A0A087XN89_POEFO Loading...

Protein THEM6

AlphaFold DB , UniProt , Accession A0A087XN89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 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
1M86.4Confident94.7Very high192 Ų192109.7 Ų109.795%0.94660%0.597SS**  0-58.30-164.2165.36600112.2L3 L4 V5M1-L3 PolarHBondContact O-N 2.73Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-V5 PolarHBondContact O-N 3.28Å; M1-V5 VanDerWaalsContact O-N 3.17Å
2M93.9Very high94.7Very high143 Ų143106.9 Ų106.970%0.70458%0.58SS**Hα-helixtrans-56-47.3-179.2-173.7177.872.500114.5L4 V5 L6M2-L4 VanDerWaalsContact C-N 3.32Å; M2-L4 PolarHBondContact O-N 3.11Å; M2-V5 PolarHBondContact O-N 3.38Å; M2-L6 HydrophobicContact CG-CD1 4.13Å; M2-L6 WeakPolarHBondContact O-CG 3.16Å; M2-L6 PolarHBondContact O-N 3.48Å
3L95.6Very high94.7Very high134 Ų134105.8 Ų105.870%0.70257%0.567SS**Hα-helixtrans-58.7-40.4176.9-88.8146.8000112.9M1 L6 S7M1-L3 PolarHBondContact O-N 2.73Å; L3-L6 PolarHBondContact O-N 2.87Å; L3-S7 WeakPolarHBondContact O-CB 3.3Å; L3-S7 PolarHBondContact O-N 3.14Å; L3-S7 PolarHBondContact O-OG 3.48Å
4L95.9Very high94.7Very high133 Ų133104.9 Ų104.970%0.69657%0.571SS**Hα-helixtrans-65.4-40.7178.1-66.8171.2000111.5M1 M2 A8M1-L4 PolarHBondContact O-N 3.31Å; M2-L4 VanDerWaalsContact C-N 3.32Å; M2-L4 PolarHBondContact O-N 3.11Å; L4-A8 WeakPolarHBondContact O-CB 3.4Å; L4-A8 PolarHBondContact O-N 3.35Å
5V95.8Very high94.8Very high78 Ų78106.2 Ų106.247%0.47358%0.578SS.*Hα-helixtrans-65.1-46.2176.8175.20000110.8M1 M2 S7 A8 L9M1-V5 PolarHBondContact O-N 3.28Å; M1-V5 VanDerWaalsContact O-N 3.17Å; M2-V5 PolarHBondContact O-N 3.38Å; V5-S7 PolarHBondContact O-N 3.24Å; V5-A8 PolarHBondContact O-N 3Å; V5-L9 HydrophobicContact CG1-CD1 4.06Å; V5-L9 HydrophobicContact CG1-CG 4.43Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 2.9Å
6L96.3Very high94.8Very high100 Ų100105.2 Ų105.252%0.52457%0.571SS.*Hα-helixtrans-62.8-42.6178.1-69.6173.4000111.9M2 L3 A8 L9 L10M2-L6 HydrophobicContact CG-CD1 4.13Å; M2-L6 WeakPolarHBondContact O-CG 3.16Å; M2-L6 PolarHBondContact O-N 3.48Å; L3-L6 PolarHBondContact O-N 2.87Å; L6-A8 PolarHBondContact O-N 2.97Å; L6-L9 PolarHBondContact O-N 2.94Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 3.03Å
7S96.4Very high94.7Very high63 Ų63103.4 Ų103.444%0.44156%0.561SS.*Hα-helixtrans-62.8-41.4175.2-64.10000112L3 V5 L10 L11L3-S7 WeakPolarHBondContact O-CB 3.3Å; L3-S7 PolarHBondContact O-N 3.14Å; L3-S7 PolarHBondContact O-OG 3.48Å; V5-S7 PolarHBondContact O-N 3.24Å; S7-L10 PolarHBondContact O-N 3.49Å; S7-L11 WeakPolarHBondContact O-CB 3.27Å; S7-L11 VanDerWaalsContact O-CG 3.28Å; S7-L11 WeakPolarHBondContact O-CG 3.45Å; S7-L11 PolarHBondContact O-N 3.38Å
8A95.7Very high94.7Very high58 Ų5898.3 Ų98.348%0.47953%0.534SS..Hα-helixtrans-64.8-43.9176.700000112.1L4 V5 L6 L11 L12L4-A8 WeakPolarHBondContact O-CB 3.4Å; L4-A8 PolarHBondContact O-N 3.35Å; V5-A8 PolarHBondContact O-N 3Å; L6-A8 PolarHBondContact O-N 2.97Å; A8-L11 PolarHBondContact O-N 3.26Å; A8-L12 WeakPolarHBondContact O-CB 3.26Å; A8-L12 PolarHBondContact O-N 2.93Å
9L94.6Very high94.5Very high84 Ų8499.7 Ų99.744%0.4453%0.531SS..Hα-helixtrans-62.5-43.8175.4-71.2173.6000111.3V5 L6 L11 L12 F13V5-L9 HydrophobicContact CG1-CD1 4.06Å; V5-L9 HydrophobicContact CG1-CG 4.43Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 2.9Å; L6-L9 PolarHBondContact O-N 2.94Å; L9-L11 PolarHBondContact O-N 3.18Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 2.84Å; L9-L12 VanDerWaalsContact O-N 3.17Å; L9-F13 WeakPolarHBondContact O-CD2 3.48Å; L9-F13 PolarHBondContact O-N 3.46Å
10L95.4Very high94.5Very high112 Ų11298 Ų9859%0.58652%0.517SS*.Hα-helixtrans-59.8-47.5176.218063.1000111.2L6 S7 L12 F13 C14L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 PolarHBondContact O-N 3.03Å; S7-L10 PolarHBondContact O-N 3.49Å; L10-L12 VanDerWaalsContact C-N 3.25Å; L10-L12 PolarHBondContact O-N 3.47Å; L10-F13 PolarHBondContact O-N 3.43Å; L10-C14 WeakPolarHBondContact O-CB 3.46Å; L10-C14 PolarHBondContact O-N 3.36Å; L10-C14 PolarHBondContact O-SG 2.78Å
11L95.6Very high94.6Very high110 Ų11099.2 Ų99.258%0.57652%0.518SS*.Hα-helixtrans-57.9-40.8175.6-73.4169.9000111.5S7 A8 L9 C14 N15S7-L11 WeakPolarHBondContact O-CB 3.27Å; S7-L11 VanDerWaalsContact O-CG 3.28Å; S7-L11 WeakPolarHBondContact O-CG 3.45Å; S7-L11 PolarHBondContact O-N 3.38Å; A8-L11 PolarHBondContact O-N 3.26Å; L9-L11 PolarHBondContact O-N 3.18Å; L11-C14 PolarHBondContact O-N 3.5Å; L11-N15 WeakPolarHBondContact O-CB 3.28Å; L11-N15 PolarHBondContact O-N 2.83Å; L11-N15 VanDerWaalsContact O-N 3.13Å; L11-N15 PolarHBondContact O-ND2 3.31Å
12L94.9Very high95Very high76 Ų7694.8 Ų94.840%0.39850%0.498SS..Hα-helixtrans-61.2-49.5176.1-165.977.5000111.4A8 L9 L10 C14 N15 L16 V18A8-L12 WeakPolarHBondContact O-CB 3.26Å; A8-L12 PolarHBondContact O-N 2.93Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 2.84Å; L9-L12 VanDerWaalsContact O-N 3.17Å; L10-L12 VanDerWaalsContact C-N 3.25Å; L10-L12 PolarHBondContact O-N 3.47Å; L12-C14 VanDerWaalsContact C-N 3.31Å; L12-C14 PolarHBondContact O-N 3.5Å; L12-N15 PolarHBondContact O-N 2.9Å; L12-L16 HydrophobicContact CD1-CD1 3.66Å; L12-L16 HydrophobicContact CG-CD1 4.42Å; L12-L16 PolarHBondContact O-N 2.88Å; L12-V18 HydrophobicContact CB-CG2 4.34Å; L12-V18 HydrophobicContact CD2-CG1 4.34Å; L12-V18 HydrophobicContact CD2-CG2 3.75Å; L12-V18 HydrophobicContact CG-CG2 3.66Å
13F94.5Very high95Very high92 Ų9291.4 Ų91.440%0.40448%0.477SS..Hα-helixtrans-66.6-29.3179.1-89-83.6000113.7L9 L10 V18 W19L9-F13 WeakPolarHBondContact O-CD2 3.48Å; L9-F13 PolarHBondContact O-N 3.46Å; L10-F13 PolarHBondContact O-N 3.43Å; F13-V18 HydrophobicContact CD1-CB 4Å; F13-V18 HydrophobicContact CD1-CG2 4.05Å; F13-V18 HydrophobicContact CD2-CG2 4.13Å; F13-V18 HydrophobicContact CE1-CB 3.73Å; F13-V18 HydrophobicContact CE1-CG1 4.05Å; F13-V18 HydrophobicContact CE1-CG2 4.24Å; F13-V18 HydrophobicContact CE2-CB 4.28Å; F13-V18 HydrophobicContact CE2-CG1 3.98Å; F13-V18 HydrophobicContact CE2-CG2 4.31Å; F13-V18 HydrophobicContact CG-CB 4.39Å; F13-V18 HydrophobicContact CG-CG2 3.99Å; F13-V18 HydrophobicContact CZ-CB 3.88Å; F13-V18 HydrophobicContact CZ-CG1 3.67Å; F13-V18 HydrophobicContact CZ-CG2 4.37Å; F13-W19 AromaticContact CE1-CE2 3.93Å; F13-W19 HydrophobicContact CE1-CZ2 4.34Å; F13-W19 AromaticContact CE1-NE1 3.59Å; F13-W19 HydrophobicContact CZ-CZ2 4.33Å
14C94.8Very high95Very high93 Ų9385.3 Ų85.363%0.62845%0.447SS*.Hα-helixtrans-75.4-27.6175.7-70.80000113L10 L11 L12L10-C14 WeakPolarHBondContact O-CB 3.46Å; L10-C14 PolarHBondContact O-N 3.36Å; L10-C14 PolarHBondContact O-SG 2.78Å; L11-C14 PolarHBondContact O-N 3.5Å; L12-C14 VanDerWaalsContact C-N 3.31Å; L12-C14 PolarHBondContact O-N 3.5Å
15N95.9Very high95Very high125 Ų12581.6 Ų81.667%0.66844%0.435SS*.Hα-helixtrans-108.1-19.6-172.1-71.3-84.1000114L11 L12L11-N15 WeakPolarHBondContact O-CB 3.28Å; L11-N15 PolarHBondContact O-N 2.83Å; L11-N15 VanDerWaalsContact O-N 3.13Å; L11-N15 PolarHBondContact O-ND2 3.31Å; L12-N15 PolarHBondContact O-N 2.9Å
16L94.4Very high95Very high90 Ų9081.5 Ų81.547%0.47143%0.432SS..SBendtrans-132.5148.6-177.2-61.1177000111.1L12 V18L12-L16 HydrophobicContact CD1-CD1 3.66Å; L12-L16 HydrophobicContact CG-CD1 4.42Å; L12-L16 PolarHBondContact O-N 2.88Å; L16-V18 HydrophobicContact CB-CG2 4.42Å; L16-V18 PolarHBondContact O-N 3Å
17D93.6Very high95Very high74 Ų7476.8 Ų76.840%0.39641%0.407SS..  trans-75.277.7164.7-169.1-18.6000109.4W19 Y20 F21D17-W19 PolarHBondContact O-N 2.81Å; D17-W19 PolarHBondContact OD1-N 3.41Å; D17-Y20 VanDerWaalsContact CG-CB 3.42Å; D17-Y20 WeakPolarHBondContact O-CB 3.43Å; D17-Y20 PolarHBondContact O-N 3.37Å; D17-Y20 VanDerWaalsContact O-N 3.1Å; D17-Y20 PolarHBondContact OD1-N 2.69Å; D17-F21 WeakPolarHBondContact O-CD2 3.26Å; D17-F21 PolarHBondContact O-N 3.38Å
18V94.1Very high94.9Very high13 Ų1376.4 Ų76.48%0.07940%0.397CS..Hα-helixtrans-54.7-39.7-178.3177.80000111.1L12 F13 L16 Y20 F21 L22L12-V18 HydrophobicContact CB-CG2 4.34Å; L12-V18 HydrophobicContact CD2-CG1 4.34Å; L12-V18 HydrophobicContact CD2-CG2 3.75Å; L12-V18 HydrophobicContact CG-CG2 3.66Å; F13-V18 HydrophobicContact CD1-CB 4Å; F13-V18 HydrophobicContact CD1-CG2 4.05Å; F13-V18 HydrophobicContact CD2-CG2 4.13Å; F13-V18 HydrophobicContact CE1-CB 3.73Å; F13-V18 HydrophobicContact CE1-CG1 4.05Å; F13-V18 HydrophobicContact CE1-CG2 4.24Å; F13-V18 HydrophobicContact CE2-CB 4.28Å; F13-V18 HydrophobicContact CE2-CG1 3.98Å; F13-V18 HydrophobicContact CE2-CG2 4.31Å; F13-V18 HydrophobicContact CG-CB 4.39Å; F13-V18 HydrophobicContact CG-CG2 3.99Å; F13-V18 HydrophobicContact CZ-CB 3.88Å; F13-V18 HydrophobicContact CZ-CG1 3.67Å; F13-V18 HydrophobicContact CZ-CG2 4.37Å; L16-V18 HydrophobicContact CB-CG2 4.42Å; L16-V18 PolarHBondContact O-N 3Å; V18-Y20 PolarHBondContact O-N 3.36Å; V18-F21 PolarHBondContact O-N 2.87Å; V18-L22 HydrophobicContact CG1-CD1 3.74Å; V18-L22 HydrophobicContact CG1-CG 4.11Å; V18-L22 WeakPolarHBondContact O-CB 3.32Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.22Å; V18-L22 PolarHBondContact O-N 3.18Å
19W92.6Very high94.9Very high125 Ų12577.5 Ų77.547%0.47340%0.398SS..Hα-helixtrans-64.8-39.6179.5-69.4120.3000112.3F13 D17 L22 R23F13-W19 AromaticContact CE1-CE2 3.93Å; F13-W19 HydrophobicContact CE1-CZ2 4.34Å; F13-W19 AromaticContact CE1-NE1 3.59Å; F13-W19 HydrophobicContact CZ-CZ2 4.33Å; D17-W19 PolarHBondContact O-N 2.81Å; D17-W19 PolarHBondContact OD1-N 3.41Å; W19-L22 HydrophobicContact CE3-CD1 4.38Å; W19-L22 HydrophobicContact CZ3-CD1 4.42Å; W19-R23 WeakPolarHBondContact O-CB 3.47Å; W19-R23 PolarHBondContact O-N 3.44Å
20Y94.3Very high94.9Very high65 Ų6577.3 Ų77.326%0.25540%0.395SS..Hα-helixtrans-59-49.3174.8174.9-94.5000112D17 V18 R23 G24 R68 F72D17-Y20 VanDerWaalsContact CG-CB 3.42Å; D17-Y20 WeakPolarHBondContact O-CB 3.43Å; D17-Y20 PolarHBondContact O-N 3.37Å; D17-Y20 VanDerWaalsContact O-N 3.1Å; D17-Y20 PolarHBondContact OD1-N 2.69Å; V18-Y20 PolarHBondContact O-N 3.36Å; Y20-R23 PolarHBondContact O-N 3.22Å; Y20-G24 PolarHBondContact O-N 3.4Å; Y20-R68 HydrophobicContact CD2-CG 4.01Å; Y20-R68 HydrophobicContact CE2-CG 4.45Å; Y20-F72 AromaticContact CD2-CE1 3.83Å; Y20-F72 HydrophobicContact CD2-CE1 3.83Å; Y20-F72 AromaticContact CD2-CZ 3.62Å; Y20-F72 HydrophobicContact CD2-CZ 3.62Å; Y20-F72 AromaticContact CE2-CE1 3.87Å; Y20-F72 HydrophobicContact CE2-CE1 3.87Å; Y20-F72 HydrophobicContact CE2-CZ 4.06Å; Y20-F72 HydrophobicContact CG-CZ 4.35Å
21F95.3Very high94.8Very high124 Ų12472.2 Ų72.254%0.54437%0.369SS..Hα-helixtrans-69-40.7-178.2-68.6-71.4000112.9D17 V18 G24 A25D17-F21 WeakPolarHBondContact O-CD2 3.26Å; D17-F21 PolarHBondContact O-N 3.38Å; V18-F21 PolarHBondContact O-N 2.87Å; F21-G24 PolarHBondContact O-N 2.97Å; F21-A25 WeakPolarHBondContact O-CB 3.42Å; F21-A25 PolarHBondContact O-N 2.93Å
22L94.6Very high94.7Very high99 Ų9974.8 Ų74.852%0.51837%0.371SS..Hα-helixtrans-63.1-45.5175.9-71.7178000111.5V18 W19 A25 L26V18-L22 HydrophobicContact CG1-CD1 3.74Å; V18-L22 HydrophobicContact CG1-CG 4.11Å; V18-L22 WeakPolarHBondContact O-CB 3.32Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.22Å; V18-L22 PolarHBondContact O-N 3.18Å; W19-L22 HydrophobicContact CE3-CD1 4.38Å; W19-L22 HydrophobicContact CZ3-CD1 4.42Å; L22-A25 PolarHBondContact O-N 2.62Å; L22-L26 WeakPolarHBondContact O-CB 2.92Å; L22-L26 PolarHBondContact O-N 3.22Å
23R94.4Very high94.6Very high72 Ų7279 Ų7927%0.27239%0.386SS..Hα-helixtrans-65.2-42.7178.5-176.261.4168.7178.94.5111.5W19 Y20 L26 V27 E69 F72W19-R23 WeakPolarHBondContact O-CB 3.47Å; W19-R23 PolarHBondContact O-N 3.44Å; Y20-R23 PolarHBondContact O-N 3.22Å; R23-L26 PolarHBondContact O-N 2.93Å; R23-V27 VanDerWaalsContact O-CG2 3.3Å; R23-V27 WeakPolarHBondContact O-CG2 3.45Å; R23-V27 PolarHBondContact O-N 2.97Å; R23-E69 IonicContact NE-OE2 3.93Å; R23-E69 IonicContact NH2-OE2 2.89Å; R23-F72 HydrophobicContact CB-CE1 4.11Å; R23-F72 HydrophobicContact CB-CE2 3.91Å; R23-F72 HydrophobicContact CB-CZ 3.7Å; R23-F72 HydrophobicContact CG-CD1 4.21Å; R23-F72 HydrophobicContact CG-CD2 3.52Å; R23-F72 HydrophobicContact CG-CE1 4.04Å; R23-F72 HydrophobicContact CG-CE2 3.31Å; R23-F72 HydrophobicContact CG-CG 3.99Å; R23-F72 HydrophobicContact CG-CZ 3.61Å
24G95.9Very high94.5Very high6 Ų678.3 Ų78.36%0.06239%0.386CS..Hα-helixtrans-59-49.717400000111.9Y20 F21 L26 V27 F28Y20-G24 PolarHBondContact O-N 3.4Å; F21-G24 PolarHBondContact O-N 2.97Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 3.44Å; G24-V27 PolarHBondContact O-N 2.78Å; G24-F28 WeakPolarHBondContact O-CD2 3.33Å; G24-F28 PolarHBondContact O-N 2.91Å
25A96.1Very high94.4Very high54 Ų5478.3 Ų78.345%0.44639%0.385SS..Hα-helixtrans-59.1-44.2177.500000112.1F21 L22 V27 F28 V29F21-A25 WeakPolarHBondContact O-CB 3.42Å; F21-A25 PolarHBondContact O-N 2.93Å; L22-A25 PolarHBondContact O-N 2.62Å; A25-V27 VanDerWaalsContact C-N 3.34Å; A25-V27 PolarHBondContact O-N 2.98Å; A25-F28 PolarHBondContact O-N 2.96Å; A25-V29 VanDerWaalsContact O-CG2 3.29Å; A25-V29 WeakPolarHBondContact O-CG2 3.41Å; A25-V29 PolarHBondContact O-N 3.27Å
26L96.1Very high94.2Very high77 Ų7778.3 Ų78.340%0.40338%0.376SS..Hα-helixtrans-57.8-47.3175.4178.563.6000111.2L22 R23 G24 F28 V29 E30L22-L26 WeakPolarHBondContact O-CB 2.92Å; L22-L26 PolarHBondContact O-N 3.22Å; R23-L26 PolarHBondContact O-N 2.93Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 3.44Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.06Å; L26-V29 PolarHBondContact O-N 3.16Å; L26-E30 HydrophobicContact CD1-CG 4.08Å; L26-E30 HydrophobicContact CG-CG 4.25Å; L26-E30 WeakPolarHBondContact CG-OE1 3.41Å; L26-E30 WeakPolarHBondContact O-CB 3.25Å; L26-E30 VanDerWaalsContact O-CG 3.31Å; L26-E30 WeakPolarHBondContact O-CG 3.43Å; L26-E30 PolarHBondContact O-N 3.19Å
27V96.2Very high94.1Very high0 Ų075.8 Ų75.80%036%0.362CS..Hα-helixtrans-62.5-39.3179.1167.80000112.2R23 G24 A25 A31 I46 F72 F75 H76R23-V27 VanDerWaalsContact O-CG2 3.3Å; R23-V27 WeakPolarHBondContact O-CG2 3.45Å; R23-V27 PolarHBondContact O-N 2.97Å; G24-V27 PolarHBondContact O-N 2.78Å; A25-V27 VanDerWaalsContact C-N 3.34Å; A25-V27 PolarHBondContact O-N 2.98Å; V27-A31 WeakPolarHBondContact O-CB 3.33Å; V27-A31 PolarHBondContact O-N 3.1Å; V27-I46 HydrophobicContact CG2-CD1 4.07Å; V27-F72 WeakPolarHBondContact CG1-O 3.25Å; V27-F72 HydrophobicContact CG2-CB 4.16Å; V27-F75 HydrophobicContact CG1-CB 4.23Å; V27-H76 HydrophobicContact CG1-CB 3.68Å
28F94.6Very high93.8Very high56 Ų5678.5 Ų78.525%0.24637%0.372CS..Hα-helixtrans-62.9-44.9173.9-82.9-69.4000111.9G24 A25 L26 W32 F75 M79 F84G24-F28 WeakPolarHBondContact O-CD2 3.33Å; G24-F28 PolarHBondContact O-N 2.91Å; A25-F28 PolarHBondContact O-N 2.96Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.06Å; F28-W32 WeakPolarHBondContact O-CB 3.07Å; F28-W32 PolarHBondContact O-N 3.23Å; F28-F75 HydrophobicContact CE1-CB 4.39Å; F28-F75 HydrophobicContact CE2-CB 4.24Å; F28-F75 AromaticContact CE2-CD2 3.97Å; F28-F75 HydrophobicContact CE2-CD2 3.97Å; F28-F75 HydrophobicContact CE2-CG 4.11Å; F28-F75 HydrophobicContact CZ-CB 3.95Å; F28-F75 HydrophobicContact CZ-CD1 4.37Å; F28-F75 HydrophobicContact CZ-CD2 4.28Å; F28-F75 AromaticContact CZ-CG 3.96Å; F28-F75 HydrophobicContact CZ-CG 3.96Å; F28-M79 HydrophobicContact CD1-CE 4.2Å; F28-M79 HydrophobicContact CD1-CG 3.43Å; F28-M79 VanDerWaalsContact CD1-CG 3.43Å; F28-M79 HydrophobicContact CD1-SD 3.55Å; F28-M79 VanDerWaalsContact CD1-SD 3.55Å; F28-M79 HydrophobicContact CE1-CG 3.6Å; F28-M79 HydrophobicContact CE1-SD 3.77Å; F28-F84 HydrophobicContact CD1-CZ 4.39Å; F28-F84 HydrophobicContact CE1-CD1 4.37Å; F28-F84 AromaticContact CE1-CD2 3.82Å; F28-F84 HydrophobicContact CE1-CD2 3.82Å; F28-F84 HydrophobicContact CE1-CE1 4.08Å; F28-F84 AromaticContact CE1-CE2 3.52Å; F28-F84 HydrophobicContact CE1-CE2 3.52Å; F28-F84 HydrophobicContact CE1-CG 4.22Å; F28-F84 AromaticContact CE1-CZ 3.63Å; F28-F84 HydrophobicContact CE1-CZ 3.63Å; F28-F84 HydrophobicContact CZ-CD2 4.26Å; F28-F84 AromaticContact CZ-CE2 3.74Å; F28-F84 HydrophobicContact CZ-CE2 3.74Å; F28-F84 HydrophobicContact CZ-CZ 4.1Å
