A0A077Z1E1_TRITR Loading...

Serine/threonine-protein phosphatase

Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A077Z1E1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 302 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
1M32.4Very low60.1Low228 Ų228100.5 Ų100.5100%1.12354%0.538SS*.  0137.10-65-170.5179.200107.1R3M1-R3 PolarHBondContact O-N 3.36Å
2P37.4Very low63Low128 Ų12894.2 Ų94.283%0.83150%0.503SS*.PPolyproline II helixtrans-58.1128.2161.5-5.922.2000105.8
3R49.5Very low65.3Low193 Ų19387.1 Ų87.173%0.72847%0.466SS*.PPolyproline II helixtrans-58.5143175.9-66.2-178.4-173.5-178.71.1107.5M1 P5M1-R3 PolarHBondContact O-N 3.36Å; R3-P5 VanDerWaalsContact O-CD 3.28Å; R3-P5 WeakPolarHBondContact O-CD 3.28Å; R3-P5 VanDerWaalsContact O-N 3.08Å
4D58.1Low67.4Low94 Ų9482.4 Ų82.450%0.50345%0.449SS..PPolyproline II helixtrans-54.7116.6170.7178.4-0.1000107.4D6 D7 N10D4-D6 PolarHBondContact O-N 3.37Å; D4-D6 PolarHBondContact OD1-N 3.36Å; D4-D7 HydrophobicContact CB-CB 4.06Å; D4-D7 WeakPolarHBondContact O-CB 3.36Å; D4-D7 PolarHBondContact O-N 3.05Å; D4-N10 PolarHBondContact O-ND2 2.76Å
5P57Low69.3Low39 Ų3977.1 Ų77.125%0.25342%0.42SS..THydrogen-bonded Turntrans-59.9-25-177.819.8-27.3000111.7R3 G13 L108 F109R3-P5 VanDerWaalsContact O-CD 3.28Å; R3-P5 WeakPolarHBondContact O-CD 3.28Å; R3-P5 VanDerWaalsContact O-N 3.08Å; P5-G13 WeakPolarHBondContact O-CA 3.43Å; P5-L108 HydrophobicContact CB-CD2 3.73Å; P5-F109 HydrophobicContact CB-CE1 3.78Å; P5-F109 HydrophobicContact CB-CZ 3.98Å; P5-F109 HydrophobicContact CG-CE1 3.61Å; P5-F109 HydrophobicContact CG-CZ 4.02Å
6D57.4Low71Confident92 Ų9272.4 Ų72.449%0.49239%0.394SS..THydrogen-bonded Turntrans-90.11.7177.5-60.1-36.3000112.9D4 P8D4-D6 PolarHBondContact O-N 3.37Å; D4-D6 PolarHBondContact OD1-N 3.36Å; D6-P8 WeakPolarHBondContact O-CD 3.37Å; D6-P8 VanDerWaalsContact O-N 3.12Å
7D63.4Low72.4Confident55 Ų5571 Ų7129%0.29440%0.395SS..  trans-66.3109.3174.4-178.7-4.8000109.6D4 S9 N10D4-D7 HydrophobicContact CB-CB 4.06Å; D4-D7 WeakPolarHBondContact O-CB 3.36Å; D4-D7 PolarHBondContact O-N 3.05Å; D7-S9 PolarHBondContact O-N 3.19Å; D7-S9 WeakPolarHBondContact OD1-CB 3.1Å; D7-S9 PolarHBondContact OD1-N 2.89Å; D7-S9 PolarHBondContact OD1-OG 2.99Å; D7-S9 PolarHBondContact OD2-OG 2.92Å; D7-N10 PolarHBondContact O-N 2.79Å; D7-N10 PolarHBondContact O-ND2 2.93Å; D7-N10 VanDerWaalsContact O-ND2 3.17Å
8P62.8Low73.7Confident94 Ų9470.2 Ų70.261%0.6139%0.387SS*.THydrogen-bonded Turntrans-66.3-9.4-177.730.1-35.4000112.4D6 N10D6-P8 WeakPolarHBondContact O-CD 3.37Å; D6-P8 VanDerWaalsContact O-N 3.12Å; P8-N10 VanDerWaalsContact C-N 3.28Å
9S62.6Low74.8Confident99 Ų9966.9 Ų66.969%0.69237%0.369SS*.THydrogen-bonded Turntrans-75.8-14.6173.481.90000113.6D7D7-S9 PolarHBondContact O-N 3.19Å; D7-S9 WeakPolarHBondContact OD1-CB 3.1Å; D7-S9 PolarHBondContact OD1-N 2.89Å; D7-S9 PolarHBondContact OD1-OG 2.99Å; D7-S9 PolarHBondContact OD2-OG 2.92Å
10N87.2Confident75.7Confident20 Ų2068.8 Ų68.811%0.10737%0.371CS..SBendtrans-96.1150.8173.890.856.8000110.7D4 D7 P8 L12 G13 G14D4-N10 PolarHBondContact O-ND2 2.76Å; D7-N10 PolarHBondContact O-N 2.79Å; D7-N10 PolarHBondContact O-ND2 2.93Å; D7-N10 VanDerWaalsContact O-ND2 3.17Å; P8-N10 VanDerWaalsContact C-N 3.28Å; N10-L12 PolarHBondContact O-N 3.22Å; N10-L12 PolarHBondContact OD1-N 2.79Å; N10-L12 VanDerWaalsContact OD1-N 3.08Å; N10-G13 PolarHBondContact O-N 3.24Å; N10-G13 PolarHBondContact OD1-N 3.14Å; N10-G14 PolarHBondContact O-N 2.86Å
11F93.1Very high76.6Confident64 Ų6468.1 Ų68.128%0.28138%0.376SS..Hα-helixtrans-52.6-52.7-175175.8-95.8000113.2G14 L15 E29 E32 K36F11-G14 PolarHBondContact O-N 2.8Å; F11-L15 HydrophobicContact CD1-CD1 4.12Å; F11-L15 HydrophobicContact CD1-CG 4.48Å; F11-L15 HydrophobicContact CE1-CD1 3.41Å; F11-L15 VanDerWaalsContact CE1-CD1 3.41Å; F11-L15 HydrophobicContact CE1-CG 4.18Å; F11-L15 HydrophobicContact CE2-CD1 4.2Å; F11-L15 HydrophobicContact CE2-CD2 4.47Å; F11-L15 HydrophobicContact CE2-CG 4.44Å; F11-L15 HydrophobicContact CZ-CD1 3.46Å; F11-L15 VanDerWaalsContact CZ-CD1 3.46Å; F11-L15 HydrophobicContact CZ-CD2 4.49Å; F11-L15 HydrophobicContact CZ-CG 4.16Å; F11-L15 WeakPolarHBondContact O-CG 3.42Å; F11-L15 PolarHBondContact O-N 3.03Å; F11-L15 VanDerWaalsContact O-N 3.08Å; F11-E29 HydrophobicContact CE2-CG 4.4Å; F11-E29 HydrophobicContact CZ-CB 4.5Å; F11-E32 HydrophobicContact CE1-CB 4.26Å; F11-E32 HydrophobicContact CE1-CG 3.79Å; F11-E32 HydrophobicContact CE2-CB 4.32Å; F11-E32 HydrophobicContact CE2-CG 4.16Å; F11-E32 WeakPolarHBondContact CE2-OE2 3.41Å; F11-E32 HydrophobicContact CZ-CB 3.65Å; F11-E32 HydrophobicContact CZ-CG 3.55Å; F11-K36 HydrophobicContact CD1-CD 4.06Å; F11-K36 HydrophobicContact CE1-CD 4.16Å; F11-K36 VanDerWaalsContact CE1-CE 3.41Å
12L95.1Very high79.6Confident24 Ų2461 Ų6113%0.12634%0.337CS..Hα-helixtrans-68.8-38-176.2-69.2175.6000112.3N10 G14 L15 L16 L33 K36 L104 L108N10-L12 PolarHBondContact O-N 3.22Å; N10-L12 PolarHBondContact OD1-N 2.79Å; N10-L12 VanDerWaalsContact OD1-N 3.08Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 2.92Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 2.98Å; L12-L33 HydrophobicContact CD2-CD1 3.85Å; L12-K36 HydrophobicContact CD1-CD 4.32Å; L12-K36 HydrophobicContact CD2-CD 3.89Å; L12-K36 HydrophobicContact CG-CD 4.12Å; L12-L104 HydrophobicContact CD2-CD2 3.96Å; L12-L108 HydrophobicContact CB-CD2 3.51Å; L12-L108 HydrophobicContact CB-CG 4.07Å; L12-L108 HydrophobicContact CD1-CD2 3.87Å; L12-L108 HydrophobicContact CD1-CG 4.22Å; L12-L108 HydrophobicContact CG-CD2 4.33Å
13G92.9Very high82.3Confident2 Ų260.5 Ų60.52%0.02132%0.324CS..Hα-helixtrans-63.4-40.2175.100000111.9P5 N10 L16 A17P5-G13 WeakPolarHBondContact O-CA 3.43Å; N10-G13 PolarHBondContact O-N 3.24Å; N10-G13 PolarHBondContact OD1-N 3.14Å; G13-L16 PolarHBondContact O-N 2.86Å; G13-A17 PolarHBondContact O-N 2.91Å
14G94.6Very high84.3Confident22 Ų2256.5 Ų56.523%0.22731%0.314CS..Hα-helixtrans-61.4-44.2172.800000113N10 F11 L12 A17 K18N10-G14 PolarHBondContact O-N 2.86Å; F11-G14 PolarHBondContact O-N 2.8Å; L12-G14 VanDerWaalsContact C-N 3.34Å; G14-A17 PolarHBondContact O-N 2.82Å; G14-K18 PolarHBondContact O-N 3.13Å
15L96.9Very high86.1Confident2 Ų252.5 Ų52.51%0.0129%0.293CS..Hα-helixtrans-67.5-35.5176.2-62.3-166.4000112.9F11 L12 K18 S19 L25 E29 L33 L104F11-L15 HydrophobicContact CD1-CD1 4.12Å; F11-L15 HydrophobicContact CD1-CG 4.48Å; F11-L15 HydrophobicContact CE1-CD1 3.41Å; F11-L15 VanDerWaalsContact CE1-CD1 3.41Å; F11-L15 HydrophobicContact CE1-CG 4.18Å; F11-L15 HydrophobicContact CE2-CD1 4.2Å; F11-L15 HydrophobicContact CE2-CD2 4.47Å; F11-L15 HydrophobicContact CE2-CG 4.44Å; F11-L15 HydrophobicContact CZ-CD1 3.46Å; F11-L15 VanDerWaalsContact CZ-CD1 3.46Å; F11-L15 HydrophobicContact CZ-CD2 4.49Å; F11-L15 HydrophobicContact CZ-CG 4.16Å; F11-L15 WeakPolarHBondContact O-CG 3.42Å; F11-L15 PolarHBondContact O-N 3.03Å; F11-L15 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 2.92Å; L15-K18 HydrophobicContact CD2-CD 4.49Å; L15-K18 PolarHBondContact O-N 3.2Å; L15-S19 PolarHBondContact O-N 3.06Å; L15-S19 PolarHBondContact O-OG 3.36Å; L15-L25 HydrophobicContact CB-CD2 4.38Å; L15-L25 HydrophobicContact CD1-CD2 3.81Å; L15-L25 HydrophobicContact CD2-CD2 4.01Å; L15-L25 HydrophobicContact CD2-CG 4.03Å; L15-L25 HydrophobicContact CG-CD2 4.27Å; L15-E29 HydrophobicContact CD1-CB 4.44Å; L15-E29 HydrophobicContact CD2-CB 3.8Å; L15-E29 HydrophobicContact CD2-CG 3.96Å; L15-L33 HydrophobicContact CD1-CB 4.06Å; L15-L104 HydrophobicContact CB-CD1 4.21Å; L15-L104 HydrophobicContact CB-CD2 3.53Å; L15-L104 HydrophobicContact CD1-CD2 4.15Å; L15-L104 HydrophobicContact CG-CD2 4.46Å
16L95.7Very high88Confident2 Ų255.5 Ų55.51%0.0131%0.306CS..Hα-helixtrans-65-43.8174.9-17463.1000111.1L12 G13 K18 S19 Y20 L101 L104 F105 L108L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 2.98Å; G13-L16 PolarHBondContact O-N 2.86Å; L16-K18 VanDerWaalsContact C-N 3.35Å; L16-K18 PolarHBondContact O-N 3.15Å; L16-S19 PolarHBondContact O-N 3.42Å; L16-S19 VanDerWaalsContact O-N 3.16Å; L16-Y20 HydrophobicContact CD1-CD1 4.4Å; L16-Y20 HydrophobicContact CD1-CE1 3.78Å; L16-Y20 HydrophobicContact CD1-CE2 4.01Å; L16-Y20 HydrophobicContact CD2-CE2 3.92Å; L16-Y20 HydrophobicContact CG-CD2 4.17Å; L16-Y20 HydrophobicContact CG-CE1 4.32Å; L16-Y20 HydrophobicContact CG-CE2 3.62Å; L16-Y20 PolarHBondContact O-N 3.2Å; L16-L101 HydrophobicContact CD1-CD1 3.83Å; L16-L104 HydrophobicContact CD1-CB 4.49Å; L16-L104 HydrophobicContact CD1-CD1 4.47Å; L16-F105 HydrophobicContact CD1-CE1 3.94Å; L16-F105 HydrophobicContact CD1-CZ 4.31Å; L16-F105 HydrophobicContact CD2-CE1 4.46Å; L16-L108 HydrophobicContact CB-CD1 4.41Å; L16-L108 HydrophobicContact CD2-CD1 3.75Å
17A94.7Very high89.9Confident49 Ų4954.6 Ų54.641%0.40530%0.299SS..Hα-helixtrans-60-42.7174.400000112.2G13 G14 Y20 A21G13-A17 PolarHBondContact O-N 2.91Å; G14-A17 PolarHBondContact O-N 2.82Å; A17-Y20 PolarHBondContact O-N 3.49Å; A17-A21 WeakPolarHBondContact O-CB 3.48Å; A17-A21 PolarHBondContact O-N 2.83Å
18K95.9Very high91.6Very high56 Ų5656 Ų5624%0.24331%0.314CS..Hα-helixtrans-58.4-47.2172.1-75.6-176.9173.9-174.30111.6G14 L15 L16 Y20 A21 Y22 M23 L25 E29G14-K18 PolarHBondContact O-N 3.13Å; L15-K18 HydrophobicContact CD2-CD 4.49Å; L15-K18 PolarHBondContact O-N 3.2Å; L16-K18 VanDerWaalsContact C-N 3.35Å; L16-K18 PolarHBondContact O-N 3.15Å; K18-Y20 PolarHBondContact O-N 2.93Å; K18-A21 CarbonylContact O-C 3.3Å; K18-A21 PolarHBondContact O-N 3.32Å; K18-A21 VanDerWaalsContact O-N 3.13Å; K18-Y22 PolarHBondContact O-N 2.85Å; K18-Y22 VanDerWaalsContact O-N 3.1Å; K18-M23 HydrophobicContact CB-CB 4.13Å; K18-M23 HydrophobicContact CG-CB 4.42Å; K18-M23 PolarHBondContact O-N 2.94Å; K18-L25 HydrophobicContact CB-CD1 4.3Å; K18-E29 IonicContact NZ-OE1 3.75Å; K18-E29 PolarHBondContact NZ-OE1 3.25Å; K18-E29 IonicContact NZ-OE2 3.8Å; K18-E29 PolarHBondContact NZ-OE2 3.07Å
19S95.2Very high93.3Very high9 Ų953.3 Ų53.36%0.06329%0.293CS..Hα-helixtrans-62-43.2-179.1-58.70000112.1L15 L16 A21 Y22 F64 L104L15-S19 PolarHBondContact O-N 3.06Å; L15-S19 PolarHBondContact O-OG 3.36Å; L16-S19 PolarHBondContact O-N 3.42Å; L16-S19 VanDerWaalsContact O-N 3.16Å; S19-A21 VanDerWaalsContact C-N 3.29Å; S19-A21 PolarHBondContact O-N 2.81Å; S19-Y22 PolarHBondContact O-N 3.36Å; S19-F64 WeakPolarHBondContact O-CZ 3.2Å; S19-L104 WeakPolarHBondContact OG-CD1 3.29Å
20Y92.9Very high95Very high103 Ų10348.6 Ų48.640%0.40426%0.26SS..Hα-helixtrans-65.5-32.6174.6-67.9-23.7000113.2L16 A17 K18 Y22 W76 L101 F105L16-Y20 HydrophobicContact CD1-CD1 4.4Å; L16-Y20 HydrophobicContact CD1-CE1 3.78Å; L16-Y20 HydrophobicContact CD1-CE2 4.01Å; L16-Y20 HydrophobicContact CD2-CE2 3.92Å; L16-Y20 HydrophobicContact CG-CD2 4.17Å; L16-Y20 HydrophobicContact CG-CE1 4.32Å; L16-Y20 HydrophobicContact CG-CE2 3.62Å; L16-Y20 PolarHBondContact O-N 3.2Å; A17-Y20 PolarHBondContact O-N 3.49Å; K18-Y20 PolarHBondContact O-N 2.93Å; Y20-Y22 PolarHBondContact O-N 2.85Å; Y20-W76 HydrophobicContact CE1-CH2 4.26Å; Y20-W76 AromaticContact CE1-CZ3 3.75Å; Y20-W76 HydrophobicContact CE1-CZ3 3.75Å; Y20-L101 HydrophobicContact CE1-CD1 4.16Å; Y20-F105 HydrophobicContact CE1-CZ 4.19Å; Y20-F105 WeakPolarHBondContact OH-CE1 3.34Å; Y20-F105 WeakPolarHBondContact OH-CZ 3.36Å
21A94.1Very high95.5Very high56 Ų5650 Ų5046%0.46327%0.269SS..THydrogen-bonded Turntrans-815.3173.500000113.4A17 K18 S19 M23A17-A21 WeakPolarHBondContact O-CB 3.48Å; A17-A21 PolarHBondContact O-N 2.83Å; K18-A21 CarbonylContact O-C 3.3Å; K18-A21 PolarHBondContact O-N 3.32Å; K18-A21 VanDerWaalsContact O-N 3.13Å; S19-A21 VanDerWaalsContact C-N 3.29Å; S19-A21 PolarHBondContact O-N 2.81Å; A21-M23 HydrophobicContact CB-CE 3.9Å; A21-M23 HydrophobicContact CB-CG 3.97Å; A21-M23 HydrophobicContact CB-SD 4.2Å; A21-M23 PolarHBondContact O-N 3.37Å
22Y94.3Very high95.7Very high79 Ų7950.9 Ų50.931%0.3127%0.274SS..THydrogen-bonded Turntrans52.939-176-163.1-114.4000112.6K18 S19 Y20 F64 F65 Q94 E97 P302K18-Y22 PolarHBondContact O-N 2.85Å; K18-Y22 VanDerWaalsContact O-N 3.1Å; S19-Y22 PolarHBondContact O-N 3.36Å; Y20-Y22 PolarHBondContact O-N 2.85Å; Y22-F64 AromaticContact CD2-CD1 3.7Å; Y22-F64 HydrophobicContact CD2-CD1 3.7Å; Y22-F64 AromaticContact CD2-CE1 3.58Å; Y22-F64 HydrophobicContact CD2-CE1 3.58Å; Y22-F64 HydrophobicContact CD2-CZ 4.44Å; Y22-F64 AromaticContact CE2-CD1 3.74Å; Y22-F64 HydrophobicContact CE2-CD1 3.74Å; Y22-F64 HydrophobicContact CE2-CE1 4.12Å; Y22-F64 HydrophobicContact CE2-CG 4.44Å; Y22-F65 HydrophobicContact CD1-CZ 4.14Å; Y22-F65 HydrophobicContact CD2-CE1 4.17Å; Y22-F65 AromaticContact CD2-CZ 3.95Å; Y22-F65 HydrophobicContact CD2-CZ 3.95Å; Y22-F65 HydrophobicContact CE1-CZ 4.05Å; Y22-F65 HydrophobicContact CE2-CE1 4.39Å; Y22-F65 HydrophobicContact CE2-CE2 4.33Å; Y22-F65 AromaticContact CE2-CZ 3.83Å; Y22-F65 HydrophobicContact CE2-CZ 3.83Å; Y22-F65 HydrophobicContact CG-CE1 4.39Å; Y22-F65 HydrophobicContact CG-CZ 4.11Å; Y22-F65 AromaticContact CZ-CZ 3.89Å; Y22-Q94 PolarHBondContact OH-NE2 2.91Å; Y22-E97 HydrophobicContact CD2-CG 4.3Å; Y22-E97 HydrophobicContact CE2-CG 3.79Å; Y22-P302 HydrophobicContact CD1-CG 4.12Å; Y22-P302 HydrophobicContact CE1-CG 3.9Å
23M94.7Very high95.9Very high116 Ų11649.8 Ų49.857%0.57127%0.268SS*.PPolyproline II helixtrans-96.9138.3175.7-63.9-177.8-175.600110.3K18 A21K18-M23 HydrophobicContact CB-CB 4.13Å; K18-M23 HydrophobicContact CG-CB 4.42Å; K18-M23 PolarHBondContact O-N 2.94Å; A21-M23 HydrophobicContact CB-CE 3.9Å; A21-M23 HydrophobicContact CB-CG 3.97Å; A21-M23 HydrophobicContact CB-SD 4.2Å; A21-M23 PolarHBondContact O-N 3.37Å
24E91.5Very high96.2Very high110 Ų11049.7 Ų49.751%0.51427%0.267SS..PPolyproline II helixtrans-65.5147.8173.7-62.6-172.115500111.3R138E24-R138 IonicContact OE1-CZ 2.72Å; E24-R138 VanDerWaalsContact OE1-CZ 3.25Å; E24-R138 IonicContact OE1-NE 3.8Å; E24-R138 PolarHBondContact OE1-NE 3.48Å; E24-R138 IonicContact OE1-NH2 2.71Å; E24-R138 PolarHBondContact OE1-NH2 2.94Å
