeakPolarHBondContact O-CB 3.27Å; L267-L270 PolarHBondContact O-N 3.08Å; L267-L271 HydrophobicContact CG-CD1 4.5Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 2.96Å
268C94.6Very high91.3Very high0 Ų041.8 Ų41.80%023%0.231CC..Hα-helixtrans-62.8-44.4176.8-170.20000111.3F263 T264 S265 L270 L271 A272 A300 D304F263-C268 HydrophobicContact CE1-CB 3.86Å; F263-C268 HydrophobicContact CZ-CB 3.78Å; T264-C268 PolarHBondContact O-N 3.26Å; S265-C268 PolarHBondContact O-N 3.49Å; C268-L270 VanDerWaalsContact C-N 3.3Å; C268-L270 PolarHBondContact O-N 3.32Å; C268-L271 PolarHBondContact O-N 2.68Å; C268-A272 WeakPolarHBondContact O-CB 3.18Å; C268-A272 PolarHBondContact O-N 2.83Å; C268-A300 HydrophobicContact CB-CB 3.84Å; C268-D304 HydrophobicContact CB-CB 4.04Å; C268-D304 PolarHBondContact SG-O 2.83Å
269G94.4Very high91.5Very high39 Ų3941.8 Ų41.840%0.40223%0.231SC..Hα-helixtrans-61.7-38.2175.100000112.7S265 E266 A272 S273S265-G269 PolarHBondContact O-N 3.15Å; E266-G269 PolarHBondContact O-N 3.42Å; G269-A272 PolarHBondContact O-N 3.28Å; G269-S273 PolarHBondContact O-N 2.85Å
270L94.2Very high91.8Very high38 Ų3844 Ų4420%0.19924%0.24CC..Hα-helixtrans-62.2-47.2174.9-17367.9000111.8L244 L247 D248 E266 L267 C268 A272 S273 R276L244-L270 HydrophobicContact CD2-CD2 4.22Å; L247-L270 HydrophobicContact CB-CD2 4.21Å; D248-L270 WeakPolarHBondContact OD1-CD1 3.47Å; E266-L270 WeakPolarHBondContact O-CB 3.48Å; E266-L270 PolarHBondContact O-N 3.39Å; L267-L270 WeakPolarHBondContact O-CB 3.27Å; L267-L270 PolarHBondContact O-N 3.08Å; C268-L270 VanDerWaalsContact C-N 3.3Å; C268-L270 PolarHBondContact O-N 3.32Å; L270-A272 VanDerWaalsContact C-N 3.31Å; L270-A272 PolarHBondContact O-N 2.73Å; L270-S273 WeakPolarHBondContact O-CB 3.44Å; L270-S273 PolarHBondContact O-N 2.8Å; L270-R276 VanDerWaalsContact O-CD 3.22Å; L270-R276 WeakPolarHBondContact O-CD 3.25Å; L270-R276 PolarHBondContact O-NE 2.75Å; L270-R276 VanDerWaalsContact O-NE 3.14Å
271L93.6Very high91.9Very high10 Ų1045.5 Ų45.55%0.05225%0.245CC..Hα-helixtrans-69.9-26.6177.9-68.9170.6000112.9L247 L256 F263 L267 C268 S273 L308L247-L271 HydrophobicContact CD2-CD1 4.44Å; L247-L271 HydrophobicContact CD2-CD2 4.04Å; L247-L271 HydrophobicContact CD2-CG 4.29Å; L256-L271 HydrophobicContact CD2-CD1 3.8Å; F263-L271 HydrophobicContact CE2-CD1 3.78Å; L267-L271 HydrophobicContact CG-CD1 4.5Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 2.96Å; C268-L271 PolarHBondContact O-N 2.68Å; L271-S273 PolarHBondContact O-N 3.3Å; L271-L308 HydrophobicContact CB-CD1 3.88Å
272A94.4Very high92.2Very high13 Ų1344.5 Ų44.511%0.10724%0.239CC..THydrogen-bonded Turntrans-77.63.1172.300000113.4C268 G269 L270 A307 L308 V311C268-A272 WeakPolarHBondContact O-CB 3.18Å; C268-A272 PolarHBondContact O-N 2.83Å; G269-A272 PolarHBondContact O-N 3.28Å; L270-A272 VanDerWaalsContact C-N 3.31Å; L270-A272 PolarHBondContact O-N 2.73Å; A272-A307 HydrophobicContact CB-CB 4.12Å; A272-L308 HydrophobicContact CB-CB 4.28Å; A272-L308 HydrophobicContact CB-CD1 4.4Å; A272-V311 WeakPolarHBondContact O-CG2 3.14Å
273S92.3Very high92.4Very high34 Ų3443.6 Ų43.624%0.23823%0.234CC..  trans-71.1131.1177.3-179.40000111.7G269 L270 L271 R275 R276G269-S273 PolarHBondContact O-N 2.85Å; L270-S273 WeakPolarHBondContact O-CB 3.44Å; L270-S273 PolarHBondContact O-N 2.8Å; L271-S273 PolarHBondContact O-N 3.3Å; S273-R275 PolarHBondContact O-N 3Å; S273-R276 PolarHBondContact O-N 3.44Å
274P85.9Confident92.4Very high114 Ų11443.6 Ų43.674%0.7423%0.234SC*.THydrogen-bonded Turntrans-69.4-5.618030-36.3000113.8R276P274-R276 VanDerWaalsContact C-N 3.26Å
275R86.9Confident92.2Very high232 Ų23241.7 Ų41.788%0.87522%0.222SC*.THydrogen-bonded Turntrans-81.5-5.8177.3-63-174.6179.6-171.70.4113.2S273S273-R275 PolarHBondContact O-N 3Å
276R90.3Very high91.9Very high27 Ų2740.2 Ų40.210%0.10221%0.212CC..SBendtrans-107.9161.2-175.4-66.3175.6175.7-110.31111.6L247 D248 L270 S273 P274L247-R276 PolarHBondContact O-NH1 3.18Å; L247-R276 PolarHBondContact O-NH2 3.41Å; D248-R276 IonicContact OD1-CZ 2.83Å; D248-R276 IonicContact OD1-NH2 3.91Å; D248-R276 PolarHBondContact OD1-NH2 2.91Å; L270-R276 VanDerWaalsContact O-CD 3.22Å; L270-R276 WeakPolarHBondContact O-CD 3.25Å; L270-R276 PolarHBondContact O-NE 2.75Å; L270-R276 VanDerWaalsContact O-NE 3.14Å; S273-R276 PolarHBondContact O-N 3.44Å; P274-R276 VanDerWaalsContact C-N 3.26Å
277A91.2Very high91.5Very high19 Ų1934.9 Ų34.916%0.15719%0.187CC..PPolyproline II helixtrans-61.1138.2165.600000109.9S251 L279S251-A277 PolarHBondContact O-N 3.34Å; A277-L279 PolarHBondContact O-N 3.31Å
278P92.8Very high91Very high60 Ų6035.3 Ų35.339%0.3919%0.193SC..PPolyproline II helixtrans-65.9136.1176.427.2-33.6000110.1
279L94.1Very high90.2Very high2 Ų237.1 Ų37.11%0.0121%0.209CC..PPolyproline II helixtrans-73.5135.1179.1-159.474000109.3R254 L256 A277 R281 L282 S312 L315R254-L279 VanDerWaalsContact C-CD1 3.41Å; R254-L279 WeakPolarHBondContact O-CD1 3.2Å; L256-L279 HydrophobicContact CB-CD1 4.36Å; A277-L279 PolarHBondContact O-N 3.31Å; L279-R281 WeakPolarHBondContact CG-O 3.19Å; L279-L282 HydrophobicContact CD2-CB 3.9Å; L279-L282 HydrophobicContact CD2-CD1 4.36Å; L279-S312 PolarHBondContact N-OG 3.27Å; L279-S312 WeakPolarHBondContact O-CB 2.92Å; L279-L315 HydrophobicContact CB-CD1 4.11Å; L279-L315 HydrophobicContact CD2-CD1 3.83Å; L279-L315 HydrophobicContact CG-CD1 4.03Å
280H93Very high89.5Confident74 Ų7436.5 Ų36.534%0.34320%0.199SC..  trans-100-30.3175-66.5-34.3000111.7R254 R316R254-H280 PolarHBondContact O-N 2.78Å; H280-R316 PolarHBondContact O-N 3.04Å
281R91.9Very high88.9Confident34 Ų3435.7 Ų35.713%0.12820%0.195CC..EExtended strand (participates in β ladder)trans-141.6133.8-174.5-180177.9-52.9-66.817.8111.5R254 S255 L256 L279 R316 Y318 G494R254-R281 PolarHBondContact O-N 3.04Å; R254-R281 VanDerWaalsContact O-N 3.07Å; S255-R281 WeakPolarHBondContact CA-O 3.29Å; L256-R281 PolarHBondContact N-O 3.46Å; L279-R281 WeakPolarHBondContact CG-O 3.19Å; R281-R316 WeakPolarHBondContact CA-O 3.43Å; R281-Y318 PolarHBondContact NH1-OH 3.36Å; R281-G494 PolarHBondContact NE-O 3.05Å; R281-G494 PolarHBondContact NH2-O 3.25Å
282L94.2Very high88.2Confident0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-130.6122.3168.4-178.761.9000109L256 F263 L279 L284 W305 L315 R316 V317 Y318L256-L282 HydrophobicContact CB-CD1 4Å; L256-L282 HydrophobicContact CD2-CD1 4.09Å; L256-L282 HydrophobicContact CG-CD1 4.09Å; L256-L282 CarbonylContact O-C 3.56Å; L256-L282 WeakPolarHBondContact O-CA 2.91Å; F263-L282 HydrophobicContact CD2-CD1 4.29Å; F263-L282 HydrophobicContact CD2-CD2 4.29Å; F263-L282 HydrophobicContact CE1-CD2 4.11Å; F263-L282 HydrophobicContact CE2-CD1 4.09Å; F263-L282 HydrophobicContact CE2-CD2 3.69Å; F263-L282 HydrophobicContact CZ-CD2 3.6Å; L279-L282 HydrophobicContact CD2-CB 3.9Å; L279-L282 HydrophobicContact CD2-CD1 4.36Å; L282-L284 HydrophobicContact CD1-CD2 3.9Å; L282-L284 HydrophobicContact CD1-CG 4.46Å; L282-L284 HydrophobicContact CD2-CD1 4.19Å; L282-L284 HydrophobicContact CD2-CD2 4.34Å; L282-L284 HydrophobicContact CD2-CG 4.37Å; L282-L284 HydrophobicContact CG-CD1 4.34Å; L282-L284 HydrophobicContact CG-CD2 3.97Å; L282-L284 HydrophobicContact CG-CG 4Å; L282-W305 HydrophobicContact CD2-CH2 3.56Å; L282-W305 HydrophobicContact CD2-CZ3 3.84Å; L282-L315 HydrophobicContact CB-CD1 4.07Å; L282-R316 PolarHBondContact N-O 3.27Å; L282-V317 HydrophobicContact CB-CG2 4.24Å; L282-V317 HydrophobicContact CD2-CG2 4.48Å; L282-V317 CarbonylContact O-C 3.55Å; L282-V317 VanDerWaalsContact O-CA 3.29Å; L282-V317 WeakPolarHBondContact O-CA 3.32Å; L282-Y318 PolarHBondContact O-N 3.22Å
283S92.3Very high87.4Confident1 Ų146.3 Ų46.31%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-114.7115.6-177.7-67.90000108.1L256 A257 L258 Y318 F491L256-S283 PolarHBondContact O-N 3.06Å; A257-S283 WeakPolarHBondContact CA-O 3.38Å; L258-S283 PolarHBondContact N-O 3.01Å; L258-S283 VanDerWaalsContact N-O 3.08Å; S283-Y318 CarbonylContact C-O 3.58Å; S283-Y318 WeakPolarHBondContact CA-O 3.39Å; S283-F491 VanDerWaalsContact C-CZ 3.44Å; S283-F491 VanDerWaalsContact CB-CZ 3.41Å; S283-F491 PolarHBondContact OG-O 3.11Å
284L91.9Very high86.9Confident0 Ų046.7 Ų46.70%024%0.239CC..EExtended strand (participates in β ladder)trans-117.1120.8-175.3-58.6173.9000111.2L258 F260 F263 L282 W305 V317 Y318 V319 M320 F491L258-L284 WeakPolarHBondContact O-CA 3.42Å; F260-L284 HydrophobicContact CB-CB 4.43Å; F260-L284 HydrophobicContact CD2-CB 3.86Å; F260-L284 HydrophobicContact CD2-CD1 3.65Å; F260-L284 HydrophobicContact CD2-CG 4.29Å; F260-L284 HydrophobicContact CE2-CD1 3.76Å; F263-L284 HydrophobicContact CB-CD2 3.95Å; F263-L284 HydrophobicContact CD2-CD2 4.31Å; F263-L284 HydrophobicContact CG-CD2 4.08Å; L282-L284 HydrophobicContact CD1-CD2 3.9Å; L282-L284 HydrophobicContact CD1-CG 4.46Å; L282-L284 HydrophobicContact CD2-CD1 4.19Å; L282-L284 HydrophobicContact CD2-CD2 4.34Å; L282-L284 HydrophobicContact CD2-CG 4.37Å; L282-L284 HydrophobicContact CG-CD1 4.34Å; L282-L284 HydrophobicContact CG-CD2 3.97Å; L282-L284 HydrophobicContact CG-CG 4Å; L284-W305 HydrophobicContact CD1-CH2 4.04Å; L284-W305 HydrophobicContact CD1-CZ2 4.26Å; L284-V317 HydrophobicContact CD1-CG1 4.43Å; L284-Y318 PolarHBondContact N-O 2.87Å; L284-V319 WeakPolarHBondContact O-CA 3.15Å; L284-M320 PolarHBondContact O-N 3.22Å; L284-F491 VanDerWaalsContact N-CZ 3.32Å
285L87.4Confident86.7Confident5 Ų545.4 Ų45.43%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-93.9121.5174.4-179.666.1000109.7F203 L230 L258 D259 F260 M320 L322F203-L285 HydrophobicContact CE1-CD2 4.47Å; F203-L285 HydrophobicContact CZ-CD2 3.7Å; L230-L285 HydrophobicContact CD2-CB 3.97Å; L230-L285 HydrophobicContact CD2-CD2 4.44Å; L258-L285 PolarHBondContact O-N 3.25Å; D259-L285 CarbonylContact C-O 3.53Å; D259-L285 WeakPolarHBondContact CA-O 3.34Å; F260-L285 WeakPolarHBondContact CB-O 3.33Å; F260-L285 PolarHBondContact N-O 2.92Å; L285-M320 HydrophobicContact CD1-CB 4.1Å; L285-M320 HydrophobicContact CD1-CG 3.88Å; L285-M320 HydrophobicContact CD1-SD 3.86Å; L285-L322 HydrophobicContact CD1-CD1 3.95Å; L285-L322 HydrophobicContact CD1-CG 4.2Å
286L87.6Confident86.7Confident0 Ų035.8 Ų35.80%020%0.196CC..EExtended strand (participates in β ladder)trans-112115.5176.8-178.567.2000108.4F260 L291 L296 M320 A321 L322 V324 V332F260-L286 HydrophobicContact CB-CB 4.07Å; F260-L286 HydrophobicContact CB-CD1 3.83Å; F260-L286 HydrophobicContact CD1-CD1 4.03Å; F260-L286 HydrophobicContact CG-CD1 4.02Å; L286-L291 HydrophobicContact CD1-CD1 4.48Å; L286-L291 HydrophobicContact CD1-CD2 4Å; L286-L296 HydrophobicContact CD1-CD2 4.08Å; L286-M320 PolarHBondContact N-O 3.42Å; L286-A321 HydrophobicContact CB-CB 4.41Å; L286-A321 HydrophobicContact CD2-CB 4.37Å; L286-A321 CarbonylContact O-C 3.51Å; L286-A321 VanDerWaalsContact O-CA 3.31Å; L286-A321 WeakPolarHBondContact O-CA 3.34Å; L286-L322 PolarHBondContact O-N 2.96Å; L286-V324 HydrophobicContact CB-CG2 4.37Å; L286-V324 HydrophobicContact CD2-CB 4.34Å; L286-V324 HydrophobicContact CD2-CG1 3.74Å; L286-V324 HydrophobicContact CD2-CG2 3.8Å; L286-V324 HydrophobicContact CG-CG1 4.36Å; L286-V324 HydrophobicContact CG-CG2 3.68Å; L286-V332 HydrophobicContact CD1-CG2 4.38Å; L286-V332 HydrophobicContact CD2-CB 4.4Å; L286-V332 HydrophobicContact CD2-CG1 4.44Å; L286-V332 HydrophobicContact CD2-CG2 3.85Å
287N84.6Confident86.3Confident24 Ų2443.8 Ų43.813%0.12823%0.232CC..EExtended strand (participates in β ladder)trans-114.1119.9179.3-177.8-8.1000109.3A289 A290 L291N287-A289 VanDerWaalsContact C-N 3.29Å; N287-A289 PolarHBondContact O-N 3.02Å; N287-A289 PolarHBondContact OD1-N 2.97Å; N287-A289 VanDerWaalsContact OD1-N 3.1Å; N287-A290 HydrophobicContact CB-CB 4.1Å; N287-A290 WeakPolarHBondContact O-CB 3.42Å; N287-A290 PolarHBondContact O-N 3.41Å; N287-L291 PolarHBondContact O-N 3.46Å
288G82.9Confident86Confident15 Ų1545.2 Ų45.216%0.15525%0.248CC..Hα-helixtrans-57.3-40.3179.800000112.8A290 L291 L322 E323G288-A290 PolarHBondContact O-N 3.32Å; G288-L291 WeakPolarHBondContact O-CB 3.23Å; G288-L291 PolarHBondContact O-N 3Å; G288-L322 PolarHBondContact N-O 2.78Å; G288-E323 WeakPolarHBondContact CA-O 3.47Å
289A78.7Confident85.9Confident39 Ų3943.2 Ų43.232%0.32224%0.235SC..Hα-helixtrans-63.1-27.8176.500000112.8L234 N287 L291L234-A289 HydrophobicContact CD1-CB 4.07Å; L234-A289 HydrophobicContact CD2-CB 3.79Å; N287-A289 VanDerWaalsContact C-N 3.29Å; N287-A289 PolarHBondContact O-N 3.02Å; N287-A289 PolarHBondContact OD1-N 2.97Å; N287-A289 VanDerWaalsContact OD1-N 3.1Å; A289-L291 VanDerWaalsContact C-N 3.33Å
290A78.8Confident85.8Confident25 Ų2543.2 Ų43.221%0.20724%0.235CC..Hα-helixtrans-77.3-20.2176.800000112.6L234 N287 G288 E292 F293 K294L234-A290 HydrophobicContact CD2-CB 4.1Å; N287-A290 HydrophobicContact CB-CB 4.1Å; N287-A290 WeakPolarHBondContact O-CB 3.42Å; N287-A290 PolarHBondContact O-N 3.41Å; G288-A290 PolarHBondContact O-N 3.32Å; A290-E292 VanDerWaalsContact C-N 3.28Å; A290-E292 PolarHBondContact O-N 3.43Å; A290-F293 PolarHBondContact O-N 3.18Å; A290-K294 PolarHBondContact O-N 3.13Å
291L82.8Confident85.8Confident22 Ų2242.8 Ų42.812%0.11524%0.238CC..Hα-helixtrans-69.2-26-178.3-63.5-178.6000113C261 L286 N287 G288 A289 F293 L296 D328C261-L291 VanDerWaalsContact SG-CD2 3.56Å; L286-L291 HydrophobicContact CD1-CD1 4.48Å; L286-L291 HydrophobicContact CD1-CD2 4Å; N287-L291 PolarHBondContact O-N 3.46Å; G288-L291 WeakPolarHBondContact O-CB 3.23Å; G288-L291 PolarHBondContact O-N 3Å; A289-L291 VanDerWaalsContact C-N 3.33Å; L291-F293 PolarHBondContact O-N 3.13Å; L291-L296 HydrophobicContact CD2-CD2 3.65Å; L291-L296 HydrophobicContact CD2-CG 3.89Å; L291-D328 HydrophobicContact CD1-CB 3.9Å; L291-D328 VanDerWaalsContact CD1-OD2 3.27Å; L291-D328 WeakPolarHBondContact CD1-OD2 3.15Å
292E78.7Confident86Confident163 Ų16343.3 Ų43.376%0.76224%0.242SC*.THydrogen-bonded Turntrans-60.2-36.5172.6-62.9-169.5167.600111.8A290A290-E292 VanDerWaalsContact C-N 3.28Å; A290-E292 PolarHBondContact O-N 3.43Å
293F77.9Confident86.1Confident82 Ų8248.7 Ų48.736%0.3627%0.27SS..THydrogen-bonded Turntrans-99.2-32.7-176.3-52.7-71.8000113.1L234 E236 A290 L291L234-F293 HydrophobicContact CB-CE2 4.49Å; E236-F293 HydrophobicContact CB-CD1 4.5Å; E236-F293 HydrophobicContact CG-CD1 3.71Å; E236-F293 HydrophobicContact CG-CE1 4.1Å; A290-F293 PolarHBondContact O-N 3.18Å; L291-F293 PolarHBondContact O-N 3.13Å
294K81.3Confident86.3Confident42 Ų4250.3 Ų50.318%0.18328%0.279CS..SBendtrans-124.187.3-178.2-67.9-174.4179.5-176.60109.8V238 C261 D262 A290V238-K294 WeakPolarHBondContact O-CE 3.36Å; C261-K294 HydrophobicContact CB-CB 3.82Å; C261-K294 HydrophobicContact CB-CD 4.19Å; C261-K294 PolarHBondContact SG-O 3.32Å; D262-K294 IonicContact OD1-NZ 3.51Å; D262-K294 PolarHBondContact OD1-NZ 3.31Å; D262-K294 IonicContact OD2-NZ 3.73Å; A290-K294 PolarHBondContact O-N 3.13Å
295P82.1Confident86.5Confident87 Ų8750.3 Ų50.357%0.56528%0.279SS*.  trans-66.2153.9-178.827.9-35.1000111.4K297P295-K297 PolarHBondContact O-N 3.13Å
296L85.8Confident86.9Confident30 Ų3054.3 Ų54.316%0.15730%0.296CS..SBendtrans-63.9-0.5179.8-63.6175.7000114.9F260 L286 L291 G298 T299 D328 C331 V332F260-L296 HydrophobicContact CD1-CD2 3.79Å; F260-L296 HydrophobicContact CE1-CD2 3.92Å; L286-L296 HydrophobicContact CD1-CD2 4.08Å; L291-L296 HydrophobicContact CD2-CD2 3.65Å; L291-L296 HydrophobicContact CD2-CG 3.89Å; L296-G298 PolarHBondContact O-N 3.47Å; L296-T299 WeakPolarHBondContact O-CB 3.43Å; L296-T299 VanDerWaalsContact O-CG2 3.31Å; L296-T299 WeakPolarHBondContact O-CG2 3.23Å; L296-T299 PolarHBondContact O-N 3.5Å; L296-T299 PolarHBondContact O-OG1 3.07Å; L296-D328 HydrophobicContact CD1-CB 4.22Å; L296-C331 HydrophobicContact CD1-CB 3.96Å; L296-V332 HydrophobicContact CD1-CG2 3.98Å; L296-V332 HydrophobicContact CD2-CG2 3.95Å
297K83.6Confident87.3Confident196 Ų19655.9 Ų55.985%0.85231%0.309SS*.THydrogen-bonded Turntrans-71.5124.5-177.1-172.6179.8179.9-178.20110.7P295P295-K297 PolarHBondContact O-N 3.13Å
298G83.7Confident87.8Confident48 Ų4854.7 Ų54.750%0.49530%0.303SS..THydrogen-bonded Turntrans93.10.3-179.200000114.3T264 S265 L296T264-G298 WeakPolarHBondContact CA-O 3.44Å; S265-G298 PolarHBondContact N-O 3.32Å; L296-G298 PolarHBondContact O-N 3.47Å
299T90.3Very high88.4Confident19 Ų1956.1 Ų56.112%0.11731%0.308CS..BIsolated β-bridgetrans-66159.6166.759.90000111.1F260 S265 L296 T301F260-T299 HydrophobicContact CD1-CG2 4.19Å; F260-T299 HydrophobicContact CE1-CG2 3.86Å; S265-T299 PolarHBondContact OG-O 3.09Å; L296-T299 WeakPolarHBondContact O-CB 3.43Å; L296-T299 VanDerWaalsContact O-CG2 3.31Å; L296-T299 WeakPolarHBondContact O-CG2 3.23Å; L296-T299 PolarHBondContact O-N 3.5Å; L296-T299 PolarHBondContact O-OG1 3.07Å; T299-T301 PolarHBondContact O-N 3.37Å
300A91.8Very high89.2Confident1 Ų163.7 Ų63.71%0.00833%0.328CS..PPolyproline II helixtrans-51.9127-175.100000113.6F263 C268 D304 W305F263-A300 HydrophobicContact CD1-CB 3.81Å; F263-A300 HydrophobicContact CE1-CB 3.62Å; F263-A300 PolarHBondContact O-N 3.05Å; C268-A300 HydrophobicContact CB-CB 3.84Å; A300-D304 HydrophobicContact CB-CB 4.21Å; A300-W305 HydrophobicContact CB-CZ2 4.39Å; A300-W305 PolarHBondContact O-NE1 3.49Å
301T94.2Very high90Very high66 Ų6664.9 Ų64.941%0.40533%0.333SS..PPolyproline II helixtrans-81168.7177.469.80000111.4T299 D303 D304 W305T299-T301 PolarHBondContact O-N 3.37Å; T301-D303 PolarHBondContact O-N 2.84Å; T301-D304 WeakPolarHBondContact CB-OD2 2.84Å; T301-D304 PolarHBondContact N-OD2 3.46Å; T301-D304 WeakPolarHBondContact O-CB 3.32Å; T301-D304 PolarHBondContact O-N 3.25Å; T301-D304 VanDerWaalsContact O-N 3.11Å; T301-D304 PolarHBondContact OG1-N 3.05Å; T301-D304 PolarHBondContact OG1-OD2 3.45Å; T301-W305 PolarHBondContact O-N 3.08Å