29V94.7Very high93.7Very high81 Ų8181.9 Ų81.949%0.49139%0.39SS..Hα-helixtrans-65.1-48.1178.9172.30000110.6A25 L26 A31 W32 F33A25-V29 VanDerWaalsContact O-CG2 3.29Å; A25-V29 WeakPolarHBondContact O-CG2 3.41Å; A25-V29 PolarHBondContact O-N 3.27Å; L26-V29 PolarHBondContact O-N 3.16Å; V29-A31 PolarHBondContact O-N 3.46Å; V29-W32 WeakPolarHBondContact O-CB 3.18Å; V29-W32 PolarHBondContact O-N 3.36Å; V29-F33 HydrophobicContact CG1-CD2 4.22Å; V29-F33 HydrophobicContact CG1-CE2 3.8Å; V29-F33 WeakPolarHBondContact O-CD2 3.45Å; V29-F33 PolarHBondContact O-N 2.94Å
30E94.4Very high93.7Very high79 Ų7975.9 Ų75.937%0.36937%0.368SS..Hα-helixtrans-56.8-50.6176.2-74.5174.6170.900111.1L26 W32 F33 L34L26-E30 HydrophobicContact CD1-CG 4.08Å; L26-E30 HydrophobicContact CG-CG 4.25Å; L26-E30 WeakPolarHBondContact CG-OE1 3.41Å; L26-E30 WeakPolarHBondContact O-CB 3.25Å; L26-E30 VanDerWaalsContact O-CG 3.31Å; L26-E30 WeakPolarHBondContact O-CG 3.43Å; L26-E30 PolarHBondContact O-N 3.19Å; E30-W32 PolarHBondContact O-N 3.26Å; E30-F33 PolarHBondContact O-N 2.91Å; E30-L34 WeakPolarHBondContact O-CG 3.33Å; E30-L34 PolarHBondContact O-N 3.42Å
31A94.1Very high93.7Very high5 Ų574.9 Ų74.94%0.04137%0.366CS..Hα-helixtrans-63.2-27.8179.900000113.2V27 V29 F33 L34 M79 R80V27-A31 WeakPolarHBondContact O-CB 3.33Å; V27-A31 PolarHBondContact O-N 3.1Å; V29-A31 PolarHBondContact O-N 3.46Å; A31-F33 VanDerWaalsContact C-N 3.32Å; A31-L34 PolarHBondContact O-N 3.02Å; A31-M79 HydrophobicContact CB-CB 3.54Å; A31-M79 HydrophobicContact CB-CG 4.2Å; A31-R80 HydrophobicContact CB-CG 4.05Å
32W92.6Very high93.6Very high164 Ų16470.2 Ų70.262%0.62135%0.351SS*.Hα-helixtrans-66.3-33.3177.8-165.2-74.7000112.8F28 V29 E30 M79 M85F28-W32 WeakPolarHBondContact O-CB 3.07Å; F28-W32 PolarHBondContact O-N 3.23Å; V29-W32 WeakPolarHBondContact O-CB 3.18Å; V29-W32 PolarHBondContact O-N 3.36Å; E30-W32 PolarHBondContact O-N 3.26Å; W32-M79 HydrophobicContact CD2-CE 4.45Å; W32-M79 HydrophobicContact CE3-CE 3.55Å; W32-M79 HydrophobicContact CZ3-CE 4.14Å; W32-M85 HydrophobicContact CH2-CE 3.83Å; W32-M85 HydrophobicContact CZ3-CE 4.11Å
33F93.1Very high93.7Very high166 Ų16669.7 Ų69.773%0.72835%0.346SS*.Hα-helixtrans-90.7-12.5-179.6-67.3-69000113.6V29 E30 A31V29-F33 HydrophobicContact CG1-CD2 4.22Å; V29-F33 HydrophobicContact CG1-CE2 3.8Å; V29-F33 WeakPolarHBondContact O-CD2 3.45Å; V29-F33 PolarHBondContact O-N 2.94Å; E30-F33 PolarHBondContact O-N 2.91Å; A31-F33 VanDerWaalsContact C-N 3.32Å
34L93.4Very high93.8Very high77 Ų7766.5 Ų66.540%0.40333%0.334SS..SBendtrans-82.8149.6177.3-69.6173.8000111.4E30 A31 H76E30-L34 WeakPolarHBondContact O-CG 3.33Å; E30-L34 PolarHBondContact O-N 3.42Å; A31-L34 PolarHBondContact O-N 3.02Å; L34-H76 WeakPolarHBondContact CD1-NE2 3.37Å
35P91.1Very high93.8Very high92 Ų9268.8 Ų68.860%0.59735%0.349SS*.PPolyproline II helixtrans-62.6143.2177.725.3-32.9000110.7R80P35-R80 PolarHBondContact O-NE 2.74Å; P35-R80 VanDerWaalsContact O-NE 3.11Å; P35-R80 PolarHBondContact O-NH2 2.96Å
36R91.8Very high93.8Very high126 Ų12667 Ų6748%0.47533%0.331SS..PPolyproline II helixtrans-63.8140.9174.3-165-174.4173.8-177.3-8.6110R80 N81 T163R36-R80 CarbonylContact C-O 3.53Å; R36-R80 WeakPolarHBondContact CA-O 3.49Å; R36-R80 WeakPolarHBondContact CG-O 3.42Å; R36-N81 PolarHBondContact NE-O 3.09Å; R36-N81 PolarHBondContact NH2-O 3.49Å; R36-T163 PolarHBondContact NH2-O 2.86Å
37I92.9Very high93.8Very high37 Ų3767.3 Ų67.319%0.1933%0.333CS..  trans-105.6109172.8-61.9175.2000106.9D39 A42 Q44 R80 N81I37-D39 VanDerWaalsContact C-N 3.31Å; I37-A42 HydrophobicContact CG2-CB 3.99Å; I37-Q44 HydrophobicContact CD1-CG 3.69Å; I37-R80 PolarHBondContact N-O 2.87Å; I37-N81 WeakPolarHBondContact O-CA 3.49Å
38E88.3Confident93.8Very high130 Ų13067.9 Ų67.961%0.60734%0.34SS*.  trans-76.6-18.4-176.4-64-169.2169.400113.8Y164E38-Y164 WeakPolarHBondContact O-CD1 3.36Å; E38-Y164 WeakPolarHBondContact O-CE1 3.17Å
39D91.4Very high93.9Very high84 Ų8469.7 Ų69.745%0.44935%0.35SS..  trans-87.2111.9175.3-1785.8000109.9I37 L41 A42I37-D39 VanDerWaalsContact C-N 3.31Å; D39-L41 PolarHBondContact O-N 2.93Å; D39-L41 WeakPolarHBondContact OD1-CB 3.41Å; D39-L41 PolarHBondContact OD1-N 3.29Å; D39-A42 HydrophobicContact CB-CB 3.8Å; D39-A42 WeakPolarHBondContact O-CB 3.23Å; D39-A42 PolarHBondContact O-N 3.47Å; D39-A42 PolarHBondContact OD1-N 3.43Å; D39-A42 PolarHBondContact OD2-N 3.02Å
40I92.4Very high94Very high0 Ų065.9 Ų65.90%033%0.327CS..THydrogen-bonded Turntrans-65.1-29.7176.2-171167.6000112.6A42 L83 V119 W122 F127 M160 Y164 I168I40-A42 VanDerWaalsContact C-N 3.32Å; I40-L83 HydrophobicContact CD1-CD1 3.87Å; I40-L83 HydrophobicContact CD1-CD2 4.21Å; I40-L83 HydrophobicContact CD1-CG 4.47Å; I40-L83 HydrophobicContact CG1-CD1 4.48Å; I40-V119 HydrophobicContact CD1-CG1 4.34Å; I40-V119 HydrophobicContact CD1-CG2 4.38Å; I40-V119 HydrophobicContact CG1-CB 4.09Å; I40-V119 HydrophobicContact CG1-CG1 4.26Å; I40-V119 HydrophobicContact CG1-CG2 3.92Å; I40-W122 HydrophobicContact CD1-CE3 4.37Å; I40-W122 HydrophobicContact CD1-CZ3 4.08Å; I40-W122 HydrophobicContact CG2-CH2 3.96Å; I40-W122 HydrophobicContact CG2-CZ3 3.82Å; I40-F127 HydrophobicContact CD1-CD1 4.39Å; I40-F127 HydrophobicContact CD1-CE1 3.94Å; I40-M160 HydrophobicContact CB-CE 4.33Å; I40-M160 HydrophobicContact CD1-CE 3.82Å; I40-M160 HydrophobicContact CD1-SD 3.26Å; I40-M160 WeakPolarHBondContact CD1-SD 3.44Å; I40-M160 HydrophobicContact CG2-CE 3.81Å; I40-Y164 HydrophobicContact CB-CE2 4.13Å; I40-Y164 WeakPolarHBondContact CB-OH 3.37Å; I40-Y164 HydrophobicContact CD1-CE2 4.43Å; I40-I168 HydrophobicContact CG2-CG2 4.42Å
41L93.6Very high94.1Very high43 Ų4365.6 Ų65.623%0.22533%0.327CS..THydrogen-bonded Turntrans-87.1-9.3-176.5-57.7-179.7000111.7D39 E43 K118 V119 W122 P171D39-L41 PolarHBondContact O-N 2.93Å; D39-L41 WeakPolarHBondContact OD1-CB 3.41Å; D39-L41 PolarHBondContact OD1-N 3.29Å; L41-E43 PolarHBondContact O-N 2.91Å; L41-K118 VanDerWaalsContact O-CE 3.28Å; L41-K118 WeakPolarHBondContact O-CE 3.38Å; L41-V119 HydrophobicContact CD2-CG1 4.47Å; L41-V119 WeakPolarHBondContact CD2-O 3.29Å; L41-W122 HydrophobicContact CD2-CZ3 3.98Å; L41-P171 HydrophobicContact CD1-CB 4.32Å; L41-P171 HydrophobicContact CD1-CG 3.96Å; L41-P171 HydrophobicContact CD2-CG 3.82Å
42A94.3Very high94.2Very high27 Ų2769.7 Ų69.722%0.22335%0.354CS..SBendtrans-65133.6174.100000110.4I37 D39 I40 Q44I37-A42 HydrophobicContact CG2-CB 3.99Å; D39-A42 HydrophobicContact CB-CB 3.8Å; D39-A42 WeakPolarHBondContact O-CB 3.23Å; D39-A42 PolarHBondContact O-N 3.47Å; D39-A42 PolarHBondContact OD1-N 3.43Å; D39-A42 PolarHBondContact OD2-N 3.02Å; I40-A42 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 3.21Å
43E96.3Very high94.2Very high87 Ų8764.9 Ų64.941%0.40734%0.338SS..  trans-67.1130.9172.8-175.2179.693.700109.7L41 R116L41-E43 PolarHBondContact O-N 2.91Å; E43-R116 HydrophobicContact CG-CB 3.93Å; E43-R116 HydrophobicContact CG-CG 4.43Å; E43-R116 VanDerWaalsContact OE1-CD 3.23Å; E43-R116 WeakPolarHBondContact OE1-CD 3.25Å; E43-R116 IonicContact OE1-NE 3.55Å; E43-R116 IonicContact OE1-NH1 2.87Å
44Q95.8Very high94.3Very high6 Ų657.2 Ų57.23%0.02831%0.305CS..EExtended strand (participates in β ladder)trans-115.3138.8173.1-50.6-172.824.700110.2I37 A42 H77 R116 T117I37-Q44 HydrophobicContact CD1-CG 3.69Å; A42-Q44 PolarHBondContact O-N 3.21Å; Q44-H77 VanDerWaalsContact CD-CD2 3.4Å; Q44-H77 PolarHBondContact NE2-CD2 3.44Å; Q44-R116 CarbonylContact O-C 3.56Å; Q44-R116 WeakPolarHBondContact O-CA 3.26Å; Q44-T117 PolarHBondContact N-O 3.5Å; Q44-T117 PolarHBondContact O-N 3.38Å
45S96Very high94.5Very high53 Ų5356 Ų5637%0.37130%0.299SS..EExtended strand (participates in β ladder)trans-114.2138.2179.560.50000112.6Q114 I115S45-Q114 VanDerWaalsContact CB-CD 3.42Å; S45-Q114 PolarHBondContact OG-NE2 2.82Å; S45-Q114 VanDerWaalsContact OG-NE2 3.15Å; S45-I115 WeakPolarHBondContact CA-O 3.22Å
46I96.3Very high94.7Very high16 Ų1653.8 Ų53.88%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-119.8141.9165-172.9169.7000109.6V27 A73 H76 Q114 I115V27-I46 HydrophobicContact CG2-CD1 4.07Å; I46-A73 HydrophobicContact CG2-CB 3.58Å; I46-H76 HydrophobicContact CD1-CB 4.27Å; I46-Q114 CarbonylContact O-C 3.54Å; I46-Q114 WeakPolarHBondContact O-CA 3.47Å; I46-I115 HydrophobicContact CG2-CB 3.86Å; I46-I115 HydrophobicContact CG2-CD1 4.26Å; I46-I115 HydrophobicContact CG2-CG1 4.33Å; I46-I115 PolarHBondContact N-O 2.66Å; I46-I115 PolarHBondContact O-N 2.98Å
47D97Very high94.8Very high84 Ų8459.2 Ų59.245%0.44930%0.304SS..EExtended strand (participates in β ladder)trans-90.8146.8179.5-70.2-25.6000111.8K136D47-K136 VanDerWaalsContact CG-CE 3.48Å; D47-K136 WeakPolarHBondContact OD1-CE 3.42Å; D47-K136 IonicContact OD1-NZ 3.88Å; D47-K136 PolarHBondContact OD1-NZ 3.02Å; D47-K136 IonicContact OD2-NZ 3.93Å; D47-K136 PolarHBondContact OD2-NZ 3.29Å
48G96Very high94.8Very high13 Ų1364.1 Ų64.113%0.13433%0.33CS..EExtended strand (participates in β ladder)trans-145.1165.6178.500000112.2A112 F113G48-A112 WeakPolarHBondContact O-CA 3.43Å; G48-F113 PolarHBondContact N-O 2.75Å; G48-F113 PolarHBondContact O-N 2.85Å; G48-F113 VanDerWaalsContact O-O 3.11Å
49M97.1Very high95Very high94 Ų9459.7 Ų59.746%0.46332%0.318SS..EExtended strand (participates in β ladder)trans-141.4141.6172.4-177.8177.6-67.700108.1L51 E111 A112M49-L51 PolarHBondContact O-N 3.14Å; M49-E111 WeakPolarHBondContact CA-O 3.44Å; M49-A112 HydrophobicContact CE-CB 4.39Å
50V97.3Very high95.1Very high0 Ų059.2 Ų59.20%031%0.314CS..  trans-71.1112.9176-176.30000109.6D54 L55 M61 L107 A108 R110 E111 F113V50-D54 HydrophobicContact CG1-CB 4.18Å; V50-L55 HydrophobicContact CG1-CD2 3.58Å; V50-M61 HydrophobicContact CG1-CB 4.07Å; V50-M61 HydrophobicContact CG2-CB 4.14Å; V50-M61 HydrophobicContact CG2-CG 4.5Å; V50-M61 HydrophobicContact CG2-SD 4.08Å; V50-L107 HydrophobicContact CG2-CB 3.66Å; V50-A108 VanDerWaalsContact CB-O 3.26Å; V50-A108 WeakPolarHBondContact CB-O 3.2Å; V50-A108 WeakPolarHBondContact CG2-O 3.32Å; V50-R110 PolarHBondContact O-N 3.4Å; V50-E111 PolarHBondContact N-O 2.81Å; V50-F113 HydrophobicContact CG2-CD1 4.18Å; V50-F113 HydrophobicContact CG2-CE1 3.97Å
51L96.5Very high95.3Very high73 Ų7359.3 Ų59.338%0.38231%0.314SS..  trans-92.8164.9-179.9-60179.9000111.5M49 H53 D54M49-L51 PolarHBondContact O-N 3.14Å; L51-H53 WeakPolarHBondContact CD1-NE2 3.31Å; L51-H53 PolarHBondContact O-N 2.88Å; L51-D54 WeakPolarHBondContact CB-OD2 3.48Å; L51-D54 PolarHBondContact N-OD2 3.02Å; L51-D54 WeakPolarHBondContact O-CB 3.38Å; L51-D54 PolarHBondContact O-N 3.45Å
52P95.6Very high95.5Very high92 Ų9259.9 Ų59.960%0.59732%0.317SS*.G310 helixtrans-54.4-37.3179.8-26.233.8000113.9D54 L55 F109P52-D54 PolarHBondContact O-N 2.9Å; P52-L55 PolarHBondContact O-N 2.9Å; P52-F109 HydrophobicContact CB-CE2 4.42Å; P52-F109 HydrophobicContact CG-CE2 3.73Å; P52-F109 HydrophobicContact CG-CZ 4.22Å
53H92.9Very high95.6Very high63 Ų6362.6 Ų62.629%0.29233%0.328SS..G310 helixtrans-78.2-1.2179.966.457.5000114.3L51 R65L51-H53 WeakPolarHBondContact CD1-NE2 3.31Å; L51-H53 PolarHBondContact O-N 2.88Å; H53-R65 PolarHBondContact O-NE 3.02Å; H53-R65 PolarHBondContact O-NH2 3.13Å
54D95.6Very high95.6Very high4 Ų461.6 Ų61.62%0.02133%0.331CS..G310 helixtrans-95.9-10.1176.3-58.4-39.4000112.4V50 L51 P52 M61 N62 R65 R68V50-D54 HydrophobicContact CG1-CB 4.18Å; L51-D54 WeakPolarHBondContact CB-OD2 3.48Å; L51-D54 PolarHBondContact N-OD2 3.02Å; L51-D54 WeakPolarHBondContact O-CB 3.38Å; L51-D54 PolarHBondContact O-N 3.45Å; P52-D54 PolarHBondContact O-N 2.9Å; D54-M61 HydrophobicContact CB-CG 4.47Å; D54-M61 WeakPolarHBondContact O-CA 3.42Å; D54-N62 WeakPolarHBondContact O-CB 3.38Å; D54-N62 PolarHBondContact O-N 2.91Å; D54-R65 HydrophobicContact CB-CG 4.14Å; D54-R65 WeakPolarHBondContact OD1-CD 3.48Å; D54-R65 IonicContact OD1-NE 3.45Å; D54-R65 PolarHBondContact OD1-NE 2.87Å; D54-R68 IonicContact OD1-CZ 3.83Å; D54-R68 IonicContact OD1-NH2 2.66Å; D54-R68 PolarHBondContact OD1-NH2 2.86Å
55L96.8Very high95.6Very high53 Ų5363.9 Ų63.928%0.27734%0.339SS..BIsolated β-bridgetrans-77.2146-177.3-56.9-179.3000112.2V50 P52 H60 F109V50-L55 HydrophobicContact CG1-CD2 3.58Å; P52-L55 PolarHBondContact O-N 2.9Å; L55-H60 CarbonylContact C-O 3.59Å; L55-H60 VanDerWaalsContact CA-O 3.29Å; L55-H60 WeakPolarHBondContact CA-O 3.49Å; L55-F109 HydrophobicContact CD1-CB 4Å; L55-F109 HydrophobicContact CD1-CD2 3.91Å; L55-F109 HydrophobicContact CD1-CG 4.1Å; L55-F109 HydrophobicContact CD2-CB 4.08Å
56D94.8Very high95.7Very high45 Ų4561.5 Ų61.524%0.24132%0.322CS..  trans-95-176.3164.865.319.5000112L58 G59 H60 N62D56-L58 PolarHBondContact O-N 3.25Å; D56-L58 VanDerWaalsContact O-N 3.15Å; D56-L58 VanDerWaalsContact OD1-CA 3.31Å; D56-L58 WeakPolarHBondContact OD1-CA 3.3Å; D56-L58 WeakPolarHBondContact OD1-CB 3.5Å; D56-L58 PolarHBondContact OD1-N 3.36Å; D56-G59 PolarHBondContact O-N 2.78Å; D56-G59 PolarHBondContact OD1-N 3.35Å; D56-H60 PolarHBondContact N-O 3.14Å; D56-H60 PolarHBondContact OD1-N 3.41Å; D56-N62 HydrophobicContact CB-CB 3.99Å
57Y93.3Very high95.7Very high240 Ų24063.5 Ų63.594%0.94133%0.333SS*.THydrogen-bonded Turntrans-62.7-17177.5-66.3-66.6000114.1G59Y57-G59 VanDerWaalsContact C-N 3.35Å
58L93.3Very high95.7Very high140 Ų14060.5 Ų60.573%0.73332%0.315SS*.THydrogen-bonded Turntrans-93.34.6177.1-57.8-179.8000112.1D56 H60D56-L58 PolarHBondContact O-N 3.25Å; D56-L58 VanDerWaalsContact O-N 3.15Å; D56-L58 VanDerWaalsContact OD1-CA 3.31Å; D56-L58 WeakPolarHBondContact OD1-CA 3.3Å; D56-L58 WeakPolarHBondContact OD1-CB 3.5Å; D56-L58 PolarHBondContact OD1-N 3.36Å; L58-H60 VanDerWaalsContact C-N 3.27Å; L58-H60 PolarHBondContact O-CE1 2.82Å; L58-H60 PolarHBondContact O-N 3.5Å; L58-H60 PolarHBondContact O-ND1 3.43Å
59G91.9Very high95.8Very high36 Ų3660.4 Ų60.437%0.37131%0.311SS..SBendtrans74.114.9176.300000114.3D56 Y57D56-G59 PolarHBondContact O-N 2.78Å; D56-G59 PolarHBondContact OD1-N 3.35Å; Y57-G59 VanDerWaalsContact C-N 3.35Å
60H94.9Very high95.8Very high75 Ų7555.9 Ų55.935%0.34729%0.289SS..BIsolated β-bridgetrans-112.7164.1176.2-60.192000110.4L55 D56 L58 N62L55-H60 CarbonylContact C-O 3.59Å; L55-H60 VanDerWaalsContact CA-O 3.29Å; L55-H60 WeakPolarHBondContact CA-O 3.49Å; D56-H60 PolarHBondContact N-O 3.14Å; D56-H60 PolarHBondContact OD1-N 3.41Å; L58-H60 VanDerWaalsContact C-N 3.27Å; L58-H60 PolarHBondContact O-CE1 2.82Å; L58-H60 PolarHBondContact O-N 3.5Å; L58-H60 PolarHBondContact O-ND1 3.43Å; H60-N62 PolarHBondContact O-N 3.15Å; H60-N62 VanDerWaalsContact O-N 3.12Å
61M97Very high95.8Very high2 Ų257.8 Ų57.81%0.0130%0.299CS..BIsolated β-bridgetrans-56.5121173.5-173.8174.9-175.900110.2V50 D54 R65 Y66 E69 L107 F113V50-M61 HydrophobicContact CG1-CB 4.07Å; V50-M61 HydrophobicContact CG2-CB 4.14Å; V50-M61 HydrophobicContact CG2-CG 4.5Å; V50-M61 HydrophobicContact CG2-SD 4.08Å; D54-M61 HydrophobicContact CB-CG 4.47Å; D54-M61 WeakPolarHBondContact O-CA 3.42Å; M61-R65 HydrophobicContact CE-CB 3.66Å; M61-R65 HydrophobicContact CG-CB 4.11Å; M61-Y66 HydrophobicContact CB-CE2 3.87Å; M61-Y66 HydrophobicContact CE-CD2 4.42Å; M61-Y66 HydrophobicContact CG-CD2 4.12Å; M61-Y66 HydrophobicContact CG-CE2 3.67Å; M61-Y66 HydrophobicContact SD-CD2 4.18Å; M61-Y66 HydrophobicContact SD-CE1 4.25Å; M61-Y66 HydrophobicContact SD-CE2 3.85Å; M61-E69 HydrophobicContact CE-CG 3.73Å; M61-L107 HydrophobicContact CB-CB 4.22Å; M61-L107 PolarHBondContact N-O 2.78Å; M61-L107 HydrophobicContact SD-CB 4.47Å; M61-L107 HydrophobicContact SD-CD1 3.97Å; M61-F113 HydrophobicContact CE-CZ 4.2Å; M61-F113 HydrophobicContact SD-CE1 4.29Å; M61-F113 HydrophobicContact SD-CZ 4.41Å