25L96.1Very high96.4Very high10 Ų1052.1 Ų52.15%0.05227%0.273CS..PPolyproline II helixtrans-86.3151.9171-84.962.9000108.5L15 K18 E29 L33 V100 Y139L15-L25 HydrophobicContact CB-CD2 4.38Å; L15-L25 HydrophobicContact CD1-CD2 3.81Å; L15-L25 HydrophobicContact CD2-CD2 4.01Å; L15-L25 HydrophobicContact CD2-CG 4.03Å; L15-L25 HydrophobicContact CG-CD2 4.27Å; K18-L25 HydrophobicContact CB-CD1 4.3Å; L25-E29 WeakPolarHBondContact CA-OE2 3.2Å; L25-E29 HydrophobicContact CB-CB 4.17Å; L25-E29 HydrophobicContact CD2-CB 4.33Å; L25-E29 HydrophobicContact CG-CB 4.32Å; L25-L33 HydrophobicContact CD2-CD2 4.35Å; L25-V100 HydrophobicContact CD1-CG1 4.13Å; L25-V100 HydrophobicContact CD2-CG1 3.89Å; L25-Y139 PolarHBondContact N-OH 3.37Å; L25-Y139 WeakPolarHBondContact O-CE1 3.2Å; L25-Y139 PolarHBondContact O-OH 2.91Å
26D97Very high96.4Very high101 Ų10155.3 Ų55.354%0.5429%0.287SS..PPolyproline II helixtrans-68.7151.1164.7-65.3-36000109.2S28 E29 L30D26-S28 PolarHBondContact O-N 3.45Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-E29 HydrophobicContact CB-CG 4.14Å; D26-E29 PolarHBondContact N-OE2 3.28Å; D26-E29 WeakPolarHBondContact O-CA 3.49Å; D26-E29 WeakPolarHBondContact O-CB 3.26Å; D26-E29 PolarHBondContact O-N 3.21Å; D26-L30 PolarHBondContact O-N 3.36Å
27E98.1Very high96.6Very high73 Ų7355.2 Ų55.234%0.34129%0.286SS..Hα-helixtrans-57.2-35179.8-172.3170.1153.500112.3L30 V31 Y139 S140 A143E27-L30 PolarHBondContact O-N 2.81Å; E27-V31 HydrophobicContact CG-CG2 4.42Å; E27-V31 WeakPolarHBondContact O-CB 3.5Å; E27-V31 VanDerWaalsContact O-CG2 3.24Å; E27-V31 WeakPolarHBondContact O-CG2 3.1Å; E27-V31 PolarHBondContact O-N 3.21Å; E27-Y139 HydrophobicContact CB-CD1 3.96Å; E27-Y139 HydrophobicContact CG-CD1 4.25Å; E27-S140 VanDerWaalsContact CD-OG 3.32Å; E27-S140 PolarHBondContact OE1-OG 3.1Å; E27-S140 PolarHBondContact OE2-OG 3.45Å; E27-A143 HydrophobicContact CG-CB 4.07Å
28S97.8Very high96.8Very high86 Ų8652.9 Ų52.960%0.60127%0.267SS*.Hα-helixtrans-63.8-39.2174.251.10000112.7D26 E32D26-S28 PolarHBondContact O-N 3.45Å; D26-S28 VanDerWaalsContact O-N 3.15Å; S28-E32 WeakPolarHBondContact O-CB 3.4Å; S28-E32 PolarHBondContact O-N 2.85Å
29E98.1Very high96.9Very high36 Ų3653.5 Ų53.517%0.16828%0.275CS..Hα-helixtrans-67.3-43.6176.1-66.5177.7138.600111F11 L15 K18 L25 D26 E32 L33F11-E29 HydrophobicContact CE2-CG 4.4Å; F11-E29 HydrophobicContact CZ-CB 4.5Å; L15-E29 HydrophobicContact CD1-CB 4.44Å; L15-E29 HydrophobicContact CD2-CB 3.8Å; L15-E29 HydrophobicContact CD2-CG 3.96Å; K18-E29 IonicContact NZ-OE1 3.75Å; K18-E29 PolarHBondContact NZ-OE1 3.25Å; K18-E29 IonicContact NZ-OE2 3.8Å; K18-E29 PolarHBondContact NZ-OE2 3.07Å; L25-E29 WeakPolarHBondContact CA-OE2 3.2Å; L25-E29 HydrophobicContact CB-CB 4.17Å; L25-E29 HydrophobicContact CD2-CB 4.33Å; L25-E29 HydrophobicContact CG-CB 4.32Å; D26-E29 HydrophobicContact CB-CG 4.14Å; D26-E29 PolarHBondContact N-OE2 3.28Å; D26-E29 WeakPolarHBondContact O-CA 3.49Å; D26-E29 WeakPolarHBondContact O-CB 3.26Å; D26-E29 PolarHBondContact O-N 3.21Å; E29-E32 PolarHBondContact O-N 2.87Å; E29-L33 WeakPolarHBondContact O-CB 3.49Å; E29-L33 PolarHBondContact O-N 2.98Å
30L98.5Very high97Very high1 Ų154.7 Ų54.71%0.00528%0.281CS..Hα-helixtrans-59-49.5174.4174.161.2000111D26 E27 E32 L33 V34 V100 Y139 A143 I147D26-L30 PolarHBondContact O-N 3.36Å; E27-L30 PolarHBondContact O-N 2.81Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-E32 PolarHBondContact O-N 2.8Å; L30-L33 WeakPolarHBondContact O-CB 3.29Å; L30-L33 PolarHBondContact O-N 3.48Å; L30-V34 HydrophobicContact CD1-CG2 4.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.22Å; L30-V34 PolarHBondContact O-N 2.98Å; L30-V100 HydrophobicContact CD1-CG2 3.77Å; L30-Y139 HydrophobicContact CB-CE1 4.32Å; L30-Y139 HydrophobicContact CD2-CD1 3.8Å; L30-Y139 HydrophobicContact CD2-CD2 4.4Å; L30-Y139 HydrophobicContact CD2-CE1 3.8Å; L30-Y139 HydrophobicContact CD2-CE2 4.46Å; L30-Y139 HydrophobicContact CD2-CG 4.09Å; L30-A143 HydrophobicContact CD2-CB 4.07Å; L30-I147 HydrophobicContact CD1-CD1 4.32Å; L30-I147 HydrophobicContact CD2-CD1 4.31Å
31V98.3Very high97.3Very high49 Ų4949.8 Ų49.830%0.29726%0.262SS..Hα-helixtrans-61-43.5178.8169.30000111.2E27 V34 E35 K146E27-V31 HydrophobicContact CG-CG2 4.42Å; E27-V31 WeakPolarHBondContact O-CB 3.5Å; E27-V31 VanDerWaalsContact O-CG2 3.24Å; E27-V31 WeakPolarHBondContact O-CG2 3.1Å; E27-V31 PolarHBondContact O-N 3.21Å; V31-V34 PolarHBondContact O-N 2.96Å; V31-E35 WeakPolarHBondContact O-CG 3.44Å; V31-E35 PolarHBondContact O-N 3.32Å; V31-K146 HydrophobicContact CG1-CG 4.41Å; V31-K146 HydrophobicContact CG2-CG 4.38Å
32E98.2Very high97.5Very high83 Ų8352.1 Ų52.139%0.38826%0.258SS..Hα-helixtrans-66.1-39.7177.3179.3174.4173.900112.1F11 S28 E29 L30 V34 E35 K36F11-E32 HydrophobicContact CE1-CB 4.26Å; F11-E32 HydrophobicContact CE1-CG 3.79Å; F11-E32 HydrophobicContact CE2-CB 4.32Å; F11-E32 HydrophobicContact CE2-CG 4.16Å; F11-E32 WeakPolarHBondContact CE2-OE2 3.41Å; F11-E32 HydrophobicContact CZ-CB 3.65Å; F11-E32 HydrophobicContact CZ-CG 3.55Å; S28-E32 WeakPolarHBondContact O-CB 3.4Å; S28-E32 PolarHBondContact O-N 2.85Å; E29-E32 PolarHBondContact O-N 2.87Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-E32 PolarHBondContact O-N 2.8Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.25Å; E32-E35 PolarHBondContact O-N 2.83Å; E32-K36 WeakPolarHBondContact O-CG 3.37Å; E32-K36 PolarHBondContact O-N 2.78Å; E32-K36 VanDerWaalsContact OE1-CE 3.26Å; E32-K36 WeakPolarHBondContact OE1-CE 3.36Å; E32-K36 IonicContact OE1-NZ 3.84Å; E32-K36 PolarHBondContact OE1-NZ 3.26Å
33L98.6Very high97.7Very high0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-58-45.9172.3172.761.2000111L12 L15 L25 E29 L30 E35 K36 V37 V100 F103 L104L12-L33 HydrophobicContact CD2-CD1 3.85Å; L15-L33 HydrophobicContact CD1-CB 4.06Å; L25-L33 HydrophobicContact CD2-CD2 4.35Å; E29-L33 WeakPolarHBondContact O-CB 3.49Å; E29-L33 PolarHBondContact O-N 2.98Å; L30-L33 WeakPolarHBondContact O-CB 3.29Å; L30-L33 PolarHBondContact O-N 3.48Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-E35 PolarHBondContact O-N 3.42Å; L33-K36 PolarHBondContact O-N 3.09Å; L33-V37 PolarHBondContact O-N 3.38Å; L33-V100 HydrophobicContact CD2-CB 4.46Å; L33-V100 HydrophobicContact CD2-CG1 3.97Å; L33-F103 HydrophobicContact CD1-CB 4.22Å; L33-F103 HydrophobicContact CD2-CB 4.16Å; L33-F103 HydrophobicContact CG-CB 4.09Å; L33-L104 HydrophobicContact CD1-CD2 3.66Å; L33-L104 HydrophobicContact CD1-CG 3.98Å; L33-L104 HydrophobicContact CD2-CD2 4.11Å; L33-L104 HydrophobicContact CD2-CG 3.85Å
34V98.7Very high97.8Very high0 Ų052.7 Ų52.70%026%0.26CS..Hα-helixtrans-63-38.3178.8-177.50000111.5L30 V31 E32 K36 V37 L38 F103 K146 I147 A150L30-V34 HydrophobicContact CD1-CG2 4.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.22Å; L30-V34 PolarHBondContact O-N 2.98Å; V31-V34 PolarHBondContact O-N 2.96Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.25Å; V34-K36 PolarHBondContact O-N 3.12Å; V34-V37 WeakPolarHBondContact O-CG1 3.16Å; V34-V37 PolarHBondContact O-N 2.94Å; V34-L38 HydrophobicContact CG1-CD1 3.92Å; V34-L38 HydrophobicContact CG1-CG 4.3Å; V34-L38 VanDerWaalsContact O-CB 3.26Å; V34-L38 WeakPolarHBondContact O-CB 3.48Å; V34-L38 WeakPolarHBondContact O-CD1 3.46Å; V34-L38 VanDerWaalsContact O-CG 3.25Å; V34-L38 WeakPolarHBondContact O-CG 3.42Å; V34-L38 PolarHBondContact O-N 2.78Å; V34-F103 HydrophobicContact CG2-CD2 4.23Å; V34-F103 HydrophobicContact CG2-CE2 4.2Å; V34-K146 HydrophobicContact CB-CG 3.98Å; V34-K146 HydrophobicContact CG1-CD 4.49Å; V34-K146 HydrophobicContact CG1-CG 3.87Å; V34-K146 WeakPolarHBondContact CG1-O 3.46Å; V34-K146 HydrophobicContact CG2-CG 4.46Å; V34-I147 HydrophobicContact CG2-CG1 4.11Å; V34-A150 HydrophobicContact CG1-CB 3.83Å
35E98.5Very high98.1Very high74 Ų7449.9 Ų49.935%0.34626%0.256SS..Hα-helixtrans-64.4-38.9174.4-73.6-68.9-178.600113.1V31 E32 L33 T39 K146V31-E35 WeakPolarHBondContact O-CG 3.44Å; V31-E35 PolarHBondContact O-N 3.32Å; E32-E35 PolarHBondContact O-N 2.83Å; L33-E35 VanDerWaalsContact C-N 3.32Å; L33-E35 PolarHBondContact O-N 3.42Å; E35-T39 PolarHBondContact O-N 3.09Å; E35-T39 VanDerWaalsContact O-N 3.13Å; E35-T39 PolarHBondContact O-OG1 2.92Å; E35-K146 VanDerWaalsContact CD-NZ 3.3Å; E35-K146 WeakPolarHBondContact OE1-CE 3.2Å; E35-K146 IonicContact OE1-NZ 2.8Å; E35-K146 PolarHBondContact OE1-NZ 2.83Å; E35-K146 IonicContact OE2-NZ 3.84Å
36K98.3Very high98.2Very high69 Ų6949.7 Ų49.730%0.326%0.255SS..Hα-helixtrans-64.8-47176.6-69.7-173.6-160-46.60111.1F11 L12 E32 L33 V34 T39F11-K36 HydrophobicContact CD1-CD 4.06Å; F11-K36 HydrophobicContact CE1-CD 4.16Å; F11-K36 VanDerWaalsContact CE1-CE 3.41Å; L12-K36 HydrophobicContact CD1-CD 4.32Å; L12-K36 HydrophobicContact CD2-CD 3.89Å; L12-K36 HydrophobicContact CG-CD 4.12Å; E32-K36 WeakPolarHBondContact O-CG 3.37Å; E32-K36 PolarHBondContact O-N 2.78Å; E32-K36 VanDerWaalsContact OE1-CE 3.26Å; E32-K36 WeakPolarHBondContact OE1-CE 3.36Å; E32-K36 IonicContact OE1-NZ 3.84Å; E32-K36 PolarHBondContact OE1-NZ 3.26Å; L33-K36 PolarHBondContact O-N 3.09Å; V34-K36 PolarHBondContact O-N 3.12Å; K36-T39 WeakPolarHBondContact O-CB 3.36Å; K36-T39 PolarHBondContact O-N 2.94Å
37V98.6Very high98.3Very high0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-67.6-37.9178.879.70000111.6L33 V34 T39 I40 L41 F103 K106 A150L33-V37 PolarHBondContact O-N 3.38Å; V34-V37 WeakPolarHBondContact O-CG1 3.16Å; V34-V37 PolarHBondContact O-N 2.94Å; V37-T39 VanDerWaalsContact C-N 3.27Å; V37-T39 PolarHBondContact O-N 3.22Å; V37-I40 WeakPolarHBondContact O-CA 3.44Å; V37-I40 WeakPolarHBondContact O-CB 3.18Å; V37-I40 PolarHBondContact O-N 2.83Å; V37-L41 HydrophobicContact CG1-CD1 4.36Å; V37-L41 HydrophobicContact CG2-CD1 4.1Å; V37-L41 HydrophobicContact CG2-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CG 3.3Å; V37-L41 PolarHBondContact O-N 2.91Å; V37-F103 HydrophobicContact CB-CB 4.28Å; V37-F103 HydrophobicContact CB-CG 4.33Å; V37-F103 HydrophobicContact CG1-CB 4.23Å; V37-F103 HydrophobicContact CG1-CD1 4.05Å; V37-F103 HydrophobicContact CG1-CD2 3.92Å; V37-F103 HydrophobicContact CG1-CE1 4.36Å; V37-F103 HydrophobicContact CG1-CE2 4.24Å; V37-F103 HydrophobicContact CG1-CG 3.82Å; V37-F103 HydrophobicContact CG1-CZ 4.45Å; V37-F103 HydrophobicContact CG2-CB 4.34Å; V37-F103 HydrophobicContact CG2-CD1 4.06Å; V37-F103 HydrophobicContact CG2-CG 4.3Å; V37-K106 HydrophobicContact CG2-CB 3.92Å; V37-K106 HydrophobicContact CG2-CG 3.61Å; V37-A150 HydrophobicContact CG1-CB 4.2Å
38L98.5Very high98.4Very high0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-57-39.6174.5-86.1167.4000112.4V34 I40 L41 R42 E149 A150 Y153V34-L38 HydrophobicContact CG1-CD1 3.92Å; V34-L38 HydrophobicContact CG1-CG 4.3Å; V34-L38 VanDerWaalsContact O-CB 3.26Å; V34-L38 WeakPolarHBondContact O-CB 3.48Å; V34-L38 WeakPolarHBondContact O-CD1 3.46Å; V34-L38 VanDerWaalsContact O-CG 3.25Å; V34-L38 WeakPolarHBondContact O-CG 3.42Å; V34-L38 PolarHBondContact O-N 2.78Å; L38-I40 PolarHBondContact O-N 3.04Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-R42 VanDerWaalsContact O-CB 3.3Å; L38-R42 WeakPolarHBondContact O-CB 3.02Å; L38-R42 WeakPolarHBondContact O-CG 3.35Å; L38-R42 PolarHBondContact O-N 2.81Å; L38-E149 HydrophobicContact CD1-CB 4.33Å; L38-E149 HydrophobicContact CD1-CG 4.08Å; L38-E149 HydrophobicContact CD2-CG 4.13Å; L38-A150 HydrophobicContact CD2-CB 4.2Å; L38-A150 HydrophobicContact CG-CB 4.16Å; L38-Y153 HydrophobicContact CD2-CD2 3.51Å; L38-Y153 HydrophobicContact CD2-CE2 4.15Å; L38-Y153 HydrophobicContact CD2-CG 4.28Å
39T98.3Very high98.4Very high68 Ų6843.8 Ų43.842%0.41722%0.215SC..Hα-helixtrans-60.1-30.4177.1-61.20000112.5E35 K36 V37 K43E35-T39 PolarHBondContact O-N 3.09Å; E35-T39 VanDerWaalsContact O-N 3.13Å; E35-T39 PolarHBondContact O-OG1 2.92Å; K36-T39 WeakPolarHBondContact O-CB 3.36Å; K36-T39 PolarHBondContact O-N 2.94Å; V37-T39 VanDerWaalsContact C-N 3.27Å; V37-T39 PolarHBondContact O-N 3.22Å; T39-K43 WeakPolarHBondContact O-CD 3.43Å; T39-K43 WeakPolarHBondContact O-CE 3.42Å
40I98.6Very high98.4Very high35 Ų3542.1 Ų42.118%0.17921%0.208CC..Hα-helixtrans-81.9-55.3176.4-61.6162.3000109.6V37 L38 R42 K43 E44 P110V37-I40 WeakPolarHBondContact O-CA 3.44Å; V37-I40 WeakPolarHBondContact O-CB 3.18Å; V37-I40 PolarHBondContact O-N 2.83Å; L38-I40 PolarHBondContact O-N 3.04Å; I40-R42 VanDerWaalsContact C-N 3.26Å; I40-R42 PolarHBondContact O-N 2.95Å; I40-K43 WeakPolarHBondContact O-CB 3.41Å; I40-K43 PolarHBondContact O-N 2.97Å; I40-E44 PolarHBondContact O-N 3.38Å; I40-P110 HydrophobicContact CD1-CB 4.28Å; I40-P110 HydrophobicContact CG2-CB 3.94Å
41L98.6Very high98.4Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-57.5-35.5-175.4-67.3177.4000113.3V37 L38 K43 E44 A150 L154 R186V37-L41 HydrophobicContact CG1-CD1 4.36Å; V37-L41 HydrophobicContact CG2-CD1 4.1Å; V37-L41 HydrophobicContact CG2-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CG 3.3Å; V37-L41 PolarHBondContact O-N 2.91Å; L38-L41 PolarHBondContact O-N 2.82Å; L41-K43 PolarHBondContact O-N 2.85Å; L41-E44 PolarHBondContact O-N 2.88Å; L41-A150 HydrophobicContact CD1-CB 4.28Å; L41-L154 HydrophobicContact CD1-CD2 4.07Å; L41-L154 HydrophobicContact CD2-CD2 4.11Å; L41-R186 PolarHBondContact O-NH2 2.94Å
42R98.1Very high98.4Very high104 Ų10445.9 Ų45.939%0.39223%0.228SC..THydrogen-bonded Turntrans-61.7-24.3175.4-76.1173.6-172.31430.7113.7L38 I40 E149 Y153L38-R42 VanDerWaalsContact O-CB 3.3Å; L38-R42 WeakPolarHBondContact O-CB 3.02Å; L38-R42 WeakPolarHBondContact O-CG 3.35Å; L38-R42 PolarHBondContact O-N 2.81Å; I40-R42 VanDerWaalsContact C-N 3.26Å; I40-R42 PolarHBondContact O-N 2.95Å; R42-E149 IonicContact CZ-OE1 3.97Å; R42-E149 IonicContact NH2-OE1 2.79Å; R42-E149 PolarHBondContact NH2-OE1 2.78Å; R42-Y153 HydrophobicContact CG-CD1 3.87Å; R42-Y153 HydrophobicContact CG-CD2 4.31Å; R42-Y153 HydrophobicContact CG-CE1 3.69Å; R42-Y153 HydrophobicContact CG-CE2 4.14Å; R42-Y153 HydrophobicContact CG-CG 4.18Å