302E95.5Very high90.5Very high45 Ų4563.9 Ų63.921%0.2133%0.328CS..Hα-helixtrans-57.3-36176.5174.860.2-168.600112.8W305 K306 K334 P335 S336E302-W305 PolarHBondContact O-N 2.97Å; E302-K306 WeakPolarHBondContact O-CG 3.16Å; E302-K306 PolarHBondContact O-N 3.14Å; E302-K306 WeakPolarHBondContact OE1-CE 3.32Å; E302-K306 IonicContact OE1-NZ 3.03Å; E302-K334 WeakPolarHBondContact OE2-CB 3.4Å; E302-P335 VanDerWaalsContact OE2-CD 3.3Å; E302-P335 WeakPolarHBondContact OE2-CD 3.45Å; E302-S336 VanDerWaalsContact OE1-CB 3.23Å; E302-S336 WeakPolarHBondContact OE1-CB 3.43Å; E302-S336 PolarHBondContact OE1-N 3.46Å; E302-S336 PolarHBondContact OE1-OG 2.87Å; E302-S336 PolarHBondContact OE2-N 2.88Å
303D96.4Very high91Very high112 Ų11260.1 Ų60.160%0.59933%0.325SS*.Hα-helixtrans-72.9-32.7178-70.2-28.7000112.1T301 K306 A307T301-D303 PolarHBondContact O-N 2.84Å; D303-K306 PolarHBondContact O-N 3.48Å; D303-K306 IonicContact OD1-NZ 2.78Å; D303-A307 PolarHBondContact O-N 2.91Å
304D96.3Very high91.6Very high35 Ų3562.2 Ų62.219%0.18734%0.339CS..Hα-helixtrans-64.5-44.5173.1-57.8-44.6000110.7S265 C268 A300 T301 K306 A307 L308S265-D304 WeakPolarHBondContact CB-OD2 3.48Å; S265-D304 PolarHBondContact OG-OD2 2.97Å; C268-D304 HydrophobicContact CB-CB 4.04Å; C268-D304 PolarHBondContact SG-O 2.83Å; A300-D304 HydrophobicContact CB-CB 4.21Å; T301-D304 WeakPolarHBondContact CB-OD2 2.84Å; T301-D304 PolarHBondContact N-OD2 3.46Å; T301-D304 WeakPolarHBondContact O-CB 3.32Å; T301-D304 PolarHBondContact O-N 3.25Å; T301-D304 VanDerWaalsContact O-N 3.11Å; T301-D304 PolarHBondContact OG1-N 3.05Å; T301-D304 PolarHBondContact OG1-OD2 3.45Å; D304-K306 PolarHBondContact O-N 3.13Å; D304-A307 WeakPolarHBondContact O-CB 3.32Å; D304-A307 PolarHBondContact O-N 2.85Å; D304-L308 PolarHBondContact O-N 3.15Å
305W96Very high92.3Very high1 Ų160.7 Ų60.70%0.00433%0.333CS..Hα-helixtrans-61.6-44175.3-76.4108.7000112.2F263 L282 L284 A300 T301 E302 A307 L308 V309 V317 L337F263-W305 HydrophobicContact CD1-CH2 4.21Å; F263-W305 AromaticContact CD1-CZ2 3.94Å; F263-W305 HydrophobicContact CD1-CZ2 3.94Å; F263-W305 AromaticContact CE1-CH2 3.57Å; F263-W305 HydrophobicContact CE1-CH2 3.57Å; F263-W305 AromaticContact CE1-CZ2 3.52Å; F263-W305 HydrophobicContact CE1-CZ2 3.52Å; F263-W305 HydrophobicContact CE1-CZ3 4.24Å; F263-W305 HydrophobicContact CZ-CH2 4.15Å; L282-W305 HydrophobicContact CD2-CH2 3.56Å; L282-W305 HydrophobicContact CD2-CZ3 3.84Å; L284-W305 HydrophobicContact CD1-CH2 4.04Å; L284-W305 HydrophobicContact CD1-CZ2 4.26Å; A300-W305 HydrophobicContact CB-CZ2 4.39Å; A300-W305 PolarHBondContact O-NE1 3.49Å; T301-W305 PolarHBondContact O-N 3.08Å; E302-W305 PolarHBondContact O-N 2.97Å; W305-A307 VanDerWaalsContact C-N 3.29Å; W305-A307 PolarHBondContact O-N 3.08Å; W305-L308 HydrophobicContact CE3-CD2 4.14Å; W305-L308 HydrophobicContact CZ3-CD2 3.97Å; W305-L308 PolarHBondContact O-N 3.15Å; W305-V309 WeakPolarHBondContact O-CB 3.14Å; W305-V309 VanDerWaalsContact O-CG2 3.31Å; W305-V309 WeakPolarHBondContact O-CG2 3.24Å; W305-V309 PolarHBondContact O-N 3.31Å; W305-V317 HydrophobicContact CH2-CG2 4.36Å; W305-V317 HydrophobicContact CZ3-CG2 3.94Å; W305-L337 HydrophobicContact CD2-CD1 3.78Å; W305-L337 HydrophobicContact CE3-CD1 3.66Å; W305-L337 HydrophobicContact CH2-CD1 3.25Å; W305-L337 HydrophobicContact CZ2-CD1 3.38Å; W305-L337 HydrophobicContact CZ3-CD1 3.41Å; W305-L337 VanDerWaalsContact CZ3-CD1 3.41Å
306K96.1Very high92.8Very high89 Ų8962.2 Ų62.239%0.38733%0.328SS..Hα-helixtrans-58.7-41.4174.4-75.6172-175.8153.60112.1E302 D303 D304 R310 S336E302-K306 WeakPolarHBondContact O-CG 3.16Å; E302-K306 PolarHBondContact O-N 3.14Å; E302-K306 WeakPolarHBondContact OE1-CE 3.32Å; E302-K306 IonicContact OE1-NZ 3.03Å; D303-K306 PolarHBondContact O-N 3.48Å; D303-K306 IonicContact OD1-NZ 2.78Å; D304-K306 PolarHBondContact O-N 3.13Å; K306-R310 WeakPolarHBondContact O-CB 3.44Å; K306-R310 PolarHBondContact O-N 2.84Å; K306-R310 VanDerWaalsContact O-N 3.11Å; K306-S336 WeakPolarHBondContact CG-OG 3.36Å
307A95.8Very high93.3Very high32 Ų3260.8 Ų60.826%0.26432%0.32SS..Hα-helixtrans-64.8-45.5177.700000111.1A272 D303 D304 W305 R310 V311A272-A307 HydrophobicContact CB-CB 4.12Å; D303-A307 PolarHBondContact O-N 2.91Å; D304-A307 WeakPolarHBondContact O-CB 3.32Å; D304-A307 PolarHBondContact O-N 2.85Å; W305-A307 VanDerWaalsContact C-N 3.29Å; W305-A307 PolarHBondContact O-N 3.08Å; A307-R310 WeakPolarHBondContact O-CB 3.37Å; A307-R310 PolarHBondContact O-N 3.26Å; A307-V311 PolarHBondContact O-N 3.02Å
308L95.8Very high93.7Very high0 Ų051.6 Ų51.60%028%0.28CS..Hα-helixtrans-62.7-48.9179-179.262.2000112.1F263 L271 A272 D304 W305 R310 V311 S312 L315F263-L308 HydrophobicContact CZ-CD2 4.12Å; L271-L308 HydrophobicContact CB-CD1 3.88Å; A272-L308 HydrophobicContact CB-CB 4.28Å; A272-L308 HydrophobicContact CB-CD1 4.4Å; D304-L308 PolarHBondContact O-N 3.15Å; W305-L308 HydrophobicContact CE3-CD2 4.14Å; W305-L308 HydrophobicContact CZ3-CD2 3.97Å; W305-L308 PolarHBondContact O-N 3.15Å; L308-R310 VanDerWaalsContact C-N 3.27Å; L308-R310 PolarHBondContact O-N 2.93Å; L308-V311 PolarHBondContact O-N 2.97Å; L308-S312 WeakPolarHBondContact O-CB 3.07Å; L308-S312 PolarHBondContact O-N 2.79Å; L308-L315 HydrophobicContact CD2-CD2 3.7Å; L308-L315 HydrophobicContact CG-CD2 3.87Å
309V95.7Very high94.1Very high44 Ų4449.4 Ų49.427%0.26726%0.257SS..Hα-helixtrans-64.3-32.3-179.81730000111.8W305 V311 S312 A313 P338W305-V309 WeakPolarHBondContact O-CB 3.14Å; W305-V309 VanDerWaalsContact O-CG2 3.31Å; W305-V309 WeakPolarHBondContact O-CG2 3.24Å; W305-V309 PolarHBondContact O-N 3.31Å; V309-V311 VanDerWaalsContact C-N 3.32Å; V309-V311 PolarHBondContact O-N 3.06Å; V309-S312 CarbonylContact O-C 3.5Å; V309-S312 VanDerWaalsContact O-C 3.3Å; V309-S312 PolarHBondContact O-N 2.75Å; V309-A313 WeakPolarHBondContact O-CA 3.24Å; V309-A313 PolarHBondContact O-N 3.48Å; V309-P338 HydrophobicContact CG2-CG 3.94Å
310R94.9Very high94Very high198 Ų19848.7 Ų48.775%0.74725%0.252SS*.Hα-helixtrans-62.2-39.1175.7-172.3-173.3-57.3154.85.1112.3K306 A307 L308K306-R310 WeakPolarHBondContact O-CB 3.44Å; K306-R310 PolarHBondContact O-N 2.84Å; K306-R310 VanDerWaalsContact O-N 3.11Å; A307-R310 WeakPolarHBondContact O-CB 3.37Å; A307-R310 PolarHBondContact O-N 3.26Å; L308-R310 VanDerWaalsContact C-N 3.27Å; L308-R310 PolarHBondContact O-N 2.93Å
311V95.2Very high93.9Very high51 Ų5148.8 Ų48.831%0.30925%0.253SS..Hα-helixtrans-83-36.8178.5176.40000111.2A272 A307 L308 V309A272-V311 WeakPolarHBondContact O-CG2 3.14Å; A307-V311 PolarHBondContact O-N 3.02Å; L308-V311 PolarHBondContact O-N 2.97Å; V309-V311 VanDerWaalsContact C-N 3.32Å; V309-V311 PolarHBondContact O-N 3.06Å
312S94.2Very high93.4Very high1 Ų146.5 Ų46.51%0.00724%0.239CC..  trans-109.469.2-176.4-60.20000111L279 L308 V309 N314 L315L279-S312 PolarHBondContact N-OG 3.27Å; L279-S312 WeakPolarHBondContact O-CB 2.92Å; L308-S312 WeakPolarHBondContact O-CB 3.07Å; L308-S312 PolarHBondContact O-N 2.79Å; V309-S312 CarbonylContact O-C 3.5Å; V309-S312 VanDerWaalsContact O-C 3.3Å; V309-S312 PolarHBondContact O-N 2.75Å; S312-N314 PolarHBondContact O-N 3.15Å; S312-N314 VanDerWaalsContact O-N 3.08Å; S312-L315 WeakPolarHBondContact O-CB 3.19Å; S312-L315 PolarHBondContact O-N 3.24Å
313A89.4Confident92.8Very high84 Ų8446.4 Ų46.469%0.69424%0.238SC*.THydrogen-bonded Turntrans-61.6-21.7-172.100000115.2V309V309-A313 WeakPolarHBondContact O-CA 3.24Å; V309-A313 PolarHBondContact O-N 3.48Å
314N90.3Very high92.3Very high125 Ų12541.6 Ų41.667%0.66821%0.213SC*.THydrogen-bonded Turntrans-104.818.5177.6-66.2-39.7000112.5S312 R316S312-N314 PolarHBondContact O-N 3.15Å; S312-N314 VanDerWaalsContact O-N 3.08Å; N314-R316 PolarHBondContact O-N 2.97Å
315L94.8Very high91.9Very high10 Ų1042.8 Ų42.85%0.05222%0.219CC..  trans-63.3132179.4177.961.4000110.6L279 L282 L308 S312 V317 P338L279-L315 HydrophobicContact CB-CD1 4.11Å; L279-L315 HydrophobicContact CD2-CD1 3.83Å; L279-L315 HydrophobicContact CG-CD1 4.03Å; L282-L315 HydrophobicContact CB-CD1 4.07Å; L308-L315 HydrophobicContact CD2-CD2 3.7Å; L308-L315 HydrophobicContact CG-CD2 3.87Å; S312-L315 WeakPolarHBondContact O-CB 3.19Å; S312-L315 PolarHBondContact O-N 3.24Å; L315-V317 HydrophobicContact CD2-CG2 4.19Å; L315-V317 HydrophobicContact CG-CG2 4.14Å; L315-P338 HydrophobicContact CB-CG 4.22Å; L315-P338 HydrophobicContact CD2-CG 4.13Å; L315-P338 HydrophobicContact CG-CG 4.01Å; L315-P338 WeakPolarHBondContact O-CB 3.3Å; L315-P338 WeakPolarHBondContact O-CG 3.34Å
316R93.7Very high91.5Very high119 Ų11943.4 Ų43.445%0.44922%0.223SC..EExtended strand (participates in β ladder)trans-115.6126.1172.3-57.5171.1177-145.78.7108.5H280 R281 L282 N314 Y318 E340H280-R316 PolarHBondContact O-N 3.04Å; R281-R316 WeakPolarHBondContact CA-O 3.43Å; L282-R316 PolarHBondContact N-O 3.27Å; N314-R316 PolarHBondContact O-N 2.97Å; R316-Y318 HydrophobicContact CB-CE1 4.23Å; R316-E340 HydrophobicContact CB-CB 4.38Å; R316-E340 WeakPolarHBondContact CD-OE2 3.43Å; R316-E340 WeakPolarHBondContact CG-OE2 3.36Å; R316-E340 IonicContact CZ-OE1 2.84Å; R316-E340 IonicContact CZ-OE2 2.59Å; R316-E340 IonicContact NE-OE2 2.77Å; R316-E340 PolarHBondContact NE-OE2 2.73Å; R316-E340 IonicContact NH1-OE1 3.52Å; R316-E340 PolarHBondContact NH1-OE1 2.68Å; R316-E340 IonicContact NH1-OE2 3.27Å; R316-E340 PolarHBondContact NH1-OE2 2.99Å
317V94.8Very high91.1Very high0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans-106.9128.4177.5-179.40000110.3L282 L284 W305 L315 V319 L337 P338 E340 R341L282-V317 HydrophobicContact CB-CG2 4.24Å; L282-V317 HydrophobicContact CD2-CG2 4.48Å; L282-V317 CarbonylContact O-C 3.55Å; L282-V317 VanDerWaalsContact O-CA 3.29Å; L282-V317 WeakPolarHBondContact O-CA 3.32Å; L284-V317 HydrophobicContact CD1-CG1 4.43Å; W305-V317 HydrophobicContact CH2-CG2 4.36Å; W305-V317 HydrophobicContact CZ3-CG2 3.94Å; L315-V317 HydrophobicContact CD2-CG2 4.19Å; L315-V317 HydrophobicContact CG-CG2 4.14Å; V317-V319 HydrophobicContact CG1-CG2 4.02Å; V317-L337 HydrophobicContact CB-CD1 4.18Å; V317-L337 HydrophobicContact CB-CG 4.39Å; V317-L337 HydrophobicContact CG1-CD1 3.86Å; V317-L337 HydrophobicContact CG1-CG 4.28Å; V317-L337 HydrophobicContact CG2-CD1 4.01Å; V317-P338 HydrophobicContact CG2-CG 3.85Å; V317-P338 PolarHBondContact N-O 3.31Å; V317-E340 PolarHBondContact O-N 3.32Å; V317-R341 PolarHBondContact O-N 3.1Å
318Y92.8Very high90.9Very high4 Ų443.4 Ų43.42%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-110.7129.2173.5-61-10.3000108.4R281 L282 S283 L284 R316 E340 R341 F491R281-Y318 PolarHBondContact NH1-OH 3.36Å; L282-Y318 PolarHBondContact O-N 3.22Å; S283-Y318 CarbonylContact C-O 3.58Å; S283-Y318 WeakPolarHBondContact CA-O 3.39Å; L284-Y318 PolarHBondContact N-O 2.87Å; R316-Y318 HydrophobicContact CB-CE1 4.23Å; Y318-E340 HydrophobicContact CD1-CB 4.23Å; Y318-E340 HydrophobicContact CE1-CB 3.82Å; Y318-E340 HydrophobicContact CE1-CG 3.84Å; Y318-E340 WeakPolarHBondContact CE1-OE1 3.44Å; Y318-E340 PolarHBondContact OH-OE1 3.02Å; Y318-R341 WeakPolarHBondContact CA-O 3.38Å; Y318-R341 HydrophobicContact CD1-CB 3.52Å; Y318-R341 HydrophobicContact CE1-CB 3.95Å; Y318-R341 HydrophobicContact CG-CB 3.9Å; Y318-F491 VanDerWaalsContact CB-CE2 3.46Å; Y318-F491 HydrophobicContact CD2-CD2 4.21Å; Y318-F491 HydrophobicContact CG-CD2 4.45Å
319V92.2Very high90.7Very high1 Ų143.6 Ų43.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-122131.1176.7178.60000109L284 V317 L339 R341 L342 H343L284-V319 WeakPolarHBondContact O-CA 3.15Å; V317-V319 HydrophobicContact CG1-CG2 4.02Å; V319-L339 HydrophobicContact CB-CD1 4.01Å; V319-L339 HydrophobicContact CG2-CD1 3.66Å; V319-R341 PolarHBondContact N-O 3.35Å; V319-L342 HydrophobicContact CB-CD1 3.91Å; V319-L342 HydrophobicContact CG1-CD1 4Å; V319-L342 WeakPolarHBondContact O-CA 3.2Å; V319-H343 PolarHBondContact O-N 3.16Å
320M88.6Confident90.4Very high4 Ų444.9 Ų44.92%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-120.5116.5172178.5179.5-94.400107.2L284 L285 L286 L322 H343 F484 L488 F491L284-M320 PolarHBondContact O-N 3.22Å; L285-M320 HydrophobicContact CD1-CB 4.1Å; L285-M320 HydrophobicContact CD1-CG 3.88Å; L285-M320 HydrophobicContact CD1-SD 3.86Å; L286-M320 PolarHBondContact N-O 3.42Å; M320-L322 HydrophobicContact CG-CD2 4.4Å; M320-H343 CarbonylContact C-O 3.54Å; M320-H343 WeakPolarHBondContact CA-O 3.49Å; M320-H343 HydrophobicContact CB-CB 4.42Å; M320-H343 VanDerWaalsContact CE-ND1 3.32Å; M320-H343 WeakPolarHBondContact CE-ND1 3.32Å; M320-H343 HydrophobicContact CG-CB 4.37Å; M320-F484 HydrophobicContact CE-CD2 3.97Å; M320-F484 HydrophobicContact CE-CE2 3.82Å; M320-F484 HydrophobicContact CG-CE2 4.05Å; M320-F484 HydrophobicContact SD-CD2 3.95Å; M320-F484 HydrophobicContact SD-CE2 3.18Å; M320-F484 WeakPolarHBondContact SD-CE2 3.29Å; M320-F484 HydrophobicContact SD-CZ 3.74Å; M320-L488 HydrophobicContact SD-CD1 3.88Å; M320-F491 HydrophobicContact CB-CE2 4.3Å; M320-F491 HydrophobicContact CB-CZ 4.27Å
321A88.9Confident90.2Very high3 Ų338.7 Ų38.73%0.02522%0.221CC..EExtended strand (participates in β ladder)trans-112.6122-177.400000109.4L286 V324 H343 L344 D345L286-A321 HydrophobicContact CB-CB 4.41Å; L286-A321 HydrophobicContact CD2-CB 4.37Å; L286-A321 CarbonylContact O-C 3.51Å; L286-A321 VanDerWaalsContact O-CA 3.31Å; L286-A321 WeakPolarHBondContact O-CA 3.34Å; A321-V324 HydrophobicContact CB-CB 4.23Å; A321-V324 HydrophobicContact CB-CG2 3.82Å; A321-H343 PolarHBondContact N-O 3.13Å; A321-L344 HydrophobicContact CB-CD2 3.73Å; A321-D345 PolarHBondContact O-N 3.29Å
322L84.6Confident90Very high19 Ų1936.3 Ų36.310%0.09921%0.207CC..EExtended strand (participates in β ladder)trans-114.5124.4-177.7-60.3-176.7000110.3L285 L286 G288 M320 V324 D345 F484L285-L322 HydrophobicContact CD1-CD1 3.95Å; L285-L322 HydrophobicContact CD1-CG 4.2Å; L286-L322 PolarHBondContact O-N 2.96Å; G288-L322 PolarHBondContact N-O 2.78Å; M320-L322 HydrophobicContact CG-CD2 4.4Å; L322-V324 VanDerWaalsContact O-CG2 3.3Å; L322-V324 WeakPolarHBondContact O-CG2 3.15Å; L322-V324 PolarHBondContact O-N 3.2Å; L322-V324 VanDerWaalsContact O-N 3.16Å; L322-D345 WeakPolarHBondContact CA-O 3.44Å; L322-D345 HydrophobicContact CD2-CB 3.69Å; L322-F484 HydrophobicContact CD1-CE2 3.78Å; L322-F484 HydrophobicContact CD1-CZ 3.76Å; L322-F484 HydrophobicContact CD2-CD2 4.27Å; L322-F484 HydrophobicContact CD2-CE2 3.68Å; L322-F484 HydrophobicContact CG-CE2 4.2Å
323E83.3Confident90Very high43 Ų4336.5 Ų36.520%0.20121%0.208CC..SBendtrans5134.3-178.8-68.6-51.498.800114.2G288 D345 S346 W347 T348G288-E323 WeakPolarHBondContact CA-O 3.47Å; E323-D345 PolarHBondContact N-O 2.85Å; E323-S346 VanDerWaalsContact OE1-C 3.3Å; E323-S346 WeakPolarHBondContact OE1-CA 3.43Å; E323-W347 HydrophobicContact CG-CE3 3.97Å; E323-W347 HydrophobicContact CG-CZ3 4.47Å; E323-W347 VanDerWaalsContact OE1-CE3 3.26Å; E323-W347 PolarHBondContact OE1-N 2.96Å; E323-T348 PolarHBondContact OE2-N 3.35Å; E323-T348 PolarHBondContact OE2-OG1 3.13Å
324V85.6Confident90.2Very high10 Ų1035.2 Ų35.26%0.06119%0.186CC..  trans-96.4135-177.1-171.30000109.7L286 A321 L322 D328 L329 T349L286-V324 HydrophobicContact CB-CG2 4.37Å; L286-V324 HydrophobicContact CD2-CB 4.34Å; L286-V324 HydrophobicContact CD2-CG1 3.74Å; L286-V324 HydrophobicContact CD2-CG2 3.8Å; L286-V324 HydrophobicContact CG-CG1 4.36Å; L286-V324 HydrophobicContact CG-CG2 3.68Å; A321-V324 HydrophobicContact CB-CB 4.23Å; A321-V324 HydrophobicContact CB-CG2 3.82Å; L322-V324 VanDerWaalsContact O-CG2 3.3Å; L322-V324 WeakPolarHBondContact O-CG2 3.15Å; L322-V324 PolarHBondContact O-N 3.2Å; L322-V324 VanDerWaalsContact O-N 3.16Å; V324-D328 HydrophobicContact CG1-CB 3.79Å; V324-L329 HydrophobicContact CG1-CB 4.33Å; V324-T349 WeakPolarHBondContact O-CB 3.42Å; V324-T349 PolarHBondContact O-OG1 3.49Å
325D87.1Confident90.4Very high61 Ų6133 Ų3333%0.32618%0.179SC..  trans-77.9165.6172.97833.3000112.4S327 D328 L329 T349D325-S327 VanDerWaalsContact C-N 3.31Å; D325-S327 PolarHBondContact O-N 2.83Å; D325-S327 WeakPolarHBondContact OD1-CA 3.22Å; D325-S327 WeakPolarHBondContact OD1-CB 3.3Å; D325-S327 PolarHBondContact OD1-N 2.86Å; D325-S327 PolarHBondContact OD1-OG 2.94Å; D325-S327 PolarHBondContact OD2-OG 2.86Å; D325-D328 PolarHBondContact OD1-N 3.46Å; D325-L329 WeakPolarHBondContact O-CB 3.21Å; D325-L329 PolarHBondContact O-N 3.12Å; D325-T349 HydrophobicContact CB-CG2 4.42Å
326S87.4Confident90.5Very high13 Ų1334 Ų349%0.09119%0.187CC..Hα-helixtrans-67.6-29-178-68.40000113.3L330 L350 V351 T352S326-L330 WeakPolarHBondContact O-CB 3.37Å; S326-L330 WeakPolarHBondContact O-CD1 3.39Å; S326-L330 WeakPolarHBondContact O-CG 3.35Å; S326-L330 PolarHBondContact O-N 3.22Å; S326-L350 PolarHBondContact OG-O 2.9Å; S326-L350 VanDerWaalsContact OG-O 3.06Å; S326-V351 WeakPolarHBondContact OG-CA 3.35Å; S326-T352 PolarHBondContact OG-N 3Å; S326-T352 PolarHBondContact OG-OG1 3.34Å
327S88.8Confident90.6Very high71 Ų7128.6 Ų28.650%0.49717%0.167SC..Hα-helixtrans-66.9-45.9177.920.40000112.1D325 L330 C331D325-S327 VanDerWaalsContact C-N 3.31Å; D325-S327 PolarHBondContact O-N 2.83Å; D325-S327 WeakPolarHBondContact OD1-CA 3.22Å; D325-S327 WeakPolarHBondContact OD1-CB 3.3Å; D325-S327 PolarHBondContact OD1-N 2.86Å; D325-S327 PolarHBondContact OD1-OG 2.94Å; D325-S327 PolarHBondContact OD2-OG 2.86Å; S327-L330 PolarHBondContact O-N 3.46Å; S327-C331 PolarHBondContact O-N 3.03Å; S327-C331 VanDerWaalsContact O-N 3.11Å; S327-C331 PolarHBondContact O-SG 3.05Å