62N97.4Very high95.9Very high54 Ų5454.3 Ų54.329%0.28928%0.281SS..  trans-60.5136.1-179.7-177.8-55.5000110.4D54 D56 H60 S64 R65 Y66D54-N62 WeakPolarHBondContact O-CB 3.38Å; D54-N62 PolarHBondContact O-N 2.91Å; D56-N62 HydrophobicContact CB-CB 3.99Å; H60-N62 PolarHBondContact O-N 3.15Å; H60-N62 VanDerWaalsContact O-N 3.12Å; N62-S64 PolarHBondContact O-N 2.81Å; N62-S64 VanDerWaalsContact O-N 3.15Å; N62-S64 WeakPolarHBondContact OD1-CB 3.14Å; N62-S64 PolarHBondContact OD1-N 2.84Å; N62-S64 PolarHBondContact OD1-OG 3.11Å; N62-R65 HydrophobicContact CB-CG 3.95Å; N62-R65 WeakPolarHBondContact O-CA 3.22Å; N62-R65 VanDerWaalsContact O-CB 3.27Å; N62-R65 WeakPolarHBondContact O-CB 3Å; N62-R65 PolarHBondContact O-N 2.79Å; N62-Y66 WeakPolarHBondContact O-CD2 3.25Å
63N96.3Very high96Very high85 Ų8550 Ų5046%0.45525%0.253SS..Hα-helixtrans-50.8-41.4-179.8-65.1-23.9000113.4R65 Y66 Y103N63-R65 PolarHBondContact O-N 3.07Å; N63-Y66 WeakPolarHBondContact O-CB 3.33Å; N63-Y66 PolarHBondContact O-N 3.01Å; N63-Y103 HydrophobicContact CB-CE1 4.34Å; N63-Y103 HydrophobicContact CB-CE2 4.4Å; N63-Y103 PolarHBondContact O-OH 2.86Å; N63-Y103 VanDerWaalsContact O-OH 3.09Å
64S95.5Very high96.2Very high66 Ų6647.5 Ų47.546%0.46224%0.241SC..Hα-helixtrans-64-27.817866.10000113.2N62 Y66 L67 R68N62-S64 PolarHBondContact O-N 2.81Å; N62-S64 VanDerWaalsContact O-N 3.15Å; N62-S64 WeakPolarHBondContact OD1-CB 3.14Å; N62-S64 PolarHBondContact OD1-N 2.84Å; N62-S64 PolarHBondContact OD1-OG 3.11Å; S64-Y66 VanDerWaalsContact C-N 3.31Å; S64-Y66 PolarHBondContact O-N 3.26Å; S64-L67 PolarHBondContact O-N 3Å; S64-R68 PolarHBondContact O-N 3.33Å; S64-R68 VanDerWaalsContact O-N 3.15Å
65R96.3Very high96.2Very high53 Ų5349.6 Ų49.620%0.225%0.25CC..Hα-helixtrans-69.2-29.7177.9-65-69.7-168.9-144.97.6111.8H53 D54 M61 N62 N63 L67 R68 E69H53-R65 PolarHBondContact O-NE 3.02Å; H53-R65 PolarHBondContact O-NH2 3.13Å; D54-R65 HydrophobicContact CB-CG 4.14Å; D54-R65 WeakPolarHBondContact OD1-CD 3.48Å; D54-R65 IonicContact OD1-NE 3.45Å; D54-R65 PolarHBondContact OD1-NE 2.87Å; M61-R65 HydrophobicContact CE-CB 3.66Å; M61-R65 HydrophobicContact CG-CB 4.11Å; N62-R65 HydrophobicContact CB-CG 3.95Å; N62-R65 WeakPolarHBondContact O-CA 3.22Å; N62-R65 VanDerWaalsContact O-CB 3.27Å; N62-R65 WeakPolarHBondContact O-CB 3Å; N62-R65 PolarHBondContact O-N 2.79Å; N63-R65 PolarHBondContact O-N 3.07Å; R65-L67 PolarHBondContact O-N 3.43Å; R65-R68 PolarHBondContact O-N 3.04Å; R65-E69 WeakPolarHBondContact O-CG 3.14Å; R65-E69 PolarHBondContact O-N 3.2Å
66Y97.8Very high96.2Very high3 Ų347.5 Ų47.51%0.01224%0.239CC..Hα-helixtrans-61.1-45.7173.2-71.3-101.6000111.1M61 N62 N63 S64 R68 E69 C70 I101 Y103 L107 F133 A143M61-Y66 HydrophobicContact CB-CE2 3.87Å; M61-Y66 HydrophobicContact CE-CD2 4.42Å; M61-Y66 HydrophobicContact CG-CD2 4.12Å; M61-Y66 HydrophobicContact CG-CE2 3.67Å; M61-Y66 HydrophobicContact SD-CD2 4.18Å; M61-Y66 HydrophobicContact SD-CE1 4.25Å; M61-Y66 HydrophobicContact SD-CE2 3.85Å; N62-Y66 WeakPolarHBondContact O-CD2 3.25Å; N63-Y66 WeakPolarHBondContact O-CB 3.33Å; N63-Y66 PolarHBondContact O-N 3.01Å; S64-Y66 VanDerWaalsContact C-N 3.31Å; S64-Y66 PolarHBondContact O-N 3.26Å; Y66-R68 VanDerWaalsContact C-N 3.34Å; Y66-R68 PolarHBondContact O-N 2.69Å; Y66-E69 PolarHBondContact O-N 3.26Å; Y66-C70 PolarHBondContact O-N 2.82Å; Y66-C70 PolarHBondContact O-SG 3.35Å; Y66-I101 HydrophobicContact CG-CD1 4.33Å; Y66-Y103 HydrophobicContact CD1-CE1 4.28Å; Y66-Y103 HydrophobicContact CD2-CD1 4.33Å; Y66-Y103 AromaticContact CD2-CE1 3.71Å; Y66-Y103 HydrophobicContact CD2-CE1 3.71Å; Y66-Y103 HydrophobicContact CE2-CD1 4.37Å; Y66-Y103 HydrophobicContact CE2-CE1 4.17Å; Y66-Y103 HydrophobicContact CG-CD1 4.42Å; Y66-Y103 AromaticContact CG-CE1 3.76Å; Y66-Y103 HydrophobicContact CG-CE1 3.76Å; Y66-L107 HydrophobicContact CE1-CD1 3.94Å; Y66-L107 PolarHBondContact OH-N 3.05Å; Y66-F133 AromaticContact CD1-CD1 3.69Å; Y66-F133 HydrophobicContact CD1-CD1 3.69Å; Y66-F133 AromaticContact CD1-CD2 3.72Å; Y66-F133 HydrophobicContact CD1-CD2 3.72Å; Y66-F133 AromaticContact CD1-CE1 3.72Å; Y66-F133 HydrophobicContact CD1-CE1 3.72Å; Y66-F133 AromaticContact CD1-CE2 3.74Å; Y66-F133 HydrophobicContact CD1-CE2 3.74Å; Y66-F133 AromaticContact CD1-CG 3.7Å; Y66-F133 HydrophobicContact CD1-CG 3.7Å; Y66-F133 AromaticContact CD1-CZ 3.76Å; Y66-F133 HydrophobicContact CD1-CZ 3.76Å; Y66-F133 HydrophobicContact CE1-CB 4.36Å; Y66-F133 AromaticContact CE1-CD1 3.94Å; Y66-F133 HydrophobicContact CE1-CD1 3.94Å; Y66-F133 HydrophobicContact CE1-CD2 4.38Å; Y66-F133 HydrophobicContact CE1-CE1 4.35Å; Y66-F133 AromaticContact CE1-CG 3.97Å; Y66-F133 HydrophobicContact CE1-CG 3.97Å; Y66-F133 HydrophobicContact CG-CE1 4.4Å; Y66-F133 HydrophobicContact CG-CE2 4.42Å; Y66-F133 HydrophobicContact CG-CZ 4.25Å; Y66-F133 VanDerWaalsContact O-CZ 3.31Å; Y66-F133 WeakPolarHBondContact O-CZ 3.44Å; Y66-A143 HydrophobicContact CD1-CB 3.78Å; Y66-A143 HydrophobicContact CE1-CB 3.8Å
67L97.1Very high96.3Very high59 Ų5945.4 Ų45.431%0.30923%0.228SC..Hα-helixtrans-64.1-40.2177.8-64.5178000111.9S64 R65 C70 D71 I101 M145S64-L67 PolarHBondContact O-N 3Å; R65-L67 PolarHBondContact O-N 3.43Å; L67-C70 WeakPolarHBondContact O-CB 3.28Å; L67-C70 PolarHBondContact O-N 3.39Å; L67-D71 PolarHBondContact O-N 2.86Å; L67-D71 VanDerWaalsContact O-N 3.14Å; L67-I101 HydrophobicContact CD2-CB 4.37Å; L67-I101 HydrophobicContact CD2-CD1 4.32Å; L67-I101 HydrophobicContact CD2-CG2 4.18Å; L67-M145 HydrophobicContact CD2-CG 4.35Å; L67-M145 HydrophobicContact CD2-SD 3.65Å
68R96.9Very high96.4Very high20 Ų2034.6 Ų34.68%0.07519%0.185CC..Hα-helixtrans-61.4-47.7174.8-168.2-169.973.2178.8-5.1111.9Y20 D54 S64 R65 Y66 C70 D71 F72Y20-R68 HydrophobicContact CD2-CG 4.01Å; Y20-R68 HydrophobicContact CE2-CG 4.45Å; D54-R68 IonicContact OD1-CZ 3.83Å; D54-R68 IonicContact OD1-NH2 2.66Å; D54-R68 PolarHBondContact OD1-NH2 2.86Å; S64-R68 PolarHBondContact O-N 3.33Å; S64-R68 VanDerWaalsContact O-N 3.15Å; R65-R68 PolarHBondContact O-N 3.04Å; Y66-R68 VanDerWaalsContact C-N 3.34Å; Y66-R68 PolarHBondContact O-N 2.69Å; R68-C70 PolarHBondContact O-N 3.02Å; R68-D71 WeakPolarHBondContact O-CB 3.28Å; R68-D71 PolarHBondContact O-N 3.15Å; R68-D71 VanDerWaalsContact O-N 3.07Å; R68-F72 HydrophobicContact CG-CE2 3.77Å; R68-F72 HydrophobicContact CG-CZ 3.95Å; R68-F72 WeakPolarHBondContact O-CD2 3.33Å; R68-F72 PolarHBondContact O-N 3.41Å
69E97.7Very high96.5Very high11 Ų1128.9 Ų28.95%0.05116%0.155CC..Hα-helixtrans-66.7-28.9178.5-64.6-52.6126.400111.9R23 M61 R65 Y66 D71 F72 A73 F113 I115 F133R23-E69 IonicContact NE-OE2 3.93Å; R23-E69 IonicContact NH2-OE2 2.89Å; M61-E69 HydrophobicContact CE-CG 3.73Å; R65-E69 WeakPolarHBondContact O-CG 3.14Å; R65-E69 PolarHBondContact O-N 3.2Å; Y66-E69 PolarHBondContact O-N 3.26Å; E69-D71 VanDerWaalsContact C-N 3.35Å; E69-F72 PolarHBondContact O-N 3.41Å; E69-A73 WeakPolarHBondContact O-CB 3.36Å; E69-A73 PolarHBondContact O-N 3.25Å; E69-F113 HydrophobicContact CG-CZ 4.48Å; E69-I115 HydrophobicContact CB-CD1 3.58Å; E69-F133 HydrophobicContact CB-CE1 4.12Å; E69-F133 HydrophobicContact CB-CZ 4.15Å
70C98Very high96.6Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-63.4-35.9169.6-75.10000113Y66 L67 R68 A73 R74 Q131 F133 M145Y66-C70 PolarHBondContact O-N 2.82Å; Y66-C70 PolarHBondContact O-SG 3.35Å; L67-C70 WeakPolarHBondContact O-CB 3.28Å; L67-C70 PolarHBondContact O-N 3.39Å; R68-C70 PolarHBondContact O-N 3.02Å; C70-A73 PolarHBondContact O-N 3.47Å; C70-R74 WeakPolarHBondContact O-CG 3.23Å; C70-R74 PolarHBondContact O-N 3.1Å; C70-R74 PolarHBondContact O-NH1 2.92Å; C70-Q131 PolarHBondContact O-NE2 3.07Å; C70-F133 WeakPolarHBondContact SG-CE2 3.45Å; C70-M145 HydrophobicContact CB-CE 3.69Å; C70-M145 HydrophobicContact CB-SD 3.85Å
71D97.1Very high96.5Very high39 Ų3925.4 Ų25.421%0.20913%0.127CC..Hα-helixtrans-58.7-49.1172.6-76.7-51.4000111L67 R68 E69 A73 R74 F75L67-D71 PolarHBondContact O-N 2.86Å; L67-D71 VanDerWaalsContact O-N 3.14Å; R68-D71 WeakPolarHBondContact O-CB 3.28Å; R68-D71 PolarHBondContact O-N 3.15Å; R68-D71 VanDerWaalsContact O-N 3.07Å; E69-D71 VanDerWaalsContact C-N 3.35Å; D71-A73 PolarHBondContact O-N 2.87Å; D71-R74 VanDerWaalsContact CG-NH2 3.31Å; D71-R74 WeakPolarHBondContact O-CB 3.38Å; D71-R74 PolarHBondContact O-N 2.85Å; D71-R74 VanDerWaalsContact O-N 3.11Å; D71-R74 IonicContact OD1-CZ 3.79Å; D71-R74 IonicContact OD1-NE 3.94Å; D71-R74 IonicContact OD1-NH2 2.77Å; D71-R74 PolarHBondContact OD1-NH2 2.94Å; D71-F75 HydrophobicContact CB-CE2 4.4Å; D71-F75 HydrophobicContact CB-CZ 4.26Å; D71-F75 WeakPolarHBondContact O-CG 3.48Å; D71-F75 PolarHBondContact O-N 2.89Å
72F97.8Very high96.4Very high1 Ų125.8 Ų25.80%0.00413%0.132CC..Hα-helixtrans-61.8-44.6179.1-61.1-38.7000112.2Y20 R23 V27 R68 E69 R74 F75 H76Y20-F72 AromaticContact CD2-CE1 3.83Å; Y20-F72 HydrophobicContact CD2-CE1 3.83Å; Y20-F72 AromaticContact CD2-CZ 3.62Å; Y20-F72 HydrophobicContact CD2-CZ 3.62Å; Y20-F72 AromaticContact CE2-CE1 3.87Å; Y20-F72 HydrophobicContact CE2-CE1 3.87Å; Y20-F72 HydrophobicContact CE2-CZ 4.06Å; Y20-F72 HydrophobicContact CG-CZ 4.35Å; R23-F72 HydrophobicContact CB-CE1 4.11Å; R23-F72 HydrophobicContact CB-CE2 3.91Å; R23-F72 HydrophobicContact CB-CZ 3.7Å; R23-F72 HydrophobicContact CG-CD1 4.21Å; R23-F72 HydrophobicContact CG-CD2 3.52Å; R23-F72 HydrophobicContact CG-CE1 4.04Å; R23-F72 HydrophobicContact CG-CE2 3.31Å; R23-F72 HydrophobicContact CG-CG 3.99Å; R23-F72 HydrophobicContact CG-CZ 3.61Å; V27-F72 WeakPolarHBondContact CG1-O 3.25Å; V27-F72 HydrophobicContact CG2-CB 4.16Å; R68-F72 HydrophobicContact CG-CE2 3.77Å; R68-F72 HydrophobicContact CG-CZ 3.95Å; R68-F72 WeakPolarHBondContact O-CD2 3.33Å; R68-F72 PolarHBondContact O-N 3.41Å; E69-F72 PolarHBondContact O-N 3.41Å; F72-R74 VanDerWaalsContact C-N 3.25Å; F72-R74 PolarHBondContact O-N 3.39Å; F72-F75 HydrophobicContact CD1-CD2 4.13Å; F72-F75 HydrophobicContact CD1-CE2 4.26Å; F72-F75 PolarHBondContact O-N 2.74Å; F72-H76 WeakPolarHBondContact O-CB 3.26Å; F72-H76 PolarHBondContact O-N 2.84Å
73A97.6Very high96.3Very high2 Ų223.2 Ų23.22%0.01712%0.118CC..Hα-helixtrans-61.5-33.7175.500000112.4I46 E69 C70 D71 H77 I115 Q131I46-A73 HydrophobicContact CG2-CB 3.58Å; E69-A73 WeakPolarHBondContact O-CB 3.36Å; E69-A73 PolarHBondContact O-N 3.25Å; C70-A73 PolarHBondContact O-N 3.47Å; D71-A73 PolarHBondContact O-N 2.87Å; A73-H77 VanDerWaalsContact O-CB 3.28Å; A73-H77 WeakPolarHBondContact O-CB 3.27Å; A73-H77 PolarHBondContact O-N 2.85Å; A73-I115 HydrophobicContact CB-CB 4.08Å; A73-I115 HydrophobicContact CB-CD1 4.16Å; A73-I115 HydrophobicContact CB-CG2 3.7Å; A73-Q131 VanDerWaalsContact CB-NE2 3.35Å
74R96.9Very high96.2Very high10 Ų1021.6 Ų21.64%0.03811%0.107CC..Hα-helixtrans-69.6-43.1171.7-72.9-175.3-63.9-94.610.2112.6C70 D71 F72 H76 H77 Y78 L129 Q131 M145C70-R74 WeakPolarHBondContact O-CG 3.23Å; C70-R74 PolarHBondContact O-N 3.1Å; C70-R74 PolarHBondContact O-NH1 2.92Å; D71-R74 VanDerWaalsContact CG-NH2 3.31Å; D71-R74 WeakPolarHBondContact O-CB 3.38Å; D71-R74 PolarHBondContact O-N 2.85Å; D71-R74 VanDerWaalsContact O-N 3.11Å; D71-R74 IonicContact OD1-CZ 3.79Å; D71-R74 IonicContact OD1-NE 3.94Å; D71-R74 IonicContact OD1-NH2 2.77Å; D71-R74 PolarHBondContact OD1-NH2 2.94Å; F72-R74 VanDerWaalsContact C-N 3.25Å; F72-R74 PolarHBondContact O-N 3.39Å; R74-H76 VanDerWaalsContact C-N 3.31Å; R74-H76 PolarHBondContact O-N 2.83Å; R74-H77 PolarHBondContact O-N 3.09Å; R74-H77 VanDerWaalsContact O-N 3.16Å; R74-Y78 HydrophobicContact CB-CE2 4.14Å; R74-Y78 WeakPolarHBondContact O-CB 3.45Å; R74-Y78 WeakPolarHBondContact O-CD2 3.38Å; R74-Y78 PolarHBondContact O-N 2.89Å; R74-L129 HydrophobicContact CG-CD2 4.19Å; R74-Q131 VanDerWaalsContact CG-OE1 3.3Å; R74-M145 VanDerWaalsContact NH1-CE 3.26Å
75F96.1Very high96.2Very high47 Ų4722.8 Ų22.821%0.20611%0.107CC..Hα-helixtrans-58.5-46.5176.1-61.8-20.4000111.1V27 F28 D71 F72 H77 Y78 M79V27-F75 HydrophobicContact CG1-CB 4.23Å; F28-F75 HydrophobicContact CE1-CB 4.39Å; F28-F75 HydrophobicContact CE2-CB 4.24Å; F28-F75 AromaticContact CE2-CD2 3.97Å; F28-F75 HydrophobicContact CE2-CD2 3.97Å; F28-F75 HydrophobicContact CE2-CG 4.11Å; F28-F75 HydrophobicContact CZ-CB 3.95Å; F28-F75 HydrophobicContact CZ-CD1 4.37Å; F28-F75 HydrophobicContact CZ-CD2 4.28Å; F28-F75 AromaticContact CZ-CG 3.96Å; F28-F75 HydrophobicContact CZ-CG 3.96Å; D71-F75 HydrophobicContact CB-CE2 4.4Å; D71-F75 HydrophobicContact CB-CZ 4.26Å; D71-F75 WeakPolarHBondContact O-CG 3.48Å; D71-F75 PolarHBondContact O-N 2.89Å; F72-F75 HydrophobicContact CD1-CD2 4.13Å; F72-F75 HydrophobicContact CD1-CE2 4.26Å; F72-F75 PolarHBondContact O-N 2.74Å; F75-H77 PolarHBondContact O-N 3.43Å; F75-Y78 PolarHBondContact O-N 3.48Å; F75-M79 WeakPolarHBondContact O-CB 3.33Å; F75-M79 VanDerWaalsContact O-CG 3.26Å; F75-M79 WeakPolarHBondContact O-CG 3.48Å; F75-M79 PolarHBondContact O-N 3.21Å
76H96.5Very high96.2Very high10 Ų1020.3 Ų20.35%0.04610%0.098CC..Hα-helixtrans-56.6-49.7173.3-176.9-93.8000111.3V27 L34 I46 F72 R74 Y78 M79 R80V27-H76 HydrophobicContact CG1-CB 3.68Å; L34-H76 WeakPolarHBondContact CD1-NE2 3.37Å; I46-H76 HydrophobicContact CD1-CB 4.27Å; F72-H76 WeakPolarHBondContact O-CB 3.26Å; F72-H76 PolarHBondContact O-N 2.84Å; R74-H76 VanDerWaalsContact C-N 3.31Å; R74-H76 PolarHBondContact O-N 2.83Å; H76-Y78 PolarHBondContact O-N 3.28Å; H76-M79 PolarHBondContact O-N 3.21Å; H76-R80 WeakPolarHBondContact CE1-CD 3.5Å; H76-R80 WeakPolarHBondContact NE2-CD 3.3Å; H76-R80 WeakPolarHBondContact O-CB 3.4Å; H76-R80 WeakPolarHBondContact O-CG 3.49Å; H76-R80 PolarHBondContact O-N 3.47Å
77H96.4Very high96.1Very high1 Ų120.6 Ų20.61%0.00510%0.1CC..Hα-helixtrans-59.4-47.2-179.8-174.2-78000112.7Q44 A73 R74 F75 R80 N81 T117Q44-H77 VanDerWaalsContact CD-CD2 3.4Å; Q44-H77 PolarHBondContact NE2-CD2 3.44Å; A73-H77 VanDerWaalsContact O-CB 3.28Å; A73-H77 WeakPolarHBondContact O-CB 3.27Å; A73-H77 PolarHBondContact O-N 2.85Å; R74-H77 PolarHBondContact O-N 3.09Å; R74-H77 VanDerWaalsContact O-N 3.16Å; F75-H77 PolarHBondContact O-N 3.43Å; H77-R80 PolarHBondContact O-N 2.82Å; H77-N81 PolarHBondContact CE1-ND2 3.33Å; H77-N81 PolarHBondContact ND1-ND2 2.98Å; H77-N81 VanDerWaalsContact ND1-ND2 3.15Å; H77-N81 PolarHBondContact O-N 3.22Å; H77-N81 PolarHBondContact O-OD1 3.19Å; H77-N81 VanDerWaalsContact O-OD1 3.13Å; H77-T117 HydrophobicContact CB-CG2 4.07Å
78Y95.5Very high96Very high12 Ų1226.3 Ų26.35%0.04712%0.118CC..Hα-helixtrans-69.4-33.5-179-63.3-18.4000113.6R74 F75 H76 N81 G82 L83 F84 M94 L129 Q149R74-Y78 HydrophobicContact CB-CE2 4.14Å; R74-Y78 WeakPolarHBondContact O-CB 3.45Å; R74-Y78 WeakPolarHBondContact O-CD2 3.38Å; R74-Y78 PolarHBondContact O-N 2.89Å; F75-Y78 PolarHBondContact O-N 3.48Å; H76-Y78 PolarHBondContact O-N 3.28Å; Y78-N81 VanDerWaalsContact CA-OD1 3.25Å; Y78-N81 WeakPolarHBondContact CA-OD1 3.41Å; Y78-N81 PolarHBondContact O-OD1 3.32Å; Y78-G82 CarbonylContact O-C 3.58Å; Y78-G82 PolarHBondContact O-N 3.39Å; Y78-L83 HydrophobicContact CD1-CB 4.3Å; Y78-L83 HydrophobicContact CD1-CD1 3.86Å; Y78-L83 HydrophobicContact CE1-CD1 4.13Å; Y78-L83 HydrophobicContact CG-CB 4.46Å; Y78-L83 PolarHBondContact O-N 3.15Å; Y78-L83 VanDerWaalsContact O-N 3.07Å; Y78-F84 PolarHBondContact O-N 2.78Å; Y78-M94 HydrophobicContact CD1-SD 4.45Å; Y78-M94 HydrophobicContact CD2-SD 3.75Å; Y78-M94 HydrophobicContact CE1-SD 4.15Å; Y78-M94 HydrophobicContact CE2-CB 4.42Å; Y78-M94 HydrophobicContact CE2-SD 3.38Å; Y78-M94 WeakPolarHBondContact CE2-SD 3.46Å; Y78-M94 HydrophobicContact CG-SD 4.26Å; Y78-M94 VanDerWaalsContact CZ-SD 3.6Å; Y78-L129 HydrophobicContact CE1-CD2 3.97Å; Y78-Q149 VanDerWaalsContact OH-CG 3.29Å; Y78-Q149 WeakPolarHBondContact OH-CG 3.48Å