43K98Very high98.4Very high169 Ų16945 Ų4574%0.73523%0.23SC*.THydrogen-bonded Turntrans-95.6-17.9-178.4-61.8175.5-174173.60113.2T39 I40 L41T39-K43 WeakPolarHBondContact O-CD 3.43Å; T39-K43 WeakPolarHBondContact O-CE 3.42Å; I40-K43 WeakPolarHBondContact O-CB 3.41Å; I40-K43 PolarHBondContact O-N 2.97Å; L41-K43 PolarHBondContact O-N 2.85Å
44E98.2Very high98.4Very high38 Ų3845 Ų4518%0.17823%0.23CC..SBendtrans-72.2159.8-179.2-63.3-166.4128.300111.8I40 L41 L48 K106 P155 R186I40-E44 PolarHBondContact O-N 3.38Å; L41-E44 PolarHBondContact O-N 2.88Å; E44-L48 HydrophobicContact CB-CD2 3.96Å; E44-L48 HydrophobicContact CG-CD2 4.4Å; E44-K106 WeakPolarHBondContact OE1-CE 3.15Å; E44-K106 IonicContact OE1-NZ 2.7Å; E44-K106 PolarHBondContact OE1-NZ 2.84Å; E44-K106 WeakPolarHBondContact OE2-CE 3.2Å; E44-K106 IonicContact OE2-NZ 3.25Å; E44-K106 PolarHBondContact OE2-NZ 2.95Å; E44-P155 HydrophobicContact CB-CG 4.39Å; E44-R186 VanDerWaalsContact C-NH2 3.32Å; E44-R186 PolarHBondContact O-NH2 3.38Å
45A98Very high98.4Very high52 Ų5245.3 Ų45.343%0.4323%0.231SC..  trans-80.6158.1169.300000110.4L47A45-L47 VanDerWaalsContact CB-O 3.28Å; A45-L47 WeakPolarHBondContact CB-O 3.49Å; A45-L47 PolarHBondContact O-N 3.41Å
46S97.9Very high98.4Very high6 Ų641.8 Ų41.84%0.04222%0.215CC..SBendtrans-69.9-23.3173.8-63.30000112.6I156 A157 V181 I184 R186S46-I156 PolarHBondContact O-N 2.92Å; S46-A157 PolarHBondContact O-N 3.46Å; S46-V181 VanDerWaalsContact CB-O 3.28Å; S46-V181 WeakPolarHBondContact CB-O 3.48Å; S46-I184 WeakPolarHBondContact CB-O 3.34Å; S46-I184 PolarHBondContact OG-O 2.93Å; S46-R186 WeakPolarHBondContact OG-CD 3.28Å; S46-R186 PolarHBondContact OG-NE 3.45Å
47L98.7Very high98.5Very high2 Ų238.5 Ų38.51%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-107.9113.8164177.869.1000108.3A45 A157 L159 F165 M178 V181 R182A45-L47 VanDerWaalsContact CB-O 3.28Å; A45-L47 WeakPolarHBondContact CB-O 3.49Å; A45-L47 PolarHBondContact O-N 3.41Å; L47-A157 CarbonylContact C-O 3.48Å; L47-A157 WeakPolarHBondContact CA-O 3.05Å; L47-A157 HydrophobicContact CD1-CB 3.75Å; L47-L159 HydrophobicContact CD1-CB 4.11Å; L47-L159 HydrophobicContact CD2-CB 4.36Å; L47-L159 HydrophobicContact CG-CB 4.37Å; L47-F165 HydrophobicContact CD1-CD2 4.47Å; L47-F165 HydrophobicContact CD1-CE2 4.08Å; L47-M178 HydrophobicContact CD1-CE 3.92Å; L47-M178 HydrophobicContact CD2-CB 4.42Å; L47-M178 HydrophobicContact CD2-CE 3.74Å; L47-V181 HydrophobicContact CB-CB 4.36Å; L47-V181 HydrophobicContact CB-CG1 4.02Å; L47-V181 HydrophobicContact CD1-CG1 4.27Å; L47-R182 HydrophobicContact CB-CG 3.89Å; L47-R182 HydrophobicContact CD2-CG 3.75Å; L47-R182 HydrophobicContact CG-CG 4.44Å
48L98.8Very high98.5Very high9 Ų938.5 Ų38.55%0.04720%0.201CC..EExtended strand (participates in β ladder)trans-77.9125.5173.7-62.1-178.4000110.1E44 V50 L83 Y114 L116 P155 A157 G158 L159E44-L48 HydrophobicContact CB-CD2 3.96Å; E44-L48 HydrophobicContact CG-CD2 4.4Å; L48-V50 HydrophobicContact CB-CG2 4.11Å; L48-L83 HydrophobicContact CD1-CD1 4.49Å; L48-Y114 HydrophobicContact CD1-CD1 3.92Å; L48-Y114 HydrophobicContact CD1-CG 4.3Å; L48-L116 HydrophobicContact CD1-CD2 3.72Å; L48-L116 HydrophobicContact CG-CD2 4.17Å; L48-P155 HydrophobicContact CD1-CB 4Å; L48-P155 HydrophobicContact CD1-CG 3.91Å; L48-P155 HydrophobicContact CD2-CB 3.98Å; L48-P155 HydrophobicContact CD2-CG 3.7Å; L48-P155 HydrophobicContact CG-CB 3.64Å; L48-P155 HydrophobicContact CG-CG 3.81Å; L48-A157 PolarHBondContact N-O 3.47Å; L48-G158 CarbonylContact O-C 3.56Å; L48-G158 VanDerWaalsContact O-CA 3.24Å; L48-G158 WeakPolarHBondContact O-CA 3.45Å; L48-L159 PolarHBondContact O-N 3.05Å
49E98.6Very high98.5Very high124 Ų12438.5 Ų38.558%0.57920%0.201SC*.EExtended strand (participates in β ladder)trans-98.4117.4171.9-66.3179.417700108.4R182E49-R182 IonicContact OE1-CZ 2.67Å; E49-R182 VanDerWaalsContact OE1-CZ 3.25Å; E49-R182 IonicContact OE1-NE 2.92Å; E49-R182 PolarHBondContact OE1-NE 2.8Å; E49-R182 IonicContact OE1-NH2 3.95Å; E49-R182 PolarHBondContact OE1-NH2 3.17Å
50V98.2Very high98.5Very high2 Ų235.4 Ų35.41%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-130.1130.9-168.7-179.10000109.5L48 V54 Y114 L159 I160 S161L48-V50 HydrophobicContact CB-CG2 4.11Å; V50-V54 HydrophobicContact CG1-CG2 4.42Å; V50-Y114 HydrophobicContact CB-CE2 4.29Å; V50-Y114 HydrophobicContact CG1-CD2 3.93Å; V50-Y114 HydrophobicContact CG1-CE2 3.41Å; V50-Y114 VanDerWaalsContact CG1-CE2 3.41Å; V50-Y114 HydrophobicContact CG2-CD1 4.05Å; V50-Y114 HydrophobicContact CG2-CD2 3.96Å; V50-Y114 HydrophobicContact CG2-CE1 3.91Å; V50-Y114 HydrophobicContact CG2-CE2 3.85Å; V50-Y114 HydrophobicContact CG2-CG 4.05Å; V50-L159 PolarHBondContact N-O 3.33Å; V50-I160 CarbonylContact O-C 3.48Å; V50-I160 WeakPolarHBondContact O-CA 3.46Å; V50-S161 PolarHBondContact O-N 2.97Å
51D98.4Very high98.4Very high111 Ų11133.9 Ų33.959%0.59417%0.174SC*.PPolyproline II helixtrans-80146173.9-69.3-45.4000112.6R81D51-R81 PolarHBondContact O-NH1 2.86Å
52A98.5Very high98.4Very high17 Ų1733.9 Ų33.914%0.1417%0.174CC..SBendtrans-72151.5164.400000111.1I160 S161 V280 D281 L284A52-I160 HydrophobicContact CB-CG2 4.02Å; A52-S161 PolarHBondContact N-OG 3.39Å; A52-V280 HydrophobicContact CB-CG1 4.11Å; A52-D281 WeakPolarHBondContact CB-O 3.17Å; A52-L284 HydrophobicContact CB-CD2 3.79Å
53P98.5Very high98.3Very high65 Ų6530.1 Ų30.142%0.42216%0.161SC..SBendcis-80.6147.35.533.4-35.7000113.5V280P53-V280 WeakPolarHBondContact CA-O 3.24Å; P53-V280 WeakPolarHBondContact CB-O 3.24Å
54V98.8Very high98.2Very high1 Ų122.4 Ų22.41%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-153.4145.4177.363.20000109.9V50 R81 L83 I160 V280V50-V54 HydrophobicContact CG1-CG2 4.42Å; V54-R81 HydrophobicContact CG2-CB 4.38Å; V54-L83 HydrophobicContact CG2-CB 3.95Å; V54-I160 HydrophobicContact CG1-CD1 3.59Å; V54-I160 HydrophobicContact CG1-CG1 3.99Å; V54-I160 HydrophobicContact CG1-CG2 3.79Å; V54-V280 HydrophobicContact CG1-CB 4.29Å; V54-V280 PolarHBondContact N-O 3.41Å; V54-V280 VanDerWaalsContact N-O 3.09Å; V54-V280 PolarHBondContact O-N 3.11Å
55L98.9Very high98Very high5 Ų523 Ų233%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-95.3127.6170.2-6698.2000109.5K80 R81 Y82 L83 I277 V278 H279 L289L55-K80 HydrophobicContact CD1-CB 3.72Å; L55-K80 HydrophobicContact CD1-CD 4.16Å; L55-K80 HydrophobicContact CD1-CG 4.21Å; L55-R81 WeakPolarHBondContact CD1-O 3.33Å; L55-R81 PolarHBondContact N-O 3.19Å; L55-Y82 HydrophobicContact CB-CD1 3.79Å; L55-Y82 HydrophobicContact CB-CE1 3.69Å; L55-Y82 HydrophobicContact CB-CG 4.46Å; L55-Y82 HydrophobicContact CD1-CE1 4.46Å; L55-Y82 HydrophobicContact CD1-CE2 4.47Å; L55-Y82 HydrophobicContact CD2-CE1 4.23Å; L55-Y82 HydrophobicContact CG-CE1 4.35Å; L55-Y82 CarbonylContact O-C 3.53Å; L55-Y82 VanDerWaalsContact O-CA 3.3Å; L55-Y82 WeakPolarHBondContact O-CA 3.19Å; L55-L83 PolarHBondContact O-N 2.93Å; L55-I277 HydrophobicContact CB-CG2 3.75Å; L55-I277 HydrophobicContact CD2-CG2 3.63Å; L55-I277 HydrophobicContact CG-CG2 4.23Å; L55-V278 CarbonylContact C-O 3.52Å; L55-V278 WeakPolarHBondContact CA-O 3.44Å; L55-H279 HydrophobicContact CG-CB 4.46Å; L55-L289 HydrophobicContact CD2-CD1 4.18Å
56V98.9Very high97.9Very high0 Ų021.8 Ų21.80%012%0.116CC..EExtended strand (participates in β ladder)trans-103.1126.7178.4-170.10000109.7L83 L85 I160 I240 V278 V280V56-L83 VanDerWaalsContact CA-O 3.26Å; V56-L83 WeakPolarHBondContact CA-O 3.12Å; V56-L83 HydrophobicContact CG2-CB 4.49Å; V56-L85 HydrophobicContact CG1-CD1 3.73Å; V56-L85 HydrophobicContact CG1-CD2 3.68Å; V56-L85 HydrophobicContact CG1-CG 3.72Å; V56-I160 HydrophobicContact CG2-CD1 3.6Å; V56-I240 HydrophobicContact CB-CG2 4.49Å; V56-I240 HydrophobicContact CG1-CG2 3.91Å; V56-I240 HydrophobicContact CG2-CD1 4.21Å; V56-V278 HydrophobicContact CB-CB 4.15Å; V56-V278 PolarHBondContact N-O 3.12Å; V56-V278 PolarHBondContact O-N 3.09Å; V56-V280 HydrophobicContact CG2-CG2 4.22Å
57C98.9Very high97.9Very high0 Ų021.5 Ų21.50%011%0.114CC..EExtended strand (participates in β ladder)trans-120.4138.8-179.2-64.10000110.2L83 F84 L85 S263C57-L83 PolarHBondContact N-O 3.23Å; C57-F84 HydrophobicContact CB-CD1 3.36Å; C57-F84 HydrophobicContact CB-CD2 4.4Å; C57-F84 HydrophobicContact CB-CE1 3.3Å; C57-F84 HydrophobicContact CB-CE2 4.36Å; C57-F84 HydrophobicContact CB-CG 3.93Å; C57-F84 HydrophobicContact CB-CZ 3.84Å; C57-F84 CarbonylContact O-C 3.45Å; C57-F84 WeakPolarHBondContact O-CA 3.49Å; C57-L85 WeakPolarHBondContact O-CG 3.42Å; C57-L85 PolarHBondContact O-N 2.78Å; C57-S263 WeakPolarHBondContact CA-OG 3.36Å
58G98.7Very high97.8Very high0 Ų022.8 Ų22.80%012%0.12CC..  trans-87.1-146.6173.500000112.4S263G58-S263 PolarHBondContact N-OG 3.42Å
59D98.7Very high97.7Very high1 Ų124.3 Ų24.31%0.00513%0.125CC..  trans-59.2144.8-176.5-45-133.6000111.9H61 D87 H168 A242 H243 F262 S263 A264D59-H61 IonicContact OD1-NE2 3.82Å; D59-D87 HydrophobicContact CB-CB 4.06Å; D59-H168 IonicContact OD1-CE1 3.61Å; D59-A242 VanDerWaalsContact OD2-CB 3.25Å; D59-A242 WeakPolarHBondContact OD2-CB 3.16Å; D59-H243 WeakPolarHBondContact OD1-CA 3.48Å; D59-H243 PolarHBondContact OD1-N 2.97Å; D59-H243 PolarHBondContact OD2-N 3.3Å; D59-F262 HydrophobicContact CB-CD2 3.78Å; D59-F262 HydrophobicContact CB-CE2 3.42Å; D59-F262 VanDerWaalsContact CB-CE2 3.42Å; D59-F262 HydrophobicContact CB-CG 4.49Å; D59-F262 HydrophobicContact CB-CZ 3.84Å; D59-F262 VanDerWaalsContact CG-CD2 3.47Å; D59-F262 WeakPolarHBondContact OD1-CE2 3.34Å; D59-F262 VanDerWaalsContact OD2-CD2 3.26Å; D59-F262 WeakPolarHBondContact OD2-CD2 3.25Å; D59-S263 CarbonylContact O-C 3.41Å; D59-S263 VanDerWaalsContact O-CA 3.25Å; D59-S263 WeakPolarHBondContact O-CA 3.37Å; D59-S263 WeakPolarHBondContact O-CB 3.37Å; D59-S263 PolarHBondContact O-N 2.94Å; D59-S263 VanDerWaalsContact O-N 3.09Å; D59-A264 PolarHBondContact O-N 3.4Å
60T98.3Very high97.7Very high2 Ų218.5 Ų18.51%0.01210%0.098CC..  trans-128.4-26.5176.353.20000113.2G62 Q63 L67 L70 F84 D87 Y88T60-G62 PolarHBondContact O-N 2.74Å; T60-Q63 WeakPolarHBondContact O-CB 3.25Å; T60-Q63 PolarHBondContact O-N 2.83Å; T60-Q63 VanDerWaalsContact O-N 3.12Å; T60-L67 HydrophobicContact CG2-CD1 4.28Å; T60-L70 HydrophobicContact CG2-CD1 4.27Å; T60-F84 HydrophobicContact CG2-CD1 4.41Å; T60-F84 HydrophobicContact CG2-CE1 4.11Å; T60-D87 PolarHBondContact N-O 2.72Å; T60-Y88 WeakPolarHBondContact OG1-CA 3.13Å
61H97.7Very high97.6Very high3 Ų318.4 Ų18.41%0.01410%0.098CC..THydrogen-bonded Turntrans46.552.6165.8-82.1-53.4000115.3D59 Q63 D87 V89 D90 R91 G92 H120 Y267D59-H61 IonicContact OD1-NE2 3.82Å; H61-Q63 VanDerWaalsContact C-N 3.25Å; H61-Q63 PolarHBondContact O-N 3.25Å; H61-D87 IonicContact CE1-OD2 3Å; H61-D87 PolarHBondContact N-O 2.92Å; H61-D87 IonicContact NE2-OD2 3.45Å; H61-V89 PolarHBondContact ND1-O 3.46Å; H61-D90 CarbonylContact C-O 3.41Å; H61-D90 VanDerWaalsContact C-O 3.23Å; H61-D90 WeakPolarHBondContact CA-O 3.44Å; H61-R91 HydrophobicContact CB-CB 4.19Å; H61-G92 WeakPolarHBondContact O-CA 3.32Å; H61-G92 PolarHBondContact O-N 3.42Å; H61-H120 AromaticContact CE1-CD2 3.7Å; H61-H120 AromaticContact CE1-CG 3.9Å; H61-H120 AromaticContact CE1-NE2 3.85Å; H61-Y267 HydrophobicContact CB-CD2 4.48Å; H61-Y267 HydrophobicContact CB-CE2 3.83Å; H61-Y267 AromaticContact CD2-CE2 3.2Å; H61-Y267 WeakPolarHBondContact CD2-CE2 3.26Å; H61-Y267 AromaticContact CD2-CZ 3.56Å; H61-Y267 PolarHBondContact CD2-OH 3.03Å; H61-Y267 VanDerWaalsContact CD2-OH 3.27Å; H61-Y267 AromaticContact CG-CE2 3.7Å; H61-Y267 AromaticContact NE2-CE2 3.91Å; H61-Y267 AromaticContact NE2-CZ 3.78Å; H61-Y267 PolarHBondContact NE2-OH 2.88Å
62G96.8Very high97.5Very high1 Ų119.2 Ų19.21%0.0110%0.098CC..THydrogen-bonded Turntrans62.927.9174.800000114.6T60 Y88 R93 Q94T60-G62 PolarHBondContact O-N 2.74Å; G62-Y88 PolarHBondContact N-O 2.88Å; G62-R93 PolarHBondContact O-N 3.44Å; G62-Q94 WeakPolarHBondContact O-CA 3.27Å; G62-Q94 WeakPolarHBondContact O-CB 3.31Å; G62-Q94 PolarHBondContact O-N 3.23Å
63Q96Very high97.5Very high25 Ų2524 Ų2412%0.11711%0.112CC..  trans-99.374.7171.9-64.3-176.3-123.100110.3T60 H61 F65 D66 L67 P265T60-Q63 WeakPolarHBondContact O-CB 3.25Å; T60-Q63 PolarHBondContact O-N 2.83Å; T60-Q63 VanDerWaalsContact O-N 3.12Å; H61-Q63 VanDerWaalsContact C-N 3.25Å; H61-Q63 PolarHBondContact O-N 3.25Å; Q63-F65 PolarHBondContact O-N 2.79Å; Q63-D66 HydrophobicContact CB-CB 4Å; Q63-D66 PolarHBondContact NE2-OD2 2.82Å; Q63-D66 PolarHBondContact O-N 3.29Å; Q63-L67 PolarHBondContact O-N 2.88Å; Q63-P265 PolarHBondContact NE2-O 2.9Å
64F96.6Very high97.4Very high6 Ų621.4 Ų21.43%0.02610%0.098CC..Hα-helixtrans-60.3-46-172.2174.9-100.9000113.1S19 Y22 D66 L67 I68 Q94 E97 V98 L101S19-F64 WeakPolarHBondContact O-CZ 3.2Å; Y22-F64 AromaticContact CD2-CD1 3.7Å; Y22-F64 HydrophobicContact CD2-CD1 3.7Å; Y22-F64 AromaticContact CD2-CE1 3.58Å; Y22-F64 HydrophobicContact CD2-CE1 3.58Å; Y22-F64 HydrophobicContact CD2-CZ 4.44Å; Y22-F64 AromaticContact CE2-CD1 3.74Å; Y22-F64 HydrophobicContact CE2-CD1 3.74Å; Y22-F64 HydrophobicContact CE2-CE1 4.12Å; Y22-F64 HydrophobicContact CE2-CG 4.44Å; F64-D66 VanDerWaalsContact C-N 3.29Å; F64-D66 PolarHBondContact O-N 2.69Å; F64-L67 VanDerWaalsContact O-CB 3.31Å; F64-L67 WeakPolarHBondContact O-CB 3.28Å; F64-L67 PolarHBondContact O-N 3.46Å; F64-L67 VanDerWaalsContact O-N 3.12Å; F64-I68 HydrophobicContact CD1-CG1 4.36Å; F64-I68 HydrophobicContact CE1-CD1 4.26Å; F64-I68 HydrophobicContact CE1-CG1 3.92Å; F64-I68 HydrophobicContact CE2-CD1 4.15Å; F64-I68 HydrophobicContact CE2-CG1 4.48Å; F64-I68 HydrophobicContact CZ-CD1 3.83Å; F64-I68 HydrophobicContact CZ-CG1 4.01Å; F64-I68 WeakPolarHBondContact O-CG1 3.39Å; F64-I68 PolarHBondContact O-N 2.94Å; F64-Q94 HydrophobicContact CB-CB 3.66Å; F64-Q94 HydrophobicContact CB-CG 4.32Å; F64-E97 HydrophobicContact CB-CB 3.98Å; F64-E97 HydrophobicContact CD1-CB 4.43Å; F64-E97 HydrophobicContact CD2-CB 3.47Å; F64-E97 VanDerWaalsContact CD2-CB 3.47Å; F64-E97 HydrophobicContact CE2-CB 3.99Å; F64-E97 HydrophobicContact CG-CB 3.7Å; F64-V98 HydrophobicContact CB-CG2 4.1Å; F64-L101 HydrophobicContact CE2-CB 4.21Å; F64-L101 HydrophobicContact CE2-CD2 3.8Å