328D90.9Very high90.6Very high51 Ų5129.5 Ų29.527%0.27317%0.173SC..Hα-helixtrans-68.8-41.5178-74.9-27.7000110.8L291 L296 V324 D325 L330 C331 V332L291-D328 HydrophobicContact CD1-CB 3.9Å; L291-D328 VanDerWaalsContact CD1-OD2 3.27Å; L291-D328 WeakPolarHBondContact CD1-OD2 3.15Å; L296-D328 HydrophobicContact CD1-CB 4.22Å; V324-D328 HydrophobicContact CG1-CB 3.79Å; D325-D328 PolarHBondContact OD1-N 3.46Å; D328-L330 VanDerWaalsContact C-N 3.33Å; D328-L330 PolarHBondContact O-N 3.46Å; D328-C331 WeakPolarHBondContact O-CB 3.49Å; D328-C331 PolarHBondContact O-N 3.49Å; D328-V332 WeakPolarHBondContact O-CG2 3.37Å; D328-V332 PolarHBondContact O-N 2.96Å; D328-V332 VanDerWaalsContact O-N 3.13Å
329L91.3Very high90.8Very high4 Ų429.3 Ų29.32%0.02117%0.172CC..Hα-helixtrans-57.6-45.7173.9-177.462.9000111.5V324 D325 C331 V332 L333 L344V324-L329 HydrophobicContact CG1-CB 4.33Å; D325-L329 WeakPolarHBondContact O-CB 3.21Å; D325-L329 PolarHBondContact O-N 3.12Å; L329-C331 VanDerWaalsContact C-N 3.25Å; L329-C331 PolarHBondContact O-N 3.49Å; L329-V332 WeakPolarHBondContact O-CB 3.47Å; L329-V332 PolarHBondContact O-N 3.24Å; L329-L333 HydrophobicContact CD1-CD1 4.05Å; L329-L333 HydrophobicContact CD1-CD2 4.43Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CD2-CD1 4.39Å; L329-L333 HydrophobicContact CG-CD1 3.82Å; L329-L333 HydrophobicContact CG-CG 4.26Å; L329-L333 VanDerWaalsContact O-CG 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.48Å; L329-L333 PolarHBondContact O-N 2.96Å; L329-L344 HydrophobicContact CD1-CD2 4.09Å; L329-L344 HydrophobicContact CD2-CD1 4.12Å; L329-L344 HydrophobicContact CD2-CD2 3.98Å
330L90.4Very high90.9Very high70 Ų7030.7 Ų30.737%0.36618%0.178SC..Hα-helixtrans-62.8-32.1176.6-73.5169.9000112.5S326 S327 D328 V332 A355 L358S326-L330 WeakPolarHBondContact O-CB 3.37Å; S326-L330 WeakPolarHBondContact O-CD1 3.39Å; S326-L330 WeakPolarHBondContact O-CG 3.35Å; S326-L330 PolarHBondContact O-N 3.22Å; S327-L330 PolarHBondContact O-N 3.46Å; D328-L330 VanDerWaalsContact C-N 3.33Å; D328-L330 PolarHBondContact O-N 3.46Å; L330-V332 VanDerWaalsContact C-N 3.27Å; L330-V332 PolarHBondContact O-N 3.48Å; L330-A355 HydrophobicContact CD2-CB 4.39Å; L330-L358 HydrophobicContact CD2-CB 4.3Å; L330-L358 HydrophobicContact CD2-CD1 3.84Å; L330-L358 HydrophobicContact CD2-CD2 4.49Å; L330-L358 HydrophobicContact CD2-CG 4.44Å
331C89.3Confident91.1Very high68 Ų6832.7 Ų32.746%0.45919%0.186SC..Hα-helixtrans-67.8-30174.2-69.40000112.2L296 S327 D328 L329 K334L296-C331 HydrophobicContact CD1-CB 3.96Å; S327-C331 PolarHBondContact O-N 3.03Å; S327-C331 VanDerWaalsContact O-N 3.11Å; S327-C331 PolarHBondContact O-SG 3.05Å; D328-C331 WeakPolarHBondContact O-CB 3.49Å; D328-C331 PolarHBondContact O-N 3.49Å; L329-C331 VanDerWaalsContact C-N 3.25Å; L329-C331 PolarHBondContact O-N 3.49Å; C331-K334 WeakPolarHBondContact O-CE 3.45Å; C331-K334 PolarHBondContact O-NZ 2.6Å
332V91.9Very high91.3Very high1 Ų132.6 Ų32.61%0.00619%0.185CC..Hα-helixtrans-82.7-37.1-178.6164.90000112.9F260 L286 L296 D328 L329 L330 K334F260-V332 HydrophobicContact CD1-CG2 3.99Å; F260-V332 HydrophobicContact CD2-CG1 3.88Å; F260-V332 HydrophobicContact CE1-CB 4.3Å; F260-V332 HydrophobicContact CE1-CG1 4.12Å; F260-V332 HydrophobicContact CE1-CG2 3.52Å; F260-V332 HydrophobicContact CE2-CB 4.27Å; F260-V332 HydrophobicContact CE2-CG1 3.27Å; F260-V332 HydrophobicContact CE2-CG2 4.27Å; F260-V332 HydrophobicContact CZ-CB 3.94Å; F260-V332 HydrophobicContact CZ-CG1 3.42Å; F260-V332 VanDerWaalsContact CZ-CG1 3.42Å; F260-V332 HydrophobicContact CZ-CG2 3.69Å; L286-V332 HydrophobicContact CD1-CG2 4.38Å; L286-V332 HydrophobicContact CD2-CB 4.4Å; L286-V332 HydrophobicContact CD2-CG1 4.44Å; L286-V332 HydrophobicContact CD2-CG2 3.85Å; L296-V332 HydrophobicContact CD1-CG2 3.98Å; L296-V332 HydrophobicContact CD2-CG2 3.95Å; D328-V332 WeakPolarHBondContact O-CG2 3.37Å; D328-V332 PolarHBondContact O-N 2.96Å; D328-V332 VanDerWaalsContact O-N 3.13Å; L329-V332 WeakPolarHBondContact O-CB 3.47Å; L329-V332 PolarHBondContact O-N 3.24Å; L330-V332 VanDerWaalsContact C-N 3.27Å; L330-V332 PolarHBondContact O-N 3.48Å; V332-K334 PolarHBondContact O-N 2.97Å
333L93.4Very high91.5Very high6 Ų632 Ų323%0.03118%0.181CC..  trans-75.784-173.2-67.1177000113L329 L339 L358 I359 Q362 Y363L329-L333 HydrophobicContact CD1-CD1 4.05Å; L329-L333 HydrophobicContact CD1-CD2 4.43Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CD2-CD1 4.39Å; L329-L333 HydrophobicContact CG-CD1 3.82Å; L329-L333 HydrophobicContact CG-CG 4.26Å; L329-L333 VanDerWaalsContact O-CG 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.48Å; L329-L333 PolarHBondContact O-N 2.96Å; L333-L339 HydrophobicContact CD2-CD2 3.92Å; L333-L358 HydrophobicContact CB-CD2 4.19Å; L333-L358 HydrophobicContact CD1-CD2 4.4Å; L333-I359 HydrophobicContact CD1-CD1 3.95Å; L333-I359 HydrophobicContact CD1-CG1 3.54Å; L333-Q362 PolarHBondContact O-NE2 3.35Å; L333-Y363 VanDerWaalsContact CA-OH 3.28Å; L333-Y363 WeakPolarHBondContact CA-OH 3.17Å; L333-Y363 HydrophobicContact CB-CE2 4.25Å; L333-Y363 WeakPolarHBondContact CB-OH 3.33Å; L333-Y363 HydrophobicContact CD2-CE2 3.93Å; L333-Y363 HydrophobicContact CG-CE2 4.47Å
334K94.7Very high91.9Very high56 Ų5630.1 Ų30.124%0.24317%0.173CC..  trans-79.6141179.5-55.5-48.9-172.5-170.60113.7E302 C331 V332 S336 L337 Q362 Y363E302-K334 WeakPolarHBondContact OE2-CB 3.4Å; C331-K334 WeakPolarHBondContact O-CE 3.45Å; C331-K334 PolarHBondContact O-NZ 2.6Å; V332-K334 PolarHBondContact O-N 2.97Å; K334-S336 VanDerWaalsContact C-N 3.31Å; K334-S336 PolarHBondContact O-N 3Å; K334-L337 HydrophobicContact CB-CB 4.41Å; K334-L337 WeakPolarHBondContact O-CB 3.46Å; K334-L337 PolarHBondContact O-N 3.02Å; K334-Q362 PolarHBondContact O-NE2 3.08Å; K334-Q362 VanDerWaalsContact O-NE2 3.1Å; K334-Y363 PolarHBondContact N-OH 2.85Å; K334-Y363 PolarHBondContact O-OH 3.05Å
335P95.2Very high91.8Very high78 Ų7830 Ų3051%0.50617%0.172SC..THydrogen-bonded Turntrans-54.8-37.9-180-29.134.4000116E302 L337 Q362E302-P335 VanDerWaalsContact OE2-CD 3.3Å; E302-P335 WeakPolarHBondContact OE2-CD 3.45Å; P335-L337 VanDerWaalsContact C-N 3.28Å; P335-L337 PolarHBondContact O-N 2.9Å; P335-Q362 VanDerWaalsContact CA-CD 3.42Å; P335-Q362 VanDerWaalsContact CA-NE2 3.31Å; P335-Q362 HydrophobicContact CB-CG 4.4Å; P335-Q362 VanDerWaalsContact N-NE2 3.14Å
336S95.7Very high91.4Very high33 Ų3327.3 Ų27.323%0.23116%0.158CC..THydrogen-bonded Turntrans-83.6-0.4179.4-67.70000114E302 K306 K334 P338E302-S336 VanDerWaalsContact OE1-CB 3.23Å; E302-S336 WeakPolarHBondContact OE1-CB 3.43Å; E302-S336 PolarHBondContact OE1-N 3.46Å; E302-S336 PolarHBondContact OE1-OG 2.87Å; E302-S336 PolarHBondContact OE2-N 2.88Å; K306-S336 WeakPolarHBondContact CG-OG 3.36Å; K334-S336 VanDerWaalsContact C-N 3.31Å; K334-S336 PolarHBondContact O-N 3Å; S336-P338 VanDerWaalsContact O-CD 3.29Å; S336-P338 WeakPolarHBondContact O-CD 3.29Å
337L95.2Very high90.6Very high4 Ų430.3 Ų30.32%0.02117%0.167CC..  trans-66.5117.6176.2-171.372.8000109.8W305 V317 K334 P335 L339 Y363W305-L337 HydrophobicContact CD2-CD1 3.78Å; W305-L337 HydrophobicContact CE3-CD1 3.66Å; W305-L337 HydrophobicContact CH2-CD1 3.25Å; W305-L337 HydrophobicContact CZ2-CD1 3.38Å; W305-L337 HydrophobicContact CZ3-CD1 3.41Å; W305-L337 VanDerWaalsContact CZ3-CD1 3.41Å; V317-L337 HydrophobicContact CB-CD1 4.18Å; V317-L337 HydrophobicContact CB-CG 4.39Å; V317-L337 HydrophobicContact CG1-CD1 3.86Å; V317-L337 HydrophobicContact CG1-CG 4.28Å; V317-L337 HydrophobicContact CG2-CD1 4.01Å; K334-L337 HydrophobicContact CB-CB 4.41Å; K334-L337 WeakPolarHBondContact O-CB 3.46Å; K334-L337 PolarHBondContact O-N 3.02Å; P335-L337 VanDerWaalsContact C-N 3.28Å; P335-L337 PolarHBondContact O-N 2.9Å; L337-L339 HydrophobicContact CD2-CB 4.18Å; L337-L339 HydrophobicContact CD2-CD1 4.25Å; L337-L339 HydrophobicContact CG-CB 4.33Å; L337-L339 PolarHBondContact O-N 3.42Å; L337-Y363 HydrophobicContact CB-CE1 4Å; L337-Y363 WeakPolarHBondContact O-CD1 3.42Å; L337-Y363 WeakPolarHBondContact O-CE1 3.36Å
338P95.2Very high89.7Confident20 Ų2032 Ų3213%0.1317%0.174CC..  trans-80.765.9177.334.1-34.2000110.2V309 L315 V317 S336 E340V309-P338 HydrophobicContact CG2-CG 3.94Å; L315-P338 HydrophobicContact CB-CG 4.22Å; L315-P338 HydrophobicContact CD2-CG 4.13Å; L315-P338 HydrophobicContact CG-CG 4.01Å; L315-P338 WeakPolarHBondContact O-CB 3.3Å; L315-P338 WeakPolarHBondContact O-CG 3.34Å; V317-P338 HydrophobicContact CG2-CG 3.85Å; V317-P338 PolarHBondContact N-O 3.31Å; S336-P338 VanDerWaalsContact O-CD 3.29Å; S336-P338 WeakPolarHBondContact O-CD 3.29Å; P338-E340 PolarHBondContact O-N 2.74Å
339L96.6Very high89Confident0 Ų030.8 Ų30.80%017%0.169CC..EExtended strand (participates in β ladder)trans-69.6113.7-176-173.266000110.4V319 L333 L337 R341 L342 Y363 T366 L367V319-L339 HydrophobicContact CB-CD1 4.01Å; V319-L339 HydrophobicContact CG2-CD1 3.66Å; L333-L339 HydrophobicContact CD2-CD2 3.92Å; L337-L339 HydrophobicContact CD2-CB 4.18Å; L337-L339 HydrophobicContact CD2-CD1 4.25Å; L337-L339 HydrophobicContact CG-CB 4.33Å; L337-L339 PolarHBondContact O-N 3.42Å; L339-R341 WeakPolarHBondContact CD1-O 3.45Å; L339-L342 HydrophobicContact CD2-CB 4.13Å; L339-L342 HydrophobicContact CD2-CD2 4.21Å; L339-L342 HydrophobicContact CG-CB 4.49Å; L339-Y363 HydrophobicContact CB-CD1 3.69Å; L339-Y363 HydrophobicContact CB-CD2 4.31Å; L339-Y363 HydrophobicContact CB-CE1 3.84Å; L339-Y363 HydrophobicContact CB-CE2 4.43Å; L339-Y363 HydrophobicContact CB-CG 3.91Å; L339-Y363 HydrophobicContact CD2-CD1 4.47Å; L339-Y363 HydrophobicContact CD2-CD2 3.6Å; L339-Y363 HydrophobicContact CD2-CE1 4.46Å; L339-Y363 HydrophobicContact CD2-CE2 3.58Å; L339-Y363 HydrophobicContact CD2-CG 4.03Å; L339-T366 CarbonylContact O-C 3.3Å; L339-T366 VanDerWaalsContact O-C 3.22Å; L339-T366 WeakPolarHBondContact O-CB 2.99Å; L339-T366 PolarHBondContact O-OG1 3.3Å; L339-L367 HydrophobicContact CG-CD1 4.38Å; L339-L367 PolarHBondContact O-N 3.01Å
340E94.7Very high88.5Confident29 Ų2934.6 Ų34.614%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-102.1-39.8178.9175.9175.9118.200111.4R316 V317 Y318 P338 T366 T368 D369R316-E340 HydrophobicContact CB-CB 4.38Å; R316-E340 WeakPolarHBondContact CD-OE2 3.43Å; R316-E340 WeakPolarHBondContact CG-OE2 3.36Å; R316-E340 IonicContact CZ-OE1 2.84Å; R316-E340 IonicContact CZ-OE2 2.59Å; R316-E340 IonicContact NE-OE2 2.77Å; R316-E340 PolarHBondContact NE-OE2 2.73Å; R316-E340 IonicContact NH1-OE1 3.52Å; R316-E340 PolarHBondContact NH1-OE1 2.68Å; R316-E340 IonicContact NH1-OE2 3.27Å; R316-E340 PolarHBondContact NH1-OE2 2.99Å; V317-E340 PolarHBondContact O-N 3.32Å; Y318-E340 HydrophobicContact CD1-CB 4.23Å; Y318-E340 HydrophobicContact CE1-CB 3.82Å; Y318-E340 HydrophobicContact CE1-CG 3.84Å; Y318-E340 WeakPolarHBondContact CE1-OE1 3.44Å; Y318-E340 PolarHBondContact OH-OE1 3.02Å; P338-E340 PolarHBondContact O-N 2.74Å; E340-T366 WeakPolarHBondContact CA-O 3.12Å; E340-T368 HydrophobicContact CG-CG2 4.13Å; E340-T368 WeakPolarHBondContact CG-OG1 3.39Å; E340-T368 PolarHBondContact O-N 2.86Å; E340-T368 PolarHBondContact O-OG1 3.25Å; E340-D369 PolarHBondContact O-N 3.42Å; E340-D369 VanDerWaalsContact O-N 3.13Å
341R92.7Very high88.3Confident47 Ų4731.7 Ų31.718%0.17717%0.174CC..EExtended strand (participates in β ladder)trans-127.1129.8178.4179.5174.4-68.9160.41.9110.6V317 Y318 V319 L339 D369 V495V317-R341 PolarHBondContact O-N 3.1Å; Y318-R341 WeakPolarHBondContact CA-O 3.38Å; Y318-R341 HydrophobicContact CD1-CB 3.52Å; Y318-R341 HydrophobicContact CE1-CB 3.95Å; Y318-R341 HydrophobicContact CG-CB 3.9Å; V319-R341 PolarHBondContact N-O 3.35Å; L339-R341 WeakPolarHBondContact CD1-O 3.45Å; R341-D369 WeakPolarHBondContact CA-O 3.48Å; R341-D369 HydrophobicContact CB-CB 3.89Å; R341-D369 HydrophobicContact CG-CB 3.68Å; R341-D369 IonicContact CZ-OD1 2.78Å; R341-D369 IonicContact NE-OD1 3.43Å; R341-D369 PolarHBondContact NE-OD1 2.83Å; R341-D369 IonicContact NH2-OD1 3.56Å; R341-D369 PolarHBondContact NH2-OD1 3.28Å; R341-V495 PolarHBondContact NH1-O 2.89Å
342L93.4Very high88.1Confident0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-127.1122.3172.4-178.661.7000109.4V319 L339 L344 I359 L367 D369 F370 L371V319-L342 HydrophobicContact CB-CD1 3.91Å; V319-L342 HydrophobicContact CG1-CD1 4Å; V319-L342 WeakPolarHBondContact O-CA 3.2Å; L339-L342 HydrophobicContact CD2-CB 4.13Å; L339-L342 HydrophobicContact CD2-CD2 4.21Å; L339-L342 HydrophobicContact CG-CB 4.49Å; L342-L344 HydrophobicContact CD1-CD2 3.78Å; L342-L344 HydrophobicContact CD1-CG 4.45Å; L342-L344 HydrophobicContact CD2-CD1 4.42Å; L342-L344 HydrophobicContact CD2-CD2 4.3Å; L342-L344 HydrophobicContact CD2-CG 4.39Å; L342-L344 HydrophobicContact CG-CD2 3.98Å; L342-L344 HydrophobicContact CG-CG 4.12Å; L342-I359 HydrophobicContact CD2-CD1 3.57Å; L342-I359 HydrophobicContact CD2-CG1 4.08Å; L342-I359 HydrophobicContact CD2-CG2 4.21Å; L342-L367 HydrophobicContact CB-CD1 4.18Å; L342-D369 PolarHBondContact N-O 2.73Å; L342-F370 HydrophobicContact CB-CD2 4.18Å; L342-F370 HydrophobicContact CD2-CD2 4.17Å; L342-F370 HydrophobicContact CD2-CE2 3.86Å; L342-F370 HydrophobicContact CG-CD2 4.35Å; L342-F370 HydrophobicContact CG-CE2 4.28Å; L342-F370 WeakPolarHBondContact O-CA 3.36Å; L342-L371 PolarHBondContact O-N 3.43Å
343H90Very high87.8Confident6 Ų634.4 Ų34.43%0.02819%0.186CC..EExtended strand (participates in β ladder)trans-116.9117.2174.4-176.5175.4000108V319 M320 A321 L371 L373V319-H343 PolarHBondContact O-N 3.16Å; M320-H343 CarbonylContact C-O 3.54Å; M320-H343 WeakPolarHBondContact CA-O 3.49Å; M320-H343 HydrophobicContact CB-CB 4.42Å; M320-H343 VanDerWaalsContact CE-ND1 3.32Å; M320-H343 WeakPolarHBondContact CE-ND1 3.32Å; M320-H343 HydrophobicContact CG-CB 4.37Å; A321-H343 PolarHBondContact N-O 3.13Å; H343-L371 HydrophobicContact CB-CB 4.31Å; H343-L373 VanDerWaalsContact NE2-CD1 3.25Å; H343-L373 WeakPolarHBondContact NE2-CD1 3.37Å
344L89.8Confident87.5Confident5 Ų535.7 Ų35.73%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-109.3119.6173.2-54.2-179.4000107.7A321 L329 L342 V351 F370 L371 L372 L373A321-L344 HydrophobicContact CB-CD2 3.73Å; L329-L344 HydrophobicContact CD1-CD2 4.09Å; L329-L344 HydrophobicContact CD2-CD1 4.12Å; L329-L344 HydrophobicContact CD2-CD2 3.98Å; L342-L344 HydrophobicContact CD1-CD2 3.78Å; L342-L344 HydrophobicContact CD1-CG 4.45Å; L342-L344 HydrophobicContact CD2-CD1 4.42Å; L342-L344 HydrophobicContact CD2-CD2 4.3Å; L342-L344 HydrophobicContact CD2-CG 4.39Å; L342-L344 HydrophobicContact CG-CD2 3.98Å; L342-L344 HydrophobicContact CG-CG 4.12Å; L344-V351 HydrophobicContact CB-CG2 4.45Å; L344-V351 HydrophobicContact CD1-CG1 4.09Å; L344-V351 HydrophobicContact CD1-CG2 3.71Å; L344-F370 HydrophobicContact CD1-CE2 4.13Å; L344-F370 HydrophobicContact CD1-CZ 4.23Å; L344-L371 PolarHBondContact N-O 2.99Å; L344-L372 HydrophobicContact CB-CD1 4.08Å; L344-L372 HydrophobicContact CD1-CD1 4.22Å; L344-L373 PolarHBondContact O-N 2.94Å
345D84.1Confident87.3Confident7 Ų733 Ų334%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-130117179.6-167-2.8000108.9A321 L322 E323A321-D345 PolarHBondContact O-N 3.29Å; L322-D345 WeakPolarHBondContact CA-O 3.44Å; L322-D345 HydrophobicContact CD2-CB 3.69Å; E323-D345 PolarHBondContact N-O 2.85Å
346S79.7Confident87.2Confident4 Ų429.3 Ų29.33%0.02817%0.165CC..EExtended strand (participates in β ladder)trans-143.7125.1-171.9-68.90000112.3E323 T349 L373 R374 D375E323-S346 VanDerWaalsContact OE1-C 3.3Å; E323-S346 WeakPolarHBondContact OE1-CA 3.43Å; S346-T349 VanDerWaalsContact CB-O 3.24Å; S346-T349 WeakPolarHBondContact CB-O 3.35Å; S346-T349 WeakPolarHBondContact CB-OG1 3.36Å; S346-T349 PolarHBondContact OG-OG1 3.31Å; S346-L373 PolarHBondContact N-O 2.85Å; S346-L373 VanDerWaalsContact N-O 3.14Å; S346-R374 WeakPolarHBondContact O-CA 3.46Å; S346-R374 VanDerWaalsContact O-CB 3.31Å; S346-R374 WeakPolarHBondContact O-CB 3.32Å; S346-R374 VanDerWaalsContact O-CG 3.23Å; S346-R374 WeakPolarHBondContact O-CG 3.48Å; S346-D375 PolarHBondContact O-N 3.4Å
347W70.7Confident87Confident77 Ų7731.9 Ų31.929%0.29217%0.174SC..SBendtrans-76.2-47.8163.1-70.2-80.6000111.6Q159 E323 D375 A376 P480Q159-W347 VanDerWaalsContact NE2-CH2 3.35Å; E323-W347 HydrophobicContact CG-CE3 3.97Å; E323-W347 HydrophobicContact CG-CZ3 4.47Å; E323-W347 VanDerWaalsContact OE1-CE3 3.26Å; E323-W347 PolarHBondContact OE1-N 2.96Å; W347-D375 VanDerWaalsContact CD1-O 3.24Å; W347-D375 PolarHBondContact NE1-OD2 2.93Å; W347-A376 WeakPolarHBondContact O-CB 3.32Å; W347-P480 HydrophobicContact CZ2-CB 4.49Å
348T69Low86.9Confident106 Ų10634.2 Ų34.265%0.6519%0.186SC*.SBendtrans-111-33.8-169.765.10000114.4E323E323-T348 PolarHBondContact OE2-N 3.35Å; E323-T348 PolarHBondContact OE2-OG1 3.13Å
349T76.9Confident86.9Confident25 Ų2533.3 Ų33.315%0.15318%0.18CC..PPolyproline II helixtrans-84.3141.7-173.264.20000112.1V324 D325 S346V324-T349 WeakPolarHBondContact O-CB 3.42Å; V324-T349 PolarHBondContact O-OG1 3.49Å; D325-T349 HydrophobicContact CB-CG2 4.42Å; S346-T349 VanDerWaalsContact CB-O 3.24Å; S346-T349 WeakPolarHBondContact CB-O 3.35Å; S346-T349 WeakPolarHBondContact CB-OG1 3.36Å; S346-T349 PolarHBondContact OG-OG1 3.31Å