79M95.2Very high96Very high21 Ų2133.3 Ų33.310%0.10315%0.148CC..Hα-helixtrans-64.9-50.1172.1-79.8-65-66.600110.5F28 A31 W32 F75 H76 N81 G82 F84F28-M79 HydrophobicContact CD1-CE 4.2Å; F28-M79 HydrophobicContact CD1-CG 3.43Å; F28-M79 VanDerWaalsContact CD1-CG 3.43Å; F28-M79 HydrophobicContact CD1-SD 3.55Å; F28-M79 VanDerWaalsContact CD1-SD 3.55Å; F28-M79 HydrophobicContact CE1-CG 3.6Å; F28-M79 HydrophobicContact CE1-SD 3.77Å; A31-M79 HydrophobicContact CB-CB 3.54Å; A31-M79 HydrophobicContact CB-CG 4.2Å; W32-M79 HydrophobicContact CD2-CE 4.45Å; W32-M79 HydrophobicContact CE3-CE 3.55Å; W32-M79 HydrophobicContact CZ3-CE 4.14Å; F75-M79 WeakPolarHBondContact O-CB 3.33Å; F75-M79 VanDerWaalsContact O-CG 3.26Å; F75-M79 WeakPolarHBondContact O-CG 3.48Å; F75-M79 PolarHBondContact O-N 3.21Å; H76-M79 PolarHBondContact O-N 3.21Å; M79-N81 PolarHBondContact O-N 3.27Å; M79-G82 PolarHBondContact O-N 3.2Å; M79-F84 HydrophobicContact CG-CB 4.35Å; M79-F84 HydrophobicContact CG-CG 4.4Å; M79-F84 HydrophobicContact SD-CB 3.86Å; M79-F84 HydrophobicContact SD-CD1 3.2Å; M79-F84 WeakPolarHBondContact SD-CD1 3.33Å; M79-F84 HydrophobicContact SD-CD2 4.5Å; M79-F84 HydrophobicContact SD-CE1 3.76Å; M79-F84 HydrophobicContact SD-CG 3.61Å
80R94.8Very high96Very high37 Ų3735.6 Ų35.614%0.1416%0.161CC..Hα-helixtrans-72.3-24.9-174.4-70.1-165.569.9-167.5-2.3114.2A31 P35 R36 I37 H76 H77A31-R80 HydrophobicContact CB-CG 4.05Å; P35-R80 PolarHBondContact O-NE 2.74Å; P35-R80 VanDerWaalsContact O-NE 3.11Å; P35-R80 PolarHBondContact O-NH2 2.96Å; R36-R80 CarbonylContact C-O 3.53Å; R36-R80 WeakPolarHBondContact CA-O 3.49Å; R36-R80 WeakPolarHBondContact CG-O 3.42Å; I37-R80 PolarHBondContact N-O 2.87Å; H76-R80 WeakPolarHBondContact CE1-CD 3.5Å; H76-R80 WeakPolarHBondContact NE2-CD 3.3Å; H76-R80 WeakPolarHBondContact O-CB 3.4Å; H76-R80 WeakPolarHBondContact O-CG 3.49Å; H76-R80 PolarHBondContact O-N 3.47Å; H77-R80 PolarHBondContact O-N 2.82Å
81N93.7Very high95.9Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-95.6-9.3175.672.35.1000113.7R36 I37 H77 Y78 M79 L83 T163 Y164R36-N81 PolarHBondContact NE-O 3.09Å; R36-N81 PolarHBondContact NH2-O 3.49Å; I37-N81 WeakPolarHBondContact O-CA 3.49Å; H77-N81 PolarHBondContact CE1-ND2 3.33Å; H77-N81 PolarHBondContact ND1-ND2 2.98Å; H77-N81 VanDerWaalsContact ND1-ND2 3.15Å; H77-N81 PolarHBondContact O-N 3.22Å; H77-N81 PolarHBondContact O-OD1 3.19Å; H77-N81 VanDerWaalsContact O-OD1 3.13Å; Y78-N81 VanDerWaalsContact CA-OD1 3.25Å; Y78-N81 WeakPolarHBondContact CA-OD1 3.41Å; Y78-N81 PolarHBondContact O-OD1 3.32Å; M79-N81 PolarHBondContact O-N 3.27Å; N81-L83 WeakPolarHBondContact ND2-CD1 3.49Å; N81-L83 VanDerWaalsContact OD1-CB 3.28Å; N81-L83 WeakPolarHBondContact OD1-CB 3.41Å; N81-L83 WeakPolarHBondContact OD1-CG 3.22Å; N81-L83 PolarHBondContact OD1-N 2.73Å; N81-T163 VanDerWaalsContact O-CG2 3.28Å; N81-T163 WeakPolarHBondContact O-CG2 3.41Å; N81-Y164 PolarHBondContact O-OH 2.66Å
82G93.8Very high95.9Very high10 Ų1036.6 Ų36.610%0.10318%0.18CC..SBendtrans91.2-3.5177.700000114.7Y78 M79 F84 M85 A86Y78-G82 CarbonylContact O-C 3.58Å; Y78-G82 PolarHBondContact O-N 3.39Å; M79-G82 PolarHBondContact O-N 3.2Å; G82-F84 PolarHBondContact O-N 2.97Å; G82-M85 PolarHBondContact O-N 3.47Å; G82-A86 PolarHBondContact O-N 3.36Å
83L95.4Very high95.8Very high0 Ų043.5 Ų43.50%021%0.21CC..Hα-helixtrans-59.3-34177.5-66.7179.2000112.1I40 Y78 N81 S87 M94 F127 I159 M160 T163I40-L83 HydrophobicContact CD1-CD1 3.87Å; I40-L83 HydrophobicContact CD1-CD2 4.21Å; I40-L83 HydrophobicContact CD1-CG 4.47Å; I40-L83 HydrophobicContact CG1-CD1 4.48Å; Y78-L83 HydrophobicContact CD1-CB 4.3Å; Y78-L83 HydrophobicContact CD1-CD1 3.86Å; Y78-L83 HydrophobicContact CE1-CD1 4.13Å; Y78-L83 HydrophobicContact CG-CB 4.46Å; Y78-L83 PolarHBondContact O-N 3.15Å; Y78-L83 VanDerWaalsContact O-N 3.07Å; N81-L83 WeakPolarHBondContact ND2-CD1 3.49Å; N81-L83 VanDerWaalsContact OD1-CB 3.28Å; N81-L83 WeakPolarHBondContact OD1-CB 3.41Å; N81-L83 WeakPolarHBondContact OD1-CG 3.22Å; N81-L83 PolarHBondContact OD1-N 2.73Å; L83-S87 VanDerWaalsContact O-CB 3.25Å; L83-S87 WeakPolarHBondContact O-CB 3.28Å; L83-S87 PolarHBondContact O-N 3.16Å; L83-S87 PolarHBondContact O-OG 3.44Å; L83-M94 HydrophobicContact CB-CE 4.11Å; L83-M94 HydrophobicContact CD1-CE 4.28Å; L83-F127 HydrophobicContact CD2-CZ 4.31Å; L83-I159 HydrophobicContact CB-CG2 4.46Å; L83-I159 HydrophobicContact CD2-CG2 3.47Å; L83-I159 VanDerWaalsContact CD2-CG2 3.47Å; L83-M160 HydrophobicContact CD2-SD 4.13Å; L83-T163 HydrophobicContact CD2-CG2 4.44Å
84F95.1Very high95.7Very high51 Ų5145.3 Ų45.322%0.22422%0.218CC..Hα-helixtrans-62.2-48.6177.4178.1-99.8000111.6F28 Y78 M79 G82 S87 R88F28-F84 HydrophobicContact CD1-CZ 4.39Å; F28-F84 HydrophobicContact CE1-CD1 4.37Å; F28-F84 AromaticContact CE1-CD2 3.82Å; F28-F84 HydrophobicContact CE1-CD2 3.82Å; F28-F84 HydrophobicContact CE1-CE1 4.08Å; F28-F84 AromaticContact CE1-CE2 3.52Å; F28-F84 HydrophobicContact CE1-CE2 3.52Å; F28-F84 HydrophobicContact CE1-CG 4.22Å; F28-F84 AromaticContact CE1-CZ 3.63Å; F28-F84 HydrophobicContact CE1-CZ 3.63Å; F28-F84 HydrophobicContact CZ-CD2 4.26Å; F28-F84 AromaticContact CZ-CE2 3.74Å; F28-F84 HydrophobicContact CZ-CE2 3.74Å; F28-F84 HydrophobicContact CZ-CZ 4.1Å; Y78-F84 PolarHBondContact O-N 2.78Å; M79-F84 HydrophobicContact CG-CB 4.35Å; M79-F84 HydrophobicContact CG-CG 4.4Å; M79-F84 HydrophobicContact SD-CB 3.86Å; M79-F84 HydrophobicContact SD-CD1 3.2Å; M79-F84 WeakPolarHBondContact SD-CD1 3.33Å; M79-F84 HydrophobicContact SD-CD2 4.5Å; M79-F84 HydrophobicContact SD-CE1 3.76Å; M79-F84 HydrophobicContact SD-CG 3.61Å; G82-F84 PolarHBondContact O-N 2.97Å; F84-S87 PolarHBondContact O-N 3.39Å; F84-R88 HydrophobicContact CE1-CG 4.38Å; F84-R88 HydrophobicContact CZ-CG 4.35Å; F84-R88 WeakPolarHBondContact O-CG 3.45Å; F84-R88 PolarHBondContact O-N 2.83Å
85M94.4Very high95.6Very high91 Ų9147.8 Ų47.845%0.44824%0.235SC..Hα-helixtrans-68.1-41.5-178.8-68.2-61.4-113.700111.4W32 G82 R88 K89W32-M85 HydrophobicContact CH2-CE 3.83Å; W32-M85 HydrophobicContact CZ3-CE 4.11Å; G82-M85 PolarHBondContact O-N 3.47Å; M85-R88 PolarHBondContact O-N 2.79Å; M85-K89 WeakPolarHBondContact O-CG 3.43Å; M85-K89 PolarHBondContact O-N 3.1Å
86A95.6Very high95.7Very high2 Ų248.9 Ų48.92%0.01725%0.245CC..Hα-helixtrans-60.9-46.5174.500000111.8G82 R88 K89 L90 I159 F162 T163G82-A86 PolarHBondContact O-N 3.36Å; A86-R88 VanDerWaalsContact C-N 3.34Å; A86-R88 PolarHBondContact O-N 3Å; A86-K89 PolarHBondContact O-N 2.95Å; A86-K89 VanDerWaalsContact O-N 3.15Å; A86-L90 WeakPolarHBondContact O-CB 3.29Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 2.95Å; A86-I159 HydrophobicContact CB-CG2 3.92Å; A86-F162 HydrophobicContact CB-CB 4.49Å; A86-F162 HydrophobicContact CB-CD1 3.51Å; A86-F162 HydrophobicContact CB-CE1 4.17Å; A86-F162 HydrophobicContact CB-CG 4.35Å; A86-T163 WeakPolarHBondContact CB-OG1 3.39Å
87S96.5Very high95.7Very high8 Ų850.3 Ų50.36%0.05626%0.262CS..Hα-helixtrans-58.5-46.1177.5-59.40000111.4L83 F84 K89 L90 G91 A92L83-S87 VanDerWaalsContact O-CB 3.25Å; L83-S87 WeakPolarHBondContact O-CB 3.28Å; L83-S87 PolarHBondContact O-N 3.16Å; L83-S87 PolarHBondContact O-OG 3.44Å; F84-S87 PolarHBondContact O-N 3.39Å; S87-K89 VanDerWaalsContact C-N 3.34Å; S87-K89 PolarHBondContact O-N 3.19Å; S87-L90 PolarHBondContact O-N 3.07Å; S87-G91 PolarHBondContact O-N 3.46Å; S87-G91 VanDerWaalsContact O-N 3.1Å; S87-A92 PolarHBondContact O-N 2.88Å
88R95.9Very high95.7Very high180 Ų18051.3 Ų51.368%0.67927%0.27SS*.Hα-helixtrans-62-39.4176.8-70.8-167.578169.76.3112.9F84 M85 A86 G91F84-R88 HydrophobicContact CE1-CG 4.38Å; F84-R88 HydrophobicContact CZ-CG 4.35Å; F84-R88 WeakPolarHBondContact O-CG 3.45Å; F84-R88 PolarHBondContact O-N 2.83Å; M85-R88 PolarHBondContact O-N 2.79Å; A86-R88 VanDerWaalsContact C-N 3.34Å; A86-R88 PolarHBondContact O-N 3Å; R88-G91 PolarHBondContact O-N 3.42Å
89K96.9Very high95.8Very high166 Ų16653.2 Ų53.272%0.72229%0.286SS*.Hα-helixtrans-70.8-34.9179.5-73.4-66.6-176.4-179.20112.8M85 A86 S87 G91 F162M85-K89 WeakPolarHBondContact O-CG 3.43Å; M85-K89 PolarHBondContact O-N 3.1Å; A86-K89 PolarHBondContact O-N 2.95Å; A86-K89 VanDerWaalsContact O-N 3.15Å; S87-K89 VanDerWaalsContact C-N 3.34Å; S87-K89 PolarHBondContact O-N 3.19Å; K89-G91 VanDerWaalsContact C-N 3.3Å; K89-F162 HydrophobicContact CB-CE1 4.15Å; K89-F162 HydrophobicContact CB-CE2 4.37Å; K89-F162 HydrophobicContact CB-CZ 3.79Å; K89-F162 HydrophobicContact CG-CE1 4.35Å; K89-F162 HydrophobicContact CG-CZ 4.03Å
90L96.6Very high96Very high59 Ų5955.1 Ų55.131%0.30930%0.298SS..THydrogen-bonded Turntrans-85.60.4178.2-64.6172.2000113.3A86 S87 A92 S158 I159 F162A86-L90 WeakPolarHBondContact O-CB 3.29Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 2.95Å; S87-L90 PolarHBondContact O-N 3.07Å; L90-A92 HydrophobicContact CB-CB 4.46Å; L90-A92 PolarHBondContact O-N 3.47Å; L90-S158 WeakPolarHBondContact CD1-O 3.26Å; L90-I159 HydrophobicContact CD1-CB 4.42Å; L90-I159 HydrophobicContact CD1-CG1 3.92Å; L90-F162 HydrophobicContact CD1-CB 3.97Å; L90-F162 HydrophobicContact CD1-CG 4.36Å; L90-F162 HydrophobicContact CD2-CD2 4.18Å; L90-F162 HydrophobicContact CG-CD2 4.47Å; L90-F162 HydrophobicContact CG-CG 4.46Å
91G96.3Very high96.1Very high53 Ų5354.9 Ų54.955%0.54630%0.3SS..THydrogen-bonded Turntrans66.816.2-174.200000113.6S87 R88 K89S87-G91 PolarHBondContact O-N 3.46Å; S87-G91 VanDerWaalsContact O-N 3.1Å; R88-G91 PolarHBondContact O-N 3.42Å; K89-G91 VanDerWaalsContact C-N 3.3Å
92A96.8Very high96.3Very high8 Ų861.9 Ų61.97%0.06633%0.326CS..  trans-81.8144.1-178.500000111.5S87 L90 V151 V152 I159S87-A92 PolarHBondContact O-N 2.88Å; L90-A92 HydrophobicContact CB-CB 4.46Å; L90-A92 PolarHBondContact O-N 3.47Å; A92-V151 HydrophobicContact CB-CG1 4Å; A92-V152 CarbonylContact C-O 3.57Å; A92-V152 WeakPolarHBondContact CA-O 3.43Å; A92-I159 HydrophobicContact CB-CD1 3.9Å; A92-I159 HydrophobicContact CB-CG1 4.34Å
93K95.4Very high96.5Very high146 Ų14665.7 Ų65.764%0.63534%0.338SS*.EExtended strand (participates in β ladder)trans-118.4128.2172.9-62.8179-177176.40109.3V95 V151 V152K93-V95 HydrophobicContact CB-CG1 4.46Å; K93-V151 WeakPolarHBondContact O-CA 3.41Å; K93-V152 HydrophobicContact CB-CB 4.49Å; K93-V152 PolarHBondContact N-O 3.27Å; K93-V152 PolarHBondContact O-N 2.97Å
94M95Very high96.6Very high40 Ų4071.4 Ų71.420%0.19736%0.359CS..EExtended strand (participates in β ladder)trans-91.2118.8170.6-67.8-176.6168.300109Y78 L83 F127 N150 I159Y78-M94 HydrophobicContact CD1-SD 4.45Å; Y78-M94 HydrophobicContact CD2-SD 3.75Å; Y78-M94 HydrophobicContact CE1-SD 4.15Å; Y78-M94 HydrophobicContact CE2-CB 4.42Å; Y78-M94 HydrophobicContact CE2-SD 3.38Å; Y78-M94 WeakPolarHBondContact CE2-SD 3.46Å; Y78-M94 HydrophobicContact CG-SD 4.26Å; Y78-M94 VanDerWaalsContact CZ-SD 3.6Å; L83-M94 HydrophobicContact CB-CE 4.11Å; L83-M94 HydrophobicContact CD1-CE 4.28Å; M94-F127 HydrophobicContact CE-CD2 3.68Å; M94-F127 HydrophobicContact CE-CE2 3.45Å; M94-F127 VanDerWaalsContact CE-CE2 3.45Å; M94-F127 HydrophobicContact CE-CZ 4.37Å; M94-N150 WeakPolarHBondContact CA-O 3.37Å; M94-I159 HydrophobicContact CE-CD1 3.95Å; M94-I159 HydrophobicContact CE-CG2 4.45Å
95V96.2Very high96.7Very high62 Ų6272.9 Ų72.938%0.37636%0.364SS..EExtended strand (participates in β ladder)trans-126.3138.5-178.4-59.60000110.4K93 G97 Q149 N150 V152K93-V95 HydrophobicContact CB-CG1 4.46Å; V95-G97 PolarHBondContact O-N 3.04Å; V95-G97 VanDerWaalsContact O-N 3.1Å; V95-Q149 CarbonylContact O-C 3.6Å; V95-Q149 WeakPolarHBondContact O-CA 3.48Å; V95-N150 HydrophobicContact CG2-CB 3.86Å; V95-N150 PolarHBondContact N-O 3.4Å; V95-N150 PolarHBondContact O-N 3.17Å; V95-V152 HydrophobicContact CG2-CG2 3.86Å
96V97.4Very high96.8Very high70 Ų7071.7 Ų71.742%0.42436%0.364SS..EExtended strand (participates in β ladder)trans-64.6114.1176-179.50000108.5
97G96.6Very high96.9Very high39 Ų3971.6 Ų71.640%0.40236%0.363SS..EExtended strand (participates in β ladder)trans-93.2-31.7175.400000113.1V95 R148 N150V95-G97 PolarHBondContact O-N 3.04Å; V95-G97 VanDerWaalsContact O-N 3.1Å; G97-R148 PolarHBondContact N-O 3.15Å; G97-N150 WeakPolarHBondContact CA-ND2 3.47Å
98A97.6Very high96.9Very high22 Ų2273.1 Ų73.118%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-156.9149.8173.500000109.9C147 R148 W180 I184A98-C147 WeakPolarHBondContact O-CA 3.33Å; A98-R148 HydrophobicContact CB-CB 4.16Å; A98-R148 PolarHBondContact N-O 3.14Å; A98-R148 PolarHBondContact O-N 3.32Å; A98-W180 HydrophobicContact CB-CH2 4.05Å; A98-W180 HydrophobicContact CB-CZ2 4.02Å; A98-I184 HydrophobicContact CB-CB 4.5Å; A98-I184 HydrophobicContact CB-CD1 4.23Å; A98-I184 HydrophobicContact CB-CG2 4.03Å
99S97.6Very high96.9Very high53 Ų5369.6 Ų69.637%0.37137%0.366SS..EExtended strand (participates in β ladder)trans-144144.4166.865.80000110.3L146S99-L146 CarbonylContact C-O 3.53Å; S99-L146 VanDerWaalsContact CA-O 3.27Å; S99-L146 WeakPolarHBondContact CA-O 3.49Å
100T97.9Very high96.9Very high60 Ų6070.3 Ų70.337%0.36836%0.364SS..EExtended strand (participates in β ladder)trans-134.2128.4170.1-59.10000107.7M145 L146 W180T100-M145 CarbonylContact O-C 3.59Å; T100-M145 VanDerWaalsContact O-CA 3.3Å; T100-M145 WeakPolarHBondContact O-CA 3.41Å; T100-L146 PolarHBondContact N-O 3.36Å; T100-L146 PolarHBondContact O-N 3.36Å; T100-W180 VanDerWaalsContact CB-NE1 3.3Å; T100-W180 PolarHBondContact OG1-NE1 3.44Å
101I98.1Very high96.9Very high33 Ų3368.8 Ų68.817%0.16936%0.356CS..EExtended strand (participates in β ladder)trans-121.7133.9-178.9-174.5163.7000109.8Y66 L67 Y103 A143 V144 M145Y66-I101 HydrophobicContact CG-CD1 4.33Å; L67-I101 HydrophobicContact CD2-CB 4.37Å; L67-I101 HydrophobicContact CD2-CD1 4.32Å; L67-I101 HydrophobicContact CD2-CG2 4.18Å; I101-Y103 HydrophobicContact CD1-CD1 4.42Å; I101-Y103 HydrophobicContact CD1-CE1 3.64Å; I101-Y103 HydrophobicContact CG1-CD1 4.45Å; I101-Y103 HydrophobicContact CG1-CE1 3.97Å; I101-Y103 HydrophobicContact CG1-CE2 4.3Å; I101-Y103 HydrophobicContact CG2-CE1 4.49Å; I101-Y103 HydrophobicContact CG2-CE2 3.65Å; I101-Y103 VanDerWaalsContact CG2-OH 3.29Å; I101-Y103 WeakPolarHBondContact CG2-OH 3.34Å; I101-A143 HydrophobicContact CD1-CB 4.42Å; I101-V144 CarbonylContact C-O 3.52Å; I101-V144 WeakPolarHBondContact CA-O 3.43Å; I101-M145 HydrophobicContact CB-CB 4.15Å; I101-M145 HydrophobicContact CB-CG 4.09Å; I101-M145 HydrophobicContact CD1-CB 4.24Å; I101-M145 HydrophobicContact CG1-CB 4.12Å
102R97.9Very high97Very high147 Ų14767.8 Ų67.856%0.55534%0.343SS*.EExtended strand (participates in β ladder)trans-111.9118.4174.1-177.9170.261.8138.3-6.1109.2A143 V144R102-A143 VanDerWaalsContact O-CA 3.27Å; R102-A143 WeakPolarHBondContact O-CA 3.36Å; R102-V144 PolarHBondContact N-O 3.34Å; R102-V144 PolarHBondContact O-N 2.97Å
103Y97.9Very high97.1Very high90 Ų9067.5 Ų67.535%0.35334%0.34SS..EExtended strand (participates in β ladder)trans-89.6130175-54.1-81.8000109.6N63 Y66 I101 A143N63-Y103 HydrophobicContact CB-CE1 4.34Å; N63-Y103 HydrophobicContact CB-CE2 4.4Å; N63-Y103 PolarHBondContact O-OH 2.86Å; N63-Y103 VanDerWaalsContact O-OH 3.09Å; Y66-Y103 HydrophobicContact CD1-CE1 4.28Å; Y66-Y103 HydrophobicContact CD2-CD1 4.33Å; Y66-Y103 AromaticContact CD2-CE1 3.71Å; Y66-Y103 HydrophobicContact CD2-CE1 3.71Å; Y66-Y103 HydrophobicContact CE2-CD1 4.37Å; Y66-Y103 HydrophobicContact CE2-CE1 4.17Å; Y66-Y103 HydrophobicContact CG-CD1 4.42Å; Y66-Y103 AromaticContact CG-CE1 3.76Å; Y66-Y103 HydrophobicContact CG-CE1 3.76Å; I101-Y103 HydrophobicContact CD1-CD1 4.42Å; I101-Y103 HydrophobicContact CD1-CE1 3.64Å; I101-Y103 HydrophobicContact CG1-CD1 4.45Å; I101-Y103 HydrophobicContact CG1-CE1 3.97Å; I101-Y103 HydrophobicContact CG1-CE2 4.3Å; I101-Y103 HydrophobicContact CG2-CE1 4.49Å; I101-Y103 HydrophobicContact CG2-CE2 3.65Å; I101-Y103 VanDerWaalsContact CG2-OH 3.29Å; I101-Y103 WeakPolarHBondContact CG2-OH 3.34Å; Y103-A143 HydrophobicContact CD1-CB 4.12Å