65F95.3Very high97.4Very high52 Ų5222.4 Ų22.423%0.22811%0.108CC..Hα-helixtrans-66.9-32.4-179.9-64-62.2000112.5Y22 Q63 I68 R69 Q94 F300 P302Y22-F65 HydrophobicContact CD1-CZ 4.14Å; Y22-F65 HydrophobicContact CD2-CE1 4.17Å; Y22-F65 AromaticContact CD2-CZ 3.95Å; Y22-F65 HydrophobicContact CD2-CZ 3.95Å; Y22-F65 HydrophobicContact CE1-CZ 4.05Å; Y22-F65 HydrophobicContact CE2-CE1 4.39Å; Y22-F65 HydrophobicContact CE2-CE2 4.33Å; Y22-F65 AromaticContact CE2-CZ 3.83Å; Y22-F65 HydrophobicContact CE2-CZ 3.83Å; Y22-F65 HydrophobicContact CG-CE1 4.39Å; Y22-F65 HydrophobicContact CG-CZ 4.11Å; Y22-F65 AromaticContact CZ-CZ 3.89Å; Q63-F65 PolarHBondContact O-N 2.79Å; F65-I68 PolarHBondContact O-N 2.85Å; F65-R69 VanDerWaalsContact O-CG 3.28Å; F65-R69 WeakPolarHBondContact O-CG 3.47Å; F65-R69 PolarHBondContact O-N 2.82Å; F65-Q94 VanDerWaalsContact CD2-NE2 3.3Å; F65-F300 HydrophobicContact CD2-CB 3.81Å; F65-F300 HydrophobicContact CE2-CB 4.32Å; F65-F300 HydrophobicContact CG-CB 4.49Å; F65-P302 HydrophobicContact CE2-CG 4.5Å; F65-P302 HydrophobicContact CZ-CG 4.12Å
66D95.6Very high97.3Very high25 Ų2526 Ų2613%0.13412%0.121CC..Hα-helixtrans-69.8-35.3172.9-67.2-52.9000111.6Q63 F64 I68 R69 L70 P265Q63-D66 HydrophobicContact CB-CB 4Å; Q63-D66 PolarHBondContact NE2-OD2 2.82Å; Q63-D66 PolarHBondContact O-N 3.29Å; F64-D66 VanDerWaalsContact C-N 3.29Å; F64-D66 PolarHBondContact O-N 2.69Å; D66-I68 PolarHBondContact O-N 2.67Å; D66-R69 CarbonylContact O-C 3.54Å; D66-R69 WeakPolarHBondContact O-CB 3.39Å; D66-R69 PolarHBondContact O-N 2.84Å; D66-R69 IonicContact OD1-CZ 2.76Å; D66-R69 IonicContact OD1-NH1 2.79Å; D66-R69 PolarHBondContact OD1-NH1 3.16Å; D66-L70 WeakPolarHBondContact O-CG 3.26Å; D66-L70 PolarHBondContact O-N 3.19Å; D66-P265 HydrophobicContact CB-CG 3.95Å; D66-P265 WeakPolarHBondContact OD1-CG 3.41Å
67L97.1Very high97.2Very high1 Ų126.5 Ų26.51%0.00512%0.124CC..Hα-helixtrans-60.2-43.3170.917563.9000111.9T60 Q63 F64 R69 L70 F71 F84 V98 L101 M102T60-L67 HydrophobicContact CG2-CD1 4.28Å; Q63-L67 PolarHBondContact O-N 2.88Å; F64-L67 VanDerWaalsContact O-CB 3.31Å; F64-L67 WeakPolarHBondContact O-CB 3.28Å; F64-L67 PolarHBondContact O-N 3.46Å; F64-L67 VanDerWaalsContact O-N 3.12Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 3.19Å; L67-L70 HydrophobicContact CD1-CD1 4.23Å; L67-L70 WeakPolarHBondContact O-CB 3.29Å; L67-L70 PolarHBondContact O-N 2.97Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L67-F71 HydrophobicContact CD1-CD2 4.37Å; L67-F71 HydrophobicContact CD1-CE1 4.35Å; L67-F71 HydrophobicContact CD1-CE2 3.56Å; L67-F71 HydrophobicContact CD1-CZ 3.55Å; L67-F71 HydrophobicContact CD2-CE2 4.22Å; L67-F71 HydrophobicContact CG-CD2 4.3Å; L67-F71 HydrophobicContact CG-CE2 3.59Å; L67-F71 HydrophobicContact CG-CZ 4.1Å; L67-F71 VanDerWaalsContact O-CD2 3.27Å; L67-F71 WeakPolarHBondContact O-CD2 3.41Å; L67-F71 PolarHBondContact O-N 2.81Å; L67-F84 HydrophobicContact CD1-CE1 3.86Å; L67-F84 HydrophobicContact CD1-CZ 3.84Å; L67-V98 HydrophobicContact CD2-CB 4.41Å; L67-V98 HydrophobicContact CD2-CG1 4.08Å; L67-V98 HydrophobicContact CD2-CG2 4.17Å; L67-L101 HydrophobicContact CD2-CD2 3.98Å; L67-L101 HydrophobicContact CG-CD2 4.43Å; L67-M102 HydrophobicContact CD1-CE 3.59Å; L67-M102 HydrophobicContact CD2-CE 3.66Å; L67-M102 HydrophobicContact CG-CE 4.29Å
68I97.1Very high97Very high29 Ų2928.8 Ų28.815%0.14914%0.139CC..Hα-helixtrans-57.8-46.8172.5-62.2-53.6000110.5F64 F65 D66 L70 F71 E72 W76 L101F64-I68 HydrophobicContact CD1-CG1 4.36Å; F64-I68 HydrophobicContact CE1-CD1 4.26Å; F64-I68 HydrophobicContact CE1-CG1 3.92Å; F64-I68 HydrophobicContact CE2-CD1 4.15Å; F64-I68 HydrophobicContact CE2-CG1 4.48Å; F64-I68 HydrophobicContact CZ-CD1 3.83Å; F64-I68 HydrophobicContact CZ-CG1 4.01Å; F64-I68 WeakPolarHBondContact O-CG1 3.39Å; F64-I68 PolarHBondContact O-N 2.94Å; F65-I68 PolarHBondContact O-N 2.85Å; D66-I68 PolarHBondContact O-N 2.67Å; I68-L70 VanDerWaalsContact C-N 3.28Å; I68-L70 PolarHBondContact O-N 3.06Å; I68-F71 PolarHBondContact O-N 3.33Å; I68-E72 HydrophobicContact CG2-CG 4.49Å; I68-E72 WeakPolarHBondContact O-CG 3.46Å; I68-E72 PolarHBondContact O-N 2.77Å; I68-W76 HydrophobicContact CD1-CH2 3.99Å; I68-W76 HydrophobicContact CD1-CZ3 4.41Å; I68-W76 HydrophobicContact CG2-CH2 3.92Å; I68-W76 HydrophobicContact CG2-CZ2 4.16Å; I68-L101 HydrophobicContact CD1-CD2 3.71Å
69R96.4Very high97Very high41 Ų4135.7 Ų35.716%0.15518%0.176CC..Hα-helixtrans-62.1-32.7176.7-67.3169.465.4-144.2-2.3113F65 D66 L67 F71 E72 R73 L291 T292 T294F65-R69 VanDerWaalsContact O-CG 3.28Å; F65-R69 WeakPolarHBondContact O-CG 3.47Å; F65-R69 PolarHBondContact O-N 2.82Å; D66-R69 CarbonylContact O-C 3.54Å; D66-R69 WeakPolarHBondContact O-CB 3.39Å; D66-R69 PolarHBondContact O-N 2.84Å; D66-R69 IonicContact OD1-CZ 2.76Å; D66-R69 IonicContact OD1-NH1 2.79Å; D66-R69 PolarHBondContact OD1-NH1 3.16Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 3.19Å; R69-F71 VanDerWaalsContact C-N 3.34Å; R69-E72 PolarHBondContact O-N 2.83Å; R69-R73 WeakPolarHBondContact O-CB 3.39Å; R69-R73 PolarHBondContact O-N 2.55Å; R69-L291 HydrophobicContact CB-CD1 4.11Å; R69-L291 HydrophobicContact CB-CD2 3.6Å; R69-L291 HydrophobicContact CB-CG 4.49Å; R69-L291 VanDerWaalsContact NH2-CD1 3.25Å; R69-T292 PolarHBondContact NH2-O 3.48Å; R69-T294 PolarHBondContact NH1-OG1 2.68Å
70L97.5Very high96.9Very high1 Ų140 Ų401%0.00519%0.194CC..Hα-helixtrans-61.5-43.8172.6-68.2173.7000110.7T60 D66 L67 I68 R73 G74 A275 I277 L291T60-L70 HydrophobicContact CG2-CD1 4.27Å; D66-L70 WeakPolarHBondContact O-CG 3.26Å; D66-L70 PolarHBondContact O-N 3.19Å; L67-L70 HydrophobicContact CD1-CD1 4.23Å; L67-L70 WeakPolarHBondContact O-CB 3.29Å; L67-L70 PolarHBondContact O-N 2.97Å; L67-L70 VanDerWaalsContact O-N 3.16Å; I68-L70 VanDerWaalsContact C-N 3.28Å; I68-L70 PolarHBondContact O-N 3.06Å; L70-R73 PolarHBondContact O-N 2.84Å; L70-G74 PolarHBondContact O-N 3.47Å; L70-A275 HydrophobicContact CD2-CB 4.23Å; L70-I277 HydrophobicContact CB-CD1 4.07Å; L70-I277 HydrophobicContact CD2-CD1 3.8Å; L70-I277 HydrophobicContact CD2-CG1 3.75Å; L70-I277 WeakPolarHBondContact O-CD1 3.46Å; L70-L291 HydrophobicContact CD2-CD2 4.18Å
71F97.7Very high97Very high0 Ų042.2 Ų42.20%020%0.203CC..Hα-helixtrans-68.8-39177.2-61.1-47.8000112.6L67 I68 R69 R73 G75 W76 P77 Y82 F84 L101 F105 F113L67-F71 HydrophobicContact CD1-CD2 4.37Å; L67-F71 HydrophobicContact CD1-CE1 4.35Å; L67-F71 HydrophobicContact CD1-CE2 3.56Å; L67-F71 HydrophobicContact CD1-CZ 3.55Å; L67-F71 HydrophobicContact CD2-CE2 4.22Å; L67-F71 HydrophobicContact CG-CD2 4.3Å; L67-F71 HydrophobicContact CG-CE2 3.59Å; L67-F71 HydrophobicContact CG-CZ 4.1Å; L67-F71 VanDerWaalsContact O-CD2 3.27Å; L67-F71 WeakPolarHBondContact O-CD2 3.41Å; L67-F71 PolarHBondContact O-N 2.81Å; I68-F71 PolarHBondContact O-N 3.33Å; R69-F71 VanDerWaalsContact C-N 3.34Å; F71-R73 PolarHBondContact O-N 2.82Å; F71-G75 CarbonylContact O-C 3.12Å; F71-G75 WeakPolarHBondContact O-CA 3.46Å; F71-G75 PolarHBondContact O-N 2.77Å; F71-W76 HydrophobicContact CB-CD2 3.71Å; F71-W76 HydrophobicContact CB-CE3 3.6Å; F71-W76 HydrophobicContact CB-CG 4.39Å; F71-W76 HydrophobicContact CB-CH2 4.03Å; F71-W76 HydrophobicContact CB-CZ2 4.1Å; F71-W76 HydrophobicContact CB-CZ3 3.77Å; F71-W76 HydrophobicContact CD2-CE3 4.14Å; F71-W76 HydrophobicContact CD2-CH2 4.34Å; F71-W76 AromaticContact CD2-CZ3 3.75Å; F71-W76 HydrophobicContact CD2-CZ3 3.75Å; F71-W76 HydrophobicContact CG-CE3 4.05Å; F71-W76 HydrophobicContact CG-CZ3 4.08Å; F71-P77 HydrophobicContact CD1-CG 4.33Å; F71-P77 HydrophobicContact CE1-CG 4.16Å; F71-Y82 HydrophobicContact CD1-CE1 4.18Å; F71-Y82 HydrophobicContact CD1-CE2 4.01Å; F71-Y82 AromaticContact CD1-CZ 3.78Å; F71-Y82 HydrophobicContact CE1-CD1 4.36Å; F71-Y82 HydrophobicContact CE1-CD2 4.4Å; F71-Y82 HydrophobicContact CE1-CE1 4.22Å; F71-Y82 HydrophobicContact CE1-CE2 4.23Å; F71-Y82 HydrophobicContact CE1-CG 4.45Å; F71-F84 AromaticContact CE1-CE2 3.98Å; F71-F84 HydrophobicContact CE1-CE2 3.98Å; F71-F84 AromaticContact CE1-CZ 3.77Å; F71-F84 HydrophobicContact CE1-CZ 3.77Å; F71-F84 HydrophobicContact CZ-CE2 4.19Å; F71-F84 AromaticContact CZ-CZ 3.88Å; F71-F84 HydrophobicContact CZ-CZ 3.88Å; F71-L101 HydrophobicContact CD2-CD2 4.49Å; F71-L101 HydrophobicContact CE2-CD2 3.88Å; F71-F105 HydrophobicContact CD2-CE2 4.16Å; F71-F105 HydrophobicContact CE2-CD2 4.26Å; F71-F105 AromaticContact CE2-CE2 3.6Å; F71-F105 HydrophobicContact CE2-CE2 3.6Å; F71-F105 HydrophobicContact CZ-CD2 4.12Å; F71-F105 AromaticContact CZ-CE2 3.87Å; F71-F105 HydrophobicContact CZ-CE2 3.87Å; F71-F113 AromaticContact CE1-CE2 3.93Å; F71-F113 HydrophobicContact CE1-CE2 3.93Å; F71-F113 HydrophobicContact CE1-CZ 4.46Å; F71-F113 AromaticContact CZ-CE2 3.93Å; F71-F113 HydrophobicContact CZ-CE2 3.93Å; F71-F113 HydrophobicContact CZ-CZ 4.08Å
72E96.6Very high97Very high129 Ų12942.1 Ų42.160%0.60320%0.202SC*.Hα-helixtrans-59.8-36.3171.4-67.3177.1156.300111.9I68 R69 W76I68-E72 HydrophobicContact CG2-CG 4.49Å; I68-E72 WeakPolarHBondContact O-CG 3.46Å; I68-E72 PolarHBondContact O-N 2.77Å; R69-E72 PolarHBondContact O-N 2.83Å; E72-W76 HydrophobicContact CG-CZ2 4.02Å
73R97Very high97.1Very high117 Ų11742 Ų4244%0.44220%0.202SC..Hα-helixtrans-79.7-40.1-177.7-178.663.9-176.293.7-5.4113.8R69 L70 F71 L289 Q290R69-R73 WeakPolarHBondContact O-CB 3.39Å; R69-R73 PolarHBondContact O-N 2.55Å; L70-R73 PolarHBondContact O-N 2.84Å; F71-R73 PolarHBondContact O-N 2.82Å; R73-L289 HydrophobicContact CG-CB 4.42Å; R73-Q290 PolarHBondContact NE-O 3.27Å
74G97.6Very high97.3Very high11 Ų1140.9 Ų40.911%0.11320%0.196CC..Hα-helixtrans-91.8-23.7-17700000114.2L70 K80L70-G74 PolarHBondContact O-N 3.47Å; G74-K80 WeakPolarHBondContact O-CG 3.48Å
75G97.9Very high97.4Very high21 Ų2140.6 Ų40.622%0.21620%0.195CC..  trans101.5149.3-169.900000111.7F71 Y82F71-G75 CarbonylContact O-C 3.12Å; F71-G75 WeakPolarHBondContact O-CA 3.46Å; F71-G75 PolarHBondContact O-N 2.77Å; G75-Y82 VanDerWaalsContact O-CE2 3.22Å; G75-Y82 WeakPolarHBondContact O-CE2 3.37Å; G75-Y82 VanDerWaalsContact O-CZ 3.28Å; G75-Y82 PolarHBondContact O-OH 3.07Å
76W97.4Very high97.5Very high82 Ų8238.1 Ų38.131%0.31118%0.184SC..  trans-79.3148.6-173-70.691.3000113.2Y20 I68 F71 E72 D79 K80 F105Y20-W76 HydrophobicContact CE1-CH2 4.26Å; Y20-W76 AromaticContact CE1-CZ3 3.75Å; Y20-W76 HydrophobicContact CE1-CZ3 3.75Å; I68-W76 HydrophobicContact CD1-CH2 3.99Å; I68-W76 HydrophobicContact CD1-CZ3 4.41Å; I68-W76 HydrophobicContact CG2-CH2 3.92Å; I68-W76 HydrophobicContact CG2-CZ2 4.16Å; F71-W76 HydrophobicContact CB-CD2 3.71Å; F71-W76 HydrophobicContact CB-CE3 3.6Å; F71-W76 HydrophobicContact CB-CG 4.39Å; F71-W76 HydrophobicContact CB-CH2 4.03Å; F71-W76 HydrophobicContact CB-CZ2 4.1Å; F71-W76 HydrophobicContact CB-CZ3 3.77Å; F71-W76 HydrophobicContact CD2-CE3 4.14Å; F71-W76 HydrophobicContact CD2-CH2 4.34Å; F71-W76 AromaticContact CD2-CZ3 3.75Å; F71-W76 HydrophobicContact CD2-CZ3 3.75Å; F71-W76 HydrophobicContact CG-CE3 4.05Å; F71-W76 HydrophobicContact CG-CZ3 4.08Å; E72-W76 HydrophobicContact CG-CZ2 4.02Å; W76-D79 WeakPolarHBondContact O-CB 3.26Å; W76-D79 PolarHBondContact O-N 2.97Å; W76-D79 VanDerWaalsContact O-N 3.15Å; W76-K80 PolarHBondContact O-N 3.15Å; W76-F105 HydrophobicContact CE3-CZ 4.14Å; W76-F105 HydrophobicContact CZ3-CZ 4.18Å
77P96.7Very high97.7Very high9 Ų937 Ų376%0.05818%0.178CC..THydrogen-bonded Turntrans-64.7145.1162.7-1529.2000111F71 Y82 F105 F109 F113F71-P77 HydrophobicContact CD1-CG 4.33Å; F71-P77 HydrophobicContact CE1-CG 4.16Å; P77-Y82 HydrophobicContact CG-CD2 3.85Å; P77-Y82 HydrophobicContact CG-CE2 4.02Å; P77-F105 HydrophobicContact CB-CD1 4.17Å; P77-F105 HydrophobicContact CB-CE1 4.38Å; P77-F105 HydrophobicContact CB-CG 4.39Å; P77-F105 HydrophobicContact CG-CD1 4.29Å; P77-F105 HydrophobicContact CG-CD2 4.12Å; P77-F105 HydrophobicContact CG-CE1 4.32Å; P77-F105 HydrophobicContact CG-CE2 4.14Å; P77-F105 HydrophobicContact CG-CG 4.19Å; P77-F105 HydrophobicContact CG-CZ 4.24Å; P77-F109 HydrophobicContact CB-CD2 4.09Å; P77-F109 HydrophobicContact CB-CE2 4.43Å; P77-F113 HydrophobicContact CB-CD2 3.98Å; P77-F113 HydrophobicContact CG-CD2 3.62Å; P77-F113 HydrophobicContact CG-CE2 3.7Å
78P95.3Very high97.8Very high49 Ų4937 Ų3732%0.31818%0.178SC..THydrogen-bonded Turncis-89.9-1.5-1.636.9-33.5000113.6K80 F109 D112P78-K80 PolarHBondContact O-N 3Å; P78-F109 HydrophobicContact CB-CB 4.28Å; P78-F109 HydrophobicContact CB-CD1 3.61Å; P78-F109 HydrophobicContact CB-CD2 4.25Å; P78-F109 HydrophobicContact CB-CE1 3.93Å; P78-F109 HydrophobicContact CB-CG 3.79Å; P78-F109 HydrophobicContact CB-CZ 4.4Å; P78-F109 HydrophobicContact CG-CD1 3.76Å; P78-F109 HydrophobicContact CG-CE1 3.53Å; P78-F109 HydrophobicContact CG-CE2 4.43Å; P78-F109 HydrophobicContact CG-CG 4.31Å; P78-F109 HydrophobicContact CG-CZ 3.92Å; P78-D112 HydrophobicContact CB-CB 4.33Å
79D97.3Very high97.8Very high145 Ų14535.6 Ų35.678%0.77517%0.171SC*.THydrogen-bonded Turntrans-53.4-28.3177.8-72.7-15.1000112.1W76W76-D79 WeakPolarHBondContact O-CB 3.26Å; W76-D79 PolarHBondContact O-N 2.97Å; W76-D79 VanDerWaalsContact O-N 3.15Å