350L80.1Confident86.8Confident85 Ų8533.3 Ų33.345%0.44518%0.18SC..PPolyproline II helixtrans-101136.3176.7-67174.4000110.8S326 P380S326-L350 PolarHBondContact OG-O 2.9Å; S326-L350 VanDerWaalsContact OG-O 3.06Å; L350-P380 HydrophobicContact CD2-CB 3.92Å; L350-P380 HydrophobicContact CD2-CG 3.62Å
351V85.3Confident86.8Confident9 Ų936.7 Ų36.76%0.05520%0.196CC..PPolyproline II helixtrans-80125.3167.8-174.90000108.6S326 L344 A355 L356 L372 L382S326-V351 WeakPolarHBondContact OG-CA 3.35Å; L344-V351 HydrophobicContact CB-CG2 4.45Å; L344-V351 HydrophobicContact CD1-CG1 4.09Å; L344-V351 HydrophobicContact CD1-CG2 3.71Å; V351-A355 HydrophobicContact CG1-CB 4.19Å; V351-L356 HydrophobicContact CG1-CD2 3.96Å; V351-L356 HydrophobicContact CG1-CG 3.91Å; V351-L372 HydrophobicContact CB-CD1 4.35Å; V351-L372 HydrophobicContact CG2-CD1 3.78Å; V351-L382 WeakPolarHBondContact O-CD2 3.46Å
352T86.4Confident86.9Confident59 Ų5937 Ų3736%0.36220%0.199SC..PPolyproline II helixtrans-78.5153.5177.760.40000111.8S326 G354 A355 L356S326-T352 PolarHBondContact OG-N 3Å; S326-T352 PolarHBondContact OG-OG1 3.34Å; T352-G354 PolarHBondContact O-N 3.45Å; T352-A355 PolarHBondContact O-N 3.34Å; T352-A355 VanDerWaalsContact O-N 3.13Å; T352-A355 PolarHBondContact OG1-N 2.67Å; T352-L356 PolarHBondContact O-N 3.35Å
353D84.3Confident87.1Confident66 Ų6637.1 Ų37.135%0.35320%0.2SC..Hα-helixtrans-53.9-41.6169.261.6-37.7000111.9A355 L356 E357 C386D353-A355 VanDerWaalsContact C-N 3.33Å; D353-A355 PolarHBondContact O-N 3.41Å; D353-L356 PolarHBondContact O-N 3.41Å; D353-E357 WeakPolarHBondContact O-CB 3.32Å; D353-E357 PolarHBondContact O-N 3.16Å; D353-C386 VanDerWaalsContact CB-SG 3.59Å; D353-C386 PolarHBondContact OD2-SG 2.98Å; D353-C386 VanDerWaalsContact OD2-SG 3.39Å
354G86.9Confident87.4Confident34 Ų3439.4 Ų39.435%0.35121%0.212SC..Hα-helixtrans-60.9-37.1175.900000113.8T352 L358T352-G354 PolarHBondContact O-N 3.45Å; G354-L358 PolarHBondContact O-N 3.44Å
355A91.4Very high87.7Confident0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-67.7-44.7175.500000111.6L330 V351 T352 D353 E357 L358 I359L330-A355 HydrophobicContact CD2-CB 4.39Å; V351-A355 HydrophobicContact CG1-CB 4.19Å; T352-A355 PolarHBondContact O-N 3.34Å; T352-A355 VanDerWaalsContact O-N 3.13Å; T352-A355 PolarHBondContact OG1-N 2.67Å; D353-A355 VanDerWaalsContact C-N 3.33Å; D353-A355 PolarHBondContact O-N 3.41Å; A355-E357 VanDerWaalsContact C-N 3.33Å; A355-E357 PolarHBondContact O-N 2.86Å; A355-L358 PolarHBondContact O-N 3.19Å; A355-I359 WeakPolarHBondContact O-CD1 3.25Å; A355-I359 VanDerWaalsContact O-CG1 3.24Å; A355-I359 WeakPolarHBondContact O-CG1 3.18Å; A355-I359 PolarHBondContact O-N 3.11Å
356L92.3Very high88.3Confident0 Ų048.5 Ų48.50%026%0.255CS..Hα-helixtrans-63.4-39.7175.8-67.3177.5000112.1V351 T352 D353 I359 S360 F370 L382 P390 L391V351-L356 HydrophobicContact CG1-CD2 3.96Å; V351-L356 HydrophobicContact CG1-CG 3.91Å; T352-L356 PolarHBondContact O-N 3.35Å; D353-L356 PolarHBondContact O-N 3.41Å; L356-I359 HydrophobicContact CD2-CD1 4.48Å; L356-I359 PolarHBondContact O-N 2.81Å; L356-S360 WeakPolarHBondContact O-CB 3.45Å; L356-S360 PolarHBondContact O-N 3.23Å; L356-S360 PolarHBondContact O-OG 2.65Å; L356-F370 HydrophobicContact CD2-CE1 4.14Å; L356-F370 HydrophobicContact CD2-CE2 4.32Å; L356-F370 HydrophobicContact CD2-CZ 3.49Å; L356-F370 VanDerWaalsContact CD2-CZ 3.49Å; L356-L382 HydrophobicContact CD1-CD1 3.79Å; L356-L382 HydrophobicContact CD1-CD2 4.12Å; L356-L382 HydrophobicContact CD1-CG 4.42Å; L356-P390 HydrophobicContact CB-CB 4.06Å; L356-P390 HydrophobicContact CD1-CB 3.97Å; L356-P390 HydrophobicContact CD1-CG 4.01Å; L356-L391 HydrophobicContact CD1-CD2 4.25Å
357E91.3Very high89.1Confident87 Ų8748.3 Ų48.341%0.40725%0.254SS..Hα-helixtrans-59.5-51.3174.3174.4155.3-138.700110.5D353 A355 I359 S360 Q361 R397D353-E357 WeakPolarHBondContact O-CB 3.32Å; D353-E357 PolarHBondContact O-N 3.16Å; A355-E357 VanDerWaalsContact C-N 3.33Å; A355-E357 PolarHBondContact O-N 2.86Å; E357-I359 VanDerWaalsContact C-N 3.34Å; E357-I359 PolarHBondContact O-N 3.35Å; E357-S360 PolarHBondContact O-N 3.38Å; E357-S360 PolarHBondContact O-OG 3.03Å; E357-Q361 HydrophobicContact CG-CG 4.23Å; E357-Q361 WeakPolarHBondContact O-CG 3.44Å; E357-Q361 PolarHBondContact O-N 2.98Å; E357-Q361 PolarHBondContact OE1-NE2 3.49Å; E357-R397 IonicContact OE1-NH1 2.62Å; E357-R397 IonicContact OE1-NH2 3.14Å
358L93.3Very high90.3Very high53 Ų5345.9 Ų45.928%0.27725%0.247SC..Hα-helixtrans-57.6-46.8178.1-175.5146.7000111.5L330 L333 G354 A355 S360 Q361 Q362L330-L358 HydrophobicContact CD2-CB 4.3Å; L330-L358 HydrophobicContact CD2-CD1 3.84Å; L330-L358 HydrophobicContact CD2-CD2 4.49Å; L330-L358 HydrophobicContact CD2-CG 4.44Å; L333-L358 HydrophobicContact CB-CD2 4.19Å; L333-L358 HydrophobicContact CD1-CD2 4.4Å; G354-L358 PolarHBondContact O-N 3.44Å; A355-L358 PolarHBondContact O-N 3.19Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.39Å; L358-Q361 PolarHBondContact O-N 2.9Å; L358-Q362 HydrophobicContact CD2-CB 4.36Å; L358-Q362 WeakPolarHBondContact O-CB 3.38Å; L358-Q362 PolarHBondContact O-N 3.36Å
359I95.4Very high91.4Very high0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-56.4-49.3177.7-70.1159.5000110.4L333 L342 A355 L356 E357 Q361 Y363 L367 L394L333-I359 HydrophobicContact CD1-CD1 3.95Å; L333-I359 HydrophobicContact CD1-CG1 3.54Å; L342-I359 HydrophobicContact CD2-CD1 3.57Å; L342-I359 HydrophobicContact CD2-CG1 4.08Å; L342-I359 HydrophobicContact CD2-CG2 4.21Å; A355-I359 WeakPolarHBondContact O-CD1 3.25Å; A355-I359 VanDerWaalsContact O-CG1 3.24Å; A355-I359 WeakPolarHBondContact O-CG1 3.18Å; A355-I359 PolarHBondContact O-N 3.11Å; L356-I359 HydrophobicContact CD2-CD1 4.48Å; L356-I359 PolarHBondContact O-N 2.81Å; E357-I359 VanDerWaalsContact C-N 3.34Å; E357-I359 PolarHBondContact O-N 3.35Å; I359-Q361 VanDerWaalsContact C-N 3.33Å; I359-Q361 PolarHBondContact O-N 2.87Å; I359-Y363 HydrophobicContact CB-CD2 4.45Å; I359-Y363 HydrophobicContact CG2-CD2 4.22Å; I359-Y363 PolarHBondContact O-N 3.17Å; I359-L367 HydrophobicContact CG2-CD2 4.04Å; I359-L394 HydrophobicContact CG2-CD1 4.36Å
360S95.2Very high92.3Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-64.4-34.9-178.275.30000113.1L356 E357 L358 N364 R397L356-S360 WeakPolarHBondContact O-CB 3.45Å; L356-S360 PolarHBondContact O-N 3.23Å; L356-S360 PolarHBondContact O-OG 2.65Å; E357-S360 PolarHBondContact O-N 3.38Å; E357-S360 PolarHBondContact O-OG 3.03Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.39Å; S360-N364 WeakPolarHBondContact O-CB 3.45Å; S360-R397 WeakPolarHBondContact O-CB 3.16Å; S360-R397 WeakPolarHBondContact OG-CD 3.38Å; S360-R397 PolarHBondContact OG-NH1 2.92Å
361Q94.6Very high92.8Very high100 Ų10036.4 Ų36.447%0.46719%0.192SC..Hα-helixtrans-78.4-46.7179.7-68-174.39.600111.3E357 L358 I359 N364E357-Q361 HydrophobicContact CG-CG 4.23Å; E357-Q361 WeakPolarHBondContact O-CG 3.44Å; E357-Q361 PolarHBondContact O-N 2.98Å; E357-Q361 PolarHBondContact OE1-NE2 3.49Å; L358-Q361 PolarHBondContact O-N 2.9Å; I359-Q361 VanDerWaalsContact C-N 3.33Å; I359-Q361 PolarHBondContact O-N 2.87Å; Q361-N364 PolarHBondContact O-ND2 3.29Å
362Q95.8Very high93.1Very high55 Ų5536 Ų3626%0.25719%0.189SC..Hα-helixtrans-74.5-40.8-171.2-168.9162.2-66.900112.1L333 K334 P335 L358L333-Q362 PolarHBondContact O-NE2 3.35Å; K334-Q362 PolarHBondContact O-NE2 3.08Å; K334-Q362 VanDerWaalsContact O-NE2 3.1Å; P335-Q362 VanDerWaalsContact CA-CD 3.42Å; P335-Q362 VanDerWaalsContact CA-NE2 3.31Å; P335-Q362 HydrophobicContact CB-CG 4.4Å; P335-Q362 VanDerWaalsContact N-NE2 3.14Å; L358-Q362 HydrophobicContact CD2-CB 4.36Å; L358-Q362 WeakPolarHBondContact O-CB 3.38Å; L358-Q362 PolarHBondContact O-N 3.36Å
363Y96.9Very high93.2Very high2 Ų233.3 Ų33.31%0.00817%0.173CC..SBendtrans-108.519.1-171.9-51.3-62.2000114.1L333 K334 L337 L339 I359 K365 T366 L367L333-Y363 VanDerWaalsContact CA-OH 3.28Å; L333-Y363 WeakPolarHBondContact CA-OH 3.17Å; L333-Y363 HydrophobicContact CB-CE2 4.25Å; L333-Y363 WeakPolarHBondContact CB-OH 3.33Å; L333-Y363 HydrophobicContact CD2-CE2 3.93Å; L333-Y363 HydrophobicContact CG-CE2 4.47Å; K334-Y363 PolarHBondContact N-OH 2.85Å; K334-Y363 PolarHBondContact O-OH 3.05Å; L337-Y363 HydrophobicContact CB-CE1 4Å; L337-Y363 WeakPolarHBondContact O-CD1 3.42Å; L337-Y363 WeakPolarHBondContact O-CE1 3.36Å; L339-Y363 HydrophobicContact CB-CD1 3.69Å; L339-Y363 HydrophobicContact CB-CD2 4.31Å; L339-Y363 HydrophobicContact CB-CE1 3.84Å; L339-Y363 HydrophobicContact CB-CE2 4.43Å; L339-Y363 HydrophobicContact CB-CG 3.91Å; L339-Y363 HydrophobicContact CD2-CD1 4.47Å; L339-Y363 HydrophobicContact CD2-CD2 3.6Å; L339-Y363 HydrophobicContact CD2-CE1 4.46Å; L339-Y363 HydrophobicContact CD2-CE2 3.58Å; L339-Y363 HydrophobicContact CD2-CG 4.03Å; I359-Y363 HydrophobicContact CB-CD2 4.45Å; I359-Y363 HydrophobicContact CG2-CD2 4.22Å; I359-Y363 PolarHBondContact O-N 3.17Å; Y363-K365 PolarHBondContact O-N 3.28Å; Y363-T366 PolarHBondContact O-N 2.85Å; Y363-T366 PolarHBondContact O-OG1 3.4Å; Y363-L367 WeakPolarHBondContact O-CB 3.48Å; Y363-L367 PolarHBondContact O-N 3.49Å
364N96.2Very high93.2Very high54 Ų5430.7 Ų30.729%0.28916%0.158SC..THydrogen-bonded Turntrans-54.2-24.6-179.357.228.7000115.3S360 Q361 R397S360-N364 WeakPolarHBondContact O-CB 3.45Å; Q361-N364 PolarHBondContact O-ND2 3.29Å; N364-R397 HydrophobicContact CB-CB 4.26Å
365K95.5Very high92.7Very high157 Ų15732.5 Ų32.568%0.68316%0.16SC*.THydrogen-bonded Turntrans-94.9-19-178.8-76.8166.2-169.21790113.8Y363 K400Y363-K365 PolarHBondContact O-N 3.28Å; K365-K400 WeakPolarHBondContact O-CD 3.44Å; K365-K400 VanDerWaalsContact O-CE 3.29Å; K365-K400 WeakPolarHBondContact O-CE 3.39Å; K365-K400 PolarHBondContact O-NZ 2.79Å
366T96.1Very high91.9Very high46 Ų4633.5 Ų33.528%0.28217%0.168SC..THydrogen-bonded Turntrans-115.6-35.6-170.155.20000112.4L339 E340 Y363 T368L339-T366 CarbonylContact O-C 3.3Å; L339-T366 VanDerWaalsContact O-C 3.22Å; L339-T366 WeakPolarHBondContact O-CB 2.99Å; L339-T366 PolarHBondContact O-OG1 3.3Å; E340-T366 WeakPolarHBondContact CA-O 3.12Å; Y363-T366 PolarHBondContact O-N 2.85Å; Y363-T366 PolarHBondContact O-OG1 3.4Å; T366-T368 PolarHBondContact O-N 2.91Å
367L97.4Very high91Very high0 Ų040.1 Ų40.10%021%0.211CC..  trans-65.9121.8-174.5-166.371.4000111.7L339 L342 I359 Y363 F370 L394L339-L367 HydrophobicContact CG-CD1 4.38Å; L339-L367 PolarHBondContact O-N 3.01Å; L342-L367 HydrophobicContact CB-CD1 4.18Å; I359-L367 HydrophobicContact CG2-CD2 4.04Å; Y363-L367 WeakPolarHBondContact O-CB 3.48Å; Y363-L367 PolarHBondContact O-N 3.49Å; L367-F370 HydrophobicContact CD2-CB 4.32Å; L367-L394 HydrophobicContact CD2-CD1 4.47Å; L367-L394 HydrophobicContact CD2-CD2 4.28Å
368T95.2Very high90.6Very high25 Ų2539.9 Ų39.915%0.15321%0.213CC..  trans-115.7-29.6175.560.90000112.3E340 T366 K400 A402 V403E340-T368 HydrophobicContact CG-CG2 4.13Å; E340-T368 WeakPolarHBondContact CG-OG1 3.39Å; E340-T368 PolarHBondContact O-N 2.86Å; E340-T368 PolarHBondContact O-OG1 3.25Å; T366-T368 PolarHBondContact O-N 2.91Å; T368-K400 HydrophobicContact CG2-CB 4.06Å; T368-A402 PolarHBondContact O-N 3.31Å; T368-V403 PolarHBondContact O-N 3.48Å
369D93.3Very high90.3Very high11 Ų1140.1 Ų40.16%0.05921%0.214CC..EExtended strand (participates in β ladder)trans-130.2119.8-172.2-62.7-142.1000109E340 R341 L342 L371 V403E340-D369 PolarHBondContact O-N 3.42Å; E340-D369 VanDerWaalsContact O-N 3.13Å; R341-D369 WeakPolarHBondContact CA-O 3.48Å; R341-D369 HydrophobicContact CB-CB 3.89Å; R341-D369 HydrophobicContact CG-CB 3.68Å; R341-D369 IonicContact CZ-OD1 2.78Å; R341-D369 IonicContact NE-OD1 3.43Å; R341-D369 PolarHBondContact NE-OD1 2.83Å; R341-D369 IonicContact NH2-OD1 3.56Å; R341-D369 PolarHBondContact NH2-OD1 3.28Å; L342-D369 PolarHBondContact N-O 2.73Å; D369-L371 HydrophobicContact CB-CD1 4.44Å; D369-V403 HydrophobicContact CB-CB 4.17Å
370F94.9Very high89.9Confident0 Ų041.3 Ų41.30%022%0.222CC..EExtended strand (participates in β ladder)trans-129118.1175.7-174-109.1000109.8L342 L344 L356 L367 L372 L391 L394 L401 V403 L404 V405L342-F370 HydrophobicContact CB-CD2 4.18Å; L342-F370 HydrophobicContact CD2-CD2 4.17Å; L342-F370 HydrophobicContact CD2-CE2 3.86Å; L342-F370 HydrophobicContact CG-CD2 4.35Å; L342-F370 HydrophobicContact CG-CE2 4.28Å; L342-F370 WeakPolarHBondContact O-CA 3.36Å; L344-F370 HydrophobicContact CD1-CE2 4.13Å; L344-F370 HydrophobicContact CD1-CZ 4.23Å; L356-F370 HydrophobicContact CD2-CE1 4.14Å; L356-F370 HydrophobicContact CD2-CE2 4.32Å; L356-F370 HydrophobicContact CD2-CZ 3.49Å; L356-F370 VanDerWaalsContact CD2-CZ 3.49Å; L367-F370 HydrophobicContact CD2-CB 4.32Å; F370-L372 HydrophobicContact CE1-CB 3.84Å; F370-L372 HydrophobicContact CE1-CD2 4.44Å; F370-L372 HydrophobicContact CZ-CB 4.15Å; F370-L391 HydrophobicContact CE1-CD2 3.88Å; F370-L394 HydrophobicContact CD1-CD1 3.97Å; F370-L394 HydrophobicContact CD2-CD1 4.32Å; F370-L394 HydrophobicContact CE1-CD1 4.05Å; F370-L394 HydrophobicContact CE2-CD1 4.4Å; F370-L394 HydrophobicContact CG-CD1 4.11Å; F370-L394 HydrophobicContact CZ-CD1 4.28Å; F370-L401 HydrophobicContact CB-CD1 4.04Å; F370-V403 PolarHBondContact N-O 3.09Å; F370-L404 HydrophobicContact CB-CD1 4.34Å; F370-L404 HydrophobicContact CD1-CD1 3.7Å; F370-L404 WeakPolarHBondContact O-CA 3.44Å; F370-V405 PolarHBondContact O-N 3.11Å
371L92Very high89.6Confident6 Ų643.2 Ų43.23%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-118.6125.3177.1-65.378.9000107.8L342 H343 L344 D369 V403 V405L342-L371 PolarHBondContact O-N 3.43Å; H343-L371 HydrophobicContact CB-CB 4.31Å; L344-L371 PolarHBondContact N-O 2.99Å; D369-L371 HydrophobicContact CB-CD1 4.44Å; L371-V403 HydrophobicContact CD1-CG1 4.44Å; L371-V405 HydrophobicContact CB-CB 4.33Å; L371-V405 HydrophobicContact CD2-CB 4.43Å; L371-V405 HydrophobicContact CD2-CG2 4.29Å; L371-V405 HydrophobicContact CG-CB 3.98Å; L371-V405 HydrophobicContact CG-CG2 4.01Å
372L91.8Very high89Confident0 Ų039.2 Ų39.20%021%0.213CC..EExtended strand (participates in β ladder)trans-126101.9178.217965.3000108.1L344 V351 F370 L382 L391 V405 V406 H407 Y409L344-L372 HydrophobicContact CB-CD1 4.08Å; L344-L372 HydrophobicContact CD1-CD1 4.22Å; V351-L372 HydrophobicContact CB-CD1 4.35Å; V351-L372 HydrophobicContact CG2-CD1 3.78Å; F370-L372 HydrophobicContact CE1-CB 3.84Å; F370-L372 HydrophobicContact CE1-CD2 4.44Å; F370-L372 HydrophobicContact CZ-CB 4.15Å; L372-L382 HydrophobicContact CD2-CD1 3.82Å; L372-L391 HydrophobicContact CD2-CD2 4.42Å; L372-V405 PolarHBondContact N-O 3.41Å; L372-V406 WeakPolarHBondContact O-CA 3.35Å; L372-H407 PolarHBondContact O-N 3.28Å; L372-Y409 HydrophobicContact CD1-CD2 4.36Å; L372-Y409 HydrophobicContact CD1-CE2 3.63Å; L372-Y409 HydrophobicContact CD2-CD1 4.28Å; L372-Y409 HydrophobicContact CD2-CD2 3.78Å; L372-Y409 HydrophobicContact CD2-CE1 4.34Å; L372-Y409 HydrophobicContact CD2-CE2 3.88Å; L372-Y409 HydrophobicContact CD2-CG 4.02Å; L372-Y409 HydrophobicContact CG-CD2 3.67Å; L372-Y409 HydrophobicContact CG-CE2 3.43Å; L372-Y409 VanDerWaalsContact CG-CE2 3.43Å; L372-Y409 HydrophobicContact CG-CG 4.4Å
373L87.1Confident88.2Confident3 Ų337.4 Ų37.42%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-116.9139.5-176-52.8-176.9000109.7H343 L344 S346 V405 H407 L477H343-L373 VanDerWaalsContact NE2-CD1 3.25Å; H343-L373 WeakPolarHBondContact NE2-CD1 3.37Å; L344-L373 PolarHBondContact O-N 2.94Å; S346-L373 PolarHBondContact N-O 2.85Å; S346-L373 VanDerWaalsContact N-O 3.14Å; L373-V405 HydrophobicContact CD2-CG1 3.73Å; L373-H407 CarbonylContact C-O 3.54Å; L373-H407 WeakPolarHBondContact CA-O 3.4Å; L373-H407 HydrophobicContact CD2-CB 3.81Å; L373-L477 HydrophobicContact CD1-CD2 3.98Å
374R85.1Confident87.2Confident12 Ų1242 Ų425%0.04524%0.238CC..EExtended strand (participates in β ladder)trans-145.9128.1170.8170.1159.9-170.7-87.12.1111.4S346 A376 D378 H407 G408 Y409S346-R374 WeakPolarHBondContact O-CA 3.46Å; S346-R374 VanDerWaalsContact O-CB 3.31Å; S346-R374 WeakPolarHBondContact O-CB 3.32Å; S346-R374 VanDerWaalsContact O-CG 3.23Å; S346-R374 WeakPolarHBondContact O-CG 3.48Å; R374-A376 HydrophobicContact CG-CB 3.94Å; R374-D378 IonicContact CZ-OD1 3.61Å; R374-D378 IonicContact CZ-OD2 3.29Å; R374-D378 PolarHBondContact NH1-O 3.39Å; R374-D378 IonicContact NH1-OD1 3.54Å; R374-D378 PolarHBondContact NH1-OD1 2.95Å; R374-D378 IonicContact NH1-OD2 3.33Å; R374-D378 PolarHBondContact NH1-OD2 3.42Å; R374-D378 IonicContact NH2-OD1 3.55Å; R374-D378 PolarHBondContact NH2-OD1 3.35Å; R374-D378 IonicContact NH2-OD2 3.32Å; R374-D378 PolarHBondContact NH2-OD2 3.35Å; R374-H407 PolarHBondContact N-O 3.48Å; R374-H407 PolarHBondContact O-CD2 3.2Å; R374-H407 PolarHBondContact O-NE2 3.29Å; R374-G408 WeakPolarHBondContact O-CA 3.39Å; R374-Y409 HydrophobicContact CB-CD2 4.15Å; R374-Y409 HydrophobicContact CB-CE2 3.48Å; R374-Y409 VanDerWaalsContact CB-CE2 3.48Å
375D76.9Confident85.9Confident71 Ų7146.3 Ų46.338%0.3826%0.261SS..  trans-109.277.6-179.4-179.223.1000109S346 W347S346-D375 PolarHBondContact O-N 3.4Å; W347-D375 VanDerWaalsContact CD1-O 3.24Å; W347-D375 PolarHBondContact NE1-OD2 2.93Å
376A74.1Confident84.7Confident22 Ų2240.7 Ų40.718%0.18224%0.241CC..  trans-146.2150.3-178.600000110.6W347 R374 D378W347-A376 WeakPolarHBondContact O-CB 3.32Å; R374-A376 HydrophobicContact CG-CB 3.94Å; A376-D378 VanDerWaalsContact C-N 3.31Å; A376-D378 PolarHBondContact O-N 3.49Å
377P73.1Confident83.8Confident138 Ų13847 Ų4790%0.89627%0.273SS*.SBendtrans-71.2-25.4-172.728.2-35.4000113.5