104R97.4Very high97.2Very high119 Ų11962.3 Ų62.345%0.44932%0.318SS..  trans-111.8-45.2180-61.2179.864.5-131.77.5111.2F140 V141 S142R104-F140 HydrophobicContact CB-CE1 3.85Å; R104-F140 HydrophobicContact CB-CZ 4.11Å; R104-F140 VanDerWaalsContact CZ-CZ 3.44Å; R104-F140 VanDerWaalsContact NH1-CZ 3.34Å; R104-V141 WeakPolarHBondContact CD-O 3.45Å; R104-V141 PolarHBondContact NH1-O 3Å; R104-S142 WeakPolarHBondContact CA-O 3.38Å; R104-S142 WeakPolarHBondContact CB-O 3.38Å; R104-S142 PolarHBondContact N-O 3.36Å
105R96.9Very high97.4Very high83 Ų8360.5 Ų60.531%0.31331%0.309SS..SBendtrans-146.7133.6177.6-170.8172.370.7-172.78.7110.4D138 F140 S142R105-D138 IonicContact CZ-OD1 2.58Å; R105-D138 IonicContact CZ-OD2 2.86Å; R105-D138 IonicContact NH1-OD1 3.22Å; R105-D138 IonicContact NH1-OD2 4Å; R105-D138 PolarHBondContact NH1-OD2 3.09Å; R105-D138 IonicContact NH2-OD1 3.88Å; R105-D138 PolarHBondContact NH2-OD1 3.22Å; R105-D138 IonicContact NH2-OD2 2.71Å; R105-D138 PolarHBondContact NH2-OD2 2.89Å; R105-F140 HydrophobicContact CB-CD1 3.9Å; R105-F140 HydrophobicContact CB-CE1 3.47Å; R105-F140 VanDerWaalsContact CB-CE1 3.47Å; R105-F140 HydrophobicContact CB-CZ 4.37Å; R105-F140 VanDerWaalsContact NH2-CB 3.27Å; R105-S142 PolarHBondContact N-O 2.77Å; R105-S142 WeakPolarHBondContact O-CB 3.2Å
106S96.5Very high97.5Very high65 Ų6561.9 Ų61.946%0.45531%0.307SS..PPolyproline II helixtrans-66.9139.8176.6-56.40000111.3
107L97.4Very high97.6Very high0 Ų058.6 Ų58.60%029%0.288CS..PPolyproline II helixtrans-87.1129.1168.3-64.2168.9000109.1V50 M61 Y66 E111 F113 F133 S142V50-L107 HydrophobicContact CG2-CB 3.66Å; M61-L107 HydrophobicContact CB-CB 4.22Å; M61-L107 PolarHBondContact N-O 2.78Å; M61-L107 HydrophobicContact SD-CB 4.47Å; M61-L107 HydrophobicContact SD-CD1 3.97Å; Y66-L107 HydrophobicContact CE1-CD1 3.94Å; Y66-L107 PolarHBondContact OH-N 3.05Å; L107-E111 HydrophobicContact CD2-CG 4.11Å; L107-E111 WeakPolarHBondContact CD2-OE1 3.19Å; L107-F113 HydrophobicContact CD1-CB 3.95Å; L107-F113 HydrophobicContact CD1-CD1 3.68Å; L107-F113 HydrophobicContact CD1-CD2 4.35Å; L107-F113 HydrophobicContact CD1-CE1 4.23Å; L107-F113 HydrophobicContact CD1-CG 3.74Å; L107-F113 HydrophobicContact CD2-CB 4.21Å; L107-F133 HydrophobicContact CD1-CD1 4.25Å; L107-S142 WeakPolarHBondContact CD2-OG 3.45Å
108A96.3Very high97.6Very high41 Ų4160.7 Ų60.734%0.33929%0.285SS..BIsolated β-bridgetrans-88.3167.4-178.200000112.4V50 R110 E111V50-A108 VanDerWaalsContact CB-O 3.26Å; V50-A108 WeakPolarHBondContact CB-O 3.2Å; V50-A108 WeakPolarHBondContact CG2-O 3.32Å; A108-R110 PolarHBondContact O-N 2.87Å; A108-E111 PolarHBondContact N-OE2 3.4Å; A108-E111 WeakPolarHBondContact O-CB 3.45Å; A108-E111 PolarHBondContact O-N 2.85Å
109F97Very high97.6Very high105 Ų10559.6 Ų59.646%0.46128%0.277SS..THydrogen-bonded Turntrans-51.1132.4174.5177.9-126.6000112.3P52 L55 E111P52-F109 HydrophobicContact CB-CE2 4.42Å; P52-F109 HydrophobicContact CG-CE2 3.73Å; P52-F109 HydrophobicContact CG-CZ 4.22Å; L55-F109 HydrophobicContact CD1-CB 4Å; L55-F109 HydrophobicContact CD1-CD2 3.91Å; L55-F109 HydrophobicContact CD1-CG 4.1Å; L55-F109 HydrophobicContact CD2-CB 4.08Å; F109-E111 PolarHBondContact O-N 3.1Å
110R96.3Very high97.6Very high181 Ų18158.2 Ų58.268%0.68327%0.265SS*.THydrogen-bonded Turntrans62.59.6-176.2-54.317868.5174.32115.2V50 A108 A112V50-R110 PolarHBondContact O-N 3.4Å; A108-R110 PolarHBondContact O-N 2.87Å; R110-A112 PolarHBondContact O-N 2.79Å
111E97.4Very high97.6Very high27 Ų2755.3 Ų55.313%0.12625%0.247CC..  trans-70.7126171.7-169.1170.3164.100109.6M49 V50 L107 A108 F109 S135M49-E111 WeakPolarHBondContact CA-O 3.44Å; V50-E111 PolarHBondContact N-O 2.81Å; L107-E111 HydrophobicContact CD2-CG 4.11Å; L107-E111 WeakPolarHBondContact CD2-OE1 3.19Å; A108-E111 PolarHBondContact N-OE2 3.4Å; A108-E111 WeakPolarHBondContact O-CB 3.45Å; A108-E111 PolarHBondContact O-N 2.85Å; F109-E111 PolarHBondContact O-N 3.1Å; E111-S135 WeakPolarHBondContact OE1-CB 3.43Å; E111-S135 PolarHBondContact OE1-OG 2.86Å
112A98Very high97.5Very high33 Ų3354.3 Ų54.327%0.27324%0.241SC..EExtended strand (participates in β ladder)trans-83.814017400000110.1G48 M49 R110 K136G48-A112 WeakPolarHBondContact O-CA 3.43Å; M49-A112 HydrophobicContact CE-CB 4.39Å; R110-A112 PolarHBondContact O-N 2.79Å; A112-K136 HydrophobicContact CB-CB 4.19Å; A112-K136 HydrophobicContact CB-CD 4.14Å; A112-K136 WeakPolarHBondContact O-CB 3.35Å; A112-K136 PolarHBondContact O-N 2.71Å
113F98.4Very high97.4Very high2 Ų249.6 Ų49.61%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-142168.3-18062.6-90.8000110.8G48 V50 M61 E69 L107 I115 F133 V134G48-F113 PolarHBondContact N-O 2.75Å; G48-F113 PolarHBondContact O-N 2.85Å; G48-F113 VanDerWaalsContact O-O 3.11Å; V50-F113 HydrophobicContact CG2-CD1 4.18Å; V50-F113 HydrophobicContact CG2-CE1 3.97Å; M61-F113 HydrophobicContact CE-CZ 4.2Å; M61-F113 HydrophobicContact SD-CE1 4.29Å; M61-F113 HydrophobicContact SD-CZ 4.41Å; E69-F113 HydrophobicContact CG-CZ 4.48Å; L107-F113 HydrophobicContact CD1-CB 3.95Å; L107-F113 HydrophobicContact CD1-CD1 3.68Å; L107-F113 HydrophobicContact CD1-CD2 4.35Å; L107-F113 HydrophobicContact CD1-CE1 4.23Å; L107-F113 HydrophobicContact CD1-CG 3.74Å; L107-F113 HydrophobicContact CD2-CB 4.21Å; F113-I115 HydrophobicContact CD2-CG1 3.95Å; F113-I115 HydrophobicContact CE2-CD1 3.93Å; F113-I115 HydrophobicContact CE2-CG1 3.71Å; F113-F133 AromaticContact CD2-CD1 3.75Å; F113-F133 HydrophobicContact CD2-CD1 3.75Å; F113-F133 HydrophobicContact CD2-CE1 4.23Å; F113-F133 AromaticContact CE2-CD1 3.77Å; F113-F133 HydrophobicContact CE2-CD1 3.77Å; F113-F133 AromaticContact CE2-CE1 3.77Å; F113-F133 HydrophobicContact CE2-CE1 3.77Å; F113-F133 HydrophobicContact CZ-CE1 4.45Å; F113-V134 CarbonylContact C-O 3.51Å; F113-V134 VanDerWaalsContact CA-O 3.26Å; F113-V134 WeakPolarHBondContact CA-O 3.5Å; F113-V134 WeakPolarHBondContact CB-O 3.44Å
114Q98.4Very high97.3Very high36 Ų3650.4 Ų50.417%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-125.3134175.2-174.3179.756.500108.6S45 I46 R116 V134S45-Q114 VanDerWaalsContact CB-CD 3.42Å; S45-Q114 PolarHBondContact OG-NE2 2.82Å; S45-Q114 VanDerWaalsContact OG-NE2 3.15Å; I46-Q114 CarbonylContact O-C 3.54Å; I46-Q114 WeakPolarHBondContact O-CA 3.47Å; Q114-R116 HydrophobicContact CG-CG 4.29Å; Q114-V134 PolarHBondContact N-O 3.48Å; Q114-V134 PolarHBondContact O-N 3.34Å
115I98.6Very high97.2Very high2 Ų250.7 Ų50.71%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-100.7110.5171.7-48174.7000107.7S45 I46 E69 A73 F113 Q131 R132 F133S45-I115 WeakPolarHBondContact CA-O 3.22Å; I46-I115 HydrophobicContact CG2-CB 3.86Å; I46-I115 HydrophobicContact CG2-CD1 4.26Å; I46-I115 HydrophobicContact CG2-CG1 4.33Å; I46-I115 PolarHBondContact N-O 2.66Å; I46-I115 PolarHBondContact O-N 2.98Å; E69-I115 HydrophobicContact CB-CD1 3.58Å; A73-I115 HydrophobicContact CB-CB 4.08Å; A73-I115 HydrophobicContact CB-CD1 4.16Å; A73-I115 HydrophobicContact CB-CG2 3.7Å; F113-I115 HydrophobicContact CD2-CG1 3.95Å; F113-I115 HydrophobicContact CE2-CD1 3.93Å; F113-I115 HydrophobicContact CE2-CG1 3.71Å; I115-Q131 HydrophobicContact CG2-CB 4.29Å; I115-R132 CarbonylContact C-O 3.56Å; I115-R132 WeakPolarHBondContact CA-O 3.33Å; I115-F133 HydrophobicContact CD1-CD1 4.41Å; I115-F133 HydrophobicContact CD1-CE1 3.67Å; I115-F133 HydrophobicContact CD1-CZ 3.89Å; I115-F133 HydrophobicContact CG1-CD1 3.96Å; I115-F133 HydrophobicContact CG1-CE1 3.71Å; I115-F133 HydrophobicContact CG1-CZ 4.14Å
116R98.5Very high97.2Very high91 Ų9146.7 Ų46.734%0.34323%0.227SC..EExtended strand (participates in β ladder)trans-93.1115.3175.9-67.9172.9-176.9-162.56.7109E43 Q44 Q114 Q131 R132 V134E43-R116 HydrophobicContact CG-CB 3.93Å; E43-R116 HydrophobicContact CG-CG 4.43Å; E43-R116 VanDerWaalsContact OE1-CD 3.23Å; E43-R116 WeakPolarHBondContact OE1-CD 3.25Å; E43-R116 IonicContact OE1-NE 3.55Å; E43-R116 IonicContact OE1-NH1 2.87Å; Q44-R116 CarbonylContact O-C 3.56Å; Q44-R116 WeakPolarHBondContact O-CA 3.26Å; Q114-R116 HydrophobicContact CG-CG 4.29Å; R116-Q131 CarbonylContact O-C 3.58Å; R116-Q131 VanDerWaalsContact O-CA 3.26Å; R116-Q131 WeakPolarHBondContact O-CA 3.48Å; R116-R132 HydrophobicContact CB-CB 4.39Å; R116-R132 PolarHBondContact N-O 2.87Å; R116-R132 PolarHBondContact O-N 2.58Å; R116-V134 HydrophobicContact CG-CG2 4.33Å
117T98.4Very high97.3Very high2 Ų243.6 Ų43.61%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-109.8129.9-178-57.40000109.3Q44 H77 L129 E130 Q131Q44-T117 PolarHBondContact N-O 3.5Å; Q44-T117 PolarHBondContact O-N 3.38Å; H77-T117 HydrophobicContact CB-CG2 4.07Å; T117-L129 HydrophobicContact CG2-CD2 4.09Å; T117-E130 WeakPolarHBondContact CA-O 3.27Å; T117-Q131 HydrophobicContact CG2-CG 3.82Å; T117-Q131 PolarHBondContact OG1-NE2 2.82Å
118K97.4Very high97.3Very high82 Ų8243.9 Ų43.936%0.35721%0.206SC..EExtended strand (participates in β ladder)trans-137.3134.8177.7-177.4175.2-179.6177.60110.3L41 L120 L129 E130L41-K118 VanDerWaalsContact O-CE 3.28Å; L41-K118 WeakPolarHBondContact O-CE 3.38Å; K118-L120 HydrophobicContact CD-CD2 4.44Å; K118-L120 HydrophobicContact CG-CD2 4.5Å; K118-L129 CarbonylContact O-C 3.34Å; K118-L129 VanDerWaalsContact O-CA 3.3Å; K118-L129 WeakPolarHBondContact O-CA 3.36Å; K118-E130 PolarHBondContact N-O 3.34Å; K118-E130 PolarHBondContact O-N 3.11Å
119V97.6Very high97.4Very high0 Ų042 Ų420%019%0.191CC..EExtended strand (participates in β ladder)trans-77.8121.8166176.80000108I40 L41 W122 F127 Y128 L129I40-V119 HydrophobicContact CD1-CG1 4.34Å; I40-V119 HydrophobicContact CD1-CG2 4.38Å; I40-V119 HydrophobicContact CG1-CB 4.09Å; I40-V119 HydrophobicContact CG1-CG1 4.26Å; I40-V119 HydrophobicContact CG1-CG2 3.92Å; L41-V119 HydrophobicContact CD2-CG1 4.47Å; L41-V119 WeakPolarHBondContact CD2-O 3.29Å; V119-W122 HydrophobicContact CG1-CE3 3.99Å; V119-W122 HydrophobicContact CG1-CZ3 4.24Å; V119-F127 HydrophobicContact CG1-CD1 4.35Å; V119-Y128 CarbonylContact C-O 3.5Å; V119-Y128 WeakPolarHBondContact CA-O 3.27Å; V119-L129 HydrophobicContact CG2-CD2 4.14Å; V119-L129 HydrophobicContact CG2-CG 4.09Å
120L97.6Very high97.5Very high23 Ų2337.7 Ų37.712%0.1217%0.172CC..EExtended strand (participates in β ladder)trans-85.7-18.8177.5-61.7-176000112.5K118 Y128 E130 L146 P171 L177K118-L120 HydrophobicContact CD-CD2 4.44Å; K118-L120 HydrophobicContact CG-CD2 4.5Å; L120-Y128 PolarHBondContact N-O 3.03Å; L120-E130 HydrophobicContact CD1-CB 4Å; L120-E130 HydrophobicContact CD2-CB 4.05Å; L120-E130 HydrophobicContact CG-CB 4.02Å; L120-L146 HydrophobicContact CD1-CD2 3.84Å; L120-P171 VanDerWaalsContact O-CG 3.3Å; L120-P171 WeakPolarHBondContact O-CG 3.43Å; L120-L177 HydrophobicContact CB-CD2 3.72Å; L120-L177 HydrophobicContact CD1-CB 4.34Å; L120-L177 HydrophobicContact CD1-CD1 4.29Å; L120-L177 HydrophobicContact CD1-CD2 3.99Å; L120-L177 HydrophobicContact CD1-CG 4.44Å
121G97Very high97.6Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans152.1-173.718000000111.2Y128G121-Y128 PolarHBondContact O-N 2.91Å
122W97.3Very high97.7Very high12 Ų1232.1 Ų32.15%0.04515%0.15CC..EExtended strand (participates in β ladder)trans-149.1157.4177.953.292000111I40 L41 V119 A126 F127 P156 M160 I168 C170I40-W122 HydrophobicContact CD1-CE3 4.37Å; I40-W122 HydrophobicContact CD1-CZ3 4.08Å; I40-W122 HydrophobicContact CG2-CH2 3.96Å; I40-W122 HydrophobicContact CG2-CZ3 3.82Å; L41-W122 HydrophobicContact CD2-CZ3 3.98Å; V119-W122 HydrophobicContact CG1-CE3 3.99Å; V119-W122 HydrophobicContact CG1-CZ3 4.24Å; W122-A126 WeakPolarHBondContact CA-O 2.98Å; W122-A126 VanDerWaalsContact CB-O 3.32Å; W122-A126 WeakPolarHBondContact CB-O 3.43Å; W122-F127 HydrophobicContact CB-CD1 3.62Å; W122-F127 HydrophobicContact CB-CE1 3.94Å; W122-F127 HydrophobicContact CB-CG 4.24Å; W122-F127 HydrophobicContact CD2-CD1 4.26Å; W122-F127 HydrophobicContact CD2-CE1 4.01Å; W122-F127 HydrophobicContact CE3-CD1 4.07Å; W122-F127 HydrophobicContact CE3-CE1 4.03Å; W122-F127 HydrophobicContact CG-CD1 4.11Å; W122-F127 AromaticContact CG-CE1 3.98Å; W122-F127 HydrophobicContact CG-CE1 3.98Å; W122-P156 HydrophobicContact CB-CB 3.87Å; W122-P156 HydrophobicContact CB-CG 4.43Å; W122-P156 HydrophobicContact CG-CB 4.05Å; W122-M160 HydrophobicContact CD2-CG 4.49Å; W122-M160 HydrophobicContact CH2-CE 3.6Å; W122-M160 HydrophobicContact CH2-SD 4.46Å; W122-M160 HydrophobicContact CZ2-CE 3.72Å; W122-M160 HydrophobicContact CZ2-CG 4.2Å; W122-M160 HydrophobicContact CZ2-SD 4.44Å; W122-M160 HydrophobicContact CZ3-CE 4.18Å; W122-I168 HydrophobicContact CH2-CB 4.49Å; W122-I168 HydrophobicContact CH2-CG2 3.88Å; W122-I168 HydrophobicContact CZ2-CG2 4.34Å; W122-C170 HydrophobicContact CD2-CB 4.46Å; W122-C170 HydrophobicContact CZ2-CB 4.06Å; W122-C170 PolarHBondContact N-SG 3.48Å; W122-C170 PolarHBondContact O-SG 3.1Å
123D95.5Very high97.7Very high48 Ų4830.5 Ų30.526%0.25714%0.137SC..  trans-114.8-158.6170.368.28.8000110.6K125 A126 Y128 P156D123-K125 PolarHBondContact O-N 2.98Å; D123-K125 WeakPolarHBondContact OD1-CA 3.42Å; D123-K125 PolarHBondContact OD1-N 3.46Å; D123-A126 PolarHBondContact N-O 3.46Å; D123-A126 PolarHBondContact OD1-N 3.3Å; D123-Y128 HydrophobicContact CB-CE2 4.17Å; D123-Y128 PolarHBondContact OD2-OH 3.32Å; D123-P156 WeakPolarHBondContact O-CG 3.35Å
124D94.6Very high97.7Very high107 Ų10730.9 Ų30.957%0.57214%0.139SC*.SBendtrans-67.5-20.7177.864.6-38.4000113.6P156D124-P156 WeakPolarHBondContact O-CD 3.29Å
125K95.6Very high97.7Very high124 Ų12429.1 Ų29.154%0.53913%0.131SC..SBendtrans-124.6-22.5-167.8-73.7169.8-173.5168.90114.4D123 N150 V151D123-K125 PolarHBondContact O-N 2.98Å; D123-K125 WeakPolarHBondContact OD1-CA 3.42Å; D123-K125 PolarHBondContact OD1-N 3.46Å; K125-N150 CarbonylContact O-C 3.58Å; K125-N150 WeakPolarHBondContact O-CA 3.31Å; K125-V151 PolarHBondContact O-N 3.45Å
126A97.8Very high97.7Very high0 Ų034.1 Ų34.10%015%0.153CC..EExtended strand (participates in β ladder)trans-151.1151-168.600000114.1W122 D123 R148 Q149W122-A126 WeakPolarHBondContact CA-O 2.98Å; W122-A126 VanDerWaalsContact CB-O 3.32Å; W122-A126 WeakPolarHBondContact CB-O 3.43Å; D123-A126 PolarHBondContact N-O 3.46Å; D123-A126 PolarHBondContact OD1-N 3.3Å; A126-R148 HydrophobicContact CB-CG 3.64Å; A126-Q149 CarbonylContact C-O 3.58Å; A126-Q149 WeakPolarHBondContact CA-O 3.3Å; A126-Q149 WeakPolarHBondContact CB-O 3.33Å