80K98.1Very high97.9Very high90 Ų9033.7 Ų33.739%0.39116%0.164SC..SBendtrans-122.7137.6170-62.9-60.2178-165.50111.1L55 G74 W76 P78 Y82L55-K80 HydrophobicContact CD1-CB 3.72Å; L55-K80 HydrophobicContact CD1-CD 4.16Å; L55-K80 HydrophobicContact CD1-CG 4.21Å; G74-K80 WeakPolarHBondContact O-CG 3.48Å; W76-K80 PolarHBondContact O-N 3.15Å; P78-K80 PolarHBondContact O-N 3Å; K80-Y82 HydrophobicContact CB-CD2 4.36Å; K80-Y82 HydrophobicContact CB-CE2 3.69Å; K80-Y82 WeakPolarHBondContact O-CD2 3.46Å
81R98.6Very high97.7Very high50 Ų5038.6 Ų38.619%0.18918%0.182CC..  trans-90137.5177.5-60.4178.566.1-135.51.9110.2D51 V54 L55 N111 D112 Y114D51-R81 PolarHBondContact O-NH1 2.86Å; V54-R81 HydrophobicContact CG2-CB 4.38Å; L55-R81 WeakPolarHBondContact CD1-O 3.33Å; L55-R81 PolarHBondContact N-O 3.19Å; R81-N111 PolarHBondContact NE-O 3.37Å; R81-N111 PolarHBondContact NH2-O 3.28Å; R81-D112 CarbonylContact C-O 3.57Å; R81-D112 WeakPolarHBondContact CA-O 3.3Å; R81-D112 WeakPolarHBondContact CD-OD1 3.35Å; R81-D112 HydrophobicContact CG-CB 3.89Å; R81-D112 VanDerWaalsContact CG-OD1 3.28Å; R81-D112 WeakPolarHBondContact CG-OD1 3.43Å; R81-D112 IonicContact NE-OD1 3.72Å; R81-D112 PolarHBondContact NE-OD1 2.84Å; R81-Y114 PolarHBondContact NH2-OH 2.68Å
82Y98.9Very high97.4Very high0 Ų039.8 Ų39.80%020%0.195CC..EExtended strand (participates in β ladder)trans-126.8141.5-174.7-78.4-89.6000112.5L55 F71 G75 P77 K80 F84 D112 F113 Y114L55-Y82 HydrophobicContact CB-CD1 3.79Å; L55-Y82 HydrophobicContact CB-CE1 3.69Å; L55-Y82 HydrophobicContact CB-CG 4.46Å; L55-Y82 HydrophobicContact CD1-CE1 4.46Å; L55-Y82 HydrophobicContact CD1-CE2 4.47Å; L55-Y82 HydrophobicContact CD2-CE1 4.23Å; L55-Y82 HydrophobicContact CG-CE1 4.35Å; L55-Y82 CarbonylContact O-C 3.53Å; L55-Y82 VanDerWaalsContact O-CA 3.3Å; L55-Y82 WeakPolarHBondContact O-CA 3.19Å; F71-Y82 HydrophobicContact CD1-CE1 4.18Å; F71-Y82 HydrophobicContact CD1-CE2 4.01Å; F71-Y82 AromaticContact CD1-CZ 3.78Å; F71-Y82 HydrophobicContact CE1-CD1 4.36Å; F71-Y82 HydrophobicContact CE1-CD2 4.4Å; F71-Y82 HydrophobicContact CE1-CE1 4.22Å; F71-Y82 HydrophobicContact CE1-CE2 4.23Å; F71-Y82 HydrophobicContact CE1-CG 4.45Å; G75-Y82 VanDerWaalsContact O-CE2 3.22Å; G75-Y82 WeakPolarHBondContact O-CE2 3.37Å; G75-Y82 VanDerWaalsContact O-CZ 3.28Å; G75-Y82 PolarHBondContact O-OH 3.07Å; P77-Y82 HydrophobicContact CG-CD2 3.85Å; P77-Y82 HydrophobicContact CG-CE2 4.02Å; K80-Y82 HydrophobicContact CB-CD2 4.36Å; K80-Y82 HydrophobicContact CB-CE2 3.69Å; K80-Y82 WeakPolarHBondContact O-CD2 3.46Å; Y82-F84 AromaticContact CD1-CE2 3.78Å; Y82-F84 HydrophobicContact CD1-CE2 3.78Å; Y82-F84 HydrophobicContact CD1-CZ 4.21Å; Y82-F84 AromaticContact CG-CE2 3.99Å; Y82-F84 HydrophobicContact CG-CE2 3.99Å; Y82-D112 PolarHBondContact N-O 3.28Å; Y82-F113 HydrophobicContact CD2-CD2 4.41Å; Y82-F113 HydrophobicContact CD2-CE2 4.42Å; Y82-F113 HydrophobicContact CG-CD2 4.45Å; Y82-F113 HydrophobicContact CG-CE2 4.29Å; Y82-Y114 WeakPolarHBondContact O-CB 3.35Å; Y82-Y114 VanDerWaalsContact O-CD2 3.29Å; Y82-Y114 WeakPolarHBondContact O-CD2 3.45Å; Y82-Y114 PolarHBondContact O-N 2.75Å
83L98.9Very high97.2Very high0 Ų042 Ų420%020%0.198CC..EExtended strand (participates in β ladder)trans-124.5107166.4177.164.3000108.7L48 V54 L55 V56 C57 L85 Y114 L116 I160 C166L48-L83 HydrophobicContact CD1-CD1 4.49Å; V54-L83 HydrophobicContact CG2-CB 3.95Å; L55-L83 PolarHBondContact O-N 2.93Å; V56-L83 VanDerWaalsContact CA-O 3.26Å; V56-L83 WeakPolarHBondContact CA-O 3.12Å; V56-L83 HydrophobicContact CG2-CB 4.49Å; C57-L83 PolarHBondContact N-O 3.23Å; L83-L85 HydrophobicContact CD2-CD2 4.42Å; L83-L85 HydrophobicContact CG-CD2 4.24Å; L83-Y114 WeakPolarHBondContact CA-O 3.22Å; L83-L116 HydrophobicContact CD1-CD1 4.06Å; L83-L116 HydrophobicContact CD1-CD2 4.03Å; L83-L116 HydrophobicContact CD1-CG 3.76Å; L83-L116 HydrophobicContact CG-CD1 4.5Å; L83-I160 HydrophobicContact CD2-CD1 4.14Å; L83-I160 HydrophobicContact CD2-CG1 4.17Å; L83-C166 HydrophobicContact CD2-CB 3.69Å
84F98.9Very high97.2Very high0 Ų037.5 Ų37.50%018%0.181CC..EExtended strand (participates in β ladder)trans-91.3140.4173.9-76.9-98.5000111.2C57 T60 L67 F71 Y82 Y88 M102 F113 Y114 I115 L116C57-F84 HydrophobicContact CB-CD1 3.36Å; C57-F84 HydrophobicContact CB-CD2 4.4Å; C57-F84 HydrophobicContact CB-CE1 3.3Å; C57-F84 HydrophobicContact CB-CE2 4.36Å; C57-F84 HydrophobicContact CB-CG 3.93Å; C57-F84 HydrophobicContact CB-CZ 3.84Å; C57-F84 CarbonylContact O-C 3.45Å; C57-F84 WeakPolarHBondContact O-CA 3.49Å; T60-F84 HydrophobicContact CG2-CD1 4.41Å; T60-F84 HydrophobicContact CG2-CE1 4.11Å; L67-F84 HydrophobicContact CD1-CE1 3.86Å; L67-F84 HydrophobicContact CD1-CZ 3.84Å; F71-F84 AromaticContact CE1-CE2 3.98Å; F71-F84 HydrophobicContact CE1-CE2 3.98Å; F71-F84 AromaticContact CE1-CZ 3.77Å; F71-F84 HydrophobicContact CE1-CZ 3.77Å; F71-F84 HydrophobicContact CZ-CE2 4.19Å; F71-F84 AromaticContact CZ-CZ 3.88Å; F71-F84 HydrophobicContact CZ-CZ 3.88Å; Y82-F84 AromaticContact CD1-CE2 3.78Å; Y82-F84 HydrophobicContact CD1-CE2 3.78Å; Y82-F84 HydrophobicContact CD1-CZ 4.21Å; Y82-F84 AromaticContact CG-CE2 3.99Å; Y82-F84 HydrophobicContact CG-CE2 3.99Å; F84-Y88 HydrophobicContact CB-CE1 3.71Å; F84-Y88 HydrophobicContact CD1-CE1 4.3Å; F84-Y88 HydrophobicContact CG-CE1 4.33Å; F84-Y88 PolarHBondContact O-OH 3.12Å; F84-M102 HydrophobicContact CD1-CE 3.62Å; F84-M102 HydrophobicContact CD1-SD 4.34Å; F84-M102 HydrophobicContact CD2-CE 4.38Å; F84-M102 HydrophobicContact CD2-SD 4.13Å; F84-M102 HydrophobicContact CE1-CE 3.51Å; F84-M102 HydrophobicContact CE1-SD 4.45Å; F84-M102 HydrophobicContact CE2-CE 4.28Å; F84-M102 HydrophobicContact CE2-SD 4.25Å; F84-M102 HydrophobicContact CG-CE 4.08Å; F84-M102 HydrophobicContact CG-SD 4.19Å; F84-M102 HydrophobicContact CZ-CE 3.86Å; F84-M102 HydrophobicContact CZ-SD 4.4Å; F84-F113 HydrophobicContact CD2-CE1 4.26Å; F84-F113 HydrophobicContact CD2-CE2 4.24Å; F84-F113 AromaticContact CD2-CZ 3.78Å; F84-F113 HydrophobicContact CD2-CZ 3.78Å; F84-F113 HydrophobicContact CE2-CE1 4.4Å; F84-F113 AromaticContact CE2-CE2 3.7Å; F84-F113 HydrophobicContact CE2-CE2 3.7Å; F84-F113 AromaticContact CE2-CZ 3.48Å; F84-F113 HydrophobicContact CE2-CZ 3.48Å; F84-F113 VanDerWaalsContact CE2-CZ 3.48Å; F84-F113 HydrophobicContact CZ-CZ 4.4Å; F84-Y114 PolarHBondContact N-O 3.08Å; F84-I115 HydrophobicContact CB-CG2 4.25Å; F84-L116 WeakPolarHBondContact O-CB 3.37Å; F84-L116 WeakPolarHBondContact O-CG 3.17Å; F84-L116 PolarHBondContact O-N 2.97Å
85L98.9Very high97.2Very high0 Ų037 Ų370%018%0.176CC..  trans-93.8-13.9-168.9-59.5-174.7000115V56 C57 L83 L116 C166 H168 I240 A242 V261V56-L85 HydrophobicContact CG1-CD1 3.73Å; V56-L85 HydrophobicContact CG1-CD2 3.68Å; V56-L85 HydrophobicContact CG1-CG 3.72Å; C57-L85 WeakPolarHBondContact O-CG 3.42Å; C57-L85 PolarHBondContact O-N 2.78Å; L83-L85 HydrophobicContact CD2-CD2 4.42Å; L83-L85 HydrophobicContact CG-CD2 4.24Å; L85-L116 HydrophobicContact CD2-CD1 3.71Å; L85-C166 HydrophobicContact CD2-CB 3.79Å; L85-H168 WeakPolarHBondContact O-CA 3.1Å; L85-H168 WeakPolarHBondContact O-CB 3.19Å; L85-I240 HydrophobicContact CD1-CG2 4.08Å; L85-A242 HydrophobicContact CB-CB 3.79Å; L85-A242 HydrophobicContact CD1-CB 4.01Å; L85-V261 HydrophobicContact CD1-CG1 3.96Å
86G98.6Very high97.3Very high0 Ų036.1 Ų36.10%017%0.166CC..SBendtrans134.7-176.3-179.700000113.2Y88G86-Y88 PolarHBondContact N-OH 3.19Å
87D98.6Very high97.3Very high2 Ų233.5 Ų33.51%0.01116%0.157CC..  trans56.263.7177.3-73.17.7000112.8D59 T60 H61 N119 H120 E121 H168 H243D59-D87 HydrophobicContact CB-CB 4.06Å; T60-D87 PolarHBondContact N-O 2.72Å; H61-D87 IonicContact CE1-OD2 3Å; H61-D87 PolarHBondContact N-O 2.92Å; H61-D87 IonicContact NE2-OD2 3.45Å; D87-N119 PolarHBondContact OD1-N 3.41Å; D87-N119 VanDerWaalsContact OD1-N 3.09Å; D87-N119 PolarHBondContact OD1-OD1 2.71Å; D87-N119 VanDerWaalsContact OD1-OD1 3.1Å; D87-N119 PolarHBondContact OD2-OD1 2.92Å; D87-H120 HydrophobicContact CB-CB 4.45Å; D87-H120 VanDerWaalsContact CG-CD2 3.41Å; D87-H120 WeakPolarHBondContact OD1-CB 3.28Å; D87-H120 IonicContact OD1-CD2 2.97Å; D87-H120 PolarHBondContact OD1-CD2 2.87Å; D87-H120 IonicContact OD1-CG 2.75Å; D87-H120 PolarHBondContact OD1-N 3.04Å; D87-H120 IonicContact OD2-CD2 3.57Å; D87-H120 PolarHBondContact OD2-CD2 3.24Å; D87-E121 WeakPolarHBondContact CA-OE1 3.19Å; D87-E121 PolarHBondContact N-OE2 3.46Å; D87-H168 IonicContact OD1-CD2 2.94Å; D87-H168 IonicContact OD1-CE1 3.25Å; D87-H168 IonicContact OD1-NE2 2.92Å; D87-H168 PolarHBondContact OD1-NE2 3.47Å; D87-H168 IonicContact OD2-CE1 3.85Å; D87-H168 PolarHBondContact OD2-CE1 3.45Å; D87-H168 IonicContact OD2-NE2 2.71Å; D87-H168 PolarHBondContact OD2-NE2 2.85Å; D87-H243 IonicContact OD2-ND1 3.81Å
88Y98.8Very high97.4Very high0 Ų033 Ų330%016%0.155CC..  trans-85.6-34179.8-52-52.4000112.7T60 G62 F84 G86 V98 I99 M102 I115 L116 E121 L154T60-Y88 WeakPolarHBondContact OG1-CA 3.13Å; G62-Y88 PolarHBondContact N-O 2.88Å; F84-Y88 HydrophobicContact CB-CE1 3.71Å; F84-Y88 HydrophobicContact CD1-CE1 4.3Å; F84-Y88 HydrophobicContact CG-CE1 4.33Å; F84-Y88 PolarHBondContact O-OH 3.12Å; G86-Y88 PolarHBondContact N-OH 3.19Å; Y88-V98 WeakPolarHBondContact O-CG1 3.2Å; Y88-I99 HydrophobicContact CD2-CD1 3.86Å; Y88-I99 HydrophobicContact CG-CD1 4.21Å; Y88-M102 HydrophobicContact CD1-CE 4.09Å; Y88-M102 HydrophobicContact CD1-CG 4.44Å; Y88-M102 HydrophobicContact CE1-CE 4.37Å; Y88-I115 HydrophobicContact CE2-CB 4.44Å; Y88-L116 VanDerWaalsContact CE2-O 3.26Å; Y88-L116 WeakPolarHBondContact CE2-O 3.39Å; Y88-L116 PolarHBondContact OH-N 3.46Å; Y88-L116 PolarHBondContact OH-O 2.85Å; Y88-E121 HydrophobicContact CD2-CG 3.77Å; Y88-E121 WeakPolarHBondContact CD2-OE1 3.31Å; Y88-E121 HydrophobicContact CE2-CG 4.19Å; Y88-E121 PolarHBondContact N-OE1 2.77Å; Y88-L154 HydrophobicContact CE2-CD1 4.38Å
89V98.5Very high97.6Very high0 Ų030.8 Ų30.80%014%0.14CC..SBendtrans-110-178.4-172.3-58.30000111.1H61 I99 H120 N126 F131 F151H61-V89 PolarHBondContact ND1-O 3.46Å; V89-I99 HydrophobicContact CG1-CB 4.3Å; V89-H120 HydrophobicContact CG2-CB 4.41Å; V89-N126 HydrophobicContact CG2-CB 4.13Å; V89-F131 HydrophobicContact CB-CB 3.96Å; V89-F131 HydrophobicContact CB-CD1 4.13Å; V89-F131 HydrophobicContact CB-CD2 3.63Å; V89-F131 HydrophobicContact CB-CE2 4.12Å; V89-F131 HydrophobicContact CB-CG 3.63Å; V89-F131 HydrophobicContact CG1-CD1 4.14Å; V89-F131 HydrophobicContact CG1-CD2 3.64Å; V89-F131 HydrophobicContact CG1-CE1 4.08Å; V89-F131 HydrophobicContact CG1-CE2 3.57Å; V89-F131 HydrophobicContact CG1-CG 3.93Å; V89-F131 HydrophobicContact CG1-CZ 3.8Å; V89-F131 HydrophobicContact CG2-CB 4.05Å; V89-F131 HydrophobicContact CG2-CD1 4.05Å; V89-F131 HydrophobicContact CG2-CD2 4.41Å; V89-F131 HydrophobicContact CG2-CG 3.92Å; V89-F151 HydrophobicContact CG1-CE2 4.41Å; V89-F151 HydrophobicContact CG1-CZ 3.94Å; V89-F151 HydrophobicContact CG2-CE2 4.25Å; V89-F151 HydrophobicContact CG2-CZ 4.47Å
90D97.4Very high97.6Very high1 Ų124 Ų241%0.00510%0.104CC..SBendtrans63.2166.8-176.8-63.7-43.3000114.4H61 G92 H120 N126 Y129 G130 F131H61-D90 CarbonylContact C-O 3.41Å; H61-D90 VanDerWaalsContact C-O 3.23Å; H61-D90 WeakPolarHBondContact CA-O 3.44Å; D90-G92 PolarHBondContact O-N 3.27Å; D90-H120 WeakPolarHBondContact CB-ND1 3.23Å; D90-H120 IonicContact OD2-CE1 3.17Å; D90-H120 IonicContact OD2-CG 2.66Å; D90-H120 IonicContact OD2-ND1 2.88Å; D90-H120 PolarHBondContact OD2-ND1 2.85Å; D90-N126 WeakPolarHBondContact OD1-CA 3.36Å; D90-N126 WeakPolarHBondContact OD2-CA 3.4Å; D90-N126 WeakPolarHBondContact OD2-CB 3.3Å; D90-Y129 WeakPolarHBondContact CB-O 3.47Å; D90-G130 PolarHBondContact OD1-N 2.99Å; D90-G130 VanDerWaalsContact OD1-N 3.17Å; D90-F131 WeakPolarHBondContact OD1-CB 3.31Å; D90-F131 PolarHBondContact OD1-N 3.02Å
91R94Very high97.6Very high105 Ų10519.8 Ų19.840%0.3969%0.086SC..SBendtrans67.9-48.5176.7-46.2-67.3-166.395.37.9115.1H61 Y129 Y267H61-R91 HydrophobicContact CB-CB 4.19Å; R91-Y129 PolarHBondContact N-O 2.99Å; R91-Y267 HydrophobicContact CB-CE2 4.15Å; R91-Y267 HydrophobicContact CG-CE2 4.27Å; R91-Y267 WeakPolarHBondContact CG-OH 3.46Å; R91-Y267 VanDerWaalsContact CZ-OH 3.26Å; R91-Y267 PolarHBondContact NH1-OH 3.36Å
92G92.4Very high97.6Very high25 Ų2517.4 Ų17.426%0.2588%0.077SC..SBendtrans-82.2-177.1169.700000112.4H61 D90H61-G92 WeakPolarHBondContact O-CA 3.32Å; H61-G92 PolarHBondContact O-N 3.42Å; D90-G92 PolarHBondContact O-N 3.27Å
93R92.5Very high97.6Very high176 Ų17617.4 Ų17.466%0.6648%0.077SC*.SBendtrans-108.2-3.3-175.8-63.9-175.4-179.3161.82.2114.1G62G62-R93 PolarHBondContact O-N 3.44Å
94Q96.5Very high97.6Very high22 Ų2217.4 Ų17.410%0.1038%0.077CC..  trans-126.639.7-171.1-49168.8-70.900110.2Y22 G62 F64 F65 I96 E97 V98Y22-Q94 PolarHBondContact OH-NE2 2.91Å; G62-Q94 WeakPolarHBondContact O-CA 3.27Å; G62-Q94 WeakPolarHBondContact O-CB 3.31Å; G62-Q94 PolarHBondContact O-N 3.23Å; F64-Q94 HydrophobicContact CB-CB 3.66Å; F64-Q94 HydrophobicContact CB-CG 4.32Å; F65-Q94 VanDerWaalsContact CD2-NE2 3.3Å; Q94-I96 VanDerWaalsContact C-N 3.29Å; Q94-E97 WeakPolarHBondContact CA-OE2 3.13Å; Q94-E97 HydrophobicContact CB-CB 4.38Å; Q94-E97 PolarHBondContact O-N 2.78Å; Q94-V98 WeakPolarHBondContact O-CG2 3.48Å; Q94-V98 PolarHBondContact O-N 2.8Å
95G97.9Very high97.6Very high0 Ų017.4 Ų17.40%08%0.077CC..Hα-helixtrans-65-36-179.500000111.7I99 E134G95-I99 WeakPolarHBondContact O-CG2 3.44Å; G95-I99 PolarHBondContact O-N 2.8Å; G95-E134 WeakPolarHBondContact CA-OE2 3.38Å; G95-E134 PolarHBondContact N-OE1 3.45Å; G95-E134 PolarHBondContact N-OE2 3Å