378D83.9Confident83.2Confident82 Ų8253 Ų5344%0.43930%0.301SS..SBendtrans-86143.6174.262.4-56.4000110.5R374 A376 P380R374-D378 IonicContact CZ-OD1 3.61Å; R374-D378 IonicContact CZ-OD2 3.29Å; R374-D378 PolarHBondContact NH1-O 3.39Å; R374-D378 IonicContact NH1-OD1 3.54Å; R374-D378 PolarHBondContact NH1-OD1 2.95Å; R374-D378 IonicContact NH1-OD2 3.33Å; R374-D378 PolarHBondContact NH1-OD2 3.42Å; R374-D378 IonicContact NH2-OD1 3.55Å; R374-D378 PolarHBondContact NH2-OD1 3.35Å; R374-D378 IonicContact NH2-OD2 3.32Å; R374-D378 PolarHBondContact NH2-OD2 3.35Å; A376-D378 VanDerWaalsContact C-N 3.31Å; A376-D378 PolarHBondContact O-N 3.49Å; D378-P380 WeakPolarHBondContact O-CD 3.01Å
379L85Confident83Confident58 Ų5852.3 Ų52.330%0.30430%0.296SS..  trans-111.6101.1177.3-66.1166.9000108.9G408 I410 E435L379-G408 VanDerWaalsContact CD2-C 3.43Å; L379-I410 HydrophobicContact CB-CD1 4.3Å; L379-I410 HydrophobicContact CB-CG1 3.66Å; L379-I410 WeakPolarHBondContact O-CD1 3.42Å; L379-I410 VanDerWaalsContact O-CG1 3.31Å; L379-I410 WeakPolarHBondContact O-CG1 3.41Å; L379-E435 WeakPolarHBondContact CD1-O 3.43Å; L379-E435 HydrophobicContact CD2-CG 4.49Å
380P88.3Confident83Confident25 Ų2552.1 Ų52.116%0.16230%0.296CS..  trans-67.7139.717626.8-37.9000110.7L350 D378 G408 Y409 I410L350-P380 HydrophobicContact CD2-CB 3.92Å; L350-P380 HydrophobicContact CD2-CG 3.62Å; D378-P380 WeakPolarHBondContact O-CD 3.01Å; P380-G408 WeakPolarHBondContact CD-O 3.43Å; P380-Y409 HydrophobicContact CB-CD1 4.41Å; P380-Y409 HydrophobicContact CG-CD1 3.54Å; P380-Y409 HydrophobicContact CG-CE1 3.73Å; P380-Y409 HydrophobicContact CG-CG 4.29Å; P380-I410 PolarHBondContact O-N 2.9Å
381D87.8Confident83Confident40 Ų4052.2 Ų52.221%0.21430%0.296CS..BIsolated β-bridgetrans-97116.5169.3177.15000109.6G383 V384 I410 W412D381-G383 PolarHBondContact O-N 2.95Å; D381-G383 PolarHBondContact OD1-N 2.86Å; D381-V384 HydrophobicContact CB-CG2 3.46Å; D381-V384 VanDerWaalsContact CB-CG2 3.46Å; D381-V384 VanDerWaalsContact CG-CG2 3.5Å; D381-V384 WeakPolarHBondContact O-CG2 3.34Å; D381-V384 WeakPolarHBondContact OD2-CG2 3.31Å; D381-I410 HydrophobicContact CB-CB 3.93Å; D381-I410 HydrophobicContact CB-CD1 3.97Å; D381-I410 HydrophobicContact CB-CG1 4.37Å; D381-I410 HydrophobicContact CB-CG2 4.38Å; D381-W412 PolarHBondContact OD2-NE1 3.38Å
382L83.4Confident83.2Confident16 Ų1653.2 Ų53.28%0.08430%0.303CS..THydrogen-bonded Turntrans-71.7-20-179.5-64.3166.9000112.6V351 L356 L372 P390 L391 Y409V351-L382 WeakPolarHBondContact O-CD2 3.46Å; L356-L382 HydrophobicContact CD1-CD1 3.79Å; L356-L382 HydrophobicContact CD1-CD2 4.12Å; L356-L382 HydrophobicContact CD1-CG 4.42Å; L372-L382 HydrophobicContact CD2-CD1 3.82Å; L382-P390 HydrophobicContact CB-CG 3.68Å; L382-L391 HydrophobicContact CD1-CD1 3.84Å; L382-L391 HydrophobicContact CD1-CD2 4.47Å; L382-L391 HydrophobicContact CD1-CG 4.07Å; L382-Y409 HydrophobicContact CD1-CD1 3.89Å; L382-Y409 HydrophobicContact CD1-CG 4.37Å; L382-Y409 HydrophobicContact CD2-CD1 3.84Å; L382-Y409 HydrophobicContact CD2-CE1 3.9Å; L382-Y409 HydrophobicContact CG-CD1 3.77Å; L382-Y409 HydrophobicContact CG-CE1 4.35Å
383G78.3Confident83.3Confident17 Ų1754.5 Ų54.518%0.17531%0.309CS..THydrogen-bonded Turntrans-89.4-8.7-176.500000114.9D381 N385 C386D381-G383 PolarHBondContact O-N 2.95Å; D381-G383 PolarHBondContact OD1-N 2.86Å; G383-N385 PolarHBondContact O-N 3.12Å; G383-N385 VanDerWaalsContact O-N 3.13Å; G383-C386 PolarHBondContact O-N 2.96Å; G383-C386 VanDerWaalsContact O-O 3.09Å
384V75.6Confident83.7Confident99 Ų9954.4 Ų54.460%0.631%0.309SS*.THydrogen-bonded Turntrans-56.7-36.4-171177.90000113.2D381D381-V384 HydrophobicContact CB-CG2 3.46Å; D381-V384 VanDerWaalsContact CB-CG2 3.46Å; D381-V384 VanDerWaalsContact CG-CG2 3.5Å; D381-V384 WeakPolarHBondContact O-CG2 3.34Å; D381-V384 WeakPolarHBondContact OD2-CG2 3.31Å
385N68.6Low84.3Confident145 Ų14553.9 Ų53.978%0.77531%0.307SS*.THydrogen-bonded Turntrans-101.67.2-176.3-63.8-41.4000113.2G383G383-N385 PolarHBondContact O-N 3.12Å; G383-N385 VanDerWaalsContact O-N 3.13Å
386C71.6Confident85.2Confident39 Ų3956.8 Ų56.826%0.26431%0.313SS..  trans-121.6144.7-173.9-54.90000111D353 G383 E388D353-C386 VanDerWaalsContact CB-SG 3.59Å; D353-C386 PolarHBondContact OD2-SG 2.98Å; D353-C386 VanDerWaalsContact OD2-SG 3.39Å; G383-C386 PolarHBondContact O-N 2.96Å; G383-C386 VanDerWaalsContact O-O 3.09Å; C386-E388 WeakPolarHBondContact CB-O 3.32Å; C386-E388 PolarHBondContact O-N 3.4Å
387N76.7Confident86.3Confident179 Ų17958.5 Ų58.596%0.95731%0.314SS*.SBendtrans-68.4-27170.9-69.1-24000112
388E85.2Confident87.4Confident124 Ų12451.9 Ų51.958%0.57927%0.272SS*.SBendtrans-130.2139-175.5-64.8171.7160.300108.6C386 L393C386-E388 WeakPolarHBondContact CB-O 3.32Å; C386-E388 PolarHBondContact O-N 3.4Å; E388-L393 HydrophobicContact CB-CD1 3.98Å; E388-L393 HydrophobicContact CB-CD2 4.43Å; E388-L393 HydrophobicContact CB-CG 4.16Å; E388-L393 WeakPolarHBondContact OE2-CD2 3.25Å
389D91.1Very high87.9Confident12 Ų1253.2 Ų53.26%0.06427%0.273CS..  trans-65.9128.2-179.9178.2-72.3000111.2L391 V392 L393 N415D389-L391 VanDerWaalsContact C-N 3.29Å; D389-L391 PolarHBondContact O-N 2.9Å; D389-L391 WeakPolarHBondContact OD1-CA 3.27Å; D389-L391 WeakPolarHBondContact OD1-CB 3.4Å; D389-L391 PolarHBondContact OD1-N 3.04Å; D389-V392 HydrophobicContact CB-CB 4.05Å; D389-V392 HydrophobicContact CB-CG2 3.74Å; D389-V392 WeakPolarHBondContact O-CB 3.36Å; D389-V392 PolarHBondContact O-N 3.06Å; D389-V392 PolarHBondContact OD1-N 3.07Å; D389-L393 PolarHBondContact O-N 3.3Å; D389-N415 HydrophobicContact CB-CB 4.46Å; D389-N415 VanDerWaalsContact CB-ND2 3.29Å; D389-N415 WeakPolarHBondContact CB-ND2 3.2Å; D389-N415 VanDerWaalsContact CG-ND2 3.29Å; D389-N415 PolarHBondContact OD2-ND2 3.32Å
390P92.6Very high88.4Confident7 Ų756.5 Ų56.55%0.04529%0.285CS..Hα-helixtrans-66.4-28.7-174.424.2-32.8000113.2L356 L382 L393 L394L356-P390 HydrophobicContact CB-CB 4.06Å; L356-P390 HydrophobicContact CD1-CB 3.97Å; L356-P390 HydrophobicContact CD1-CG 4.01Å; L382-P390 HydrophobicContact CB-CG 3.68Å; P390-L393 PolarHBondContact O-N 3.39Å; P390-L394 WeakPolarHBondContact O-CB 3.14Å; P390-L394 PolarHBondContact O-N 2.66Å
391L94.8Very high88.9Confident2 Ų255.3 Ų55.31%0.0128%0.277CS..Hα-helixtrans-77.2-34.6177.3-61.9176.2000111.3L356 F370 L372 L382 D389 L393 L394 A395 V406 M411 I419L356-L391 HydrophobicContact CD1-CD2 4.25Å; F370-L391 HydrophobicContact CE1-CD2 3.88Å; L372-L391 HydrophobicContact CD2-CD2 4.42Å; L382-L391 HydrophobicContact CD1-CD1 3.84Å; L382-L391 HydrophobicContact CD1-CD2 4.47Å; L382-L391 HydrophobicContact CD1-CG 4.07Å; D389-L391 VanDerWaalsContact C-N 3.29Å; D389-L391 PolarHBondContact O-N 2.9Å; D389-L391 WeakPolarHBondContact OD1-CA 3.27Å; D389-L391 WeakPolarHBondContact OD1-CB 3.4Å; D389-L391 PolarHBondContact OD1-N 3.04Å; L391-L393 VanDerWaalsContact C-N 3.35Å; L391-L394 PolarHBondContact O-N 2.75Å; L391-A395 WeakPolarHBondContact O-CB 3.37Å; L391-A395 PolarHBondContact O-N 3.2Å; L391-V406 HydrophobicContact CD1-CG1 4.39Å; L391-V406 HydrophobicContact CD1-CG2 4.18Å; L391-M411 HydrophobicContact CB-CE 4.46Å; L391-M411 HydrophobicContact CD1-CE 3.32Å; L391-I419 HydrophobicContact CB-CD1 4.19Å
392V95.5Very high89.2Confident27 Ų2753.6 Ų53.616%0.16427%0.269CS..Hα-helixtrans-61.1-45.6168.2177.60000110.2D389 L394 A395 W396 N415 A418 I419 L422D389-V392 HydrophobicContact CB-CB 4.05Å; D389-V392 HydrophobicContact CB-CG2 3.74Å; D389-V392 WeakPolarHBondContact O-CB 3.36Å; D389-V392 PolarHBondContact O-N 3.06Å; D389-V392 PolarHBondContact OD1-N 3.07Å; V392-L394 PolarHBondContact O-N 3.29Å; V392-A395 PolarHBondContact O-N 3.15Å; V392-W396 WeakPolarHBondContact O-CB 3.12Å; V392-W396 PolarHBondContact O-N 3.14Å; V392-N415 HydrophobicContact CG2-CB 3.61Å; V392-A418 HydrophobicContact CG1-CB 4.36Å; V392-A418 HydrophobicContact CG2-CB 4.43Å; V392-I419 HydrophobicContact CB-CG1 4.49Å; V392-I419 HydrophobicContact CG2-CD1 4.26Å; V392-I419 HydrophobicContact CG2-CG1 4Å; V392-L422 HydrophobicContact CG1-CD1 4.01Å
393L94.6Very high89.7Confident27 Ų2753.9 Ų53.914%0.14127%0.271CS..Hα-helixtrans-62.9-40.5176.6-73.7178.5000112.6E388 D389 P390 L391 W396 R397E388-L393 HydrophobicContact CB-CD1 3.98Å; E388-L393 HydrophobicContact CB-CD2 4.43Å; E388-L393 HydrophobicContact CB-CG 4.16Å; E388-L393 WeakPolarHBondContact OE2-CD2 3.25Å; D389-L393 PolarHBondContact O-N 3.3Å; P390-L393 PolarHBondContact O-N 3.39Å; L391-L393 VanDerWaalsContact C-N 3.35Å; L393-W396 HydrophobicContact CD2-CE3 4.15Å; L393-W396 PolarHBondContact O-N 3.18Å; L393-R397 WeakPolarHBondContact O-CB 3.24Å; L393-R397 WeakPolarHBondContact O-CG 3.46Å; L393-R397 PolarHBondContact O-N 2.87Å
394L96.2Very high90.4Very high1 Ų153.1 Ų53.11%0.00526%0.263CS..Hα-helixtrans-60.6-51174.1-172.3155.8000111I359 L367 F370 P390 L391 V392 W396 R397 C398 L401I359-L394 HydrophobicContact CG2-CD1 4.36Å; L367-L394 HydrophobicContact CD2-CD1 4.47Å; L367-L394 HydrophobicContact CD2-CD2 4.28Å; F370-L394 HydrophobicContact CD1-CD1 3.97Å; F370-L394 HydrophobicContact CD2-CD1 4.32Å; F370-L394 HydrophobicContact CE1-CD1 4.05Å; F370-L394 HydrophobicContact CE2-CD1 4.4Å; F370-L394 HydrophobicContact CG-CD1 4.11Å; F370-L394 HydrophobicContact CZ-CD1 4.28Å; P390-L394 WeakPolarHBondContact O-CB 3.14Å; P390-L394 PolarHBondContact O-N 2.66Å; L391-L394 PolarHBondContact O-N 2.75Å; V392-L394 PolarHBondContact O-N 3.29Å; L394-W396 PolarHBondContact O-N 3.5Å; L394-R397 PolarHBondContact O-N 3.46Å; L394-C398 HydrophobicContact CD2-CB 4.45Å; L394-C398 VanDerWaalsContact O-CB 3.25Å; L394-C398 WeakPolarHBondContact O-CB 3.37Å; L394-C398 PolarHBondContact O-N 2.95Å; L394-C398 PolarHBondContact O-SG 2.87Å; L394-L401 HydrophobicContact CD2-CD1 4.19Å; L394-L401 HydrophobicContact CD2-CD2 3.79Å
395A96.6Very high91.2Very high0 Ų048.8 Ų48.80%024%0.237CC..Hα-helixtrans-62.6-31.2176.900000112.6L391 V392 L401 I419 R423L391-A395 WeakPolarHBondContact O-CB 3.37Å; L391-A395 PolarHBondContact O-N 3.2Å; V392-A395 PolarHBondContact O-N 3.15Å; A395-L401 HydrophobicContact CB-CD2 4.31Å; A395-I419 HydrophobicContact CB-CB 4.31Å; A395-I419 HydrophobicContact CB-CG1 3.95Å; A395-I419 HydrophobicContact CB-CG2 3.9Å; A395-R423 HydrophobicContact CB-CG 4.36Å; A395-R423 VanDerWaalsContact O-CD 3.3Å; A395-R423 WeakPolarHBondContact O-CD 3.17Å; A395-R423 PolarHBondContact O-NE 3.01Å
396W96.3Very high92.3Very high133 Ų13341.9 Ų41.950%0.50420%0.2SC..Hα-helixtrans-71.9-47.4174.9179.764000112V392 L393 L394 K399 L422V392-W396 WeakPolarHBondContact O-CB 3.12Å; V392-W396 PolarHBondContact O-N 3.14Å; L393-W396 HydrophobicContact CD2-CE3 4.15Å; L393-W396 PolarHBondContact O-N 3.18Å; L394-W396 PolarHBondContact O-N 3.5Å; W396-K399 WeakPolarHBondContact O-CD 3.41Å; W396-K399 WeakPolarHBondContact O-CE 3.47Å; W396-K399 PolarHBondContact O-NZ 2.93Å; W396-L422 HydrophobicContact CB-CD1 3.93Å
397R96.8Very high93.1Very high57 Ų5740.4 Ų40.422%0.21519%0.189CC..Hα-helixtrans-75.2-44.6-176.2-68.9173.2178.5163.6-1.4112E357 S360 N364 L393 L394 K399E357-R397 IonicContact OE1-NH1 2.62Å; E357-R397 IonicContact OE1-NH2 3.14Å; S360-R397 WeakPolarHBondContact O-CB 3.16Å; S360-R397 WeakPolarHBondContact OG-CD 3.38Å; S360-R397 PolarHBondContact OG-NH1 2.92Å; N364-R397 HydrophobicContact CB-CB 4.26Å; L393-R397 WeakPolarHBondContact O-CB 3.24Å; L393-R397 WeakPolarHBondContact O-CG 3.46Å; L393-R397 PolarHBondContact O-N 2.87Å; L394-R397 PolarHBondContact O-N 3.46Å; R397-K399 PolarHBondContact O-N 2.88Å
398C97Very high93.6Very high0 Ų032 Ų320%014%0.144CC..  trans-80.183.1-175.9-59.80000111.5L394 K400 L401L394-C398 HydrophobicContact CD2-CB 4.45Å; L394-C398 VanDerWaalsContact O-CB 3.25Å; L394-C398 WeakPolarHBondContact O-CB 3.37Å; L394-C398 PolarHBondContact O-N 2.95Å; L394-C398 PolarHBondContact O-SG 2.87Å; C398-K400 PolarHBondContact O-N 2.81Å; C398-K400 VanDerWaalsContact O-N 3.15Å; C398-L401 HydrophobicContact CB-CB 4.15Å; C398-L401 VanDerWaalsContact O-CB 3.24Å; C398-L401 WeakPolarHBondContact O-CB 3.36Å; C398-L401 PolarHBondContact O-N 3.38Å; C398-L401 VanDerWaalsContact O-N 3.08Å
399K95.1Very high93.9Very high109 Ų10926.1 Ų26.147%0.47412%0.117SC..THydrogen-bonded Turntrans-67.1-19.1-172.5-60.1-56.6-174-171.80114.7W396 R397 R423W396-K399 WeakPolarHBondContact O-CD 3.41Å; W396-K399 WeakPolarHBondContact O-CE 3.47Å; W396-K399 PolarHBondContact O-NZ 2.93Å; R397-K399 PolarHBondContact O-N 2.88Å; K399-R423 VanDerWaalsContact CA-NH1 3.3Å; K399-R423 PolarHBondContact O-NH1 2.85Å
400K95.6Very high93.9Very high127 Ų12727.6 Ų27.655%0.55212%0.124SC*.THydrogen-bonded Turntrans-93.41.6177.3-61.3-175.4-175.5164.60113.6K365 T368 C398 A402K365-K400 WeakPolarHBondContact O-CD 3.44Å; K365-K400 VanDerWaalsContact O-CE 3.29Å; K365-K400 WeakPolarHBondContact O-CE 3.39Å; K365-K400 PolarHBondContact O-NZ 2.79Å; T368-K400 HydrophobicContact CG2-CB 4.06Å; C398-K400 PolarHBondContact O-N 2.81Å; C398-K400 VanDerWaalsContact O-N 3.15Å; K400-A402 PolarHBondContact O-N 2.8Å; K400-A402 VanDerWaalsContact O-N 3.15Å
401L97.4Very high93.9Very high0 Ų027.3 Ų27.30%012%0.122CC..  trans-57.5119.7178.3-170.373.9000110.2F370 L394 A395 C398 L404 L427F370-L401 HydrophobicContact CB-CD1 4.04Å; L394-L401 HydrophobicContact CD2-CD1 4.19Å; L394-L401 HydrophobicContact CD2-CD2 3.79Å; A395-L401 HydrophobicContact CB-CD2 4.31Å; C398-L401 HydrophobicContact CB-CB 4.15Å; C398-L401 VanDerWaalsContact O-CB 3.24Å; C398-L401 WeakPolarHBondContact O-CB 3.36Å; C398-L401 PolarHBondContact O-N 3.38Å; C398-L401 VanDerWaalsContact O-N 3.08Å; L401-L404 HydrophobicContact CD2-CB 4.4Å; L401-L427 HydrophobicContact CD2-CD1 4.44Å; L401-L427 HydrophobicContact CG-CD1 4.28Å
402A94.6Very high93.8Very high5 Ų530.1 Ų30.14%0.04113%0.133CC..  trans-122.8-22.1-175.800000112.6T368 K400 L427 R428 V429T368-A402 PolarHBondContact O-N 3.31Å; K400-A402 PolarHBondContact O-N 2.8Å; K400-A402 VanDerWaalsContact O-N 3.15Å; A402-L427 CarbonylContact O-C 3.52Å; A402-R428 WeakPolarHBondContact O-CA 3.38Å; A402-R428 PolarHBondContact O-N 3.13Å; A402-V429 PolarHBondContact O-N 2.67Å
403V92.9Very high93.6Very high21 Ų2129.8 Ų29.813%0.12713%0.132CC..EExtended strand (participates in β ladder)trans-129.4122.8176.3178.40000108.6T368 D369 F370 L371 V405 V429T368-V403 PolarHBondContact O-N 3.48Å; D369-V403 HydrophobicContact CB-CB 4.17Å; F370-V403 PolarHBondContact N-O 3.09Å; L371-V403 HydrophobicContact CD1-CG1 4.44Å; V403-V405 HydrophobicContact CG1-CG2 4.15Å; V403-V429 WeakPolarHBondContact CA-O 3.41Å; V403-V429 HydrophobicContact CB-CB 4.32Å; V403-V429 HydrophobicContact CG1-CB 4.03Å; V403-V429 HydrophobicContact CG1-CG1 4.22Å; V403-V429 HydrophobicContact CG2-CB 4.09Å; V403-V429 HydrophobicContact CG2-CG2 4.16Å
404L94.8Very high93.4Very high1 Ų132.1 Ų32.11%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-129.9119170.6179.960.9000108.9F370 L401 V406 I419 L427 V429 L430 T431F370-L404 HydrophobicContact CB-CD1 4.34Å; F370-L404 HydrophobicContact CD1-CD1 3.7Å; F370-L404 WeakPolarHBondContact O-CA 3.44Å; L401-L404 HydrophobicContact CD2-CB 4.4Å; L404-V406 HydrophobicContact CD1-CG2 4Å; L404-V406 HydrophobicContact CG-CG2 4.16Å; L404-I419 HydrophobicContact CD2-CD1 4.32Å; L404-I419 HydrophobicContact CD2-CG2 3.88Å; L404-L427 HydrophobicContact CB-CD1 4Å; L404-V429 PolarHBondContact N-O 2.9Å; L404-L430 HydrophobicContact CB-CD1 4.18Å; L404-L430 HydrophobicContact CD2-CD1 3.98Å; L404-L430 HydrophobicContact CG-CD1 4.19Å; L404-L430 WeakPolarHBondContact O-CA 3.45Å; L404-T431 PolarHBondContact O-N 3.4Å
405V91.6Very high93.3Very high8 Ų833.1 Ų33.15%0.04815%0.147CC..EExtended strand (participates in β ladder)trans-122.4127.8174.6-175.90000108.3F370 L371 L372 L373 V403 T431 V476F370-V405 PolarHBondContact O-N 3.11Å; L371-V405 HydrophobicContact CB-CB 4.33Å; L371-V405 HydrophobicContact CD2-CB 4.43Å; L371-V405 HydrophobicContact CD2-CG2 4.29Å; L371-V405 HydrophobicContact CG-CB 3.98Å; L371-V405 HydrophobicContact CG-CG2 4.01Å; L372-V405 PolarHBondContact N-O 3.41Å; L373-V405 HydrophobicContact CD2-CG1 3.73Å; V403-V405 HydrophobicContact CG1-CG2 4.15Å; V405-T431 CarbonylContact C-O 3.54Å; V405-T431 WeakPolarHBondContact CA-O 3.48Å; V405-T431 HydrophobicContact CG1-CG2 4.29Å; V405-V476 HydrophobicContact CG1-CG1 4.2Å
406V91.6Very high93.2Very high0 Ų033.1 Ų33.10%015%0.147CC..EExtended strand (participates in β ladder)trans-132.3125.5179.1-176.10000109.2L372 L391 L404 M411 T431 V432 S433L372-V406 WeakPolarHBondContact O-CA 3.35Å; L391-V406 HydrophobicContact CD1-CG1 4.39Å; L391-V406 HydrophobicContact CD1-CG2 4.18Å; L404-V406 HydrophobicContact CD1-CG2 4Å; L404-V406 HydrophobicContact CG-CG2 4.16Å; V406-M411 HydrophobicContact CB-CE 4.19Å; V406-M411 HydrophobicContact CG1-CE 3.97Å; V406-M411 HydrophobicContact CG2-CE 3.93Å; V406-T431 PolarHBondContact N-O 3.46Å; V406-V432 WeakPolarHBondContact O-CA 3.45Å; V406-S433 PolarHBondContact O-N 2.75Å
407H89Confident93.2Very high9 Ų927.6 Ų27.64%0.04213%0.128CC..EExtended strand (participates in β ladder)trans-147.5140.3176.817481.7000109.5L372 L373 R374 Y409 S433 E435 V476 L477L372-H407 PolarHBondContact O-N 3.28Å; L373-H407 CarbonylContact C-O 3.54Å; L373-H407 WeakPolarHBondContact CA-O 3.4Å; L373-H407 HydrophobicContact CD2-CB 3.81Å; R374-H407 PolarHBondContact N-O 3.48Å; R374-H407 PolarHBondContact O-CD2 3.2Å; R374-H407 PolarHBondContact O-NE2 3.29Å; H407-Y409 WeakPolarHBondContact O-CD2 3.49Å; H407-S433 VanDerWaalsContact ND1-CB 3.33Å; H407-S433 WeakPolarHBondContact ND1-CB 3.41Å; H407-S433 PolarHBondContact ND1-OG 3.32Å; H407-E435 IonicContact CE1-OE1 3.39Å; H407-E435 PolarHBondContact CE1-OE1 2.9Å; H407-E435 IonicContact ND1-OE1 3.02Å; H407-E435 PolarHBondContact ND1-OE1 3.22Å; H407-E435 VanDerWaalsContact ND1-OE1 3.16Å; H407-E435 IonicContact NE2-OE1 2.93Å; H407-V476 HydrophobicContact CB-CG1 4.06Å; H407-L477 VanDerWaalsContact CD2-CD1 3.45Å; H407-L477 WeakPolarHBondContact CD2-CD1 3.33Å; H407-L477 WeakPolarHBondContact NE2-CD1 3.43Å