127F98.1Very high97.5Very high0 Ų040.1 Ų40.10%018%0.175CC..EExtended strand (participates in β ladder)trans-88.9144.5161.6-68-84.5000110.3I40 L83 M94 V119 W122 L129 Q149 V151 P156 I159 M160I40-F127 HydrophobicContact CD1-CD1 4.39Å; I40-F127 HydrophobicContact CD1-CE1 3.94Å; L83-F127 HydrophobicContact CD2-CZ 4.31Å; M94-F127 HydrophobicContact CE-CD2 3.68Å; M94-F127 HydrophobicContact CE-CE2 3.45Å; M94-F127 VanDerWaalsContact CE-CE2 3.45Å; M94-F127 HydrophobicContact CE-CZ 4.37Å; V119-F127 HydrophobicContact CG1-CD1 4.35Å; W122-F127 HydrophobicContact CB-CD1 3.62Å; W122-F127 HydrophobicContact CB-CE1 3.94Å; W122-F127 HydrophobicContact CB-CG 4.24Å; W122-F127 HydrophobicContact CD2-CD1 4.26Å; W122-F127 HydrophobicContact CD2-CE1 4.01Å; W122-F127 HydrophobicContact CE3-CD1 4.07Å; W122-F127 HydrophobicContact CE3-CE1 4.03Å; W122-F127 HydrophobicContact CG-CD1 4.11Å; W122-F127 AromaticContact CG-CE1 3.98Å; W122-F127 HydrophobicContact CG-CE1 3.98Å; F127-L129 HydrophobicContact CB-CD1 3.94Å; F127-Q149 HydrophobicContact CB-CB 4.3Å; F127-Q149 PolarHBondContact N-O 2.93Å; F127-Q149 PolarHBondContact O-N 3.17Å; F127-V151 HydrophobicContact CD2-CG2 3.86Å; F127-V151 HydrophobicContact CE2-CG2 3.83Å; F127-P156 HydrophobicContact CD2-CB 4.18Å; F127-P156 HydrophobicContact CD2-CG 4.3Å; F127-P156 HydrophobicContact CE1-CB 4.01Å; F127-P156 HydrophobicContact CE2-CB 3.66Å; F127-P156 HydrophobicContact CE2-CG 4.13Å; F127-P156 HydrophobicContact CZ-CB 3.57Å; F127-I159 HydrophobicContact CE2-CD1 4.3Å; F127-M160 HydrophobicContact CE1-CG 4.13Å; F127-M160 HydrophobicContact CE1-SD 3.95Å; F127-M160 HydrophobicContact CZ-CG 4.15Å; F127-M160 HydrophobicContact CZ-SD 4.24Å
128Y98.3Very high97.5Very high5 Ų544.2 Ų44.22%0.0220%0.197CC..EExtended strand (participates in β ladder)trans-111.2124.4175.4-64.5-78.8000109.8V119 L120 G121 D123 C147 R148 F173 L177 W180 I181V119-Y128 CarbonylContact C-O 3.5Å; V119-Y128 WeakPolarHBondContact CA-O 3.27Å; L120-Y128 PolarHBondContact N-O 3.03Å; G121-Y128 PolarHBondContact O-N 2.91Å; D123-Y128 HydrophobicContact CB-CE2 4.17Å; D123-Y128 PolarHBondContact OD2-OH 3.32Å; Y128-C147 WeakPolarHBondContact CA-O 3.48Å; Y128-R148 HydrophobicContact CD1-CB 4.31Å; Y128-R148 HydrophobicContact CD1-CG 4.35Å; Y128-R148 HydrophobicContact CE1-CB 4.12Å; Y128-R148 HydrophobicContact CE1-CG 3.82Å; Y128-F173 HydrophobicContact CD2-CE2 4.2Å; Y128-F173 AromaticContact CD2-CZ 3.86Å; Y128-F173 HydrophobicContact CD2-CZ 3.86Å; Y128-F173 HydrophobicContact CE2-CE2 4.08Å; Y128-F173 HydrophobicContact CE2-CZ 4.01Å; Y128-L177 HydrophobicContact CD1-CD1 3.96Å; Y128-L177 HydrophobicContact CG-CD1 4.2Å; Y128-L177 HydrophobicContact CG-CD2 4.32Å; Y128-W180 AromaticContact CD1-CZ3 3.89Å; Y128-W180 HydrophobicContact CD1-CZ3 3.89Å; Y128-W180 HydrophobicContact CE1-CZ3 4.07Å; Y128-I181 HydrophobicContact CD1-CD1 4.15Å; Y128-I181 HydrophobicContact CD1-CG1 4.24Å; Y128-I181 HydrophobicContact CD2-CD1 4.48Å; Y128-I181 HydrophobicContact CE1-CD1 3.7Å; Y128-I181 HydrophobicContact CE1-CG1 3.62Å; Y128-I181 HydrophobicContact CE2-CD1 4.09Å; Y128-I181 HydrophobicContact CG-CD1 4.5Å
129L98.3Very high97.5Very high2 Ų242.6 Ų42.61%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-126.1146.1-176.1-60.387.7000111.4R74 Y78 T117 K118 V119 F127 L146 C147 Q149R74-L129 HydrophobicContact CG-CD2 4.19Å; Y78-L129 HydrophobicContact CE1-CD2 3.97Å; T117-L129 HydrophobicContact CG2-CD2 4.09Å; K118-L129 CarbonylContact O-C 3.34Å; K118-L129 VanDerWaalsContact O-CA 3.3Å; K118-L129 WeakPolarHBondContact O-CA 3.36Å; V119-L129 HydrophobicContact CG2-CD2 4.14Å; V119-L129 HydrophobicContact CG2-CG 4.09Å; F127-L129 HydrophobicContact CB-CD1 3.94Å; L129-L146 WeakPolarHBondContact O-CA 3.5Å; L129-C147 PolarHBondContact N-O 2.89Å; L129-C147 PolarHBondContact O-N 2.85Å; L129-Q149 HydrophobicContact CD1-CB 4.01Å; L129-Q149 HydrophobicContact CD1-CG 3.59Å
130E98.5Very high97.5Very high15 Ų1545.7 Ų45.77%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-110.1136.2165.4-170.6-174.547.300109.6T117 K118 L120 R132 V144 M145 L146T117-E130 WeakPolarHBondContact CA-O 3.27Å; K118-E130 PolarHBondContact N-O 3.34Å; K118-E130 PolarHBondContact O-N 3.11Å; L120-E130 HydrophobicContact CD1-CB 4Å; L120-E130 HydrophobicContact CD2-CB 4.05Å; L120-E130 HydrophobicContact CG-CB 4.02Å; E130-R132 VanDerWaalsContact CD-NH2 3.28Å; E130-R132 HydrophobicContact CG-CG 4.19Å; E130-R132 IonicContact OE1-CZ 3.15Å; E130-R132 IonicContact OE1-NE 2.98Å; E130-R132 PolarHBondContact OE1-NE 2.94Å; E130-R132 IonicContact OE1-NH2 2.97Å; E130-R132 PolarHBondContact OE1-NH2 3.24Å; E130-R132 IonicContact OE2-CZ 3.27Å; E130-R132 VanDerWaalsContact OE2-CZ 3.27Å; E130-R132 IonicContact OE2-NE 2.91Å; E130-R132 PolarHBondContact OE2-NE 3.47Å; E130-R132 IonicContact OE2-NH2 2.78Å; E130-R132 PolarHBondContact OE2-NH2 3.19Å; E130-V144 HydrophobicContact CG-CG1 3.99Å; E130-M145 CarbonylContact C-O 3.47Å; E130-M145 WeakPolarHBondContact CA-O 3.31Å; E130-L146 HydrophobicContact CB-CD2 4.17Å; E130-L146 HydrophobicContact CG-CD2 4.18Å
131Q98.7Very high97.5Very high0 Ų046.2 Ų46.20%022%0.222CC..EExtended strand (participates in β ladder)trans-130120.1174.8-62.8-176.7-101.500110.2C70 A73 R74 I115 R116 T117 V144 M145C70-Q131 PolarHBondContact O-NE2 3.07Å; A73-Q131 VanDerWaalsContact CB-NE2 3.35Å; R74-Q131 VanDerWaalsContact CG-OE1 3.3Å; I115-Q131 HydrophobicContact CG2-CB 4.29Å; R116-Q131 CarbonylContact O-C 3.58Å; R116-Q131 VanDerWaalsContact O-CA 3.26Å; R116-Q131 WeakPolarHBondContact O-CA 3.48Å; T117-Q131 HydrophobicContact CG2-CG 3.82Å; T117-Q131 PolarHBondContact OG1-NE2 2.82Å; Q131-V144 CarbonylContact O-C 3.59Å; Q131-V144 WeakPolarHBondContact O-CA 3.33Å; Q131-M145 HydrophobicContact CB-CE 3.91Å; Q131-M145 HydrophobicContact CG-CE 3.93Å; Q131-M145 PolarHBondContact N-O 2.94Å; Q131-M145 PolarHBondContact O-N 3.26Å
132R98.6Very high97.6Very high90 Ų9046.2 Ų46.234%0.3422%0.222SC..EExtended strand (participates in β ladder)trans-113.1124.9-176.5-61.6-178.6174.1171.62.9110.4I115 R116 E130 V134 V141 A143 V144I115-R132 CarbonylContact C-O 3.56Å; I115-R132 WeakPolarHBondContact CA-O 3.33Å; R116-R132 HydrophobicContact CB-CB 4.39Å; R116-R132 PolarHBondContact N-O 2.87Å; R116-R132 PolarHBondContact O-N 2.58Å; E130-R132 VanDerWaalsContact CD-NH2 3.28Å; E130-R132 HydrophobicContact CG-CG 4.19Å; E130-R132 IonicContact OE1-CZ 3.15Å; E130-R132 IonicContact OE1-NE 2.98Å; E130-R132 PolarHBondContact OE1-NE 2.94Å; E130-R132 IonicContact OE1-NH2 2.97Å; E130-R132 PolarHBondContact OE1-NH2 3.24Å; E130-R132 IonicContact OE2-CZ 3.27Å; E130-R132 VanDerWaalsContact OE2-CZ 3.27Å; E130-R132 IonicContact OE2-NE 2.91Å; E130-R132 PolarHBondContact OE2-NE 3.47Å; E130-R132 IonicContact OE2-NH2 2.78Å; E130-R132 PolarHBondContact OE2-NH2 3.19Å; R132-V134 HydrophobicContact CB-CG2 4.39Å; R132-V141 HydrophobicContact CB-CG1 4.15Å; R132-V141 HydrophobicContact CG-CG1 4.49Å; R132-A143 WeakPolarHBondContact CA-O 3.34Å; R132-V144 HydrophobicContact CG-CG1 4.13Å; R132-V144 HydrophobicContact CG-CG2 4.18Å
133F98.7Very high97.6Very high0 Ų045.7 Ų45.70%022%0.219CC..EExtended strand (participates in β ladder)trans-85.3115.3169.4-71.5-103.4000108.6Y66 E69 C70 L107 F113 I115 V141 S142 A143Y66-F133 AromaticContact CD1-CD1 3.69Å; Y66-F133 HydrophobicContact CD1-CD1 3.69Å; Y66-F133 AromaticContact CD1-CD2 3.72Å; Y66-F133 HydrophobicContact CD1-CD2 3.72Å; Y66-F133 AromaticContact CD1-CE1 3.72Å; Y66-F133 HydrophobicContact CD1-CE1 3.72Å; Y66-F133 AromaticContact CD1-CE2 3.74Å; Y66-F133 HydrophobicContact CD1-CE2 3.74Å; Y66-F133 AromaticContact CD1-CG 3.7Å; Y66-F133 HydrophobicContact CD1-CG 3.7Å; Y66-F133 AromaticContact CD1-CZ 3.76Å; Y66-F133 HydrophobicContact CD1-CZ 3.76Å; Y66-F133 HydrophobicContact CE1-CB 4.36Å; Y66-F133 AromaticContact CE1-CD1 3.94Å; Y66-F133 HydrophobicContact CE1-CD1 3.94Å; Y66-F133 HydrophobicContact CE1-CD2 4.38Å; Y66-F133 HydrophobicContact CE1-CE1 4.35Å; Y66-F133 AromaticContact CE1-CG 3.97Å; Y66-F133 HydrophobicContact CE1-CG 3.97Å; Y66-F133 HydrophobicContact CG-CE1 4.4Å; Y66-F133 HydrophobicContact CG-CE2 4.42Å; Y66-F133 HydrophobicContact CG-CZ 4.25Å; Y66-F133 VanDerWaalsContact O-CZ 3.31Å; Y66-F133 WeakPolarHBondContact O-CZ 3.44Å; E69-F133 HydrophobicContact CB-CE1 4.12Å; E69-F133 HydrophobicContact CB-CZ 4.15Å; C70-F133 WeakPolarHBondContact SG-CE2 3.45Å; L107-F133 HydrophobicContact CD1-CD1 4.25Å; F113-F133 AromaticContact CD2-CD1 3.75Å; F113-F133 HydrophobicContact CD2-CD1 3.75Å; F113-F133 HydrophobicContact CD2-CE1 4.23Å; F113-F133 AromaticContact CE2-CD1 3.77Å; F113-F133 HydrophobicContact CE2-CD1 3.77Å; F113-F133 AromaticContact CE2-CE1 3.77Å; F113-F133 HydrophobicContact CE2-CE1 3.77Å; F113-F133 HydrophobicContact CZ-CE1 4.45Å; I115-F133 HydrophobicContact CD1-CD1 4.41Å; I115-F133 HydrophobicContact CD1-CE1 3.67Å; I115-F133 HydrophobicContact CD1-CZ 3.89Å; I115-F133 HydrophobicContact CG1-CD1 3.96Å; I115-F133 HydrophobicContact CG1-CE1 3.71Å; I115-F133 HydrophobicContact CG1-CZ 4.14Å; F133-V141 CarbonylContact O-C 3.58Å; F133-V141 VanDerWaalsContact O-CA 3.27Å; F133-V141 WeakPolarHBondContact O-CA 3.19Å; F133-S142 PolarHBondContact O-N 3.19Å; F133-A143 HydrophobicContact CB-CB 4.2Å; F133-A143 HydrophobicContact CD2-CB 3.99Å; F133-A143 HydrophobicContact CG-CB 4.34Å; F133-A143 PolarHBondContact N-O 3.28Å
134V98.7Very high97.8Very high9 Ų944.1 Ų44.16%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-112.8118.3-179.6-173.30000108.7F113 Q114 R116 R132 K136 G139 F140 V141F113-V134 CarbonylContact C-O 3.51Å; F113-V134 VanDerWaalsContact CA-O 3.26Å; F113-V134 WeakPolarHBondContact CA-O 3.5Å; F113-V134 WeakPolarHBondContact CB-O 3.44Å; Q114-V134 PolarHBondContact N-O 3.48Å; Q114-V134 PolarHBondContact O-N 3.34Å; R116-V134 HydrophobicContact CG-CG2 4.33Å; R132-V134 HydrophobicContact CB-CG2 4.39Å; V134-K136 PolarHBondContact O-N 3.18Å; V134-G139 WeakPolarHBondContact CG1-O 3.14Å; V134-F140 CarbonylContact C-O 3.6Å; V134-F140 WeakPolarHBondContact CA-O 3.42Å; V134-V141 HydrophobicContact CG2-CG2 4.31Å
135S98Very high98Very high0 Ų039.1 Ų39.10%019%0.185CC..EExtended strand (participates in β ladder)trans-63.6130.1174.81790000109.6E111 R137 G139 F140E111-S135 WeakPolarHBondContact OE1-CB 3.43Å; E111-S135 PolarHBondContact OE1-OG 2.86Å; S135-R137 PolarHBondContact O-N 3.04Å; S135-R137 WeakPolarHBondContact OG-CB 3.19Å; S135-R137 PolarHBondContact OG-N 2.94Å; S135-G139 WeakPolarHBondContact O-CA 3.26Å; S135-G139 PolarHBondContact O-N 2.89Å; S135-F140 PolarHBondContact N-O 3.3Å
136K98Very high98.1Very high107 Ų10733.9 Ų33.947%0.46516%0.163SC..THydrogen-bonded Turntrans-75.8-10.9175.1-71.6-168.9170.6-162.50112.9D47 A112 V134D47-K136 VanDerWaalsContact CG-CE 3.48Å; D47-K136 WeakPolarHBondContact OD1-CE 3.42Å; D47-K136 IonicContact OD1-NZ 3.88Å; D47-K136 PolarHBondContact OD1-NZ 3.02Å; D47-K136 IonicContact OD2-NZ 3.93Å; D47-K136 PolarHBondContact OD2-NZ 3.29Å; A112-K136 HydrophobicContact CB-CB 4.19Å; A112-K136 HydrophobicContact CB-CD 4.14Å; A112-K136 WeakPolarHBondContact O-CB 3.35Å; A112-K136 PolarHBondContact O-N 2.71Å; V134-K136 PolarHBondContact O-N 3.18Å
137R95.8Very high98.1Very high216 Ų21634 Ų3482%0.81516%0.163SC*.THydrogen-bonded Turntrans-69.3-43.1178.4-178.5-179171.4-178-2111.9S135S135-R137 PolarHBondContact O-N 3.04Å; S135-R137 WeakPolarHBondContact OG-CB 3.19Å; S135-R137 PolarHBondContact OG-N 2.94Å
138D96.5Very high98.1Very high89 Ų8936.6 Ų36.648%0.47617%0.173SC..THydrogen-bonded Turntrans-143.53.4-171.564.6-1.4000114.1R105 F140R105-D138 IonicContact CZ-OD1 2.58Å; R105-D138 IonicContact CZ-OD2 2.86Å; R105-D138 IonicContact NH1-OD1 3.22Å; R105-D138 IonicContact NH1-OD2 4Å; R105-D138 PolarHBondContact NH1-OD2 3.09Å; R105-D138 IonicContact NH2-OD1 3.88Å; R105-D138 PolarHBondContact NH2-OD1 3.22Å; R105-D138 IonicContact NH2-OD2 2.71Å; R105-D138 PolarHBondContact NH2-OD2 2.89Å; D138-F140 PolarHBondContact O-N 2.6Å; D138-F140 WeakPolarHBondContact OD1-CB 3.32Å; D138-F140 PolarHBondContact OD1-N 3.49Å
139G97.3Very high98.1Very high48 Ų4836.7 Ų36.750%0.49517%0.174SC..  trans757.9-17900000114.6V134 S135V134-G139 WeakPolarHBondContact CG1-O 3.14Å; S135-G139 WeakPolarHBondContact O-CA 3.26Å; S135-G139 PolarHBondContact O-N 2.89Å
140F98.2Very high98.1Very high64 Ų6438.5 Ų38.528%0.28118%0.183SC..  trans-71.2137.1-179.4-174.8-93.4000111.7R104 R105 V134 S135 D138 S142R104-F140 HydrophobicContact CB-CE1 3.85Å; R104-F140 HydrophobicContact CB-CZ 4.11Å; R104-F140 VanDerWaalsContact CZ-CZ 3.44Å; R104-F140 VanDerWaalsContact NH1-CZ 3.34Å; R105-F140 HydrophobicContact CB-CD1 3.9Å; R105-F140 HydrophobicContact CB-CE1 3.47Å; R105-F140 VanDerWaalsContact CB-CE1 3.47Å; R105-F140 HydrophobicContact CB-CZ 4.37Å; R105-F140 VanDerWaalsContact NH2-CB 3.27Å; V134-F140 CarbonylContact C-O 3.6Å; V134-F140 WeakPolarHBondContact CA-O 3.42Å; S135-F140 PolarHBondContact N-O 3.3Å; D138-F140 PolarHBondContact O-N 2.6Å; D138-F140 WeakPolarHBondContact OD1-CB 3.32Å; D138-F140 PolarHBondContact OD1-N 3.49Å; F140-S142 PolarHBondContact O-N 3.46Å; F140-S142 VanDerWaalsContact O-N 3.1Å
141V98.5Very high98.1Very high35 Ų3538.4 Ų38.421%0.21218%0.184CC..EExtended strand (participates in β ladder)trans-7796.6173.5-174.70000110R104 R132 F133 V134 V144R104-V141 WeakPolarHBondContact CD-O 3.45Å; R104-V141 PolarHBondContact NH1-O 3Å; R132-V141 HydrophobicContact CB-CG1 4.15Å; R132-V141 HydrophobicContact CG-CG1 4.49Å; F133-V141 CarbonylContact O-C 3.58Å; F133-V141 VanDerWaalsContact O-CA 3.27Å; F133-V141 WeakPolarHBondContact O-CA 3.19Å; V134-V141 HydrophobicContact CG2-CG2 4.31Å; V141-V144 HydrophobicContact CG1-CG2 3.44Å; V141-V144 VanDerWaalsContact CG1-CG2 3.44Å
142S98.3Very high98Very high0 Ų042.1 Ų42.10%021%0.206CC..EExtended strand (participates in β ladder)trans-67.2-36.1-178.8-69.40000113.4R104 R105 L107 F133 F140R104-S142 WeakPolarHBondContact CA-O 3.38Å; R104-S142 WeakPolarHBondContact CB-O 3.38Å; R104-S142 PolarHBondContact N-O 3.36Å; R105-S142 PolarHBondContact N-O 2.77Å; R105-S142 WeakPolarHBondContact O-CB 3.2Å; L107-S142 WeakPolarHBondContact CD2-OG 3.45Å; F133-S142 PolarHBondContact O-N 3.19Å; F140-S142 PolarHBondContact O-N 3.46Å; F140-S142 VanDerWaalsContact O-N 3.1Å
143A98.6Very high97.8Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-152.8153.6176.600000111.5Y66 I101 R102 Y103 R132 F133Y66-A143 HydrophobicContact CD1-CB 3.78Å; Y66-A143 HydrophobicContact CE1-CB 3.8Å; I101-A143 HydrophobicContact CD1-CB 4.42Å; R102-A143 VanDerWaalsContact O-CA 3.27Å; R102-A143 WeakPolarHBondContact O-CA 3.36Å; Y103-A143 HydrophobicContact CD1-CB 4.12Å; R132-A143 WeakPolarHBondContact CA-O 3.34Å; F133-A143 HydrophobicContact CB-CB 4.2Å; F133-A143 HydrophobicContact CD2-CB 3.99Å; F133-A143 HydrophobicContact CG-CB 4.34Å; F133-A143 PolarHBondContact N-O 3.28Å
144V98.4Very high97.7Very high16 Ų1643 Ų4310%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-132.5130.9175.2-175.40000109.2I101 R102 E130 Q131 R132 V141I101-V144 CarbonylContact C-O 3.52Å; I101-V144 WeakPolarHBondContact CA-O 3.43Å; R102-V144 PolarHBondContact N-O 3.34Å; R102-V144 PolarHBondContact O-N 2.97Å; E130-V144 HydrophobicContact CG-CG1 3.99Å; Q131-V144 CarbonylContact O-C 3.59Å; Q131-V144 WeakPolarHBondContact O-CA 3.33Å; R132-V144 HydrophobicContact CG-CG1 4.13Å; R132-V144 HydrophobicContact CG-CG2 4.18Å; V141-V144 HydrophobicContact CG1-CG2 3.44Å; V141-V144 VanDerWaalsContact CG1-CG2 3.44Å
145M98.4Very high97.6Very high1 Ų144 Ų441%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-121.5130177.3-173.5-161.166.700110.7L67 C70 R74 T100 I101 E130 Q131 C147L67-M145 HydrophobicContact CD2-CG 4.35Å; L67-M145 HydrophobicContact CD2-SD 3.65Å; C70-M145 HydrophobicContact CB-CE 3.69Å; C70-M145 HydrophobicContact CB-SD 3.85Å; R74-M145 VanDerWaalsContact NH1-CE 3.26Å; T100-M145 CarbonylContact O-C 3.59Å; T100-M145 VanDerWaalsContact O-CA 3.3Å; T100-M145 WeakPolarHBondContact O-CA 3.41Å; I101-M145 HydrophobicContact CB-CB 4.15Å; I101-M145 HydrophobicContact CB-CG 4.09Å; I101-M145 HydrophobicContact CD1-CB 4.24Å; I101-M145 HydrophobicContact CG1-CB 4.12Å; E130-M145 CarbonylContact C-O 3.47Å; E130-M145 WeakPolarHBondContact CA-O 3.31Å; Q131-M145 HydrophobicContact CB-CE 3.91Å; Q131-M145 HydrophobicContact CG-CE 3.93Å; Q131-M145 PolarHBondContact N-O 2.94Å; Q131-M145 PolarHBondContact O-N 3.26Å; M145-C147 HydrophobicContact CE-CB 3.62Å; M145-C147 HydrophobicContact SD-CB 4.48Å