96I98.4Very high97.6Very high3 Ų317.4 Ų17.42%0.0158%0.077CC..Hα-helixtrans-64.2-48.6176.3-65.6171.3000110.1Q94 V98 I99 V100 F131 E134 R138 Y139Q94-I96 VanDerWaalsContact C-N 3.29Å; I96-V98 VanDerWaalsContact C-N 3.35Å; I96-V98 PolarHBondContact O-N 2.77Å; I96-I99 WeakPolarHBondContact O-CG2 3.31Å; I96-I99 PolarHBondContact O-N 3.44Å; I96-V100 HydrophobicContact CG2-CG2 4.11Å; I96-V100 VanDerWaalsContact O-CB 3.32Å; I96-V100 WeakPolarHBondContact O-CB 3.47Å; I96-V100 VanDerWaalsContact O-CG2 3.22Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 2.94Å; I96-F131 HydrophobicContact CG1-CE2 3.86Å; I96-E134 HydrophobicContact CD1-CB 4.47Å; I96-E134 HydrophobicContact CD1-CG 3.8Å; I96-E134 HydrophobicContact CG1-CG 4.04Å; I96-E134 WeakPolarHBondContact CG1-OE1 3.41Å; I96-E134 PolarHBondContact N-OE1 2.92Å; I96-R138 HydrophobicContact CD1-CB 4.18Å; I96-Y139 HydrophobicContact CD1-CD2 3.76Å; I96-Y139 HydrophobicContact CD1-CE2 3.84Å; I96-Y139 HydrophobicContact CG2-CE2 3.78Å
97E98.2Very high97.5Very high26 Ų2618.1 Ų18.112%0.1218%0.082CC..Hα-helixtrans-63.6-42-179.6-67.986.2167.700111.7Y22 F64 Q94 L101 R138Y22-E97 HydrophobicContact CD2-CG 4.3Å; Y22-E97 HydrophobicContact CE2-CG 3.79Å; F64-E97 HydrophobicContact CB-CB 3.98Å; F64-E97 HydrophobicContact CD1-CB 4.43Å; F64-E97 HydrophobicContact CD2-CB 3.47Å; F64-E97 VanDerWaalsContact CD2-CB 3.47Å; F64-E97 HydrophobicContact CE2-CB 3.99Å; F64-E97 HydrophobicContact CG-CB 3.7Å; Q94-E97 WeakPolarHBondContact CA-OE2 3.13Å; Q94-E97 HydrophobicContact CB-CB 4.38Å; Q94-E97 PolarHBondContact O-N 2.78Å; E97-L101 WeakPolarHBondContact O-CB 3.39Å; E97-L101 PolarHBondContact O-N 3.22Å; E97-R138 IonicContact OE1-CZ 2.71Å; E97-R138 IonicContact OE1-NH1 3.86Å; E97-R138 PolarHBondContact OE1-NH1 2.98Å; E97-R138 IonicContact OE1-NH2 2.72Å; E97-R138 PolarHBondContact OE1-NH2 3.06Å; E97-R138 IonicContact OE2-CZ 2.7Å; E97-R138 IonicContact OE2-NH1 3.29Å; E97-R138 PolarHBondContact OE2-NH1 3.31Å
98V98.6Very high97.4Very high0 Ų019.4 Ų19.40%09%0.088CC..Hα-helixtrans-57.5-52.9174.2167.50000110F64 L67 Y88 Q94 I96 V100 L101 M102F64-V98 HydrophobicContact CB-CG2 4.1Å; L67-V98 HydrophobicContact CD2-CB 4.41Å; L67-V98 HydrophobicContact CD2-CG1 4.08Å; L67-V98 HydrophobicContact CD2-CG2 4.17Å; Y88-V98 WeakPolarHBondContact O-CG1 3.2Å; Q94-V98 WeakPolarHBondContact O-CG2 3.48Å; Q94-V98 PolarHBondContact O-N 2.8Å; I96-V98 VanDerWaalsContact C-N 3.35Å; I96-V98 PolarHBondContact O-N 2.77Å; V98-V100 PolarHBondContact O-N 2.84Å; V98-L101 PolarHBondContact O-N 2.99Å; V98-M102 HydrophobicContact CG1-CE 4.25Å; V98-M102 HydrophobicContact CG1-CG 4.33Å; V98-M102 VanDerWaalsContact O-CG 3.24Å; V98-M102 WeakPolarHBondContact O-CG 3.27Å; V98-M102 PolarHBondContact O-N 3.09Å
99I98.6Very high97.4Very high1 Ų120.1 Ų20.11%0.0059%0.091CC..Hα-helixtrans-72.1-33.2-173.9-160.765000113.3Y88 V89 G95 I96 L101 M102 F103 F131 I147 F151Y88-I99 HydrophobicContact CD2-CD1 3.86Å; Y88-I99 HydrophobicContact CG-CD1 4.21Å; V89-I99 HydrophobicContact CG1-CB 4.3Å; G95-I99 WeakPolarHBondContact O-CG2 3.44Å; G95-I99 PolarHBondContact O-N 2.8Å; I96-I99 WeakPolarHBondContact O-CG2 3.31Å; I96-I99 PolarHBondContact O-N 3.44Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-M102 HydrophobicContact CD1-CB 4.16Å; I99-M102 PolarHBondContact O-N 3.37Å; I99-F103 HydrophobicContact CD1-CD1 4.08Å; I99-F103 HydrophobicContact CD1-CE1 3.61Å; I99-F103 HydrophobicContact CD1-CZ 3.87Å; I99-F103 HydrophobicContact CG1-CD1 4.12Å; I99-F103 HydrophobicContact CG1-CD2 4.15Å; I99-F103 HydrophobicContact CG1-CE1 3.73Å; I99-F103 HydrophobicContact CG1-CE2 3.75Å; I99-F103 HydrophobicContact CG1-CG 4.33Å; I99-F103 HydrophobicContact CG1-CZ 3.52Å; I99-F103 WeakPolarHBondContact O-CB 3.42Å; I99-F103 VanDerWaalsContact O-CG 3.3Å; I99-F103 WeakPolarHBondContact O-CG 3.26Å; I99-F103 PolarHBondContact O-N 3.37Å; I99-F131 HydrophobicContact CG2-CE2 4.41Å; I99-F131 HydrophobicContact CG2-CZ 4.06Å; I99-I147 HydrophobicContact CG2-CD1 4.4Å; I99-I147 HydrophobicContact CG2-CG2 4.47Å; I99-F151 HydrophobicContact CD1-CE1 3.47Å; I99-F151 VanDerWaalsContact CD1-CE1 3.47Å; I99-F151 HydrophobicContact CD1-CZ 3.96Å; I99-F151 HydrophobicContact CG1-CE1 3.61Å; I99-F151 HydrophobicContact CG1-CZ 3.84Å
100V98.6Very high97.3Very high4 Ų422 Ų222%0.02410%0.103CC..Hα-helixtrans-58.2-48.6171.51650000109.9L25 L30 L33 I96 V98 M102 F103 L104L25-V100 HydrophobicContact CD1-CG1 4.13Å; L25-V100 HydrophobicContact CD2-CG1 3.89Å; L30-V100 HydrophobicContact CD1-CG2 3.77Å; L33-V100 HydrophobicContact CD2-CB 4.46Å; L33-V100 HydrophobicContact CD2-CG1 3.97Å; I96-V100 HydrophobicContact CG2-CG2 4.11Å; I96-V100 VanDerWaalsContact O-CB 3.32Å; I96-V100 WeakPolarHBondContact O-CB 3.47Å; I96-V100 VanDerWaalsContact O-CG2 3.22Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 2.94Å; V98-V100 PolarHBondContact O-N 2.84Å; V100-M102 PolarHBondContact O-N 3.23Å; V100-F103 PolarHBondContact O-N 2.71Å; V100-L104 HydrophobicContact CG1-CD1 3.77Å; V100-L104 HydrophobicContact CG1-CG 4.42Å; V100-L104 WeakPolarHBondContact O-CB 3.38Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.42Å; V100-L104 PolarHBondContact O-N 3.41Å
101L98.4Very high97.3Very high1 Ų127.3 Ų27.31%0.00513%0.132CC..Hα-helixtrans-64-42.1179.2-171.463.2000112.1L16 Y20 F64 L67 I68 F71 E97 V98 I99 F103 L104 F105L16-L101 HydrophobicContact CD1-CD1 3.83Å; Y20-L101 HydrophobicContact CE1-CD1 4.16Å; F64-L101 HydrophobicContact CE2-CB 4.21Å; F64-L101 HydrophobicContact CE2-CD2 3.8Å; L67-L101 HydrophobicContact CD2-CD2 3.98Å; L67-L101 HydrophobicContact CG-CD2 4.43Å; I68-L101 HydrophobicContact CD1-CD2 3.71Å; F71-L101 HydrophobicContact CD2-CD2 4.49Å; F71-L101 HydrophobicContact CE2-CD2 3.88Å; E97-L101 WeakPolarHBondContact O-CB 3.39Å; E97-L101 PolarHBondContact O-N 3.22Å; V98-L101 PolarHBondContact O-N 2.99Å; I99-L101 VanDerWaalsContact C-N 3.34Å; L101-F103 PolarHBondContact O-N 3.24Å; L101-L104 PolarHBondContact O-N 3.02Å; L101-F105 HydrophobicContact CD1-CD2 4.13Å; L101-F105 HydrophobicContact CD1-CE2 3.6Å; L101-F105 HydrophobicContact CD1-CZ 3.85Å; L101-F105 HydrophobicContact CD2-CE2 3.96Å; L101-F105 HydrophobicContact CG-CD2 3.92Å; L101-F105 HydrophobicContact CG-CE2 3.58Å; L101-F105 HydrophobicContact CG-CZ 4.34Å; L101-F105 WeakPolarHBondContact O-CD2 3.47Å; L101-F105 PolarHBondContact O-N 3.14Å
102M98.7Very high97.5Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-59.4-44.8174.9-67.4-65.3176.300111.9L67 F84 Y88 V98 I99 V100 K106 F113 I115L67-M102 HydrophobicContact CD1-CE 3.59Å; L67-M102 HydrophobicContact CD2-CE 3.66Å; L67-M102 HydrophobicContact CG-CE 4.29Å; F84-M102 HydrophobicContact CD1-CE 3.62Å; F84-M102 HydrophobicContact CD1-SD 4.34Å; F84-M102 HydrophobicContact CD2-CE 4.38Å; F84-M102 HydrophobicContact CD2-SD 4.13Å; F84-M102 HydrophobicContact CE1-CE 3.51Å; F84-M102 HydrophobicContact CE1-SD 4.45Å; F84-M102 HydrophobicContact CE2-CE 4.28Å; F84-M102 HydrophobicContact CE2-SD 4.25Å; F84-M102 HydrophobicContact CG-CE 4.08Å; F84-M102 HydrophobicContact CG-SD 4.19Å; F84-M102 HydrophobicContact CZ-CE 3.86Å; F84-M102 HydrophobicContact CZ-SD 4.4Å; Y88-M102 HydrophobicContact CD1-CE 4.09Å; Y88-M102 HydrophobicContact CD1-CG 4.44Å; Y88-M102 HydrophobicContact CE1-CE 4.37Å; V98-M102 HydrophobicContact CG1-CE 4.25Å; V98-M102 HydrophobicContact CG1-CG 4.33Å; V98-M102 VanDerWaalsContact O-CG 3.24Å; V98-M102 WeakPolarHBondContact O-CG 3.27Å; V98-M102 PolarHBondContact O-N 3.09Å; I99-M102 HydrophobicContact CD1-CB 4.16Å; I99-M102 PolarHBondContact O-N 3.37Å; V100-M102 PolarHBondContact O-N 3.23Å; M102-K106 VanDerWaalsContact O-CB 3.28Å; M102-K106 WeakPolarHBondContact O-CB 3.39Å; M102-K106 PolarHBondContact O-N 3.04Å; M102-F113 HydrophobicContact CB-CE1 4.43Å; M102-F113 HydrophobicContact SD-CE1 3.59Å; M102-F113 VanDerWaalsContact SD-CE1 3.59Å; M102-F113 HydrophobicContact SD-CZ 3.49Å; M102-F113 WeakPolarHBondContact SD-CZ 3.43Å; M102-I115 HydrophobicContact CB-CG2 4.38Å; M102-I115 HydrophobicContact SD-CG2 4.1Å
103F98.8Very high97.8Very high0 Ų023.6 Ų23.60%011%0.114CC..Hα-helixtrans-70.1-34.2178.9-71.5-8.3000112.7L33 V34 V37 I99 V100 L101 S107 I115 I147 A150 F151L33-F103 HydrophobicContact CD1-CB 4.22Å; L33-F103 HydrophobicContact CD2-CB 4.16Å; L33-F103 HydrophobicContact CG-CB 4.09Å; V34-F103 HydrophobicContact CG2-CD2 4.23Å; V34-F103 HydrophobicContact CG2-CE2 4.2Å; V37-F103 HydrophobicContact CB-CB 4.28Å; V37-F103 HydrophobicContact CB-CG 4.33Å; V37-F103 HydrophobicContact CG1-CB 4.23Å; V37-F103 HydrophobicContact CG1-CD1 4.05Å; V37-F103 HydrophobicContact CG1-CD2 3.92Å; V37-F103 HydrophobicContact CG1-CE1 4.36Å; V37-F103 HydrophobicContact CG1-CE2 4.24Å; V37-F103 HydrophobicContact CG1-CG 3.82Å; V37-F103 HydrophobicContact CG1-CZ 4.45Å; V37-F103 HydrophobicContact CG2-CB 4.34Å; V37-F103 HydrophobicContact CG2-CD1 4.06Å; V37-F103 HydrophobicContact CG2-CG 4.3Å; I99-F103 HydrophobicContact CD1-CD1 4.08Å; I99-F103 HydrophobicContact CD1-CE1 3.61Å; I99-F103 HydrophobicContact CD1-CZ 3.87Å; I99-F103 HydrophobicContact CG1-CD1 4.12Å; I99-F103 HydrophobicContact CG1-CD2 4.15Å; I99-F103 HydrophobicContact CG1-CE1 3.73Å; I99-F103 HydrophobicContact CG1-CE2 3.75Å; I99-F103 HydrophobicContact CG1-CG 4.33Å; I99-F103 HydrophobicContact CG1-CZ 3.52Å; I99-F103 WeakPolarHBondContact O-CB 3.42Å; I99-F103 VanDerWaalsContact O-CG 3.3Å; I99-F103 WeakPolarHBondContact O-CG 3.26Å; I99-F103 PolarHBondContact O-N 3.37Å; V100-F103 PolarHBondContact O-N 2.71Å; L101-F103 PolarHBondContact O-N 3.24Å; F103-S107 WeakPolarHBondContact O-CB 3.17Å; F103-S107 PolarHBondContact O-N 3.17Å; F103-S107 PolarHBondContact O-OG 3.26Å; F103-I115 HydrophobicContact CD1-CD1 3.96Å; F103-I115 HydrophobicContact CE1-CD1 4.03Å; F103-I147 HydrophobicContact CE2-CG2 4.25Å; F103-I147 HydrophobicContact CZ-CG2 4.47Å; F103-A150 HydrophobicContact CE1-CB 4.39Å; F103-A150 HydrophobicContact CE2-CB 3.94Å; F103-A150 HydrophobicContact CZ-CB 3.6Å; F103-F151 HydrophobicContact CE1-CE1 4.41Å; F103-F151 HydrophobicContact CZ-CD1 4.1Å; F103-F151 AromaticContact CZ-CE1 3.86Å; F103-F151 HydrophobicContact CZ-CE1 3.86Å
104L98.4Very high98.1Very high0 Ų016.2 Ų16.20%09%0.086CC..Hα-helixtrans-63.1-53.4172.9-76166.2000110.8L12 L15 L16 S19 L33 V100 L101 K106 S107 L108L12-L104 HydrophobicContact CD2-CD2 3.96Å; L15-L104 HydrophobicContact CB-CD1 4.21Å; L15-L104 HydrophobicContact CB-CD2 3.53Å; L15-L104 HydrophobicContact CD1-CD2 4.15Å; L15-L104 HydrophobicContact CG-CD2 4.46Å; L16-L104 HydrophobicContact CD1-CB 4.49Å; L16-L104 HydrophobicContact CD1-CD1 4.47Å; S19-L104 WeakPolarHBondContact OG-CD1 3.29Å; L33-L104 HydrophobicContact CD1-CD2 3.66Å; L33-L104 HydrophobicContact CD1-CG 3.98Å; L33-L104 HydrophobicContact CD2-CD2 4.11Å; L33-L104 HydrophobicContact CD2-CG 3.85Å; V100-L104 HydrophobicContact CG1-CD1 3.77Å; V100-L104 HydrophobicContact CG1-CG 4.42Å; V100-L104 WeakPolarHBondContact O-CB 3.38Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.42Å; V100-L104 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 3.02Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.12Å; L104-S107 PolarHBondContact O-N 3.5Å; L104-S107 VanDerWaalsContact O-N 3.09Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 WeakPolarHBondContact O-CG 3.25Å; L104-L108 PolarHBondContact O-N 3.15Å
105F98.4Very high98.2Very high0 Ų015.1 Ų15.10%08%0.081CC..Hα-helixtrans-62.8-39.1177.9-71.9-41.7000112.6L16 Y20 F71 W76 P77 L101 S107 L108 F109 F113L16-F105 HydrophobicContact CD1-CE1 3.94Å; L16-F105 HydrophobicContact CD1-CZ 4.31Å; L16-F105 HydrophobicContact CD2-CE1 4.46Å; Y20-F105 HydrophobicContact CE1-CZ 4.19Å; Y20-F105 WeakPolarHBondContact OH-CE1 3.34Å; Y20-F105 WeakPolarHBondContact OH-CZ 3.36Å; F71-F105 HydrophobicContact CD2-CE2 4.16Å; F71-F105 HydrophobicContact CE2-CD2 4.26Å; F71-F105 AromaticContact CE2-CE2 3.6Å; F71-F105 HydrophobicContact CE2-CE2 3.6Å; F71-F105 HydrophobicContact CZ-CD2 4.12Å; F71-F105 AromaticContact CZ-CE2 3.87Å; F71-F105 HydrophobicContact CZ-CE2 3.87Å; W76-F105 HydrophobicContact CE3-CZ 4.14Å; W76-F105 HydrophobicContact CZ3-CZ 4.18Å; P77-F105 HydrophobicContact CB-CD1 4.17Å; P77-F105 HydrophobicContact CB-CE1 4.38Å; P77-F105 HydrophobicContact CB-CG 4.39Å; P77-F105 HydrophobicContact CG-CD1 4.29Å; P77-F105 HydrophobicContact CG-CD2 4.12Å; P77-F105 HydrophobicContact CG-CE1 4.32Å; P77-F105 HydrophobicContact CG-CE2 4.14Å; P77-F105 HydrophobicContact CG-CG 4.19Å; P77-F105 HydrophobicContact CG-CZ 4.24Å; L101-F105 HydrophobicContact CD1-CD2 4.13Å; L101-F105 HydrophobicContact CD1-CE2 3.6Å; L101-F105 HydrophobicContact CD1-CZ 3.85Å; L101-F105 HydrophobicContact CD2-CE2 3.96Å; L101-F105 HydrophobicContact CG-CD2 3.92Å; L101-F105 HydrophobicContact CG-CE2 3.58Å; L101-F105 HydrophobicContact CG-CZ 4.34Å; L101-F105 WeakPolarHBondContact O-CD2 3.47Å; L101-F105 PolarHBondContact O-N 3.14Å; F105-S107 VanDerWaalsContact C-N 3.28Å; F105-S107 PolarHBondContact O-N 2.87Å; F105-L108 PolarHBondContact O-N 3.29Å; F105-F109 HydrophobicContact CB-CD2 4.48Å; F105-F109 AromaticContact CD1-CD2 3.93Å; F105-F109 HydrophobicContact CD1-CD2 3.93Å; F105-F109 AromaticContact CD1-CE2 3.78Å; F105-F109 HydrophobicContact CD1-CE2 3.78Å; F105-F109 HydrophobicContact CE1-CE2 4.27Å; F105-F109 WeakPolarHBondContact O-CA 3.37Å; F105-F109 WeakPolarHBondContact O-CB 3.06Å; F105-F109 PolarHBondContact O-N 2.96Å; F105-F113 HydrophobicContact CB-CB 4.13Å; F105-F113 HydrophobicContact CB-CD1 3.61Å; F105-F113 HydrophobicContact CB-CD2 3.67Å; F105-F113 HydrophobicContact CB-CE1 3.82Å; F105-F113 HydrophobicContact CB-CE2 3.88Å; F105-F113 HydrophobicContact CB-CG 3.52Å; F105-F113 HydrophobicContact CB-CZ 3.95Å; F105-F113 HydrophobicContact CD2-CD2 4.32Å; F105-F113 AromaticContact CD2-CE2 3.77Å; F105-F113 HydrophobicContact CD2-CE2 3.77Å; F105-F113 AromaticContact CD2-CZ 3.89Å; F105-F113 HydrophobicContact CD2-CZ 3.89Å; F105-F113 HydrophobicContact CG-CD2 4.22Å; F105-F113 HydrophobicContact CG-CE2 4.13Å; F105-F113 HydrophobicContact CG-CZ 4.37Å