408G87.1Confident93.1Very high1 Ų126.4 Ų26.41%0.0113%0.13CC..SBendtrans8016.7178.900000114.8R374 L379 P380 S436R374-G408 WeakPolarHBondContact O-CA 3.39Å; L379-G408 VanDerWaalsContact CD2-C 3.43Å; P380-G408 WeakPolarHBondContact CD-O 3.43Å; G408-S436 PolarHBondContact N-OG 2.95Å
409Y90.1Very high93.1Very high1 Ų126.4 Ų26.40%0.00413%0.13CC..SBendtrans-136.7146.8177.3-68.1-95.2000109.6L372 R374 P380 L382 H407 M411 S436L372-Y409 HydrophobicContact CD1-CD2 4.36Å; L372-Y409 HydrophobicContact CD1-CE2 3.63Å; L372-Y409 HydrophobicContact CD2-CD1 4.28Å; L372-Y409 HydrophobicContact CD2-CD2 3.78Å; L372-Y409 HydrophobicContact CD2-CE1 4.34Å; L372-Y409 HydrophobicContact CD2-CE2 3.88Å; L372-Y409 HydrophobicContact CD2-CG 4.02Å; L372-Y409 HydrophobicContact CG-CD2 3.67Å; L372-Y409 HydrophobicContact CG-CE2 3.43Å; L372-Y409 VanDerWaalsContact CG-CE2 3.43Å; L372-Y409 HydrophobicContact CG-CG 4.4Å; R374-Y409 HydrophobicContact CB-CD2 4.15Å; R374-Y409 HydrophobicContact CB-CE2 3.48Å; R374-Y409 VanDerWaalsContact CB-CE2 3.48Å; P380-Y409 HydrophobicContact CB-CD1 4.41Å; P380-Y409 HydrophobicContact CG-CD1 3.54Å; P380-Y409 HydrophobicContact CG-CE1 3.73Å; P380-Y409 HydrophobicContact CG-CG 4.29Å; L382-Y409 HydrophobicContact CD1-CD1 3.89Å; L382-Y409 HydrophobicContact CD1-CG 4.37Å; L382-Y409 HydrophobicContact CD2-CD1 3.84Å; L382-Y409 HydrophobicContact CD2-CE1 3.9Å; L382-Y409 HydrophobicContact CG-CD1 3.77Å; L382-Y409 HydrophobicContact CG-CE1 4.35Å; H407-Y409 WeakPolarHBondContact O-CD2 3.49Å; Y409-M411 PolarHBondContact O-N 3.14Å; Y409-S436 WeakPolarHBondContact O-CB 3.48Å; Y409-S436 PolarHBondContact O-OG 3.39Å
410I91.4Very high93.2Very high43 Ų4321.2 Ų21.222%0.22111%0.108CC..BIsolated β-bridgetrans-68.5123.6174.6-63.5177.4000109.3L379 P380 D381 W412L379-I410 HydrophobicContact CB-CD1 4.3Å; L379-I410 HydrophobicContact CB-CG1 3.66Å; L379-I410 WeakPolarHBondContact O-CD1 3.42Å; L379-I410 VanDerWaalsContact O-CG1 3.31Å; L379-I410 WeakPolarHBondContact O-CG1 3.41Å; P380-I410 PolarHBondContact O-N 2.9Å; D381-I410 HydrophobicContact CB-CB 3.93Å; D381-I410 HydrophobicContact CB-CD1 3.97Å; D381-I410 HydrophobicContact CB-CG1 4.37Å; D381-I410 HydrophobicContact CB-CG2 4.38Å; I410-W412 HydrophobicContact CG2-CD2 4.2Å; I410-W412 HydrophobicContact CG2-CG 4.43Å; I410-W412 HydrophobicContact CG2-CZ2 4.19Å
411M92.4Very high93.2Very high1 Ų122.6 Ų22.61%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-116.7100.9174.6178.761.356.800108.8L391 V406 Y409 S413 L416 I419 V432 S436 G438L391-M411 HydrophobicContact CB-CE 4.46Å; L391-M411 HydrophobicContact CD1-CE 3.32Å; V406-M411 HydrophobicContact CB-CE 4.19Å; V406-M411 HydrophobicContact CG1-CE 3.97Å; V406-M411 HydrophobicContact CG2-CE 3.93Å; Y409-M411 PolarHBondContact O-N 3.14Å; M411-S413 PolarHBondContact O-N 2.98Å; M411-L416 HydrophobicContact CG-CB 4.09Å; M411-L416 HydrophobicContact CG-CD1 4.24Å; M411-L416 HydrophobicContact CG-CD2 4.49Å; M411-L416 HydrophobicContact SD-CB 4.28Å; M411-L416 HydrophobicContact SD-CD1 4.36Å; M411-I419 HydrophobicContact SD-CD1 4.24Å; M411-V432 HydrophobicContact CB-CG1 4Å; M411-V432 HydrophobicContact CG-CG1 4.1Å; M411-V432 HydrophobicContact CG-CG2 4.49Å; M411-S436 PolarHBondContact N-O 3.19Å; M411-G438 PolarHBondContact O-N 3.04Å
412W92.7Very high93.2Very high62 Ų6225.3 Ų25.324%0.23512%0.124CC..EExtended strand (participates in β ladder)trans-65.5134.9178.6-64.5102.1000111.8D381 I410 H414 N415 L416 G438 D440D381-W412 PolarHBondContact OD2-NE1 3.38Å; I410-W412 HydrophobicContact CG2-CD2 4.2Å; I410-W412 HydrophobicContact CG2-CG 4.43Å; I410-W412 HydrophobicContact CG2-CZ2 4.19Å; W412-H414 VanDerWaalsContact C-N 3.27Å; W412-H414 VanDerWaalsContact CB-CE1 3.48Å; W412-H414 WeakPolarHBondContact CB-CE1 3.45Å; W412-H414 AromaticContact CG-CE1 3.95Å; W412-H414 PolarHBondContact O-N 2.68Å; W412-N415 HydrophobicContact CB-CB 4.38Å; W412-N415 WeakPolarHBondContact O-CA 3.31Å; W412-N415 WeakPolarHBondContact O-CB 3.24Å; W412-N415 PolarHBondContact O-N 2.95Å; W412-L416 PolarHBondContact O-N 2.82Å; W412-G438 WeakPolarHBondContact CA-O 3.19Å; W412-D440 HydrophobicContact CZ3-CB 4.45Å
413S92.3Very high93.2Very high20 Ų2026.8 Ų26.814%0.1413%0.128CC..Hα-helixtrans-52.2-40.8-17854.10000113.8M411 L416 V417 G438M411-S413 PolarHBondContact O-N 2.98Å; S413-L416 PolarHBondContact O-N 2.96Å; S413-V417 WeakPolarHBondContact O-CG2 3.34Å; S413-V417 PolarHBondContact O-N 3.47Å; S413-G438 PolarHBondContact N-O 3.18Å; S413-G438 PolarHBondContact OG-O 3.41Å
414H90.9Very high93.3Very high75 Ų7526.3 Ų26.335%0.34713%0.128SC..Hα-helixtrans-67.9-35.7177.863.4-92.9000112.6W412 V417 A418W412-H414 VanDerWaalsContact C-N 3.27Å; W412-H414 VanDerWaalsContact CB-CE1 3.48Å; W412-H414 WeakPolarHBondContact CB-CE1 3.45Å; W412-H414 AromaticContact CG-CE1 3.95Å; W412-H414 PolarHBondContact O-N 2.68Å; H414-V417 PolarHBondContact O-N 2.53Å; H414-A418 WeakPolarHBondContact O-CB 3.48Å; H414-A418 PolarHBondContact O-N 2.93Å
415N94.1Very high93.3Very high23 Ų2330.9 Ų30.912%0.12316%0.16CC..Hα-helixtrans-67.9-41.7175-69.6-21.6000111D389 V392 W412 V417 A418 I419D389-N415 HydrophobicContact CB-CB 4.46Å; D389-N415 VanDerWaalsContact CB-ND2 3.29Å; D389-N415 WeakPolarHBondContact CB-ND2 3.2Å; D389-N415 VanDerWaalsContact CG-ND2 3.29Å; D389-N415 PolarHBondContact OD2-ND2 3.32Å; V392-N415 HydrophobicContact CG2-CB 3.61Å; W412-N415 HydrophobicContact CB-CB 4.38Å; W412-N415 WeakPolarHBondContact O-CA 3.31Å; W412-N415 WeakPolarHBondContact O-CB 3.24Å; W412-N415 PolarHBondContact O-N 2.95Å; N415-V417 PolarHBondContact O-N 3.25Å; N415-A418 WeakPolarHBondContact O-CB 3.31Å; N415-A418 PolarHBondContact O-N 3.38Å; N415-A418 VanDerWaalsContact O-N 3.12Å; N415-I419 WeakPolarHBondContact O-CG1 3.16Å; N415-I419 PolarHBondContact O-N 2.99Å
416L94.8Very high93.4Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-62.3-42.9175.9-17159.7000112.2M411 W412 S413 A418 I419 S420 L430 V432 L437 L455 V459 W467M411-L416 HydrophobicContact CG-CB 4.09Å; M411-L416 HydrophobicContact CG-CD1 4.24Å; M411-L416 HydrophobicContact CG-CD2 4.49Å; M411-L416 HydrophobicContact SD-CB 4.28Å; M411-L416 HydrophobicContact SD-CD1 4.36Å; W412-L416 PolarHBondContact O-N 2.82Å; S413-L416 PolarHBondContact O-N 2.96Å; L416-A418 VanDerWaalsContact C-N 3.34Å; L416-A418 PolarHBondContact O-N 2.99Å; L416-I419 PolarHBondContact O-N 3.21Å; L416-S420 WeakPolarHBondContact O-CB 3.09Å; L416-S420 PolarHBondContact O-N 3.41Å; L416-S420 PolarHBondContact O-OG 3.5Å; L416-L430 HydrophobicContact CD1-CD1 4Å; L416-L430 HydrophobicContact CD1-CD2 3.85Å; L416-L430 HydrophobicContact CD1-CG 4.28Å; L416-V432 HydrophobicContact CD1-CG2 3.86Å; L416-V432 HydrophobicContact CD2-CG2 4.4Å; L416-L437 HydrophobicContact CD2-CD2 3.75Å; L416-L455 HydrophobicContact CB-CD1 4.47Å; L416-L455 HydrophobicContact CD2-CD1 4.29Å; L416-L455 HydrophobicContact CD2-CD2 4.23Å; L416-V459 HydrophobicContact CD2-CG2 4.43Å; L416-V459 HydrophobicContact CG-CG2 4.15Å; L416-W467 HydrophobicContact CD2-CH2 3.5Å; L416-W467 VanDerWaalsContact CD2-CH2 3.5Å; L416-W467 HydrophobicContact CD2-CZ2 3.85Å; L416-W467 HydrophobicContact CD2-CZ3 4.27Å
417V94.8Very high93.6Very high16 Ų1633 Ų3310%0.09718%0.175CC..Hα-helixtrans-61-44.1172.5173.80000110.5S413 H414 N415 S420 R421 L455 Q458 V459S413-V417 WeakPolarHBondContact O-CG2 3.34Å; S413-V417 PolarHBondContact O-N 3.47Å; H414-V417 PolarHBondContact O-N 2.53Å; N415-V417 PolarHBondContact O-N 3.25Å; V417-S420 PolarHBondContact O-N 3.07Å; V417-S420 PolarHBondContact O-OG 3.23Å; V417-R421 HydrophobicContact CG1-CG 4.45Å; V417-R421 WeakPolarHBondContact O-CG 3.32Å; V417-R421 PolarHBondContact O-N 3.25Å; V417-L455 HydrophobicContact CG2-CD1 3.6Å; V417-Q458 HydrophobicContact CG1-CB 4.32Å; V417-Q458 HydrophobicContact CG2-CB 3.87Å; V417-V459 HydrophobicContact CG2-CG2 4.19Å
418A95.5Very high93.7Very high32 Ų3240.1 Ų40.126%0.26420%0.202SC..Hα-helixtrans-60-48.2177.500000112.1V392 H414 N415 L416 S420 R421 L422V392-A418 HydrophobicContact CG1-CB 4.36Å; V392-A418 HydrophobicContact CG2-CB 4.43Å; H414-A418 WeakPolarHBondContact O-CB 3.48Å; H414-A418 PolarHBondContact O-N 2.93Å; N415-A418 WeakPolarHBondContact O-CB 3.31Å; N415-A418 PolarHBondContact O-N 3.38Å; N415-A418 VanDerWaalsContact O-N 3.12Å; L416-A418 VanDerWaalsContact C-N 3.34Å; L416-A418 PolarHBondContact O-N 2.99Å; A418-S420 VanDerWaalsContact C-N 3.33Å; A418-S420 PolarHBondContact O-N 3.03Å; A418-R421 PolarHBondContact O-N 3.47Å; A418-L422 WeakPolarHBondContact O-CB 3.49Å; A418-L422 VanDerWaalsContact O-CG 3.27Å; A418-L422 WeakPolarHBondContact O-CG 3.09Å; A418-L422 PolarHBondContact O-N 3.44Å
419I96.8Very high93.8Very high0 Ų042.8 Ų42.80%022%0.218CC..Hα-helixtrans-56.4-48.3175.8-70.1166.1000110.6L391 V392 A395 L404 M411 N415 L416 R421 L422 R423 L427L391-I419 HydrophobicContact CB-CD1 4.19Å; V392-I419 HydrophobicContact CB-CG1 4.49Å; V392-I419 HydrophobicContact CG2-CD1 4.26Å; V392-I419 HydrophobicContact CG2-CG1 4Å; A395-I419 HydrophobicContact CB-CB 4.31Å; A395-I419 HydrophobicContact CB-CG1 3.95Å; A395-I419 HydrophobicContact CB-CG2 3.9Å; L404-I419 HydrophobicContact CD2-CD1 4.32Å; L404-I419 HydrophobicContact CD2-CG2 3.88Å; M411-I419 HydrophobicContact SD-CD1 4.24Å; N415-I419 WeakPolarHBondContact O-CG1 3.16Å; N415-I419 PolarHBondContact O-N 2.99Å; L416-I419 PolarHBondContact O-N 3.21Å; I419-R421 VanDerWaalsContact C-N 3.31Å; I419-R421 PolarHBondContact O-N 3.03Å; I419-L422 PolarHBondContact O-N 2.96Å; I419-R423 PolarHBondContact O-N 3.26Å; I419-R423 VanDerWaalsContact O-N 3.13Å; I419-L427 HydrophobicContact CG2-CD2 4.14Å
420S96.7Very high94Very high0 Ų043.2 Ų43.20%022%0.22CC..Hα-helixtrans-61.8-37.1-179.575.30000112.5L416 V417 A418 G424 S462L416-S420 WeakPolarHBondContact O-CB 3.09Å; L416-S420 PolarHBondContact O-N 3.41Å; L416-S420 PolarHBondContact O-OG 3.5Å; V417-S420 PolarHBondContact O-N 3.07Å; V417-S420 PolarHBondContact O-OG 3.23Å; A418-S420 VanDerWaalsContact C-N 3.33Å; A418-S420 PolarHBondContact O-N 3.03Å; S420-G424 WeakPolarHBondContact O-CA 3.13Å; S420-G424 PolarHBondContact O-N 3.01Å; S420-S462 VanDerWaalsContact OG-CB 3.29Å; S420-S462 WeakPolarHBondContact OG-CB 3.06Å
421R96.3Very high94Very high156 Ų15643 Ų4359%0.58922%0.221SC*.Hα-helixtrans-73.2-38.2175.5-71.2175.1179.8172.81.8112.6V417 A418 I419 R423 S462V417-R421 HydrophobicContact CG1-CG 4.45Å; V417-R421 WeakPolarHBondContact O-CG 3.32Å; V417-R421 PolarHBondContact O-N 3.25Å; A418-R421 PolarHBondContact O-N 3.47Å; I419-R421 VanDerWaalsContact C-N 3.31Å; I419-R421 PolarHBondContact O-N 3.03Å; R421-R423 VanDerWaalsContact C-N 3.34Å; R421-R423 PolarHBondContact O-N 3.41Å; R421-S462 VanDerWaalsContact CG-OG 3.26Å; R421-S462 WeakPolarHBondContact CG-OG 3.49Å
422L96.4Very high94Very high58 Ų5843 Ų4330%0.30422%0.221SC..Hα-helixtrans-63.9-39.2-179.2-79.8173.2000112.3V392 W396 A418 I419V392-L422 HydrophobicContact CG1-CD1 4.01Å; W396-L422 HydrophobicContact CB-CD1 3.93Å; A418-L422 WeakPolarHBondContact O-CB 3.49Å; A418-L422 VanDerWaalsContact O-CG 3.27Å; A418-L422 WeakPolarHBondContact O-CG 3.09Å; A418-L422 PolarHBondContact O-N 3.44Å; I419-L422 PolarHBondContact O-N 2.96Å
423R95.1Very high93.7Very high35 Ų3540.1 Ų40.113%0.13221%0.21CC..Hα-helixtrans-100.5-33.7-178.1-58.2-6581.9-137.9-6.4113.2A395 K399 I419 R421 S425 S426 L427A395-R423 HydrophobicContact CB-CG 4.36Å; A395-R423 VanDerWaalsContact O-CD 3.3Å; A395-R423 WeakPolarHBondContact O-CD 3.17Å; A395-R423 PolarHBondContact O-NE 3.01Å; K399-R423 VanDerWaalsContact CA-NH1 3.3Å; K399-R423 PolarHBondContact O-NH1 2.85Å; I419-R423 PolarHBondContact O-N 3.26Å; I419-R423 VanDerWaalsContact O-N 3.13Å; R421-R423 VanDerWaalsContact C-N 3.34Å; R421-R423 PolarHBondContact O-N 3.41Å; R423-S425 PolarHBondContact O-N 3.1Å; R423-S426 PolarHBondContact O-N 3.48Å; R423-S426 PolarHBondContact O-OG 3.44Å; R423-L427 HydrophobicContact CB-CB 3.61Å; R423-L427 HydrophobicContact CB-CD2 4.31Å; R423-L427 HydrophobicContact CG-CB 4.3Å; R423-L427 HydrophobicContact CG-CD2 4.45Å
424G95.1Very high93.5Very high12 Ų1243.4 Ų43.412%0.12422%0.223CC..G310 helixtrans53.8-134.8-176.100000112.3S420 S426 L427 S462 L463S420-G424 WeakPolarHBondContact O-CA 3.13Å; S420-G424 PolarHBondContact O-N 3.01Å; G424-S426 PolarHBondContact O-N 2.92Å; G424-S426 VanDerWaalsContact O-N 3.16Å; G424-L427 PolarHBondContact O-N 2.86Å; G424-S462 WeakPolarHBondContact CA-O 3.29Å; G424-L463 VanDerWaalsContact O-CD2 3.28Å; G424-L463 WeakPolarHBondContact O-CD2 3.31Å
425S94.3Very high93.3Very high97 Ų9744.5 Ų44.568%0.67823%0.228SC*.G310 helixtrans-65.8-15.3-177.965.20000114.9R423 L427 L463R423-S425 PolarHBondContact O-N 3.1Å; S425-L427 VanDerWaalsContact C-N 3.28Å; S425-L427 PolarHBondContact O-N 3Å; S425-L463 WeakPolarHBondContact CA-O 3.23Å
426S94.1Very high93.1Very high52 Ų5243.4 Ų43.436%0.36422%0.223SC..G310 helixtrans-70.5-27.9178.180.70000112.4R423 G424 R428R423-S426 PolarHBondContact O-N 3.48Å; R423-S426 PolarHBondContact O-OG 3.44Å; G424-S426 PolarHBondContact O-N 2.92Å; G424-S426 VanDerWaalsContact O-N 3.16Å; S426-R428 PolarHBondContact O-N 3.38Å; S426-R428 VanDerWaalsContact O-N 3.16Å
427L95.3Very high92.9Very high0 Ų044.5 Ų44.50%023%0.228CC..  trans-77.995.6172.4-172.463.2000107.8L401 A402 L404 I419 R423 G424 S425 V429 L430 L463 R465L401-L427 HydrophobicContact CD2-CD1 4.44Å; L401-L427 HydrophobicContact CG-CD1 4.28Å; A402-L427 CarbonylContact O-C 3.52Å; L404-L427 HydrophobicContact CB-CD1 4Å; I419-L427 HydrophobicContact CG2-CD2 4.14Å; R423-L427 HydrophobicContact CB-CB 3.61Å; R423-L427 HydrophobicContact CB-CD2 4.31Å; R423-L427 HydrophobicContact CG-CB 4.3Å; R423-L427 HydrophobicContact CG-CD2 4.45Å; G424-L427 PolarHBondContact O-N 2.86Å; S425-L427 VanDerWaalsContact C-N 3.28Å; S425-L427 PolarHBondContact O-N 3Å; L427-V429 WeakPolarHBondContact CD1-O 3.47Å; L427-L430 HydrophobicContact CD2-CB 3.89Å; L427-L430 HydrophobicContact CD2-CD1 4.12Å; L427-L430 HydrophobicContact CD2-CD2 4.16Å; L427-L430 HydrophobicContact CD2-CG 4.27Å; L427-L430 HydrophobicContact CG-CB 4.24Å; L427-L463 HydrophobicContact CB-CD2 4.26Å; L427-L463 HydrophobicContact CD2-CD2 4.35Å; L427-R465 PolarHBondContact O-NH1 3.4Å; L427-R465 PolarHBondContact O-NH2 3.23Å
428R91.4Very high92.7Very high158 Ų15844.2 Ų44.260%0.59623%0.229SC*.  trans-73.6-32.3-175.9-62.9-169-59.6-91.2-2.4113A402 S426 R465A402-R428 WeakPolarHBondContact O-CA 3.38Å; A402-R428 PolarHBondContact O-N 3.13Å; S426-R428 PolarHBondContact O-N 3.38Å; S426-R428 VanDerWaalsContact O-N 3.16Å; R428-R465 PolarHBondContact O-NH2 3.3Å
429V90.1Very high92.3Very high58 Ų5845.9 Ų45.935%0.35223%0.231SC..EExtended strand (participates in β ladder)trans-129.5123.5178-178.50000108A402 V403 L404 L427A402-V429 PolarHBondContact O-N 2.67Å; V403-V429 WeakPolarHBondContact CA-O 3.41Å; V403-V429 HydrophobicContact CB-CB 4.32Å; V403-V429 HydrophobicContact CG1-CB 4.03Å; V403-V429 HydrophobicContact CG1-CG1 4.22Å; V403-V429 HydrophobicContact CG2-CB 4.09Å; V403-V429 HydrophobicContact CG2-CG2 4.16Å; L404-V429 PolarHBondContact N-O 2.9Å; L427-V429 WeakPolarHBondContact CD1-O 3.47Å
430L94Very high91.6Very high9 Ų947.7 Ų47.75%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-131.9106.8170.1174.959.8000106.2L404 L416 L427 V432 V459 L463 W467L404-L430 HydrophobicContact CB-CD1 4.18Å; L404-L430 HydrophobicContact CD2-CD1 3.98Å; L404-L430 HydrophobicContact CG-CD1 4.19Å; L404-L430 WeakPolarHBondContact O-CA 3.45Å; L416-L430 HydrophobicContact CD1-CD1 4Å; L416-L430 HydrophobicContact CD1-CD2 3.85Å; L416-L430 HydrophobicContact CD1-CG 4.28Å; L427-L430 HydrophobicContact CD2-CB 3.89Å; L427-L430 HydrophobicContact CD2-CD1 4.12Å; L427-L430 HydrophobicContact CD2-CD2 4.16Å; L427-L430 HydrophobicContact CD2-CG 4.27Å; L427-L430 HydrophobicContact CG-CB 4.24Å; L430-V432 HydrophobicContact CD1-CG2 4.26Å; L430-V459 HydrophobicContact CD2-CG1 3.98Å; L430-L463 HydrophobicContact CB-CD1 4.37Å; L430-L463 HydrophobicContact CD2-CD1 4.08Å; L430-W467 PolarHBondContact O-NE1 2.94Å
431T91.1Very high90.4Very high40 Ų4052.2 Ų52.225%0.24527%0.269CS..EExtended strand (participates in β ladder)trans-121123.6-178.7-57.70000108.6L404 V405 V406 C470 V476L404-T431 PolarHBondContact O-N 3.4Å; V405-T431 CarbonylContact C-O 3.54Å; V405-T431 WeakPolarHBondContact CA-O 3.48Å; V405-T431 HydrophobicContact CG1-CG2 4.29Å; V406-T431 PolarHBondContact N-O 3.46Å; T431-C470 HydrophobicContact CG2-CB 4.24Å; T431-V476 HydrophobicContact CG2-CG1 4.12Å; T431-V476 HydrophobicContact CG2-CG2 3.96Å
432V91.6Very high89Confident0 Ų051.9 Ų51.90%028%0.275CS..EExtended strand (participates in β ladder)trans-134130174.7-174.70000106.8V406 M411 L416 L430 L437 W467 C470V406-V432 WeakPolarHBondContact O-CA 3.45Å; M411-V432 HydrophobicContact CB-CG1 4Å; M411-V432 HydrophobicContact CG-CG1 4.1Å; M411-V432 HydrophobicContact CG-CG2 4.49Å; L416-V432 HydrophobicContact CD1-CG2 3.86Å; L416-V432 HydrophobicContact CD2-CG2 4.4Å; L430-V432 HydrophobicContact CD1-CG2 4.26Å; V432-L437 HydrophobicContact CG1-CD2 3.85Å; V432-L437 HydrophobicContact CG1-CG 4.43Å; V432-W467 HydrophobicContact CB-CZ2 4.43Å; V432-C470 PolarHBondContact O-N 2.82Å