146L98.6Very high97.5Very high15 Ų1544 Ų448%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-96.3136162.7-66.9176.6000109.1S99 T100 L120 L129 E130 E176 W180S99-L146 CarbonylContact C-O 3.53Å; S99-L146 VanDerWaalsContact CA-O 3.27Å; S99-L146 WeakPolarHBondContact CA-O 3.49Å; T100-L146 PolarHBondContact N-O 3.36Å; T100-L146 PolarHBondContact O-N 3.36Å; L120-L146 HydrophobicContact CD1-CD2 3.84Å; L129-L146 WeakPolarHBondContact O-CA 3.5Å; E130-L146 HydrophobicContact CB-CD2 4.17Å; E130-L146 HydrophobicContact CG-CD2 4.18Å; L146-E176 HydrophobicContact CD1-CG 4.48Å; L146-W180 HydrophobicContact CB-CD2 4.02Å; L146-W180 HydrophobicContact CB-CE3 4.34Å; L146-W180 HydrophobicContact CB-CG 4.45Å; L146-W180 HydrophobicContact CB-CH2 4.48Å; L146-W180 HydrophobicContact CB-CZ2 4.2Å; L146-W180 HydrophobicContact CD1-CB 3.85Å; L146-W180 HydrophobicContact CD1-CD2 4.05Å; L146-W180 HydrophobicContact CD1-CG 3.71Å
147C98.3Very high97.3Very high1 Ų143.3 Ų43.31%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-137.1134-177.6-174.10000111.6A98 Y128 L129 M145 Q149A98-C147 WeakPolarHBondContact O-CA 3.33Å; Y128-C147 WeakPolarHBondContact CA-O 3.48Å; L129-C147 PolarHBondContact N-O 2.89Å; L129-C147 PolarHBondContact O-N 2.85Å; M145-C147 HydrophobicContact CE-CB 3.62Å; M145-C147 HydrophobicContact SD-CB 4.48Å; C147-Q149 PolarHBondContact SG-NE2 3.46Å
148R98.2Very high97.3Very high56 Ų5635.2 Ų35.221%0.21122%0.219CC..EExtended strand (participates in β ladder)trans-102.8119.6171.4-179.1178.8-175.7-124-3.2108.3G97 A98 A126 Y128 N150 W180G97-R148 PolarHBondContact N-O 3.15Å; A98-R148 HydrophobicContact CB-CB 4.16Å; A98-R148 PolarHBondContact N-O 3.14Å; A98-R148 PolarHBondContact O-N 3.32Å; A126-R148 HydrophobicContact CB-CG 3.64Å; Y128-R148 HydrophobicContact CD1-CB 4.31Å; Y128-R148 HydrophobicContact CD1-CG 4.35Å; Y128-R148 HydrophobicContact CE1-CB 4.12Å; Y128-R148 HydrophobicContact CE1-CG 3.82Å; R148-N150 PolarHBondContact NE-OD1 3.35Å; R148-N150 PolarHBondContact NH1-OD1 2.8Å; R148-W180 HydrophobicContact CB-CH2 3.67Å; R148-W180 HydrophobicContact CB-CZ3 3.98Å
149Q97.9Very high97.3Very high7 Ų731 Ų313%0.03320%0.197CC..EExtended strand (participates in β ladder)trans-109.895.6-178.2-72.1-76.2-27.800108.9Y78 V95 A126 F127 L129 C147Y78-Q149 VanDerWaalsContact OH-CG 3.29Å; Y78-Q149 WeakPolarHBondContact OH-CG 3.48Å; V95-Q149 CarbonylContact O-C 3.6Å; V95-Q149 WeakPolarHBondContact O-CA 3.48Å; A126-Q149 CarbonylContact C-O 3.58Å; A126-Q149 WeakPolarHBondContact CA-O 3.3Å; A126-Q149 WeakPolarHBondContact CB-O 3.33Å; F127-Q149 HydrophobicContact CB-CB 4.3Å; F127-Q149 PolarHBondContact N-O 2.93Å; F127-Q149 PolarHBondContact O-N 3.17Å; L129-Q149 HydrophobicContact CD1-CB 4.01Å; L129-Q149 HydrophobicContact CD1-CG 3.59Å; C147-Q149 PolarHBondContact SG-NE2 3.46Å
150N97.6Very high97.2Very high39 Ų3929 Ų2921%0.20918%0.175CC..EExtended strand (participates in β ladder)trans-67.7139178.4-63.7-18.9000109.8M94 V95 G97 K125 R148M94-N150 WeakPolarHBondContact CA-O 3.37Å; V95-N150 HydrophobicContact CG2-CB 3.86Å; V95-N150 PolarHBondContact N-O 3.4Å; V95-N150 PolarHBondContact O-N 3.17Å; G97-N150 WeakPolarHBondContact CA-ND2 3.47Å; K125-N150 CarbonylContact O-C 3.58Å; K125-N150 WeakPolarHBondContact O-CA 3.31Å; R148-N150 PolarHBondContact NE-OD1 3.35Å; R148-N150 PolarHBondContact NH1-OD1 2.8Å
151V97.9Very high97Very high14 Ų1432.3 Ų32.39%0.08519%0.191CC..EExtended strand (participates in β ladder)trans-98.8120.4172.7-176.90000108.3A92 K93 K125 F127 P156 I159A92-V151 HydrophobicContact CB-CG1 4Å; K93-V151 WeakPolarHBondContact O-CA 3.41Å; K125-V151 PolarHBondContact O-N 3.45Å; F127-V151 HydrophobicContact CD2-CG2 3.86Å; F127-V151 HydrophobicContact CE2-CG2 3.83Å; V151-P156 HydrophobicContact CB-CG 4.42Å; V151-P156 HydrophobicContact CG2-CG 3.79Å; V151-I159 HydrophobicContact CB-CD1 4.49Å; V151-I159 HydrophobicContact CG1-CD1 3.56Å; V151-I159 HydrophobicContact CG2-CD1 4.04Å
152V96.9Very high96.7Very high78 Ų7835.4 Ų35.447%0.47320%0.202SC..EExtended strand (participates in β ladder)trans-111.7134178.7-179.10000109.2A92 K93 V95 S154A92-V152 CarbonylContact C-O 3.57Å; A92-V152 WeakPolarHBondContact CA-O 3.43Å; K93-V152 HydrophobicContact CB-CB 4.49Å; K93-V152 PolarHBondContact N-O 3.27Å; K93-V152 PolarHBondContact O-N 2.97Å; V95-V152 HydrophobicContact CG2-CG2 3.86Å; V152-S154 VanDerWaalsContact C-N 3.31Å
153G95.7Very high96.5Very high68 Ų6836 Ų3670%0.70121%0.206SC*.SBendtrans85.4-4.1-178.100000114.8
154S95.8Very high96.2Very high40 Ų4037.2 Ų37.228%0.2821%0.21SC..SBendtrans-159.6-160.1174.5-165.30000109.2V152 S158V152-S154 VanDerWaalsContact C-N 3.31Å; S154-S158 WeakPolarHBondContact OG-CB 3.12Å
155S96.2Very high95.7Very high30 Ų3045.4 Ų45.421%0.2125%0.245CC..  trans-130160174.768.60000111.5E157 S158 I159S155-E157 PolarHBondContact O-N 2.92Å; S155-S158 PolarHBondContact O-N 3.2Å; S155-S158 PolarHBondContact OG-N 2.95Å; S155-S158 VanDerWaalsContact OG-N 3.16Å; S155-S158 PolarHBondContact OG-OG 2.98Å; S155-I159 WeakPolarHBondContact O-CG1 3.12Å; S155-I159 PolarHBondContact O-N 2.99Å
156P96.1Very high95.1Very high0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-52.7-44.1169.4-28.238000112.4W122 D123 D124 F127 V151 S158 I159 M160W122-P156 HydrophobicContact CB-CB 3.87Å; W122-P156 HydrophobicContact CB-CG 4.43Å; W122-P156 HydrophobicContact CG-CB 4.05Å; D123-P156 WeakPolarHBondContact O-CG 3.35Å; D124-P156 WeakPolarHBondContact O-CD 3.29Å; F127-P156 HydrophobicContact CD2-CB 4.18Å; F127-P156 HydrophobicContact CD2-CG 4.3Å; F127-P156 HydrophobicContact CE1-CB 4.01Å; F127-P156 HydrophobicContact CE2-CB 3.66Å; F127-P156 HydrophobicContact CE2-CG 4.13Å; F127-P156 HydrophobicContact CZ-CB 3.57Å; V151-P156 HydrophobicContact CB-CG 4.42Å; V151-P156 HydrophobicContact CG2-CG 3.79Å; P156-S158 PolarHBondContact O-N 3.45Å; P156-I159 PolarHBondContact O-N 3.43Å; P156-M160 VanDerWaalsContact O-CG 3.25Å; P156-M160 WeakPolarHBondContact O-CG 3.43Å; P156-M160 PolarHBondContact O-N 3.38Å
157E94.4Very high94.4Very high92 Ų9258.9 Ų58.943%0.4331%0.305SS..Hα-helixtrans-58.2-48.1-179.4-166.167.1-166.700112.3S155 I159 M160 E161S155-E157 PolarHBondContact O-N 2.92Å; E157-I159 VanDerWaalsContact C-N 3.31Å; E157-I159 PolarHBondContact O-N 3.39Å; E157-M160 WeakPolarHBondContact O-CB 3.46Å; E157-M160 PolarHBondContact O-N 2.91Å; E157-M160 VanDerWaalsContact O-N 3.14Å; E157-E161 WeakPolarHBondContact O-CB 3.27Å; E157-E161 PolarHBondContact O-N 2.99Å
158S94.9Very high93.9Very high46 Ų4660.4 Ų60.432%0.32231%0.313SS..Hα-helixtrans-63.9-37178.2-61.60000112.5L90 S154 S155 P156 F162L90-S158 WeakPolarHBondContact CD1-O 3.26Å; S154-S158 WeakPolarHBondContact OG-CB 3.12Å; S155-S158 PolarHBondContact O-N 3.2Å; S155-S158 PolarHBondContact OG-N 2.95Å; S155-S158 VanDerWaalsContact OG-N 3.16Å; S155-S158 PolarHBondContact OG-OG 2.98Å; P156-S158 PolarHBondContact O-N 3.45Å; S158-F162 WeakPolarHBondContact O-CB 3.37Å; S158-F162 PolarHBondContact O-N 3.36Å
159I96.2Very high93.4Very high0 Ų065.8 Ų65.80%034%0.34CS..Hα-helixtrans-65.4-42.7174.7-64.8169.7000110L83 A86 L90 A92 M94 F127 V151 S155 P156 E157 T163L83-I159 HydrophobicContact CB-CG2 4.46Å; L83-I159 HydrophobicContact CD2-CG2 3.47Å; L83-I159 VanDerWaalsContact CD2-CG2 3.47Å; A86-I159 HydrophobicContact CB-CG2 3.92Å; L90-I159 HydrophobicContact CD1-CB 4.42Å; L90-I159 HydrophobicContact CD1-CG1 3.92Å; A92-I159 HydrophobicContact CB-CD1 3.9Å; A92-I159 HydrophobicContact CB-CG1 4.34Å; M94-I159 HydrophobicContact CE-CD1 3.95Å; M94-I159 HydrophobicContact CE-CG2 4.45Å; F127-I159 HydrophobicContact CE2-CD1 4.3Å; V151-I159 HydrophobicContact CB-CD1 4.49Å; V151-I159 HydrophobicContact CG1-CD1 3.56Å; V151-I159 HydrophobicContact CG2-CD1 4.04Å; S155-I159 WeakPolarHBondContact O-CG1 3.12Å; S155-I159 PolarHBondContact O-N 2.99Å; P156-I159 PolarHBondContact O-N 3.43Å; E157-I159 VanDerWaalsContact C-N 3.31Å; E157-I159 PolarHBondContact O-N 3.39Å; I159-T163 WeakPolarHBondContact O-CB 3.48Å; I159-T163 PolarHBondContact O-N 3.39Å; I159-T163 PolarHBondContact O-OG1 3.15Å
160M95.3Very high93.1Very high7 Ų767.2 Ų67.23%0.03435%0.351CS..Hα-helixtrans-62.9-49.5178.7-72.6-57.7-67.700111.8I40 L83 W122 F127 P156 E157 F162 T163 Y164 I168I40-M160 HydrophobicContact CB-CE 4.33Å; I40-M160 HydrophobicContact CD1-CE 3.82Å; I40-M160 HydrophobicContact CD1-SD 3.26Å; I40-M160 WeakPolarHBondContact CD1-SD 3.44Å; I40-M160 HydrophobicContact CG2-CE 3.81Å; L83-M160 HydrophobicContact CD2-SD 4.13Å; W122-M160 HydrophobicContact CD2-CG 4.49Å; W122-M160 HydrophobicContact CH2-CE 3.6Å; W122-M160 HydrophobicContact CH2-SD 4.46Å; W122-M160 HydrophobicContact CZ2-CE 3.72Å; W122-M160 HydrophobicContact CZ2-CG 4.2Å; W122-M160 HydrophobicContact CZ2-SD 4.44Å; W122-M160 HydrophobicContact CZ3-CE 4.18Å; F127-M160 HydrophobicContact CE1-CG 4.13Å; F127-M160 HydrophobicContact CE1-SD 3.95Å; F127-M160 HydrophobicContact CZ-CG 4.15Å; F127-M160 HydrophobicContact CZ-SD 4.24Å; P156-M160 VanDerWaalsContact O-CG 3.25Å; P156-M160 WeakPolarHBondContact O-CG 3.43Å; P156-M160 PolarHBondContact O-N 3.38Å; E157-M160 WeakPolarHBondContact O-CB 3.46Å; E157-M160 PolarHBondContact O-N 2.91Å; E157-M160 VanDerWaalsContact O-N 3.14Å; M160-F162 PolarHBondContact O-N 2.95Å; M160-T163 PolarHBondContact O-N 3.04Å; M160-Y164 HydrophobicContact CE-CD2 3.51Å; M160-Y164 HydrophobicContact CE-CE2 3.43Å; M160-Y164 VanDerWaalsContact CE-CE2 3.43Å; M160-Y164 WeakPolarHBondContact O-CD2 3.42Å; M160-Y164 PolarHBondContact O-N 2.81Å; M160-Y164 HydrophobicContact SD-CD2 4.01Å; M160-Y164 HydrophobicContact SD-CE2 3.64Å; M160-I168 HydrophobicContact CE-CB 3.95Å; M160-I168 HydrophobicContact CE-CD1 3.74Å; M160-I168 HydrophobicContact CE-CG1 4.27Å; M160-I168 HydrophobicContact CE-CG2 4.26Å
161E93.9Very high93Very high133 Ų13367.4 Ų67.462%0.62135%0.354SS*.Hα-helixtrans-58.5-46.8178.4-173179.7-169.500111.2E157 T163 K165E157-E161 WeakPolarHBondContact O-CB 3.27Å; E157-E161 PolarHBondContact O-N 2.99Å; E161-T163 PolarHBondContact O-N 3.18Å; E161-K165 VanDerWaalsContact O-CA 3.27Å; E161-K165 WeakPolarHBondContact O-CA 3.42Å; E161-K165 PolarHBondContact O-N 2.87Å
162F94.1Very high92.8Very high101 Ų10174.4 Ų74.444%0.44339%0.386SS..Hα-helixtrans-63.9-42.6177.2-174.9-82.9000112.3A86 K89 L90 S158 M160A86-F162 HydrophobicContact CB-CB 4.49Å; A86-F162 HydrophobicContact CB-CD1 3.51Å; A86-F162 HydrophobicContact CB-CE1 4.17Å; A86-F162 HydrophobicContact CB-CG 4.35Å; K89-F162 HydrophobicContact CB-CE1 4.15Å; K89-F162 HydrophobicContact CB-CE2 4.37Å; K89-F162 HydrophobicContact CB-CZ 3.79Å; K89-F162 HydrophobicContact CG-CE1 4.35Å; K89-F162 HydrophobicContact CG-CZ 4.03Å; L90-F162 HydrophobicContact CD1-CB 3.97Å; L90-F162 HydrophobicContact CD1-CG 4.36Å; L90-F162 HydrophobicContact CD2-CD2 4.18Å; L90-F162 HydrophobicContact CG-CD2 4.47Å; L90-F162 HydrophobicContact CG-CG 4.46Å; S158-F162 WeakPolarHBondContact O-CB 3.37Å; S158-F162 PolarHBondContact O-N 3.36Å; M160-F162 PolarHBondContact O-N 2.95Å
163T93.8Very high92.7Very high13 Ų1372.9 Ų72.98%0.0837%0.373CS..Hα-helixtrans-68.8-44-174.3-61.40000112.6R36 N81 L83 A86 I159 M160 E161R36-T163 PolarHBondContact NH2-O 2.86Å; N81-T163 VanDerWaalsContact O-CG2 3.28Å; N81-T163 WeakPolarHBondContact O-CG2 3.41Å; L83-T163 HydrophobicContact CD2-CG2 4.44Å; A86-T163 WeakPolarHBondContact CB-OG1 3.39Å; I159-T163 WeakPolarHBondContact O-CB 3.48Å; I159-T163 PolarHBondContact O-N 3.39Å; I159-T163 PolarHBondContact O-OG1 3.15Å; M160-T163 PolarHBondContact O-N 3.04Å; E161-T163 PolarHBondContact O-N 3.18Å
164Y92.2Very high92.7Very high25 Ų2572.6 Ų72.610%0.09836%0.359CS..Hα-helixtrans-114.1-15.6-168-59.2-68.8000114.2E38 I40 N81 M160 K166 I168E38-Y164 WeakPolarHBondContact O-CD1 3.36Å; E38-Y164 WeakPolarHBondContact O-CE1 3.17Å; I40-Y164 HydrophobicContact CB-CE2 4.13Å; I40-Y164 WeakPolarHBondContact CB-OH 3.37Å; I40-Y164 HydrophobicContact CD1-CE2 4.43Å; N81-Y164 PolarHBondContact O-OH 2.66Å; M160-Y164 HydrophobicContact CE-CD2 3.51Å; M160-Y164 HydrophobicContact CE-CE2 3.43Å; M160-Y164 VanDerWaalsContact CE-CE2 3.43Å; M160-Y164 WeakPolarHBondContact O-CD2 3.42Å; M160-Y164 PolarHBondContact O-N 2.81Å; M160-Y164 HydrophobicContact SD-CD2 4.01Å; M160-Y164 HydrophobicContact SD-CE2 3.64Å; Y164-K166 PolarHBondContact O-N 2.89Å; Y164-I168 HydrophobicContact CD1-CD1 4.12Å; Y164-I168 HydrophobicContact CD2-CD1 3.49Å; Y164-I168 VanDerWaalsContact CD2-CD1 3.49Å; Y164-I168 HydrophobicContact CE2-CD1 4.04Å; Y164-I168 HydrophobicContact CG-CD1 3.53Å
165K87.9Confident92.8Very high188 Ų18875.9 Ų75.982%0.81737%0.37SS*.SBendtrans53.122.9179.8-54.3-177.5179.7-177.70114.2E161E161-K165 VanDerWaalsContact O-CA 3.27Å; E161-K165 WeakPolarHBondContact O-CA 3.42Å; E161-K165 PolarHBondContact O-N 2.87Å
166K86.1Confident92.7Very high119 Ų11979.7 Ų79.752%0.51739%0.385SS..SBendtrans-144.1148.9176.968-174-179.7-176.80107.9Y164 I168Y164-K166 PolarHBondContact O-N 2.89Å; K166-I168 HydrophobicContact CG-CG1 4.06Å; K166-I168 PolarHBondContact O-N 3.45Å
167Q83Confident92.8Very high179 Ų17979.8 Ų79.884%0.83639%0.385SS*.PPolyproline II helixtrans-71.4116.7173.8-164.916730.800108.5
168I87.3Confident93Very high33 Ų3379.3 Ų79.317%0.16938%0.382CS..PPolyproline II helixtrans-101.9119.1171.9-60.9-176.5000106.1I40 W122 M160 Y164 K166 C170I40-I168 HydrophobicContact CG2-CG2 4.42Å; W122-I168 HydrophobicContact CH2-CB 4.49Å; W122-I168 HydrophobicContact CH2-CG2 3.88Å; W122-I168 HydrophobicContact CZ2-CG2 4.34Å; M160-I168 HydrophobicContact CE-CB 3.95Å; M160-I168 HydrophobicContact CE-CD1 3.74Å; M160-I168 HydrophobicContact CE-CG1 4.27Å; M160-I168 HydrophobicContact CE-CG2 4.26Å; Y164-I168 HydrophobicContact CD1-CD1 4.12Å; Y164-I168 HydrophobicContact CD2-CD1 3.49Å; Y164-I168 VanDerWaalsContact CD2-CD1 3.49Å; Y164-I168 HydrophobicContact CE2-CD1 4.04Å; Y164-I168 HydrophobicContact CG-CD1 3.53Å; K166-I168 HydrophobicContact CG-CG1 4.06Å; K166-I168 PolarHBondContact O-N 3.45Å; I168-C170 PolarHBondContact O-N 2.99Å
169E88.9Confident93.1Very high169 Ų16983.4 Ų83.479%0.7940%0.395SS*.PPolyproline II helixtrans-67.4128177.4-166.5175.8178.300109.7
170C91.8Very high93.2Very high38 Ų3884.3 Ų84.326%0.25740%0.399SS..PPolyproline II helixtrans-67.1125.1174.3-174.20000108.7W122 I168W122-C170 HydrophobicContact CD2-CB 4.46Å; W122-C170 HydrophobicContact CZ2-CB 4.06Å; W122-C170 PolarHBondContact N-SG 3.48Å; W122-C170 PolarHBondContact O-SG 3.1Å; I168-C170 PolarHBondContact O-N 2.99Å
171P93.9Very high93.3Very high43 Ų4385.4 Ų85.428%0.27940%0.404SS..PPolyproline II helixtrans-66153.2-178.429.6-37.2000111.1L41 L120 F173L41-P171 HydrophobicContact CD1-CB 4.32Å; L41-P171 HydrophobicContact CD1-CG 3.96Å; L41-P171 HydrophobicContact CD2-CG 3.82Å; L120-P171 VanDerWaalsContact O-CG 3.3Å; L120-P171 WeakPolarHBondContact O-CG 3.43Å; P171-F173 PolarHBondContact O-N 3.48Å
172Q94.1Very high93.5Very high161 Ų16182.8 Ų82.875%0.75240%0.401SS*.PPolyproline II helixtrans-60.3128.9171.1-68.8-63.3-35.600110.2
173F96Very high93.7Very high46 Ų4684.2 Ų84.220%0.20241%0.407CS..PPolyproline II helixtrans-65.3133-178.2-68.1-5.3000110.6Y128 P171 L177 K178 I181Y128-F173 HydrophobicContact CD2-CE2 4.2Å; Y128-F173 AromaticContact CD2-CZ 3.86Å; Y128-F173 HydrophobicContact CD2-CZ 3.86Å; Y128-F173 HydrophobicContact CE2-CE2 4.08Å; Y128-F173 HydrophobicContact CE2-CZ 4.01Å; P171-F173 PolarHBondContact O-N 3.48Å; F173-L177 HydrophobicContact CB-CD2 3.97Å; F173-L177 HydrophobicContact CB-CG 4.37Å; F173-L177 HydrophobicContact CD1-CD2 3.96Å; F173-L177 HydrophobicContact CD2-CD2 4.11Å; F173-L177 HydrophobicContact CD2-CG 4.45Å; F173-L177 HydrophobicContact CG-CD2 3.74Å; F173-L177 HydrophobicContact CG-CG 4.39Å; F173-K178 HydrophobicContact CB-CG 3.88Å; F173-K178 WeakPolarHBondContact O-CE 3.31Å; F173-I181 HydrophobicContact CD2-CD1 3.61Å; F173-I181 HydrophobicContact CE2-CD1 3.62Å