106K98.5Very high98.2Very high0 Ų015.1 Ų15.10%08%0.081CC..Hα-helixtrans-61.5-38.2173.7-178.458.8-178.6173.30112.3V37 E44 M102 L104 P110 F113 I115V37-K106 HydrophobicContact CG2-CB 3.92Å; V37-K106 HydrophobicContact CG2-CG 3.61Å; E44-K106 WeakPolarHBondContact OE1-CE 3.15Å; E44-K106 IonicContact OE1-NZ 2.7Å; E44-K106 PolarHBondContact OE1-NZ 2.84Å; E44-K106 WeakPolarHBondContact OE2-CE 3.2Å; E44-K106 IonicContact OE2-NZ 3.25Å; E44-K106 PolarHBondContact OE2-NZ 2.95Å; M102-K106 VanDerWaalsContact O-CB 3.28Å; M102-K106 WeakPolarHBondContact O-CB 3.39Å; M102-K106 PolarHBondContact O-N 3.04Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.12Å; K106-P110 PolarHBondContact NZ-O 3.09Å; K106-P110 VanDerWaalsContact O-CA 3.27Å; K106-P110 WeakPolarHBondContact O-CA 3.44Å; K106-F113 HydrophobicContact CB-CD1 4.44Å; K106-F113 WeakPolarHBondContact CD-O 3.25Å; K106-F113 PolarHBondContact NZ-O 2.78Å; K106-I115 HydrophobicContact CB-CD1 4.26Å; K106-I115 HydrophobicContact CG-CD1 4.34Å; K106-I115 HydrophobicContact CG-CG1 4.46Å
107S98Very high98.2Very high15 Ų1515.6 Ų15.611%0.1058%0.083CC..Hα-helixtrans-75.7-37-178.9-610000113.1F103 L104 F105F103-S107 WeakPolarHBondContact O-CB 3.17Å; F103-S107 PolarHBondContact O-N 3.17Å; F103-S107 PolarHBondContact O-OG 3.26Å; L104-S107 PolarHBondContact O-N 3.5Å; L104-S107 VanDerWaalsContact O-N 3.09Å; F105-S107 VanDerWaalsContact C-N 3.28Å; F105-S107 PolarHBondContact O-N 2.87Å
108L96.5Very high98.2Very high28 Ų2814.3 Ų14.315%0.1478%0.077CC..Hα-helixtrans-76.7-39.3178-71.2168.2000111.8P5 L12 L16 L104 F105 P110P5-L108 HydrophobicContact CB-CD2 3.73Å; L12-L108 HydrophobicContact CB-CD2 3.51Å; L12-L108 HydrophobicContact CB-CG 4.07Å; L12-L108 HydrophobicContact CD1-CD2 3.87Å; L12-L108 HydrophobicContact CD1-CG 4.22Å; L12-L108 HydrophobicContact CG-CD2 4.33Å; L16-L108 HydrophobicContact CB-CD1 4.41Å; L16-L108 HydrophobicContact CD2-CD1 3.75Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 WeakPolarHBondContact O-CG 3.25Å; L104-L108 PolarHBondContact O-N 3.15Å; F105-L108 PolarHBondContact O-N 3.29Å; L108-P110 VanDerWaalsContact C-CD 3.47Å; L108-P110 WeakPolarHBondContact O-CD 3.26Å
109F97.3Very high98.1Very high15 Ų1514.5 Ų14.57%0.0668%0.078CC..  trans-130.658.6-169.3-45.8-58.8000112.2P5 P77 P78 F105 N111 D112 F113P5-F109 HydrophobicContact CB-CE1 3.78Å; P5-F109 HydrophobicContact CB-CZ 3.98Å; P5-F109 HydrophobicContact CG-CE1 3.61Å; P5-F109 HydrophobicContact CG-CZ 4.02Å; P77-F109 HydrophobicContact CB-CD2 4.09Å; P77-F109 HydrophobicContact CB-CE2 4.43Å; P78-F109 HydrophobicContact CB-CB 4.28Å; P78-F109 HydrophobicContact CB-CD1 3.61Å; P78-F109 HydrophobicContact CB-CD2 4.25Å; P78-F109 HydrophobicContact CB-CE1 3.93Å; P78-F109 HydrophobicContact CB-CG 3.79Å; P78-F109 HydrophobicContact CB-CZ 4.4Å; P78-F109 HydrophobicContact CG-CD1 3.76Å; P78-F109 HydrophobicContact CG-CE1 3.53Å; P78-F109 HydrophobicContact CG-CE2 4.43Å; P78-F109 HydrophobicContact CG-CG 4.31Å; P78-F109 HydrophobicContact CG-CZ 3.92Å; F105-F109 HydrophobicContact CB-CD2 4.48Å; F105-F109 AromaticContact CD1-CD2 3.93Å; F105-F109 HydrophobicContact CD1-CD2 3.93Å; F105-F109 AromaticContact CD1-CE2 3.78Å; F105-F109 HydrophobicContact CD1-CE2 3.78Å; F105-F109 HydrophobicContact CE1-CE2 4.27Å; F105-F109 WeakPolarHBondContact O-CA 3.37Å; F105-F109 WeakPolarHBondContact O-CB 3.06Å; F105-F109 PolarHBondContact O-N 2.96Å; F109-N111 PolarHBondContact O-N 3.44Å; F109-D112 HydrophobicContact CB-CB 4.17Å; F109-D112 PolarHBondContact O-N 3.31Å; F109-F113 HydrophobicContact CB-CB 4.38Å; F109-F113 PolarHBondContact O-N 2.87Å
110P97.3Very high98Very high39 Ų3914.7 Ų14.725%0.2538%0.079SC..THydrogen-bonded Turntrans-60.3-22.3-170.622.8-34.5000115.1I40 K106 L108I40-P110 HydrophobicContact CD1-CB 4.28Å; I40-P110 HydrophobicContact CG2-CB 3.94Å; K106-P110 PolarHBondContact NZ-O 3.09Å; K106-P110 VanDerWaalsContact O-CA 3.27Å; K106-P110 WeakPolarHBondContact O-CA 3.44Å; L108-P110 VanDerWaalsContact C-CD 3.47Å; L108-P110 WeakPolarHBondContact O-CD 3.26Å
111N96.8Very high97.9Very high114 Ų11414.5 Ų14.561%0.618%0.077SC*.THydrogen-bonded Turntrans-101.62.5-179.7-59.3-40.3000113.7R81 F109 Y114R81-N111 PolarHBondContact NE-O 3.37Å; R81-N111 PolarHBondContact NH2-O 3.28Å; F109-N111 PolarHBondContact O-N 3.44Å; N111-Y114 VanDerWaalsContact O-CZ 3.32Å; N111-Y114 PolarHBondContact O-OH 2.99Å
112D98Very high97.7Very high51 Ų5115.6 Ų15.627%0.2739%0.085SC..THydrogen-bonded Turntrans-129.7-19.6-177.3-60.7-67000111.8P78 R81 Y82 F109P78-D112 HydrophobicContact CB-CB 4.33Å; R81-D112 CarbonylContact C-O 3.57Å; R81-D112 WeakPolarHBondContact CA-O 3.3Å; R81-D112 WeakPolarHBondContact CD-OD1 3.35Å; R81-D112 HydrophobicContact CG-CB 3.89Å; R81-D112 VanDerWaalsContact CG-OD1 3.28Å; R81-D112 WeakPolarHBondContact CG-OD1 3.43Å; R81-D112 IonicContact NE-OD1 3.72Å; R81-D112 PolarHBondContact NE-OD1 2.84Å; Y82-D112 PolarHBondContact N-O 3.28Å; F109-D112 HydrophobicContact CB-CB 4.17Å; F109-D112 PolarHBondContact O-N 3.31Å
113F98.6Very high97.4Very high0 Ų017.8 Ų17.80%010%0.095CC..EExtended strand (participates in β ladder)trans-121.3111.7176.2-157.9-91.4000110.4F71 P77 Y82 F84 M102 F105 K106 F109 I115F71-F113 AromaticContact CE1-CE2 3.93Å; F71-F113 HydrophobicContact CE1-CE2 3.93Å; F71-F113 HydrophobicContact CE1-CZ 4.46Å; F71-F113 AromaticContact CZ-CE2 3.93Å; F71-F113 HydrophobicContact CZ-CE2 3.93Å; F71-F113 HydrophobicContact CZ-CZ 4.08Å; P77-F113 HydrophobicContact CB-CD2 3.98Å; P77-F113 HydrophobicContact CG-CD2 3.62Å; P77-F113 HydrophobicContact CG-CE2 3.7Å; Y82-F113 HydrophobicContact CD2-CD2 4.41Å; Y82-F113 HydrophobicContact CD2-CE2 4.42Å; Y82-F113 HydrophobicContact CG-CD2 4.45Å; Y82-F113 HydrophobicContact CG-CE2 4.29Å; F84-F113 HydrophobicContact CD2-CE1 4.26Å; F84-F113 HydrophobicContact CD2-CE2 4.24Å; F84-F113 AromaticContact CD2-CZ 3.78Å; F84-F113 HydrophobicContact CD2-CZ 3.78Å; F84-F113 HydrophobicContact CE2-CE1 4.4Å; F84-F113 AromaticContact CE2-CE2 3.7Å; F84-F113 HydrophobicContact CE2-CE2 3.7Å; F84-F113 AromaticContact CE2-CZ 3.48Å; F84-F113 HydrophobicContact CE2-CZ 3.48Å; F84-F113 VanDerWaalsContact CE2-CZ 3.48Å; F84-F113 HydrophobicContact CZ-CZ 4.4Å; M102-F113 HydrophobicContact CB-CE1 4.43Å; M102-F113 HydrophobicContact SD-CE1 3.59Å; M102-F113 VanDerWaalsContact SD-CE1 3.59Å; M102-F113 HydrophobicContact SD-CZ 3.49Å; M102-F113 WeakPolarHBondContact SD-CZ 3.43Å; F105-F113 HydrophobicContact CB-CB 4.13Å; F105-F113 HydrophobicContact CB-CD1 3.61Å; F105-F113 HydrophobicContact CB-CD2 3.67Å; F105-F113 HydrophobicContact CB-CE1 3.82Å; F105-F113 HydrophobicContact CB-CE2 3.88Å; F105-F113 HydrophobicContact CB-CG 3.52Å; F105-F113 HydrophobicContact CB-CZ 3.95Å; F105-F113 HydrophobicContact CD2-CD2 4.32Å; F105-F113 AromaticContact CD2-CE2 3.77Å; F105-F113 HydrophobicContact CD2-CE2 3.77Å; F105-F113 AromaticContact CD2-CZ 3.89Å; F105-F113 HydrophobicContact CD2-CZ 3.89Å; F105-F113 HydrophobicContact CG-CD2 4.22Å; F105-F113 HydrophobicContact CG-CE2 4.13Å; F105-F113 HydrophobicContact CG-CZ 4.37Å; K106-F113 HydrophobicContact CB-CD1 4.44Å; K106-F113 WeakPolarHBondContact CD-O 3.25Å; K106-F113 PolarHBondContact NZ-O 2.78Å; F109-F113 HydrophobicContact CB-CB 4.38Å; F109-F113 PolarHBondContact O-N 2.87Å; F113-I115 HydrophobicContact CD1-CG2 4Å; F113-I115 HydrophobicContact CE1-CG2 3.6Å
114Y98.9Very high97.1Very high21 Ų2120.7 Ų20.78%0.08212%0.119CC..EExtended strand (participates in β ladder)trans-115.6135.3-177.1-53.9-80.2000109.7L48 V50 R81 Y82 L83 F84 N111L48-Y114 HydrophobicContact CD1-CD1 3.92Å; L48-Y114 HydrophobicContact CD1-CG 4.3Å; V50-Y114 HydrophobicContact CB-CE2 4.29Å; V50-Y114 HydrophobicContact CG1-CD2 3.93Å; V50-Y114 HydrophobicContact CG1-CE2 3.41Å; V50-Y114 VanDerWaalsContact CG1-CE2 3.41Å; V50-Y114 HydrophobicContact CG2-CD1 4.05Å; V50-Y114 HydrophobicContact CG2-CD2 3.96Å; V50-Y114 HydrophobicContact CG2-CE1 3.91Å; V50-Y114 HydrophobicContact CG2-CE2 3.85Å; V50-Y114 HydrophobicContact CG2-CG 4.05Å; R81-Y114 PolarHBondContact NH2-OH 2.68Å; Y82-Y114 WeakPolarHBondContact O-CB 3.35Å; Y82-Y114 VanDerWaalsContact O-CD2 3.29Å; Y82-Y114 WeakPolarHBondContact O-CD2 3.45Å; Y82-Y114 PolarHBondContact O-N 2.75Å; L83-Y114 WeakPolarHBondContact CA-O 3.22Å; F84-Y114 PolarHBondContact N-O 3.08Å; N111-Y114 VanDerWaalsContact O-CZ 3.32Å; N111-Y114 PolarHBondContact O-OH 2.99Å
115I98.9Very high96.9Very high0 Ų021.2 Ų21.20%012%0.122CC..EExtended strand (participates in β ladder)trans-129124.8178.953.6175.3000108.1F84 Y88 M102 F103 K106 F113 L154F84-I115 HydrophobicContact CB-CG2 4.25Å; Y88-I115 HydrophobicContact CE2-CB 4.44Å; M102-I115 HydrophobicContact CB-CG2 4.38Å; M102-I115 HydrophobicContact SD-CG2 4.1Å; F103-I115 HydrophobicContact CD1-CD1 3.96Å; F103-I115 HydrophobicContact CE1-CD1 4.03Å; K106-I115 HydrophobicContact CB-CD1 4.26Å; K106-I115 HydrophobicContact CG-CD1 4.34Å; K106-I115 HydrophobicContact CG-CG1 4.46Å; F113-I115 HydrophobicContact CD1-CG2 4Å; F113-I115 HydrophobicContact CE1-CG2 3.6Å; I115-L154 HydrophobicContact CB-CD2 4.5Å; I115-L154 HydrophobicContact CD1-CD2 3.66Å; I115-L154 HydrophobicContact CG1-CD2 3.73Å
116L98.8Very high96.8Very high0 Ų021.2 Ų21.20%012%0.122CC..  trans-95.5168.8173.7-57.2-177.8000110.2L48 L83 F84 L85 Y88 P155 A157L48-L116 HydrophobicContact CD1-CD2 3.72Å; L48-L116 HydrophobicContact CG-CD2 4.17Å; L83-L116 HydrophobicContact CD1-CD1 4.06Å; L83-L116 HydrophobicContact CD1-CD2 4.03Å; L83-L116 HydrophobicContact CD1-CG 3.76Å; L83-L116 HydrophobicContact CG-CD1 4.5Å; F84-L116 WeakPolarHBondContact O-CB 3.37Å; F84-L116 WeakPolarHBondContact O-CG 3.17Å; F84-L116 PolarHBondContact O-N 2.97Å; L85-L116 HydrophobicContact CD2-CD1 3.71Å; Y88-L116 VanDerWaalsContact CE2-O 3.26Å; Y88-L116 WeakPolarHBondContact CE2-O 3.39Å; Y88-L116 PolarHBondContact OH-N 3.46Å; Y88-L116 PolarHBondContact OH-O 2.85Å; L116-P155 CarbonylContact C-O 3.51Å; L116-P155 WeakPolarHBondContact CA-O 3.48Å; L116-P155 HydrophobicContact CD2-CB 3.93Å; L116-A157 VanDerWaalsContact CD2-C 3.49Å; L116-A157 WeakPolarHBondContact CD2-O 3.41Å
117R98Very high96.6Very high12 Ų1227.3 Ų27.35%0.04515%0.145CC..  trans-85.2128.3175.7-168.2170-172.8161.10.1110.6E121 F151 A152 L154 P155 I156 L188 L200R117-E121 HydrophobicContact CG-CB 4.07Å; R117-E121 VanDerWaalsContact CZ-O 3.29Å; R117-E121 PolarHBondContact NE-O 2.76Å; R117-E121 PolarHBondContact NH2-O 2.78Å; R117-F151 PolarHBondContact NH1-O 3.25Å; R117-A152 PolarHBondContact NH1-O 3.15Å; R117-L154 HydrophobicContact CB-CB 3.64Å; R117-L154 HydrophobicContact CB-CD1 4.46Å; R117-L154 HydrophobicContact CG-CB 4.11Å; R117-L154 HydrophobicContact CG-CD1 4.49Å; R117-P155 VanDerWaalsContact CB-O 3.31Å; R117-P155 WeakPolarHBondContact CB-O 3.48Å; R117-P155 PolarHBondContact N-O 3.39Å; R117-I156 HydrophobicContact CB-CD1 4.19Å; R117-L188 VanDerWaalsContact NH1-CB 3.34Å; R117-L200 HydrophobicContact CG-CD1 4.45Å; R117-L200 WeakPolarHBondContact O-CD2 3.13Å
118G97.7Very high96.5Very high0 Ų032 Ų320%017%0.174CC..  trans-94.7-178.8162.800000112.7H120 E121 H168G118-H120 VanDerWaalsContact C-N 3.29Å; G118-E121 WeakPolarHBondContact CA-OE2 3.4Å; G118-E121 PolarHBondContact N-OE2 3Å; G118-E121 PolarHBondContact O-N 2.98Å; G118-H168 VanDerWaalsContact CA-CD2 3.41Å; G118-H168 WeakPolarHBondContact CA-CD2 3.09Å; G118-H168 VanDerWaalsContact CA-CG 3.49Å
119N96Very high96.4Very high3 Ų336 Ų362%0.01619%0.187CC..SBendtrans-76.2-21.8176.266.2-68.5000112D87 C122 V125 H168 L200 W201 H243D87-N119 PolarHBondContact OD1-N 3.41Å; D87-N119 VanDerWaalsContact OD1-N 3.09Å; D87-N119 PolarHBondContact OD1-OD1 2.71Å; D87-N119 VanDerWaalsContact OD1-OD1 3.1Å; D87-N119 PolarHBondContact OD2-OD1 2.92Å; N119-C122 PolarHBondContact O-SG 2.81Å; N119-V125 WeakPolarHBondContact O-CB 3.37Å; N119-V125 WeakPolarHBondContact O-CG2 3.47Å; N119-H168 PolarHBondContact N-CD2 2.95Å; N119-H168 VanDerWaalsContact N-CD2 3.31Å; N119-H168 PolarHBondContact OD1-CD2 2.7Å; N119-H168 VanDerWaalsContact OD1-CD2 3.26Å; N119-H168 PolarHBondContact OD1-NE2 3.39Å; N119-L200 HydrophobicContact CB-CB 4.31Å; N119-W201 HydrophobicContact CB-CD2 3.9Å; N119-W201 VanDerWaalsContact CB-CE2 3.44Å; N119-W201 HydrophobicContact CB-CE3 4.49Å; N119-W201 HydrophobicContact CB-CG 4.32Å; N119-W201 HydrophobicContact CB-CH2 4.33Å; N119-W201 HydrophobicContact CB-CZ2 3.71Å; N119-W201 VanDerWaalsContact ND2-CH2 3.29Å; N119-W201 WeakPolarHBondContact ND2-CH2 3.48Å; N119-W201 WeakPolarHBondContact ND2-CZ3 3.14Å; N119-H243 VanDerWaalsContact CG-CE1 3.47Å; N119-H243 PolarHBondContact OD1-CE1 2.93Å; N119-H243 PolarHBondContact OD1-ND1 3.14Å
120H97Very high96.4Very high5 Ų536.6 Ų36.62%0.02320%0.198CC..SBendtrans-78.5-17.8173.9-75.9-97.8000113.4H61 D87 V89 D90 G118 C122 V125 N126 Y129H61-H120 AromaticContact CE1-CD2 3.7Å; H61-H120 AromaticContact CE1-CG 3.9Å; H61-H120 AromaticContact CE1-NE2 3.85Å; D87-H120 HydrophobicContact CB-CB 4.45Å; D87-H120 VanDerWaalsContact CG-CD2 3.41Å; D87-H120 WeakPolarHBondContact OD1-CB 3.28Å; D87-H120 IonicContact OD1-CD2 2.97Å; D87-H120 PolarHBondContact OD1-CD2 2.87Å; D87-H120 IonicContact OD1-CG 2.75Å; D87-H120 PolarHBondContact OD1-N 3.04Å; D87-H120 IonicContact OD2-CD2 3.57Å; D87-H120 PolarHBondContact OD2-CD2 3.24Å; V89-H120 HydrophobicContact CG2-CB 4.41Å; D90-H120 WeakPolarHBondContact CB-ND1 3.23Å; D90-H120 IonicContact OD2-CE1 3.17Å; D90-H120 IonicContact OD2-CG 2.66Å; D90-H120 IonicContact OD2-ND1 2.88Å; D90-H120 PolarHBondContact OD2-ND1 2.85Å; G118-H120 VanDerWaalsContact C-N 3.29Å; H120-C122 PolarHBondContact O-N 3Å; H120-V125 HydrophobicContact CB-CG1 4.35Å; H120-V125 WeakPolarHBondContact ND1-CG1 3.27Å; H120-N126 VanDerWaalsContact O-CB 3.25Å; H120-N126 WeakPolarHBondContact O-CB 3.23Å; H120-N126 PolarHBondContact O-ND2 3.39Å; H120-N126 VanDerWaalsContact O-ND2 3.15Å; H120-Y129 AromaticContact CE1-CG 3.8Å