433S88.1Confident87.4Confident1 Ų153.5 Ų53.51%0.00728%0.28CS..BIsolated β-bridgetrans-69.1149175.466.90000110.8V406 H407 E435 S436V406-S433 PolarHBondContact O-N 2.75Å; H407-S433 VanDerWaalsContact ND1-CB 3.33Å; H407-S433 WeakPolarHBondContact ND1-CB 3.41Å; H407-S433 PolarHBondContact ND1-OG 3.32Å; S433-E435 VanDerWaalsContact C-N 3.26Å; S433-E435 WeakPolarHBondContact CB-OE1 3.12Å; S433-E435 PolarHBondContact O-N 2.98Å; S433-E435 PolarHBondContact OG-OE1 3.38Å; S433-S436 WeakPolarHBondContact O-CB 3.06Å; S433-S436 PolarHBondContact O-N 3.23Å; S433-S436 VanDerWaalsContact O-N 3.1Å; S433-S436 PolarHBondContact OG-OG 2.72Å
434E87.6Confident85.7Confident90 Ų9055 Ų5542%0.42130%0.296SS..G310 helixtrans-58.6-39.8179.8-172.2177.8-161.400111.9S436 L437 P469 C470E434-S436 PolarHBondContact O-N 3.4Å; E434-L437 WeakPolarHBondContact O-CB 3.48Å; E434-L437 PolarHBondContact O-N 3.34Å; E434-L437 VanDerWaalsContact O-N 3.11Å; E434-P469 HydrophobicContact CB-CB 4.3Å; E434-C470 PolarHBondContact N-O 2.7Å
435E86.6Confident83.9Confident97 Ų9760.9 Ų60.945%0.45332%0.323SS..G310 helixtrans-63.7-25.7178.882.9-132.6122.400113.1L379 H407 S433 L437L379-E435 WeakPolarHBondContact CD1-O 3.43Å; L379-E435 HydrophobicContact CD2-CG 4.49Å; H407-E435 IonicContact CE1-OE1 3.39Å; H407-E435 PolarHBondContact CE1-OE1 2.9Å; H407-E435 IonicContact ND1-OE1 3.02Å; H407-E435 PolarHBondContact ND1-OE1 3.22Å; H407-E435 VanDerWaalsContact ND1-OE1 3.16Å; H407-E435 IonicContact NE2-OE1 2.93Å; S433-E435 VanDerWaalsContact C-N 3.26Å; S433-E435 WeakPolarHBondContact CB-OE1 3.12Å; S433-E435 PolarHBondContact O-N 2.98Å; S433-E435 PolarHBondContact OG-OE1 3.38Å; E435-L437 VanDerWaalsContact C-N 3.25Å; E435-L437 PolarHBondContact O-N 2.92Å
436S89.6Confident82.2Confident1 Ų165.8 Ų65.81%0.00733%0.329CS..G310 helixtrans-77.3-11.9-179.6-63.60000111.8G408 Y409 M411 S433 E434 G438G408-S436 PolarHBondContact N-OG 2.95Å; Y409-S436 WeakPolarHBondContact O-CB 3.48Å; Y409-S436 PolarHBondContact O-OG 3.39Å; M411-S436 PolarHBondContact N-O 3.19Å; S433-S436 WeakPolarHBondContact O-CB 3.06Å; S433-S436 PolarHBondContact O-N 3.23Å; S433-S436 VanDerWaalsContact O-N 3.1Å; S433-S436 PolarHBondContact OG-OG 2.72Å; E434-S436 PolarHBondContact O-N 3.4Å; S436-G438 PolarHBondContact O-N 3.02Å
437L91.1Very high80.6Confident22 Ų2265.7 Ų65.712%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-79.3117.7-175.2-67.7179.4000112.8L416 V432 E434 E435 F439 L455 P469L416-L437 HydrophobicContact CD2-CD2 3.75Å; V432-L437 HydrophobicContact CG1-CD2 3.85Å; V432-L437 HydrophobicContact CG1-CG 4.43Å; E434-L437 WeakPolarHBondContact O-CB 3.48Å; E434-L437 PolarHBondContact O-N 3.34Å; E434-L437 VanDerWaalsContact O-N 3.11Å; E435-L437 VanDerWaalsContact C-N 3.25Å; E435-L437 PolarHBondContact O-N 2.92Å; L437-F439 HydrophobicContact CB-CE2 4.11Å; L437-L455 HydrophobicContact CD1-CD2 3.99Å; L437-L455 HydrophobicContact CD2-CD2 4.05Å; L437-P469 HydrophobicContact CD1-CB 3.78Å; L437-P469 HydrophobicContact CD1-CG 4.11Å
438G89.2Confident79Confident11 Ų1175.5 Ų75.511%0.11337%0.371CS..EExtended strand (participates in β ladder)trans-96.4134.8172.600000112.8M411 W412 S413 S436M411-G438 PolarHBondContact O-N 3.04Å; W412-G438 WeakPolarHBondContact CA-O 3.19Å; S413-G438 PolarHBondContact N-O 3.18Å; S413-G438 PolarHBondContact OG-O 3.41Å; S436-G438 PolarHBondContact O-N 3.02Å
439F88.1Confident78.1Confident67 Ų6770.8 Ų70.829%0.29437%0.372SS..  trans-117.8124.1171.8-64.1-86.3000110.1L437 P441 P451 V452 L455L437-F439 HydrophobicContact CB-CE2 4.11Å; F439-P441 VanDerWaalsContact O-CD 3.31Å; F439-P441 WeakPolarHBondContact O-CD 3.36Å; F439-P451 HydrophobicContact CD1-CB 3.94Å; F439-P451 HydrophobicContact CE1-CB 3.94Å; F439-V452 HydrophobicContact CE2-CG2 4.05Å; F439-V452 HydrophobicContact CZ-CG2 3.81Å; F439-L455 HydrophobicContact CE1-CB 4.42Å; F439-L455 HydrophobicContact CE1-CD2 4.12Å; F439-L455 HydrophobicContact CZ-CD2 3.96Å
440D81.3Confident77.8Confident38 Ų3871.9 Ų71.920%0.20338%0.376CS..  trans-66.4118178179.6-6.9000109.5W412 E442 Q443 S444W412-D440 HydrophobicContact CZ3-CB 4.45Å; D440-E442 PolarHBondContact O-N 3.02Å; D440-E442 WeakPolarHBondContact OD1-CB 3.38Å; D440-E442 PolarHBondContact OD1-N 3.26Å; D440-Q443 HydrophobicContact CB-CB 4.13Å; D440-Q443 HydrophobicContact CB-CG 4.15Å; D440-Q443 PolarHBondContact O-N 2.79Å; D440-Q443 WeakPolarHBondContact OD2-CG 3.24Å; D440-Q443 PolarHBondContact OD2-NE2 3.02Å; D440-S444 PolarHBondContact O-N 3.24Å; D440-S444 VanDerWaalsContact O-N 3.09Å
441P71.3Confident77.4Confident94 Ų9474 Ų7461%0.6139%0.39SS*.THydrogen-bonded Turntrans-57.8-32.5179.4-22.633.3000112.8F439 S444F439-P441 VanDerWaalsContact O-CD 3.31Å; F439-P441 WeakPolarHBondContact O-CD 3.36Å; P441-S444 PolarHBondContact O-N 2.9Å; P441-S444 PolarHBondContact O-OG 2.82Å
442E68.4Low77.2Confident150 Ų15073.5 Ų73.570%0.70139%0.387SS*.THydrogen-bonded Turntrans-74.3-30.7-177.9-59.4-170.2172.500112D440D440-E442 PolarHBondContact O-N 3.02Å; D440-E442 WeakPolarHBondContact OD1-CB 3.38Å; D440-E442 PolarHBondContact OD1-N 3.26Å
443Q63.2Low77Confident91 Ų9178.6 Ų78.643%0.42541%0.414SS..THydrogen-bonded Turntrans-83.3-22.9176.7-66.8178.936.700112.9D440 I445 Y446D440-Q443 HydrophobicContact CB-CB 4.13Å; D440-Q443 HydrophobicContact CB-CG 4.15Å; D440-Q443 PolarHBondContact O-N 2.79Å; D440-Q443 WeakPolarHBondContact OD2-CG 3.24Å; D440-Q443 PolarHBondContact OD2-NE2 3.02Å; Q443-I445 PolarHBondContact O-N 2.91Å; Q443-I445 VanDerWaalsContact O-N 3.14Å; Q443-Y446 PolarHBondContact O-N 2.84Å; Q443-Y446 VanDerWaalsContact O-N 3.15Å
444S58.7Low77.1Confident67 Ų6784.4 Ų84.447%0.46944%0.436SS..G310 helixtrans-59.9-23.6179.276.30000113.6D440 P441 Y446D440-S444 PolarHBondContact O-N 3.24Å; D440-S444 VanDerWaalsContact O-N 3.09Å; P441-S444 PolarHBondContact O-N 2.9Å; P441-S444 PolarHBondContact O-OG 2.82Å; S444-Y446 PolarHBondContact O-N 3.23Å
445I57.1Low77.3Confident135 Ų13580.2 Ų80.269%0.69242%0.417SS*.G310 helixtrans-67.3-24.5-179.7-55.5171.1000112Q443Q443-I445 PolarHBondContact O-N 2.91Å; Q443-I445 VanDerWaalsContact O-N 3.14Å
446Y58.8Low77.6Confident200 Ų20077.4 Ų77.478%0.78440%0.404SS*.G310 helixtrans-100.8-8.3-174.6-60-81.2000114Q443 S444Q443-Y446 PolarHBondContact O-N 2.84Å; Q443-Y446 VanDerWaalsContact O-N 3.15Å; S444-Y446 PolarHBondContact O-N 3.23Å
447V61.1Low77.8Confident50 Ų5083.4 Ų83.430%0.30343%0.43SS..  trans-92.9110.5-179.4-176.20000109.3G449 Y454V447-G449 PolarHBondContact O-N 2.84Å; V447-Y454 HydrophobicContact CG1-CD1 4.41Å; V447-Y454 HydrophobicContact CG1-CG 4.16Å
448Q61.3Low77.9Confident206 Ų20683.8 Ų83.896%0.96343%0.431SS*.  trans-83.3102.8175.8-151.617320.600109.3
449G73.1Confident78.2Confident59 Ų5983.2 Ų83.261%0.60843%0.426SS*.SBendtrans124.4-166.8178.900000113.5V447 P451V447-G449 PolarHBondContact O-N 2.84Å; G449-P451 WeakPolarHBondContact O-CD 3.4Å
450D83.4Confident78.6Confident82 Ų8281 Ų8144%0.43942%0.418SS..  trans-71.5118177.2-178.1-16.9000110.4V452 L453 Y454D450-V452 PolarHBondContact O-N 3.19Å; D450-V452 WeakPolarHBondContact OD1-CB 3.28Å; D450-V452 PolarHBondContact OD1-N 2.92Å; D450-L453 HydrophobicContact CB-CB 4.08Å; D450-L453 HydrophobicContact CB-CD1 3.83Å; D450-L453 HydrophobicContact CB-CG 3.94Å; D450-L453 PolarHBondContact O-N 3.23Å; D450-Y454 PolarHBondContact O-N 3.43Å
451P84.4Confident79.4Confident52 Ų5284.8 Ų84.834%0.33844%0.435SS..Hα-helixtrans-63.2-29.2-177.826.6-34.8000113.1F439 G449 L455F439-P451 HydrophobicContact CD1-CB 3.94Å; F439-P451 HydrophobicContact CE1-CB 3.94Å; G449-P451 WeakPolarHBondContact O-CD 3.4Å; P451-L455 WeakPolarHBondContact O-CB 3.31Å; P451-L455 PolarHBondContact O-N 2.61Å
452V86.4Confident80.5Confident31 Ų3181.7 Ų81.719%0.18842%0.415CS..Hα-helixtrans-70.8-46.6178-178.60000110F439 D450 Y454 L455 M456F439-V452 HydrophobicContact CE2-CG2 4.05Å; F439-V452 HydrophobicContact CZ-CG2 3.81Å; D450-V452 PolarHBondContact O-N 3.19Å; D450-V452 WeakPolarHBondContact OD1-CB 3.28Å; D450-V452 PolarHBondContact OD1-N 2.92Å; V452-Y454 VanDerWaalsContact C-N 3.28Å; V452-Y454 PolarHBondContact O-N 2.79Å; V452-L455 WeakPolarHBondContact O-CB 3.35Å; V452-L455 PolarHBondContact O-N 2.81Å; V452-M456 HydrophobicContact CG1-CG 4.44Å; V452-M456 HydrophobicContact CG1-SD 4.09Å; V452-M456 VanDerWaalsContact O-CG 3.29Å; V452-M456 WeakPolarHBondContact O-CG 3.06Å; V452-M456 PolarHBondContact O-N 3.01Å
453L87.8Confident81.8Confident107 Ų10774.7 Ų74.756%0.5638%0.383SS*.Hα-helixtrans-61.6-38176-67.7178.3000111.9D450 M456 K457D450-L453 HydrophobicContact CB-CB 4.08Å; D450-L453 HydrophobicContact CB-CD1 3.83Å; D450-L453 HydrophobicContact CB-CG 3.94Å; D450-L453 PolarHBondContact O-N 3.23Å; L453-M456 HydrophobicContact CD2-SD 4.28Å; L453-K457 WeakPolarHBondContact O-CB 3.29Å; L453-K457 PolarHBondContact O-N 2.87Å
454Y89.7Confident83.3Confident122 Ų12273.7 Ų73.748%0.47840%0.397SS..Hα-helixtrans-62.8-46.9174.9179-99.5000111.7V447 D450 V452 K457 Q458V447-Y454 HydrophobicContact CG1-CD1 4.41Å; V447-Y454 HydrophobicContact CG1-CG 4.16Å; D450-Y454 PolarHBondContact O-N 3.43Å; V452-Y454 VanDerWaalsContact C-N 3.28Å; V452-Y454 PolarHBondContact O-N 2.79Å; Y454-K457 PolarHBondContact O-N 3.16Å; Y454-Q458 HydrophobicContact CD1-CG 4.23Å; Y454-Q458 HydrophobicContact CE1-CG 3.75Å; Y454-Q458 HydrophobicContact CE2-CG 4.13Å; Y454-Q458 WeakPolarHBondContact O-CG 3.36Å; Y454-Q458 PolarHBondContact O-N 3.1Å
455L91.9Very high85Confident3 Ų374.4 Ų74.42%0.01639%0.389CS..Hα-helixtrans-58-51175.617562.6000111.4L416 V417 L437 F439 P451 V452 K457 Q458 V459 W467L416-L455 HydrophobicContact CB-CD1 4.47Å; L416-L455 HydrophobicContact CD2-CD1 4.29Å; L416-L455 HydrophobicContact CD2-CD2 4.23Å; V417-L455 HydrophobicContact CG2-CD1 3.6Å; L437-L455 HydrophobicContact CD1-CD2 3.99Å; L437-L455 HydrophobicContact CD2-CD2 4.05Å; F439-L455 HydrophobicContact CE1-CB 4.42Å; F439-L455 HydrophobicContact CE1-CD2 4.12Å; F439-L455 HydrophobicContact CZ-CD2 3.96Å; P451-L455 WeakPolarHBondContact O-CB 3.31Å; P451-L455 PolarHBondContact O-N 2.61Å; V452-L455 WeakPolarHBondContact O-CB 3.35Å; V452-L455 PolarHBondContact O-N 2.81Å; L455-K457 VanDerWaalsContact C-N 3.27Å; L455-K457 PolarHBondContact O-N 3.22Å; L455-Q458 PolarHBondContact O-N 3.36Å; L455-Q458 VanDerWaalsContact O-N 3.12Å; L455-V459 HydrophobicContact CD1-CG2 3.77Å; L455-V459 HydrophobicContact CG-CG2 4.35Å; L455-V459 WeakPolarHBondContact O-CG2 3.49Å; L455-V459 PolarHBondContact O-N 3.43Å; L455-W467 HydrophobicContact CG-CZ3 4.38Å
456M93.3Very high86.7Confident38 Ų3875.6 Ų75.619%0.18740%0.397CS..Hα-helixtrans-54.6-44.9178.5-71.2171.465.600111.5V452 L453 S460 W467 Q468V452-M456 HydrophobicContact CG1-CG 4.44Å; V452-M456 HydrophobicContact CG1-SD 4.09Å; V452-M456 VanDerWaalsContact O-CG 3.29Å; V452-M456 WeakPolarHBondContact O-CG 3.06Å; V452-M456 PolarHBondContact O-N 3.01Å; L453-M456 HydrophobicContact CD2-SD 4.28Å; M456-S460 WeakPolarHBondContact O-CB 3.41Å; M456-S460 PolarHBondContact O-N 3.18Å; M456-S460 PolarHBondContact O-OG 3.11Å; M456-W467 HydrophobicContact CG-CE3 4.46Å; M456-W467 HydrophobicContact CG-CZ3 4.28Å; M456-Q468 HydrophobicContact CE-CB 3.66Å
457K93.3Very high88.4Confident126 Ų12666.9 Ų66.955%0.54836%0.363SS..Hα-helixtrans-63.2-47.1177.3-175.5178.1179.6-179.70112L453 Y454 L455 Q461L453-K457 WeakPolarHBondContact O-CB 3.29Å; L453-K457 PolarHBondContact O-N 2.87Å; Y454-K457 PolarHBondContact O-N 3.16Å; L455-K457 VanDerWaalsContact C-N 3.27Å; L455-K457 PolarHBondContact O-N 3.22Å; K457-Q461 VanDerWaalsContact O-CB 3.31Å; K457-Q461 WeakPolarHBondContact O-CB 3.5Å; K457-Q461 WeakPolarHBondContact O-CG 3.3Å; K457-Q461 PolarHBondContact O-N 3.43Å
458Q94.4Very high89.9Confident30 Ų3070.7 Ų70.714%0.1438%0.377CS..Hα-helixtrans-63.4-44.4-179.6-73.5-60.9-5600112.2V417 Y454 L455 S462V417-Q458 HydrophobicContact CG1-CB 4.32Å; V417-Q458 HydrophobicContact CG2-CB 3.87Å; Y454-Q458 HydrophobicContact CD1-CG 4.23Å; Y454-Q458 HydrophobicContact CE1-CG 3.75Å; Y454-Q458 HydrophobicContact CE2-CG 4.13Å; Y454-Q458 WeakPolarHBondContact O-CG 3.36Å; Y454-Q458 PolarHBondContact O-N 3.1Å; L455-Q458 PolarHBondContact O-N 3.36Å; L455-Q458 VanDerWaalsContact O-N 3.12Å; Q458-S462 WeakPolarHBondContact O-CB 3.31Å; Q458-S462 PolarHBondContact O-N 2.93Å; Q458-S462 VanDerWaalsContact O-N 3.08Å; Q458-S462 PolarHBondContact O-OG 2.69Å
459V96Very high91.1Very high0 Ų060.9 Ų60.90%033%0.332CS..Hα-helixtrans-67.9-46.6179175.60000110.4L416 V417 L430 L455 Q461 S462 L463 W467L416-V459 HydrophobicContact CD2-CG2 4.43Å; L416-V459 HydrophobicContact CG-CG2 4.15Å; V417-V459 HydrophobicContact CG2-CG2 4.19Å; L430-V459 HydrophobicContact CD2-CG1 3.98Å; L455-V459 HydrophobicContact CD1-CG2 3.77Å; L455-V459 HydrophobicContact CG-CG2 4.35Å; L455-V459 WeakPolarHBondContact O-CG2 3.49Å; L455-V459 PolarHBondContact O-N 3.43Å; V459-Q461 VanDerWaalsContact C-N 3.34Å; V459-Q461 PolarHBondContact O-N 2.63Å; V459-S462 PolarHBondContact O-N 3.39Å; V459-S462 VanDerWaalsContact O-N 3.11Å; V459-L463 HydrophobicContact CG1-CD1 3.73Å; V459-L463 HydrophobicContact CG1-CG 4.19Å; V459-L463 WeakPolarHBondContact O-CG 3.13Å; V459-L463 PolarHBondContact O-N 3.27Å; V459-W467 HydrophobicContact CB-CD2 4.09Å; V459-W467 HydrophobicContact CB-CE3 3.68Å; V459-W467 HydrophobicContact CB-CZ3 4.22Å; V459-W467 HydrophobicContact CG1-CB 4.01Å; V459-W467 HydrophobicContact CG1-CD2 3.43Å; V459-W467 VanDerWaalsContact CG1-CD2 3.43Å; V459-W467 HydrophobicContact CG1-CE3 3.58Å; V459-W467 HydrophobicContact CG1-CG 3.61Å; V459-W467 HydrophobicContact CG1-CZ3 4.31Å; V459-W467 HydrophobicContact CG2-CE3 4.24Å; V459-W467 HydrophobicContact CG2-CZ3 4.28Å
460S96.4Very high91.6Very high19 Ų1959.4 Ų59.413%0.13331%0.312CS..Hα-helixtrans-59.1-44.5178.5-59.80000112.2M456 S462 L463 G464 R465 W467M456-S460 WeakPolarHBondContact O-CB 3.41Å; M456-S460 PolarHBondContact O-N 3.18Å; M456-S460 PolarHBondContact O-OG 3.11Å; S460-S462 VanDerWaalsContact C-N 3.32Å; S460-S462 PolarHBondContact O-N 3.18Å; S460-L463 PolarHBondContact O-N 3.43Å; S460-G464 PolarHBondContact O-N 3.11Å; S460-R465 CarbonylContact C-O 3.45Å; S460-R465 WeakPolarHBondContact CA-O 3.44Å; S460-R465 VanDerWaalsContact CB-O 3.31Å; S460-R465 WeakPolarHBondContact CB-O 3.48Å; S460-R465 PolarHBondContact O-N 2.91Å; S460-W467 PolarHBondContact OG-N 2.99Å; S460-W467 PolarHBondContact OG-O 2.78Å
461Q96.4Very high90.8Very high119 Ų11960.4 Ų60.456%0.55632%0.315SS*.Hα-helixtrans-61.2-41.1175.8-76177.3-8.700112.1K457 V459K457-Q461 VanDerWaalsContact O-CB 3.31Å; K457-Q461 WeakPolarHBondContact O-CB 3.5Å; K457-Q461 WeakPolarHBondContact O-CG 3.3Å; K457-Q461 PolarHBondContact O-N 3.43Å; V459-Q461 VanDerWaalsContact C-N 3.34Å; V459-Q461 PolarHBondContact O-N 2.63Å
462S96Very high89.5Confident28 Ų2862.4 Ų62.420%0.19632%0.323CS..Hα-helixtrans-70-38.8-179.4-56.80000111.8S420 R421 G424 Q458 V459 S460S420-S462 VanDerWaalsContact OG-CB 3.29Å; S420-S462 WeakPolarHBondContact OG-CB 3.06Å; R421-S462 VanDerWaalsContact CG-OG 3.26Å; R421-S462 WeakPolarHBondContact CG-OG 3.49Å; G424-S462 WeakPolarHBondContact CA-O 3.29Å; Q458-S462 WeakPolarHBondContact O-CB 3.31Å; Q458-S462 PolarHBondContact O-N 2.93Å; Q458-S462 VanDerWaalsContact O-N 3.08Å; Q458-S462 PolarHBondContact O-OG 2.69Å; V459-S462 PolarHBondContact O-N 3.39Å; V459-S462 VanDerWaalsContact O-N 3.11Å; S460-S462 VanDerWaalsContact C-N 3.32Å; S460-S462 PolarHBondContact O-N 3.18Å
463L95.6Very high87.7Confident3 Ų363.5 Ų63.52%0.01633%0.332CS..Hα-helixtrans-78.4-22.5178.4-64.5178.3000113.7G424 S425 L427 L430 V459 S460 R465 W467G424-L463 VanDerWaalsContact O-CD2 3.28Å; G424-L463 WeakPolarHBondContact O-CD2 3.31Å; S425-L463 WeakPolarHBondContact CA-O 3.23Å; L427-L463 HydrophobicContact CB-CD2 4.26Å; L427-L463 HydrophobicContact CD2-CD2 4.35Å; L430-L463 HydrophobicContact CB-CD1 4.37Å; L430-L463 HydrophobicContact CD2-CD1 4.08Å; V459-L463 HydrophobicContact CG1-CD1 3.73Å; V459-L463 HydrophobicContact CG1-CG 4.19Å; V459-L463 WeakPolarHBondContact O-CG 3.13Å; V459-L463 PolarHBondContact O-N 3.27Å; S460-L463 PolarHBondContact O-N 3.43Å; L463-R465 VanDerWaalsContact C-N 3.32Å; L463-R465 HydrophobicContact CB-CG 4.15Å; L463-W467 HydrophobicContact CD1-CB 4.02Å; L463-W467 HydrophobicContact CD1-CG 4.05Å
464G94.3Very high85.5Confident70 Ų7062.3 Ų62.372%0.72233%0.329SS*.THydrogen-bonded Turntrans74.520.5-174.800000114S460S460-G464 PolarHBondContact O-N 3.11Å
465R94.6Very high83Confident83 Ų8359.3 Ų59.331%0.31333%0.33SS..SBendtrans-150.1159.6175.164.6176.5-177.3-89.3-7.8109.5L427 R428 S460 L463 W467L427-R465 PolarHBondContact O-NH1 3.4Å; L427-R465 PolarHBondContact O-NH2 3.23Å; R428-R465 PolarHBondContact O-NH2 3.3Å; S460-R465 CarbonylContact C-O 3.45Å; S460-R465 WeakPolarHBondContact CA-O 3.44Å; S460-R465 VanDerWaalsContact CB-O 3.31Å; S460-R465 WeakPolarHBondContact CB-O 3.48Å; S460-R465 PolarHBondContact O-N 2.91Å; L463-R465 VanDerWaalsContact C-N 3.32Å; L463-R465 HydrophobicContact CB-CG 4.15Å; R465-W467 PolarHBondContact O-N 2.8Å
466D93.1Very high80.7Confident159 Ų15959.4 Ų59.485%0.8533%0.33SS*.  trans-62.7131.3175.1-63.1-29.1000110.2