174P95.5Very high93.8Very high62 Ų6284.7 Ų84.740%0.40341%0.409SS..PPolyproline II helixtrans-57.7150.5169.2-23.433.6000111.5E176 L177 K178P174-E176 VanDerWaalsContact C-N 3.28Å; P174-E176 PolarHBondContact O-N 2.96Å; P174-L177 WeakPolarHBondContact O-CA 3.34Å; P174-L177 WeakPolarHBondContact O-CB 3.19Å; P174-L177 PolarHBondContact O-N 3.28Å; P174-K178 PolarHBondContact O-N 2.9Å
175E96.6Very high94Very high109 Ų10985.9 Ų85.951%0.50942%0.421SS..Hα-helixtrans-57.2-39.5-179.1-69.8-55.3125.100113L177 K178 H179E175-L177 VanDerWaalsContact C-N 3.29Å; E175-L177 PolarHBondContact O-N 3.33Å; E175-K178 PolarHBondContact O-N 2.94Å; E175-K178 IonicContact OE1-NZ 2.73Å; E175-K178 PolarHBondContact OE1-NZ 3.12Å; E175-H179 PolarHBondContact O-CD2 3.02Å; E175-H179 PolarHBondContact O-N 3.49Å
176E95.9Very high94.4Very high110 Ų11079.4 Ų79.451%0.51440%0.403SS..Hα-helixtrans-57.7-42.5174.4-176.6177.1-167.400111.8L146 P174 H179 W180L146-E176 HydrophobicContact CD1-CG 4.48Å; P174-E176 VanDerWaalsContact C-N 3.28Å; P174-E176 PolarHBondContact O-N 2.96Å; E176-H179 PolarHBondContact O-N 3.19Å; E176-W180 WeakPolarHBondContact O-CB 3.37Å; E176-W180 PolarHBondContact O-N 3.35Å
177L97.3Very high94.8Very high2 Ų276.5 Ų76.51%0.0140%0.397CS..Hα-helixtrans-66.9-41.6177.6178.461.4000111.1L120 Y128 F173 P174 E175 W180 I181L120-L177 HydrophobicContact CB-CD2 3.72Å; L120-L177 HydrophobicContact CD1-CB 4.34Å; L120-L177 HydrophobicContact CD1-CD1 4.29Å; L120-L177 HydrophobicContact CD1-CD2 3.99Å; L120-L177 HydrophobicContact CD1-CG 4.44Å; Y128-L177 HydrophobicContact CD1-CD1 3.96Å; Y128-L177 HydrophobicContact CG-CD1 4.2Å; Y128-L177 HydrophobicContact CG-CD2 4.32Å; F173-L177 HydrophobicContact CB-CD2 3.97Å; F173-L177 HydrophobicContact CB-CG 4.37Å; F173-L177 HydrophobicContact CD1-CD2 3.96Å; F173-L177 HydrophobicContact CD2-CD2 4.11Å; F173-L177 HydrophobicContact CD2-CG 4.45Å; F173-L177 HydrophobicContact CG-CD2 3.74Å; F173-L177 HydrophobicContact CG-CG 4.39Å; P174-L177 WeakPolarHBondContact O-CA 3.34Å; P174-L177 WeakPolarHBondContact O-CB 3.19Å; P174-L177 PolarHBondContact O-N 3.28Å; E175-L177 VanDerWaalsContact C-N 3.29Å; E175-L177 PolarHBondContact O-N 3.33Å; L177-W180 HydrophobicContact CD1-CE3 3.86Å; L177-W180 HydrophobicContact CD1-CZ3 4.39Å; L177-W180 PolarHBondContact O-N 3.22Å; L177-I181 HydrophobicContact CD1-CD1 4.06Å; L177-I181 HydrophobicContact CD1-CG1 4.16Å; L177-I181 HydrophobicContact CD2-CD1 4.47Å; L177-I181 HydrophobicContact CG-CD1 3.85Å; L177-I181 HydrophobicContact CG-CG1 4.38Å; L177-I181 WeakPolarHBondContact O-CB 3.29Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.42Å; L177-I181 PolarHBondContact O-N 2.9Å
178K97.8Very high95.3Very high82 Ų8270 Ų7036%0.35737%0.372SS..Hα-helixtrans-60.9-46.1176.7-66.9177.4-176.2162.20111.7F173 P174 E175 W180 I181 S182F173-K178 HydrophobicContact CB-CG 3.88Å; F173-K178 WeakPolarHBondContact O-CE 3.31Å; P174-K178 PolarHBondContact O-N 2.9Å; E175-K178 PolarHBondContact O-N 2.94Å; E175-K178 IonicContact OE1-NZ 2.73Å; E175-K178 PolarHBondContact OE1-NZ 3.12Å; K178-W180 VanDerWaalsContact C-N 3.33Å; K178-W180 PolarHBondContact O-N 3.38Å; K178-I181 PolarHBondContact O-N 3.25Å; K178-S182 PolarHBondContact O-N 2.89Å
179H98Very high95.5Very high131 Ų13174.9 Ų74.961%0.60639%0.393SS*.Hα-helixtrans-62.3-41.7176-67.7-27.1000111.9E175 E176 S182 F183E175-H179 PolarHBondContact O-CD2 3.02Å; E175-H179 PolarHBondContact O-N 3.49Å; E176-H179 PolarHBondContact O-N 3.19Å; H179-S182 WeakPolarHBondContact O-CB 3.4Å; H179-S182 PolarHBondContact O-N 3.03Å; H179-F183 PolarHBondContact O-N 2.85Å
180W98.1Very high95.7Very high20 Ų2069.8 Ų69.88%0.07638%0.381CS..Hα-helixtrans-63.7-41.7176-176.773000112.5A98 T100 Y128 L146 R148 E176 L177 K178 S182 F183 I184A98-W180 HydrophobicContact CB-CH2 4.05Å; A98-W180 HydrophobicContact CB-CZ2 4.02Å; T100-W180 VanDerWaalsContact CB-NE1 3.3Å; T100-W180 PolarHBondContact OG1-NE1 3.44Å; Y128-W180 AromaticContact CD1-CZ3 3.89Å; Y128-W180 HydrophobicContact CD1-CZ3 3.89Å; Y128-W180 HydrophobicContact CE1-CZ3 4.07Å; L146-W180 HydrophobicContact CB-CD2 4.02Å; L146-W180 HydrophobicContact CB-CE3 4.34Å; L146-W180 HydrophobicContact CB-CG 4.45Å; L146-W180 HydrophobicContact CB-CH2 4.48Å; L146-W180 HydrophobicContact CB-CZ2 4.2Å; L146-W180 HydrophobicContact CD1-CB 3.85Å; L146-W180 HydrophobicContact CD1-CD2 4.05Å; L146-W180 HydrophobicContact CD1-CG 3.71Å; R148-W180 HydrophobicContact CB-CH2 3.67Å; R148-W180 HydrophobicContact CB-CZ3 3.98Å; E176-W180 WeakPolarHBondContact O-CB 3.37Å; E176-W180 PolarHBondContact O-N 3.35Å; L177-W180 HydrophobicContact CD1-CE3 3.86Å; L177-W180 HydrophobicContact CD1-CZ3 4.39Å; L177-W180 PolarHBondContact O-N 3.22Å; K178-W180 VanDerWaalsContact C-N 3.33Å; K178-W180 PolarHBondContact O-N 3.38Å; W180-S182 VanDerWaalsContact C-N 3.32Å; W180-S182 PolarHBondContact O-N 2.95Å; W180-F183 WeakPolarHBondContact O-CB 3.31Å; W180-F183 PolarHBondContact O-N 2.93Å; W180-I184 HydrophobicContact CD2-CG2 4.41Å; W180-I184 HydrophobicContact CE3-CD1 4.14Å; W180-I184 HydrophobicContact CH2-CD1 4Å; W180-I184 HydrophobicContact CZ2-CD1 4.43Å; W180-I184 HydrophobicContact CZ2-CG2 4.04Å; W180-I184 HydrophobicContact CZ3-CD1 3.82Å; W180-I184 PolarHBondContact O-N 3Å
181I97.9Very high95.8Very high30 Ų3072.9 Ų72.915%0.15439%0.394CS..Hα-helixtrans-61.3-41.4173.9-70.9168.7000110.9Y128 F173 L177 K178 I184 S185Y128-I181 HydrophobicContact CD1-CD1 4.15Å; Y128-I181 HydrophobicContact CD1-CG1 4.24Å; Y128-I181 HydrophobicContact CD2-CD1 4.48Å; Y128-I181 HydrophobicContact CE1-CD1 3.7Å; Y128-I181 HydrophobicContact CE1-CG1 3.62Å; Y128-I181 HydrophobicContact CE2-CD1 4.09Å; Y128-I181 HydrophobicContact CG-CD1 4.5Å; F173-I181 HydrophobicContact CD2-CD1 3.61Å; F173-I181 HydrophobicContact CE2-CD1 3.62Å; L177-I181 HydrophobicContact CD1-CD1 4.06Å; L177-I181 HydrophobicContact CD1-CG1 4.16Å; L177-I181 HydrophobicContact CD2-CD1 4.47Å; L177-I181 HydrophobicContact CG-CD1 3.85Å; L177-I181 HydrophobicContact CG-CG1 4.38Å; L177-I181 WeakPolarHBondContact O-CB 3.29Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.42Å; L177-I181 PolarHBondContact O-N 2.9Å; K178-I181 PolarHBondContact O-N 3.25Å; I181-I184 VanDerWaalsContact O-CG1 3.22Å; I181-I184 WeakPolarHBondContact O-CG1 3.34Å; I181-S185 VanDerWaalsContact O-CB 3.25Å; I181-S185 WeakPolarHBondContact O-CB 3.35Å; I181-S185 PolarHBondContact O-N 3.15Å; I181-S185 PolarHBondContact O-OG 2.88Å
182S97.8Very high95.6Very high78 Ų7877.5 Ų77.555%0.54541%0.406SS..Hα-helixtrans-62.4-43.8175.4-171.90000111.4K178 H179 W180 S185 A186K178-S182 PolarHBondContact O-N 2.89Å; H179-S182 WeakPolarHBondContact O-CB 3.4Å; H179-S182 PolarHBondContact O-N 3.03Å; W180-S182 VanDerWaalsContact C-N 3.32Å; W180-S182 PolarHBondContact O-N 2.95Å; S182-S185 PolarHBondContact O-N 3.31Å; S182-A186 WeakPolarHBondContact O-CB 3.49Å; S182-A186 PolarHBondContact O-N 3.17Å
183F97.3Very high95.4Very high130 Ų13072.4 Ų72.457%0.5739%0.391SS*.Hα-helixtrans-58.9-52177.3164.6-101.8000112H179 W180 S185 A186 S187H179-F183 PolarHBondContact O-N 2.85Å; W180-F183 WeakPolarHBondContact O-CB 3.31Å; W180-F183 PolarHBondContact O-N 2.93Å; F183-S185 VanDerWaalsContact C-N 3.31Å; F183-S185 PolarHBondContact O-N 3.17Å; F183-A186 PolarHBondContact O-N 3.43Å; F183-S187 PolarHBondContact O-N 3.24Å; F183-S187 VanDerWaalsContact O-N 3.1Å
184I97.1Very high95.2Very high23 Ų2377.9 Ų77.912%0.11842%0.417CS..Hα-helixtrans-67.5-32.3179.865-179.7000112.2A98 W180 I181 S188A98-I184 HydrophobicContact CB-CB 4.5Å; A98-I184 HydrophobicContact CB-CD1 4.23Å; A98-I184 HydrophobicContact CB-CG2 4.03Å; W180-I184 HydrophobicContact CD2-CG2 4.41Å; W180-I184 HydrophobicContact CE3-CD1 4.14Å; W180-I184 HydrophobicContact CH2-CD1 4Å; W180-I184 HydrophobicContact CZ2-CD1 4.43Å; W180-I184 HydrophobicContact CZ2-CG2 4.04Å; W180-I184 HydrophobicContact CZ3-CD1 3.82Å; W180-I184 PolarHBondContact O-N 3Å; I181-I184 VanDerWaalsContact O-CG1 3.22Å; I181-I184 WeakPolarHBondContact O-CG1 3.34Å; I184-S188 VanDerWaalsContact O-CB 3.31Å; I184-S188 WeakPolarHBondContact O-CB 3.45Å; I184-S188 PolarHBondContact O-N 2.88Å
185S95.4Very high94.9Very high50 Ų5077.9 Ų77.935%0.3542%0.419SS..Hα-helixtrans-69.5-44178.1-61.70000111.7I181 S182 F183 S187 S188 Q189I181-S185 VanDerWaalsContact O-CB 3.25Å; I181-S185 WeakPolarHBondContact O-CB 3.35Å; I181-S185 PolarHBondContact O-N 3.15Å; I181-S185 PolarHBondContact O-OG 2.88Å; S182-S185 PolarHBondContact O-N 3.31Å; F183-S185 VanDerWaalsContact C-N 3.31Å; F183-S185 PolarHBondContact O-N 3.17Å; S185-S187 PolarHBondContact O-N 2.92Å; S185-S188 PolarHBondContact O-N 3.2Å; S185-Q189 WeakPolarHBondContact O-CG 3.49Å; S185-Q189 PolarHBondContact O-N 3.41Å
186A96.3Very high94Very high53 Ų5375.7 Ų75.744%0.43843%0.426SS..Hα-helixtrans-60.4-45.4174.900000111.3S182 F183 S188 Q189 A190S182-A186 WeakPolarHBondContact O-CB 3.49Å; S182-A186 PolarHBondContact O-N 3.17Å; F183-A186 PolarHBondContact O-N 3.43Å; A186-S188 VanDerWaalsContact C-N 3.33Å; A186-S188 PolarHBondContact O-N 3.26Å; A186-Q189 PolarHBondContact O-N 3.17Å; A186-A190 PolarHBondContact O-N 3.13Å
187S94.9Very high92.7Very high58 Ų5875.7 Ų75.741%0.40643%0.428SS..Hα-helixtrans-59.3-43.7174.41770000111.8F183 S185 Q189 A190 L191F183-S187 PolarHBondContact O-N 3.24Å; F183-S187 VanDerWaalsContact O-N 3.1Å; S185-S187 PolarHBondContact O-N 2.92Å; S187-Q189 PolarHBondContact O-N 2.94Å; S187-A190 PolarHBondContact O-N 3.42Å; S187-L191 WeakPolarHBondContact O-CG 3.43Å; S187-L191 PolarHBondContact O-N 2.86Å; S187-L191 VanDerWaalsContact O-N 3.09Å
188S92.9Very high90.8Very high43 Ų4382.3 Ų82.330%0.30146%0.459SS..Hα-helixtrans-66.2-35.5179-169.50000113.2I184 S185 A186 R192I184-S188 VanDerWaalsContact O-CB 3.31Å; I184-S188 WeakPolarHBondContact O-CB 3.45Å; I184-S188 PolarHBondContact O-N 2.88Å; S185-S188 PolarHBondContact O-N 3.2Å; A186-S188 VanDerWaalsContact C-N 3.33Å; A186-S188 PolarHBondContact O-N 3.26Å; S188-R192 WeakPolarHBondContact O-CG 3.35Å; S188-R192 PolarHBondContact O-N 3.48Å; S188-R192 PolarHBondContact O-NH1 3.39Å; S188-R192 PolarHBondContact OG-NH1 3.36Å; S188-R192 PolarHBondContact OG-NH2 3.5Å
189Q93.1Very high88.7Confident134 Ų13484.3 Ų84.363%0.62647%0.474SS*.Hα-helixtrans-68.5-46.6175.6-73.5171.33.700111.3S185 A186 S187 L191 R192 A193S185-Q189 WeakPolarHBondContact O-CG 3.49Å; S185-Q189 PolarHBondContact O-N 3.41Å; A186-Q189 PolarHBondContact O-N 3.17Å; S187-Q189 PolarHBondContact O-N 2.94Å; Q189-L191 VanDerWaalsContact C-N 3.33Å; Q189-L191 PolarHBondContact O-N 2.78Å; Q189-R192 PolarHBondContact O-N 3.24Å; Q189-R192 VanDerWaalsContact O-N 3.14Å; Q189-A193 PolarHBondContact O-N 3.34Å
190A93.2Very high86.5Confident63 Ų6386.5 Ų86.552%0.52148%0.482SS..Hα-helixtrans-57.9-44.6177.700000112.1A186 S187 R192 A193 E194A186-A190 PolarHBondContact O-N 3.13Å; S187-A190 PolarHBondContact O-N 3.42Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 3.49Å; A190-A193 PolarHBondContact O-N 2.91Å; A190-E194 PolarHBondContact O-N 3.27Å
191L93.1Very high83.8Confident102 Ų10293.4 Ų93.453%0.53452%0.52SS..Hα-helixtrans-65.6-33.8177.6-69.9170.2000112.9S187 Q189 S195S187-L191 WeakPolarHBondContact O-CG 3.43Å; S187-L191 PolarHBondContact O-N 2.86Å; S187-L191 VanDerWaalsContact O-N 3.09Å; Q189-L191 VanDerWaalsContact C-N 3.33Å; Q189-L191 PolarHBondContact O-N 2.78Å; L191-S195 WeakPolarHBondContact O-CB 3.38Å; L191-S195 PolarHBondContact O-N 3.42Å; L191-S195 VanDerWaalsContact O-N 3.09Å; L191-S195 PolarHBondContact O-OG 2.88Å
192R90.1Very high81Confident141 Ų141104 Ų10453%0.53257%0.565SS.*Hα-helixtrans-67.2-45.6174.6-77.9-172-17286.74.7111.4S188 Q189 A190 E194 S195 G196S188-R192 WeakPolarHBondContact O-CG 3.35Å; S188-R192 PolarHBondContact O-N 3.48Å; S188-R192 PolarHBondContact O-NH1 3.39Å; S188-R192 PolarHBondContact OG-NH1 3.36Å; S188-R192 PolarHBondContact OG-NH2 3.5Å; Q189-R192 PolarHBondContact O-N 3.24Å; Q189-R192 VanDerWaalsContact O-N 3.14Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 3.49Å; R192-E194 VanDerWaalsContact C-N 3.34Å; R192-E194 PolarHBondContact O-N 2.96Å; R192-S195 WeakPolarHBondContact CA-OG 3.43Å; R192-S195 PolarHBondContact O-N 3.02Å; R192-S195 PolarHBondContact O-OG 2.93Å; R192-G196 PolarHBondContact O-N 3.21Å
193A90.4Very high80.2Confident53 Ų53105.3 Ų105.344%0.43857%0.566SS.*Hα-helixtrans-59.5-44.6176.600000111.4Q189 A190 S195 G196 E198Q189-A193 PolarHBondContact O-N 3.34Å; A190-A193 PolarHBondContact O-N 2.91Å; A193-S195 VanDerWaalsContact C-N 3.31Å; A193-S195 PolarHBondContact O-N 2.95Å; A193-G196 PolarHBondContact O-N 2.93Å; A193-E198 WeakPolarHBondContact CA-OE1 3.45Å; A193-E198 WeakPolarHBondContact CB-OE1 3.41Å
194E91.9Very high79.3Confident162 Ų162103.9 Ų103.976%0.75757%0.566SS**Hα-helixtrans-60.2-39.8175.8-174.8-179.9178.300112.4A190 R192 G196A190-E194 PolarHBondContact O-N 3.27Å; R192-E194 VanDerWaalsContact C-N 3.34Å; R192-E194 PolarHBondContact O-N 2.96Å; E194-G196 VanDerWaalsContact C-N 3.27Å; E194-G196 PolarHBondContact O-N 3.43Å
195S88.1Confident78.3Confident61 Ų61108.4 Ų108.443%0.42759%0.59SS.*Hα-helixtrans-74.9-10.4-177.869.10000114.9L191 R192 A193 L197L191-S195 WeakPolarHBondContact O-CB 3.38Å; L191-S195 PolarHBondContact O-N 3.42Å; L191-S195 VanDerWaalsContact O-N 3.09Å; L191-S195 PolarHBondContact O-OG 2.88Å; R192-S195 WeakPolarHBondContact CA-OG 3.43Å; R192-S195 PolarHBondContact O-N 3.02Å; R192-S195 PolarHBondContact O-OG 2.93Å; A193-S195 VanDerWaalsContact C-N 3.31Å; A193-S195 PolarHBondContact O-N 2.95Å; S195-L197 PolarHBondContact O-N 3.17Å; S195-L197 WeakPolarHBondContact OG-CB 3.28Å; S195-L197 WeakPolarHBondContact OG-CD1 3.36Å; S195-L197 WeakPolarHBondContact OG-CG 3.48Å; S195-L197 PolarHBondContact OG-N 3.37Å
196G77.9Confident77.3Confident64 Ų64111.9 Ų111.966%0.6661%0.605SS**THydrogen-bonded Turntrans6317.4-174.400000114.2R192 A193 E194 E198R192-G196 PolarHBondContact O-N 3.21Å; A193-G196 PolarHBondContact O-N 2.93Å; E194-G196 VanDerWaalsContact C-N 3.27Å; E194-G196 PolarHBondContact O-N 3.43Å; G196-E198 VanDerWaalsContact C-N 3.28Å; G196-E198 PolarHBondContact O-N 3.4Å
197L68.1Low76.1Confident109 Ų109115.6 Ų115.657%0.57162%0.615SS**  trans-88.117.5-177.6-67.5173.5000113.5S195 D199S195-L197 PolarHBondContact O-N 3.17Å; S195-L197 WeakPolarHBondContact OG-CB 3.28Å; S195-L197 WeakPolarHBondContact OG-CD1 3.36Å; S195-L197 WeakPolarHBondContact OG-CG 3.48Å; S195-L197 PolarHBondContact OG-N 3.37Å; L197-D199 PolarHBondContact O-N 3.18Å; L197-D199 VanDerWaalsContact O-N 3.07Å
198E58.3Low74.9Confident141 Ų141119.4 Ų119.466%0.65963%0.629SS**THydrogen-bonded Turntrans-63-18-169.7-67.8-168.4150.200114.8A193 G196A193-E198 WeakPolarHBondContact CA-OE1 3.45Å; A193-E198 WeakPolarHBondContact CB-OE1 3.41Å; G196-E198 VanDerWaalsContact C-N 3.28Å; G196-E198 PolarHBondContact O-N 3.4Å
199D53.9Low73.6Confident125 Ų125124.9 Ų124.967%0.66865%0.652SS**THydrogen-bonded Turntrans-132.121.8-166-97.4-30.4000117.1L197L197-D199 PolarHBondContact O-N 3.18Å; L197-D199 VanDerWaalsContact O-N 3.07Å
200K50.4Low72.1Confident177 Ų177124.2 Ų124.277%0.7765%0.654SS**SBendtrans-94.5-5.7179.8-77.5-169.7178.9179.70117.1
201N42.6Very low70.3Confident164 Ų164129.3 Ų129.388%0.87767%0.666SS**  trans-131.759.6-179.9-76.2-15.8000112.1
202K38.9Very low68.2Low252 Ų252131.7 Ų131.7100%1.09668%0.678SS**  trans-96.40152.4-84.2179.9-178.8158.20109

Retrieved 202 of 202 residues in 132.4 ms (Link to these results)

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