467W94.4Very high78.4Confident17 Ų1758.2 Ų58.26%0.06432%0.324CS..  trans-132.5138.1177.5179.687.1000109.7L416 L430 V432 L455 M456 V459 S460 L463 R465 P469L416-W467 HydrophobicContact CD2-CH2 3.5Å; L416-W467 VanDerWaalsContact CD2-CH2 3.5Å; L416-W467 HydrophobicContact CD2-CZ2 3.85Å; L416-W467 HydrophobicContact CD2-CZ3 4.27Å; L430-W467 PolarHBondContact O-NE1 2.94Å; V432-W467 HydrophobicContact CB-CZ2 4.43Å; L455-W467 HydrophobicContact CG-CZ3 4.38Å; M456-W467 HydrophobicContact CG-CE3 4.46Å; M456-W467 HydrophobicContact CG-CZ3 4.28Å; V459-W467 HydrophobicContact CB-CD2 4.09Å; V459-W467 HydrophobicContact CB-CE3 3.68Å; V459-W467 HydrophobicContact CB-CZ3 4.22Å; V459-W467 HydrophobicContact CG1-CB 4.01Å; V459-W467 HydrophobicContact CG1-CD2 3.43Å; V459-W467 VanDerWaalsContact CG1-CD2 3.43Å; V459-W467 HydrophobicContact CG1-CE3 3.58Å; V459-W467 HydrophobicContact CG1-CG 3.61Å; V459-W467 HydrophobicContact CG1-CZ3 4.31Å; V459-W467 HydrophobicContact CG2-CE3 4.24Å; V459-W467 HydrophobicContact CG2-CZ3 4.28Å; S460-W467 PolarHBondContact OG-N 2.99Å; S460-W467 PolarHBondContact OG-O 2.78Å; L463-W467 HydrophobicContact CD1-CB 4.02Å; L463-W467 HydrophobicContact CD1-CG 4.05Å; R465-W467 PolarHBondContact O-N 2.8Å; W467-P469 HydrophobicContact CH2-CB 4.25Å
468Q91.1Very high75.5Confident131 Ų13153.9 Ų53.961%0.61231%0.31SS*.  trans-140.514917563.9-173.3400109M456M456-Q468 HydrophobicContact CE-CB 3.66Å
469P88.3Confident72.8Confident0 Ų055.4 Ų55.40%032%0.317CS..  trans-60151.8168.426.6-32.2000109.9E434 L437 W467 M471E434-P469 HydrophobicContact CB-CB 4.3Å; L437-P469 HydrophobicContact CD1-CB 3.78Å; L437-P469 HydrophobicContact CD1-CG 4.11Å; W467-P469 HydrophobicContact CH2-CB 4.25Å; P469-M471 HydrophobicContact CG-CE 3.98Å; P469-M471 PolarHBondContact O-N 3.3Å
470C83.2Confident70Confident28 Ų2856.8 Ų56.819%0.18933%0.326CS..BIsolated β-bridgetrans-78.9115.9176.7-163.70000109.3T431 V432 E434 D472 V476T431-C470 HydrophobicContact CG2-CB 4.24Å; V432-C470 PolarHBondContact O-N 2.82Å; E434-C470 PolarHBondContact N-O 2.7Å; C470-D472 PolarHBondContact SG-O 2.62Å; C470-V476 HydrophobicContact CB-CG2 3.13Å; C470-V476 WeakPolarHBondContact SG-CG2 3.47Å
471M65.3Low67.3Low102 Ų10256 Ų5650%0.50232%0.321SS..SBendtrans-78-30.4-174.4-61.4-62.9178.600112.8P469P469-M471 HydrophobicContact CG-CE 3.98Å; P469-M471 PolarHBondContact O-N 3.3Å
472D57Low64.6Low95 Ų9554.4 Ų54.451%0.50831%0.313SS..  trans-95.5112.9173-82.7-31.6000107.3C470 T474 A475 V476C470-D472 PolarHBondContact SG-O 2.62Å; D472-T474 WeakPolarHBondContact CB-OG1 3.38Å; D472-T474 PolarHBondContact O-N 3.32Å; D472-A475 HydrophobicContact CB-CB 3.4Å; D472-A475 WeakPolarHBondContact O-CA 3.15Å; D472-A475 PolarHBondContact O-N 2.84Å; D472-V476 PolarHBondContact O-N 3.31Å; D472-V476 VanDerWaalsContact O-N 3.09Å
473S48.6Very low62.1Low53 Ų5354.1 Ų54.137%0.37131%0.309SS..Hα-helixtrans-54.3-32158.954.70000109A475 L477S473-A475 VanDerWaalsContact C-N 3.27Å; S473-A475 PolarHBondContact O-N 3.48Å; S473-L477 CarbonylContact O-C 3.4Å; S473-L477 VanDerWaalsContact O-CA 3.24Å; S473-L477 WeakPolarHBondContact O-CA 3.4Å; S473-L477 WeakPolarHBondContact O-CB 3.23Å; S473-L477 PolarHBondContact O-N 3.03Å
474T41.9Very low59.8Low83 Ų8354.6 Ų54.651%0.50931%0.311SS..Hα-helixtrans-75.410.2167.959.50000115.6D472 L477 S478D472-T474 WeakPolarHBondContact CB-OG1 3.38Å; D472-T474 PolarHBondContact O-N 3.32Å; T474-L477 WeakPolarHBondContact CA-O 3.24Å; T474-S478 VanDerWaalsContact C-CA 3.45Å; T474-S478 WeakPolarHBondContact O-CA 3.39Å; T474-S478 WeakPolarHBondContact O-CB 3.33Å; T474-S478 PolarHBondContact O-N 3.43Å
475A38.8Very low57.7Low59 Ų5951.8 Ų51.849%0.48828%0.279SS..Hα-helixtrans-123.2-19.7169.100000111.9D472 S473D472-A475 HydrophobicContact CB-CB 3.4Å; D472-A475 WeakPolarHBondContact O-CA 3.15Å; D472-A475 PolarHBondContact O-N 2.84Å; S473-A475 VanDerWaalsContact C-N 3.27Å; S473-A475 PolarHBondContact O-N 3.48Å
476V42.8Very low56Low4 Ų455.1 Ų55.12%0.02429%0.291CS..Hα-helixtrans-75.6-39.4157-169.30000110.2V405 H407 T431 C470 D472 H483V405-V476 HydrophobicContact CG1-CG1 4.2Å; H407-V476 HydrophobicContact CB-CG1 4.06Å; T431-V476 HydrophobicContact CG2-CG1 4.12Å; T431-V476 HydrophobicContact CG2-CG2 3.96Å; C470-V476 HydrophobicContact CB-CG2 3.13Å; C470-V476 WeakPolarHBondContact SG-CG2 3.47Å; D472-V476 PolarHBondContact O-N 3.31Å; D472-V476 VanDerWaalsContact O-N 3.09Å; V476-H483 PolarHBondContact O-CD2 3.39Å
477L44.7Very low54.4Low13 Ų1349.2 Ų49.27%0.06826%0.26CS..SBendtrans-127.959.2179.3-54.3174.4000109.7L373 H407 S473 T474 E479 P480L373-L477 HydrophobicContact CD1-CD2 3.98Å; H407-L477 VanDerWaalsContact CD2-CD1 3.45Å; H407-L477 WeakPolarHBondContact CD2-CD1 3.33Å; H407-L477 WeakPolarHBondContact NE2-CD1 3.43Å; S473-L477 CarbonylContact O-C 3.4Å; S473-L477 VanDerWaalsContact O-CA 3.24Å; S473-L477 WeakPolarHBondContact O-CA 3.4Å; S473-L477 WeakPolarHBondContact O-CB 3.23Å; S473-L477 PolarHBondContact O-N 3.03Å; T474-L477 WeakPolarHBondContact CA-O 3.24Å; L477-E479 VanDerWaalsContact C-N 3.26Å; L477-E479 CarbonylContact O-C 3.58Å; L477-E479 WeakPolarHBondContact O-CA 3.37Å; L477-E479 PolarHBondContact O-N 2.68Å; L477-P480 HydrophobicContact CB-CG 4.49Å
478S31.7Very low52.8Low36 Ų3648.5 Ų48.525%0.25226%0.257SS..SBendtrans-61.488.317461.40000111.1T474 Q482T474-S478 VanDerWaalsContact C-CA 3.45Å; T474-S478 WeakPolarHBondContact O-CA 3.39Å; T474-S478 WeakPolarHBondContact O-CB 3.33Å; T474-S478 PolarHBondContact O-N 3.43Å; S478-Q482 WeakPolarHBondContact O-CB 3.35Å
479E38.9Very low51.3Low62 Ų6243 Ų4329%0.2923%0.233SC..Hα-helixtrans49.6121.7-150.1-60.2175.6155.200110F156 L477 T481 Q482F156-E479 HydrophobicContact CE2-CB 4.49Å; L477-E479 VanDerWaalsContact C-N 3.26Å; L477-E479 CarbonylContact O-C 3.58Å; L477-E479 WeakPolarHBondContact O-CA 3.37Å; L477-E479 PolarHBondContact O-N 2.68Å; E479-T481 WeakPolarHBondContact CB-OG1 3.36Å; E479-T481 CarbonylContact O-C 3.6Å; E479-T481 PolarHBondContact O-N 3.04Å; E479-Q482 HydrophobicContact CB-CG 4.12Å; E479-Q482 PolarHBondContact O-N 3.46Å; E479-Q482 WeakPolarHBondContact OE2-CG 3.3Å; E479-Q482 PolarHBondContact OE2-NE2 3.36Å
480P36.9Very low50.1Low28 Ų2844.1 Ų44.118%0.18224%0.242CC..Hα-helixtrans-43.7-31.6176.3-30.434.6000113.1W347 L477 F484W347-P480 HydrophobicContact CZ2-CB 4.49Å; L477-P480 HydrophobicContact CB-CG 4.49Å; P480-F484 WeakPolarHBondContact O-CB 3.46Å; P480-F484 PolarHBondContact O-N 3.13Å
481T39.8Very low49Very low4 Ų443 Ų433%0.02523%0.234CC..Hα-helixtrans-73-31.6171.246.80000119.1T155 F156 E479 H485T155-T481 WeakPolarHBondContact OG1-CG2 3.49Å; F156-T481 HydrophobicContact CB-CG2 4.15Å; F156-T481 VanDerWaalsContact CD2-CB 3.44Å; F156-T481 HydrophobicContact CD2-CG2 3.01Å; F156-T481 WeakPolarHBondContact CD2-OG1 3.49Å; F156-T481 HydrophobicContact CE2-CG2 3.38Å; F156-T481 WeakPolarHBondContact CE2-OG1 3.19Å; F156-T481 HydrophobicContact CG-CG2 3.86Å; E479-T481 WeakPolarHBondContact CB-OG1 3.36Å; E479-T481 CarbonylContact O-C 3.6Å; E479-T481 PolarHBondContact O-N 3.04Å; T481-H485 VanDerWaalsContact O-CA 3.32Å; T481-H485 WeakPolarHBondContact O-CA 3.39Å; T481-H485 WeakPolarHBondContact O-CB 3.2Å; T481-H485 PolarHBondContact O-N 3.27Å
482Q38.9Very low48.7Very low85 Ų8538.2 Ų38.240%0.39721%0.21SC..Hα-helixtrans-80.5-34.2-177.1-55.9174.96.100111.8S478 E479 R486S478-Q482 WeakPolarHBondContact O-CB 3.35Å; E479-Q482 HydrophobicContact CB-CG 4.12Å; E479-Q482 PolarHBondContact O-N 3.46Å; E479-Q482 WeakPolarHBondContact OE2-CG 3.3Å; E479-Q482 PolarHBondContact OE2-NE2 3.36Å; Q482-R486 WeakPolarHBondContact O-CB 3.38Å; Q482-R486 PolarHBondContact O-N 2.71Å
483H43.8Very low48.7Very low22 Ų2234.7 Ų34.710%0.10220%0.195CC..Hα-helixtrans-69.1-46.3170.1-175.424.6000110.3V476 H485 R486 D487V476-H483 PolarHBondContact O-CD2 3.39Å; H483-H485 PolarHBondContact O-N 3.41Å; H483-R486 PolarHBondContact CE1-NH2 3.05Å; H483-R486 PolarHBondContact ND1-NH2 3.39Å; H483-R486 PolarHBondContact O-N 2.98Å; H483-D487 IonicContact CE1-OD1 3.32Å; H483-D487 PolarHBondContact CE1-OD1 3.39Å; H483-D487 IonicContact CE1-OD2 3.85Å; H483-D487 PolarHBondContact CE1-OD2 3.18Å; H483-D487 VanDerWaalsContact ND1-CG 3.32Å; H483-D487 IonicContact ND1-OD1 2.68Å; H483-D487 PolarHBondContact ND1-OD1 3.37Å; H483-D487 IonicContact ND1-OD2 3.59Å; H483-D487 PolarHBondContact ND1-OD2 3.26Å; H483-D487 IonicContact NE2-OD2 2.78Å; H483-D487 WeakPolarHBondContact O-CB 3.21Å; H483-D487 VanDerWaalsContact O-CG 3.31Å; H483-D487 PolarHBondContact O-N 3.34Å
484F48.7Very low48.7Very low12 Ų1233 Ų335%0.05319%0.186CC..Hα-helixtrans-56.7-48.5172.2175.9-94.1000111.2T155 F203 M320 L322 P480 D487 L488T155-F484 HydrophobicContact CG2-CD1 4.24Å; T155-F484 HydrophobicContact CG2-CE1 3.76Å; F203-F484 HydrophobicContact CZ-CE1 4.31Å; F203-F484 HydrophobicContact CZ-CZ 4.35Å; M320-F484 HydrophobicContact CE-CD2 3.97Å; M320-F484 HydrophobicContact CE-CE2 3.82Å; M320-F484 HydrophobicContact CG-CE2 4.05Å; M320-F484 HydrophobicContact SD-CD2 3.95Å; M320-F484 HydrophobicContact SD-CE2 3.18Å; M320-F484 WeakPolarHBondContact SD-CE2 3.29Å; M320-F484 HydrophobicContact SD-CZ 3.74Å; L322-F484 HydrophobicContact CD1-CE2 3.78Å; L322-F484 HydrophobicContact CD1-CZ 3.76Å; L322-F484 HydrophobicContact CD2-CD2 4.27Å; L322-F484 HydrophobicContact CD2-CE2 3.68Å; L322-F484 HydrophobicContact CG-CE2 4.2Å; P480-F484 WeakPolarHBondContact O-CB 3.46Å; P480-F484 PolarHBondContact O-N 3.13Å; F484-D487 CarbonylContact O-C 3.58Å; F484-D487 PolarHBondContact O-N 3.13Å; F484-L488 HydrophobicContact CE1-CB 4.39Å; F484-L488 HydrophobicContact CE1-CD1 4.31Å; F484-L488 HydrophobicContact CE1-CD2 4.06Å; F484-L488 HydrophobicContact CE1-CG 4.47Å; F484-L488 HydrophobicContact CZ-CD1 4.06Å; F484-L488 WeakPolarHBondContact O-CA 3.45Å; F484-L488 WeakPolarHBondContact O-CB 3.18Å; F484-L488 PolarHBondContact O-N 3.06Å
485H50Low48.9Very low11 Ų1135.2 Ų35.25%0.05120%0.199CC..Hα-helixtrans-66.3-39.3180177.9-91000111.9E89 Y152 G153 T481 H483 C489E89-H485 IonicContact OE1-CE1 3.16Å; E89-H485 PolarHBondContact OE1-CE1 3.42Å; E89-H485 IonicContact OE1-ND1 3.98Å; Y152-H485 WeakPolarHBondContact CB-NE2 3.47Å; G153-H485 PolarHBondContact O-CD2 3.42Å; G153-H485 VanDerWaalsContact O-CD2 3.32Å; T481-H485 VanDerWaalsContact O-CA 3.32Å; T481-H485 WeakPolarHBondContact O-CA 3.39Å; T481-H485 WeakPolarHBondContact O-CB 3.2Å; T481-H485 PolarHBondContact O-N 3.27Å; H483-H485 PolarHBondContact O-N 3.41Å; H485-C489 PolarHBondContact CE1-SG 3.13Å; H485-C489 WeakPolarHBondContact O-CA 3.08Å; H485-C489 WeakPolarHBondContact O-CB 3.33Å; H485-C489 PolarHBondContact O-N 3.11Å; H485-C489 PolarHBondContact O-SG 2.89Å
486R58.1Low49.4Very low154 Ų15434.1 Ų34.158%0.58118%0.184SC*.Hα-helixtrans-67.5-42.8174.3-174.5-173.968.5-156.6-3.1111.1Q482 H483 L488 C489 A490Q482-R486 WeakPolarHBondContact O-CB 3.38Å; Q482-R486 PolarHBondContact O-N 2.71Å; H483-R486 PolarHBondContact CE1-NH2 3.05Å; H483-R486 PolarHBondContact ND1-NH2 3.39Å; H483-R486 PolarHBondContact O-N 2.98Å; R486-L488 VanDerWaalsContact C-N 3.34Å; R486-C489 PolarHBondContact O-N 3.41Å; R486-A490 VanDerWaalsContact O-CB 3.3Å; R486-A490 WeakPolarHBondContact O-CB 3.36Å; R486-A490 PolarHBondContact O-N 2.83Å
487D58.8Low49.7Very low35 Ų3535.6 Ų35.619%0.18719%0.193CC..Hα-helixtrans-72.7-32.1179.8-77.824.5000111.3H483 F484 A490 F491H483-D487 IonicContact CE1-OD1 3.32Å; H483-D487 PolarHBondContact CE1-OD1 3.39Å; H483-D487 IonicContact CE1-OD2 3.85Å; H483-D487 PolarHBondContact CE1-OD2 3.18Å; H483-D487 VanDerWaalsContact ND1-CG 3.32Å; H483-D487 IonicContact ND1-OD1 2.68Å; H483-D487 PolarHBondContact ND1-OD1 3.37Å; H483-D487 IonicContact ND1-OD2 3.59Å; H483-D487 PolarHBondContact ND1-OD2 3.26Å; H483-D487 IonicContact NE2-OD2 2.78Å; H483-D487 WeakPolarHBondContact O-CB 3.21Å; H483-D487 VanDerWaalsContact O-CG 3.31Å; H483-D487 PolarHBondContact O-N 3.34Å; F484-D487 CarbonylContact O-C 3.58Å; F484-D487 PolarHBondContact O-N 3.13Å; D487-A490 CarbonylContact O-C 3.59Å; D487-A490 PolarHBondContact O-N 3.43Å; D487-F491 WeakPolarHBondContact O-CA 3.31Å; D487-F491 WeakPolarHBondContact O-CB 3.47Å; D487-F491 PolarHBondContact O-N 3.06Å
488L60.8Low50Low1 Ų136.9 Ų36.91%0.00520%0.2CC..Hα-helixtrans-71.9-42.6172-179.387.3000110.6F203 L230 M320 F484 R486 A490 F491 S492F203-L488 HydrophobicContact CD2-CD2 3.26Å; F203-L488 HydrophobicContact CD2-CG 4.44Å; F203-L488 HydrophobicContact CE2-CD1 3.65Å; F203-L488 HydrophobicContact CE2-CD2 3.03Å; F203-L488 HydrophobicContact CE2-CG 3.84Å; F203-L488 HydrophobicContact CG-CD2 4.39Å; F203-L488 HydrophobicContact CZ-CD1 4.11Å; F203-L488 HydrophobicContact CZ-CD2 3.96Å; L230-L488 HydrophobicContact CD1-CD1 3.9Å; M320-L488 HydrophobicContact SD-CD1 3.88Å; F484-L488 HydrophobicContact CE1-CB 4.39Å; F484-L488 HydrophobicContact CE1-CD1 4.31Å; F484-L488 HydrophobicContact CE1-CD2 4.06Å; F484-L488 HydrophobicContact CE1-CG 4.47Å; F484-L488 HydrophobicContact CZ-CD1 4.06Å; F484-L488 WeakPolarHBondContact O-CA 3.45Å; F484-L488 WeakPolarHBondContact O-CB 3.18Å; F484-L488 PolarHBondContact O-N 3.06Å; R486-L488 VanDerWaalsContact C-N 3.34Å; L488-A490 VanDerWaalsContact C-N 3.28Å; L488-A490 PolarHBondContact O-N 2.94Å; L488-F491 HydrophobicContact CD1-CD1 4.26Å; L488-F491 CarbonylContact O-C 3.22Å; L488-F491 WeakPolarHBondContact O-CB 3.41Å; L488-F491 PolarHBondContact O-N 3.38Å; L488-S492 VanDerWaalsContact O-CB 3.26Å; L488-S492 WeakPolarHBondContact O-CB 3.46Å; L488-S492 PolarHBondContact O-N 2.85Å
489C61.2Low51.1Low16 Ų1636.9 Ų36.911%0.10820%0.197CC..Hα-helixtrans-61.4-39170.1-78.40000110.2Y152 H485 R486 A493Y152-C489 HydrophobicContact CD1-CB 4.44Å; Y152-C489 WeakPolarHBondContact CD1-SG 3.47Å; Y152-C489 HydrophobicContact CE1-CB 4.33Å; H485-C489 PolarHBondContact CE1-SG 3.13Å; H485-C489 WeakPolarHBondContact O-CA 3.08Å; H485-C489 WeakPolarHBondContact O-CB 3.33Å; H485-C489 PolarHBondContact O-N 3.11Å; H485-C489 PolarHBondContact O-SG 2.89Å; R486-C489 PolarHBondContact O-N 3.41Å; C489-A493 WeakPolarHBondContact O-CA 3.39Å; C489-A493 WeakPolarHBondContact O-CB 3.34Å; C489-A493 PolarHBondContact O-N 3.03Å
490A62.1Low51.8Low24 Ų2435.4 Ų35.420%0.19819%0.191CC..Hα-helixtrans-69.8-39.3173.600000111.5R486 D487 L488 A493 G494 V495R486-A490 VanDerWaalsContact O-CB 3.3Å; R486-A490 WeakPolarHBondContact O-CB 3.36Å; R486-A490 PolarHBondContact O-N 2.83Å; D487-A490 CarbonylContact O-C 3.59Å; D487-A490 PolarHBondContact O-N 3.43Å; L488-A490 VanDerWaalsContact C-N 3.28Å; L488-A490 PolarHBondContact O-N 2.94Å; A490-A493 CarbonylContact O-C 3.44Å; A490-A493 PolarHBondContact O-N 3.38Å; A490-G494 CarbonylContact O-C 3.57Å; A490-G494 WeakPolarHBondContact O-CA 3.41Å; A490-G494 PolarHBondContact O-N 3.02Å; A490-V495 PolarHBondContact O-N 2.63Å
491F61Low52.8Low5 Ų535.9 Ų35.92%0.02219%0.192CC..Hα-helixtrans-65.8-39.9177.9173-97.1000112.4L230 S283 L284 Y318 M320 D487 L488L230-F491 HydrophobicContact CD1-CD1 4.21Å; L230-F491 HydrophobicContact CD1-CE1 4.05Å; S283-F491 VanDerWaalsContact C-CZ 3.44Å; S283-F491 VanDerWaalsContact CB-CZ 3.41Å; S283-F491 PolarHBondContact OG-O 3.11Å; L284-F491 VanDerWaalsContact N-CZ 3.32Å; Y318-F491 VanDerWaalsContact CB-CE2 3.46Å; Y318-F491 HydrophobicContact CD2-CD2 4.21Å; Y318-F491 HydrophobicContact CG-CD2 4.45Å; M320-F491 HydrophobicContact CB-CE2 4.3Å; M320-F491 HydrophobicContact CB-CZ 4.27Å; D487-F491 WeakPolarHBondContact O-CA 3.31Å; D487-F491 WeakPolarHBondContact O-CB 3.47Å; D487-F491 PolarHBondContact O-N 3.06Å; L488-F491 HydrophobicContact CD1-CD1 4.26Å; L488-F491 CarbonylContact O-C 3.22Å; L488-F491 WeakPolarHBondContact O-CB 3.41Å; L488-F491 PolarHBondContact O-N 3.38Å
492S57.8Low53.8Low0 Ų038.1 Ų38.10%020%0.204CC..Hα-helixtrans-71.3-51.4168.8141.90000110.1Y152 W198 S200 H226 S228 L488 G494Y152-S492 VanDerWaalsContact CE1-OG 3.27Å; Y152-S492 WeakPolarHBondContact CE1-OG 3.27Å; Y152-S492 PolarHBondContact OH-OG 2.82Å; W198-S492 WeakPolarHBondContact CZ2-O 3.46Å; S200-S492 WeakPolarHBondContact CB-OG 3.21Å; S200-S492 PolarHBondContact OG-OG 3.41Å; H226-S492 PolarHBondContact CE1-O 2.86Å; H226-S492 PolarHBondContact NE2-O 2.79Å; S228-S492 WeakPolarHBondContact OG-CB 3.49Å; L488-S492 VanDerWaalsContact O-CB 3.26Å; L488-S492 WeakPolarHBondContact O-CB 3.46Å; L488-S492 PolarHBondContact O-N 2.85Å; S492-G494 PolarHBondContact O-N 3.2Å
493A58.3Low54.9Low22 Ų2234.5 Ų34.518%0.18219%0.189CC..Hα-helixtrans-63.8-11-179.900000113.3W198 C489 A490 V495W198-A493 VanDerWaalsContact CH2-C 3.5Å; W198-A493 WeakPolarHBondContact CH2-O 3.34Å; W198-A493 VanDerWaalsContact CZ2-CA 3.45Å; W198-A493 HydrophobicContact CZ2-CB 4.49Å; W198-A493 WeakPolarHBondContact CZ2-O 3.4Å; C489-A493 WeakPolarHBondContact O-CA 3.39Å; C489-A493 WeakPolarHBondContact O-CB 3.34Å; C489-A493 PolarHBondContact O-N 3.03Å; A490-A493 CarbonylContact O-C 3.44Å; A490-A493 PolarHBondContact O-N 3.38Å; A493-V495 VanDerWaalsContact C-N 3.3Å; A493-V495 HydrophobicContact CB-CG2 3.95Å; A493-V495 PolarHBondContact O-N 3.3Å
494G48.3Very low55.8Low17 Ų1735.6 Ų35.618%0.17520%0.196CC..THydrogen-bonded Turntrans62.336.1-17600000113.5R281 A490 S492R281-G494 PolarHBondContact NE-O 3.05Å; R281-G494 PolarHBondContact NH2-O 3.25Å; A490-G494 CarbonylContact O-C 3.57Å; A490-G494 WeakPolarHBondContact O-CA 3.41Å; A490-G494 PolarHBondContact O-N 3.02Å; S492-G494 PolarHBondContact O-N 3.2Å
495V45Very low56.5Low130 Ų13037.7 Ų37.779%0.78821%0.209SC*.  trans-105.90-179.8-177.90000111.2R341 A490 A493R341-V495 PolarHBondContact NH1-O 2.89Å; A490-V495 PolarHBondContact O-N 2.63Å; A493-V495 VanDerWaalsContact C-N 3.3Å; A493-V495 HydrophobicContact CB-CG2 3.95Å; A493-V495 PolarHBondContact O-N 3.3Å

Retrieved 495 of 495 residues in 403.2 ms (Link to these results)

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