121E96.7Very high96.4Very high0 Ų034.7 Ų34.70%019%0.186CC..SBendtrans-80.351.1171.3-70.767.5-129.600111.5D87 Y88 R117 G118 F151 L154D87-E121 WeakPolarHBondContact CA-OE1 3.19Å; D87-E121 PolarHBondContact N-OE2 3.46Å; Y88-E121 HydrophobicContact CD2-CG 3.77Å; Y88-E121 WeakPolarHBondContact CD2-OE1 3.31Å; Y88-E121 HydrophobicContact CE2-CG 4.19Å; Y88-E121 PolarHBondContact N-OE1 2.77Å; R117-E121 HydrophobicContact CG-CB 4.07Å; R117-E121 VanDerWaalsContact CZ-O 3.29Å; R117-E121 PolarHBondContact NE-O 2.76Å; R117-E121 PolarHBondContact NH2-O 2.78Å; G118-E121 WeakPolarHBondContact CA-OE2 3.4Å; G118-E121 PolarHBondContact N-OE2 3Å; G118-E121 PolarHBondContact O-N 2.98Å; E121-F151 HydrophobicContact CB-CB 4.04Å; E121-F151 HydrophobicContact CB-CD1 4.06Å; E121-F151 HydrophobicContact CB-CD2 3.92Å; E121-F151 HydrophobicContact CB-CE1 4.48Å; E121-F151 HydrophobicContact CB-CE2 4.38Å; E121-F151 HydrophobicContact CB-CG 3.75Å; E121-F151 HydrophobicContact CG-CD1 3.81Å; E121-F151 HydrophobicContact CG-CD2 4.09Å; E121-F151 HydrophobicContact CG-CE1 3.78Å; E121-F151 HydrophobicContact CG-CE2 4.09Å; E121-F151 HydrophobicContact CG-CG 3.97Å; E121-F151 HydrophobicContact CG-CZ 3.93Å; E121-L154 HydrophobicContact CB-CD1 3.84Å; E121-L154 HydrophobicContact CG-CD1 3.7Å
122C94.1Very high96.5Very high25 Ų2532 Ų3217%0.16917%0.167CC..SBendtrans-150.6145172.480.70000112.6N119 H120 A124 V125 N126N119-C122 PolarHBondContact O-SG 2.81Å; H120-C122 PolarHBondContact O-N 3Å; C122-A124 PolarHBondContact O-N 2.88Å; C122-V125 PolarHBondContact O-N 3.05Å; C122-V125 WeakPolarHBondContact SG-CG2 3.4Å; C122-N126 VanDerWaalsContact O-CG 3.27Å; C122-N126 PolarHBondContact O-N 3.27Å; C122-N126 PolarHBondContact O-OD1 2.96Å
123H92.7Very high96.5Very high45 Ų4535 Ų3521%0.20818%0.179CC..Hα-helixtrans-58.7-33.1-174.8176.9-81.7000113.7V125 N126 R127 Y144 I190H123-V125 VanDerWaalsContact C-N 3.27Å; H123-V125 PolarHBondContact O-N 2.93Å; H123-N126 WeakPolarHBondContact CA-OD1 3.24Å; H123-R127 VanDerWaalsContact CE1-CD 3.49Å; H123-R127 WeakPolarHBondContact CE1-CD 3.41Å; H123-R127 PolarHBondContact CE1-NH1 2.88Å; H123-R127 VanDerWaalsContact CE1-NH1 3.27Å; H123-R127 PolarHBondContact NE2-NH1 2.66Å; H123-R127 WeakPolarHBondContact O-CB 3.4Å; H123-R127 PolarHBondContact O-N 3.22Å; H123-Y144 AromaticContact CD2-CE1 3.57Å; H123-Y144 AromaticContact CD2-CZ 3.78Å; H123-Y144 PolarHBondContact CD2-OH 3.39Å; H123-Y144 AromaticContact NE2-CE1 3.97Å; H123-I190 HydrophobicContact CB-CD1 4.33Å; H123-I190 HydrophobicContact CB-CG1 4.39Å
124A91.7Very high96.4Very high62 Ų6235.8 Ų35.851%0.51218%0.183SC..Hα-helixtrans-68.6-28.4-179.700000112.7C122 I190C122-A124 PolarHBondContact O-N 2.88Å; A124-I190 HydrophobicContact CB-CG2 4.43Å
125V94.7Very high96.4Very high10 Ų1034.8 Ų34.86%0.06118%0.18CC..Hα-helixtrans-93.3-60.9-179.8176.60000109.5N119 H120 C122 H123 R127 V128 Y129 W201N119-V125 WeakPolarHBondContact O-CB 3.37Å; N119-V125 WeakPolarHBondContact O-CG2 3.47Å; H120-V125 HydrophobicContact CB-CG1 4.35Å; H120-V125 WeakPolarHBondContact ND1-CG1 3.27Å; C122-V125 PolarHBondContact O-N 3.05Å; C122-V125 WeakPolarHBondContact SG-CG2 3.4Å; H123-V125 VanDerWaalsContact C-N 3.27Å; H123-V125 PolarHBondContact O-N 2.93Å; V125-R127 PolarHBondContact O-N 3.01Å; V125-V128 PolarHBondContact O-N 3.42Å; V125-Y129 HydrophobicContact CG1-CD2 3.56Å; V125-Y129 HydrophobicContact CG1-CE2 3.92Å; V125-Y129 HydrophobicContact CG1-CG 4.39Å; V125-Y129 WeakPolarHBondContact O-CD2 3.26Å; V125-Y129 PolarHBondContact O-N 2.98Å; V125-W201 HydrophobicContact CG2-CH2 3.96Å; V125-W201 HydrophobicContact CG2-CZ2 3.59Å
126N96.4Very high96.3Very high0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-72.5-4.6-170.270.37.2000115.5V89 D90 H120 C122 H123 V128 F131 Y132 Y144 Q148 F151V89-N126 HydrophobicContact CG2-CB 4.13Å; D90-N126 WeakPolarHBondContact OD1-CA 3.36Å; D90-N126 WeakPolarHBondContact OD2-CA 3.4Å; D90-N126 WeakPolarHBondContact OD2-CB 3.3Å; H120-N126 VanDerWaalsContact O-CB 3.25Å; H120-N126 WeakPolarHBondContact O-CB 3.23Å; H120-N126 PolarHBondContact O-ND2 3.39Å; H120-N126 VanDerWaalsContact O-ND2 3.15Å; C122-N126 VanDerWaalsContact O-CG 3.27Å; C122-N126 PolarHBondContact O-N 3.27Å; C122-N126 PolarHBondContact O-OD1 2.96Å; H123-N126 WeakPolarHBondContact CA-OD1 3.24Å; N126-V128 VanDerWaalsContact C-N 3.3Å; N126-F131 HydrophobicContact CB-CB 3.97Å; N126-F131 HydrophobicContact CB-CD1 4.38Å; N126-F131 PolarHBondContact O-N 3.22Å; N126-Y132 PolarHBondContact O-N 3.15Å; N126-Y144 PolarHBondContact OD1-OH 3.11Å; N126-Q148 PolarHBondContact ND2-NE2 3.32Å; N126-Q148 PolarHBondContact ND2-OE1 2.97Å; N126-Q148 PolarHBondContact OD1-NE2 3.05Å; N126-F151 WeakPolarHBondContact ND2-CE2 3.22Å
127R95.4Very high96.3Very high128 Ų12845.9 Ų45.948%0.48323%0.231SC..THydrogen-bonded Turntrans-70.3-25.7163.5-172.7167.7-173.5137.12.9113.8H123 V125 Y132H123-R127 VanDerWaalsContact CE1-CD 3.49Å; H123-R127 WeakPolarHBondContact CE1-CD 3.41Å; H123-R127 PolarHBondContact CE1-NH1 2.88Å; H123-R127 VanDerWaalsContact CE1-NH1 3.27Å; H123-R127 PolarHBondContact NE2-NH1 2.66Å; H123-R127 WeakPolarHBondContact O-CB 3.4Å; H123-R127 PolarHBondContact O-N 3.22Å; V125-R127 PolarHBondContact O-N 3.01Å; R127-Y132 HydrophobicContact CG-CD1 4.23Å; R127-Y132 HydrophobicContact CG-CG 4.3Å
128V94.9Very high96.3Very high115 Ų11548.6 Ų48.670%0.69724%0.242SC*.THydrogen-bonded Turntrans-106.5-28-172.9-175.60000112V125 N126V125-V128 PolarHBondContact O-N 3.42Å; N126-V128 VanDerWaalsContact C-N 3.3Å
129Y95.6Very high96.3Very high110 Ų11050.2 Ų50.243%0.43125%0.248SC..SBendtrans-98.76.3-170-74.6-89.8000115.5D90 R91 H120 V125D90-Y129 WeakPolarHBondContact CB-O 3.47Å; R91-Y129 PolarHBondContact N-O 2.99Å; H120-Y129 AromaticContact CE1-CG 3.8Å; V125-Y129 HydrophobicContact CG1-CD2 3.56Å; V125-Y129 HydrophobicContact CG1-CE2 3.92Å; V125-Y129 HydrophobicContact CG1-CG 4.39Å; V125-Y129 WeakPolarHBondContact O-CD2 3.26Å; V125-Y129 PolarHBondContact O-N 2.98Å
130G95.3Very high96.4Very high28 Ų2851.2 Ų51.229%0.28926%0.255SS..SBendtrans128-32.4165.500000115.1D90 Y132 Q133 E134D90-G130 PolarHBondContact OD1-N 2.99Å; D90-G130 VanDerWaalsContact OD1-N 3.17Å; G130-Y132 PolarHBondContact O-N 2.94Å; G130-Q133 WeakPolarHBondContact O-CB 3.36Å; G130-Q133 PolarHBondContact O-N 3.29Å; G130-Q133 VanDerWaalsContact O-N 3.1Å; G130-E134 PolarHBondContact O-N 2.82Å
131F98.2Very high96.4Very high0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-64.7-38.4-170.7-173.3-121.7000113.6V89 D90 I96 I99 N126 Q133 E134 C135 Y144 I147 F151V89-F131 HydrophobicContact CB-CB 3.96Å; V89-F131 HydrophobicContact CB-CD1 4.13Å; V89-F131 HydrophobicContact CB-CD2 3.63Å; V89-F131 HydrophobicContact CB-CE2 4.12Å; V89-F131 HydrophobicContact CB-CG 3.63Å; V89-F131 HydrophobicContact CG1-CD1 4.14Å; V89-F131 HydrophobicContact CG1-CD2 3.64Å; V89-F131 HydrophobicContact CG1-CE1 4.08Å; V89-F131 HydrophobicContact CG1-CE2 3.57Å; V89-F131 HydrophobicContact CG1-CG 3.93Å; V89-F131 HydrophobicContact CG1-CZ 3.8Å; V89-F131 HydrophobicContact CG2-CB 4.05Å; V89-F131 HydrophobicContact CG2-CD1 4.05Å; V89-F131 HydrophobicContact CG2-CD2 4.41Å; V89-F131 HydrophobicContact CG2-CG 3.92Å; D90-F131 WeakPolarHBondContact OD1-CB 3.31Å; D90-F131 PolarHBondContact OD1-N 3.02Å; I96-F131 HydrophobicContact CG1-CE2 3.86Å; I99-F131 HydrophobicContact CG2-CE2 4.41Å; I99-F131 HydrophobicContact CG2-CZ 4.06Å; N126-F131 HydrophobicContact CB-CB 3.97Å; N126-F131 HydrophobicContact CB-CD1 4.38Å; N126-F131 PolarHBondContact O-N 3.22Å; F131-Q133 VanDerWaalsContact C-N 3.31Å; F131-Q133 PolarHBondContact O-N 3.19Å; F131-E134 WeakPolarHBondContact O-CB 3.29Å; F131-E134 PolarHBondContact O-N 3.14Å; F131-C135 PolarHBondContact O-N 2.98Å; F131-C135 PolarHBondContact O-SG 3.38Å; F131-Y144 HydrophobicContact CD1-CD2 4.17Å; F131-Y144 HydrophobicContact CD1-CE2 4.12Å; F131-Y144 HydrophobicContact CE1-CD2 4.32Å; F131-I147 HydrophobicContact CE1-CB 4.47Å; F131-I147 HydrophobicContact CE1-CD1 4.4Å; F131-I147 HydrophobicContact CE1-CG2 3.86Å; F131-I147 HydrophobicContact CZ-CD1 3.85Å; F131-I147 HydrophobicContact CZ-CG2 4Å; F131-F151 HydrophobicContact CD1-CE2 4.34Å; F131-F151 AromaticContact CE1-CE2 3.91Å; F131-F151 HydrophobicContact CE1-CE2 3.91Å; F131-F151 HydrophobicContact CE1-CZ 4.26Å
132Y98.1Very high96.5Very high56 Ų5655.8 Ų55.822%0.2229%0.292CS..Hα-helixtrans-58.7-44.5174.1170.8-112.3000112.3N126 R127 G130 C135 E136 S141 Y144N126-Y132 PolarHBondContact O-N 3.15Å; R127-Y132 HydrophobicContact CG-CD1 4.23Å; R127-Y132 HydrophobicContact CG-CG 4.3Å; G130-Y132 PolarHBondContact O-N 2.94Å; Y132-C135 PolarHBondContact O-N 3.1Å; Y132-E136 HydrophobicContact CE1-CG 4.32Å; Y132-E136 HydrophobicContact CE2-CG 4.03Å; Y132-E136 PolarHBondContact O-N 2.92Å; Y132-S141 PolarHBondContact OH-OG 2.92Å; Y132-S141 VanDerWaalsContact OH-OG 3.12Å; Y132-Y144 AromaticContact CD2-CD1 3.46Å; Y132-Y144 HydrophobicContact CD2-CD1 3.46Å; Y132-Y144 VanDerWaalsContact CD2-CD1 3.46Å; Y132-Y144 HydrophobicContact CD2-CD2 4.07Å; Y132-Y144 AromaticContact CD2-CE1 3.57Å; Y132-Y144 HydrophobicContact CD2-CE1 3.57Å; Y132-Y144 HydrophobicContact CD2-CE2 4.19Å; Y132-Y144 AromaticContact CD2-CG 3.71Å; Y132-Y144 HydrophobicContact CD2-CG 3.71Å; Y132-Y144 AromaticContact CD2-CZ 3.94Å; Y132-Y144 AromaticContact CE2-CD1 3.95Å; Y132-Y144 HydrophobicContact CE2-CD1 3.95Å; Y132-Y144 HydrophobicContact CE2-CE1 4.24Å; Y132-Y144 HydrophobicContact CE2-CG 4.41Å; Y132-Y144 HydrophobicContact CG-CE1 4.38Å
133Q98.1Very high96.6Very high114 Ų11454.7 Ų54.753%0.53328%0.284SS..Hα-helixtrans-64.4-43.5178.3-179.6177.4-2.100110.7G130 F131 C135 E136 E137G130-Q133 WeakPolarHBondContact O-CB 3.36Å; G130-Q133 PolarHBondContact O-N 3.29Å; G130-Q133 VanDerWaalsContact O-N 3.1Å; F131-Q133 VanDerWaalsContact C-N 3.31Å; F131-Q133 PolarHBondContact O-N 3.19Å; Q133-C135 VanDerWaalsContact C-N 3.32Å; Q133-C135 PolarHBondContact O-N 2.97Å; Q133-E136 PolarHBondContact O-N 2.85Å; Q133-E137 HydrophobicContact CG-CG 4.28Å; Q133-E137 VanDerWaalsContact CG-OE1 3.25Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.28Å; Q133-E137 PolarHBondContact NE2-OE1 3.03Å; Q133-E137 WeakPolarHBondContact O-CB 3.46Å; Q133-E137 WeakPolarHBondContact O-CG 3.44Å; Q133-E137 PolarHBondContact O-N 2.8Å
134E97.9Very high96.9Very high17 Ų1752.6 Ų52.68%0.07928%0.275CS..Hα-helixtrans-55.8-45.8175.6-166.4-170.7160.700111.7G95 I96 G130 F131 R138G95-E134 WeakPolarHBondContact CA-OE2 3.38Å; G95-E134 PolarHBondContact N-OE1 3.45Å; G95-E134 PolarHBondContact N-OE2 3Å; I96-E134 HydrophobicContact CD1-CB 4.47Å; I96-E134 HydrophobicContact CD1-CG 3.8Å; I96-E134 HydrophobicContact CG1-CG 4.04Å; I96-E134 WeakPolarHBondContact CG1-OE1 3.41Å; I96-E134 PolarHBondContact N-OE1 2.92Å; G130-E134 PolarHBondContact O-N 2.82Å; F131-E134 WeakPolarHBondContact O-CB 3.29Å; F131-E134 PolarHBondContact O-N 3.14Å; E134-R138 WeakPolarHBondContact O-CB 3.48Å; E134-R138 PolarHBondContact O-N 3.09Å; E134-R138 IonicContact OE1-NH1 3.69Å
135C98.3Very high97.2Very high1 Ų154.5 Ų54.51%0.00728%0.276CS..Hα-helixtrans-68.5-38.9176.7-69.70000113.6F131 Y132 Q133 E137 Y139 S140 Y144F131-C135 PolarHBondContact O-N 2.98Å; F131-C135 PolarHBondContact O-SG 3.38Å; Y132-C135 PolarHBondContact O-N 3.1Å; Q133-C135 VanDerWaalsContact C-N 3.32Å; Q133-C135 PolarHBondContact O-N 2.97Å; C135-E137 VanDerWaalsContact C-N 3.35Å; C135-Y139 CarbonylContact O-C 3.44Å; C135-Y139 VanDerWaalsContact O-C 3.3Å; C135-Y139 WeakPolarHBondContact O-CA 3.41Å; C135-Y139 PolarHBondContact O-N 3.26Å; C135-S140 PolarHBondContact O-N 3.2Å; C135-Y144 HydrophobicContact CB-CD2 4.37Å; C135-Y144 HydrophobicContact CB-CG 4.45Å
136E97.8Very high97.4Very high95 Ų9555.7 Ų55.744%0.44428%0.28SS..Hα-helixtrans-62.2-42.3175.8-112.5-79.2113.800111.9Y132 Q133 S141Y132-E136 HydrophobicContact CE1-CG 4.32Å; Y132-E136 HydrophobicContact CE2-CG 4.03Å; Y132-E136 PolarHBondContact O-N 2.92Å; Q133-E136 PolarHBondContact O-N 2.85Å; E136-S141 WeakPolarHBondContact CG-OG 3.5Å; E136-S141 PolarHBondContact OE1-N 2.61Å; E136-S141 PolarHBondContact OE1-OG 3.11Å
137E97.4Very high97.5Very high137 Ų13755.7 Ų55.764%0.6428%0.28SS*.Hα-helixtrans-73.6-33.1-175.8-73174.617900112.8Q133 C135Q133-E137 HydrophobicContact CG-CG 4.28Å; Q133-E137 VanDerWaalsContact CG-OE1 3.25Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.28Å; Q133-E137 PolarHBondContact NE2-OE1 3.03Å; Q133-E137 WeakPolarHBondContact O-CB 3.46Å; Q133-E137 WeakPolarHBondContact O-CG 3.44Å; Q133-E137 PolarHBondContact O-N 2.8Å; C135-E137 VanDerWaalsContact C-N 3.35Å
138R97.4Very high97.6Very high69 Ų6950.5 Ų50.526%0.2626%0.261SS..Hα-helixtrans-106.8-23.4-172.2-63.8177.463.4-167.14.8114.7E24 I96 E97 E134E24-R138 IonicContact OE1-CZ 2.72Å; E24-R138 VanDerWaalsContact OE1-CZ 3.25Å; E24-R138 IonicContact OE1-NE 3.8Å; E24-R138 PolarHBondContact OE1-NE 3.48Å; E24-R138 IonicContact OE1-NH2 2.71Å; E24-R138 PolarHBondContact OE1-NH2 2.94Å; I96-R138 HydrophobicContact CD1-CB 4.18Å; E97-R138 IonicContact OE1-CZ 2.71Å; E97-R138 IonicContact OE1-NH1 3.86Å; E97-R138 PolarHBondContact OE1-NH1 2.98Å; E97-R138 IonicContact OE1-NH2 2.72Å; E97-R138 PolarHBondContact OE1-NH2 3.06Å; E97-R138 IonicContact OE2-CZ 2.7Å; E97-R138 IonicContact OE2-NH1 3.29Å; E97-R138 PolarHBondContact OE2-NH1 3.31Å; E134-R138 WeakPolarHBondContact O-CB 3.48Å; E134-R138 PolarHBondContact O-N 3.09Å; E134-R138 IonicContact OE1-NH1 3.69Å
139Y97.7Very high97.7Very high34 Ų3448 Ų4813%0.13324%0.242CC..SBendtrans-133.7-104.5179.2-66.6-95.7000109.5L25 E27 L30 I96 C135 A143L25-Y139 PolarHBondContact N-OH 3.37Å; L25-Y139 WeakPolarHBondContact O-CE1 3.2Å; L25-Y139 PolarHBondContact O-OH 2.91Å; E27-Y139 HydrophobicContact CB-CD1 3.96Å; E27-Y139 HydrophobicContact CG-CD1 4.25Å; L30-Y139 HydrophobicContact CB-CE1 4.32Å; L30-Y139 HydrophobicContact CD2-CD1 3.8Å; L30-Y139 HydrophobicContact CD2-CD2 4.4Å; L30-Y139 HydrophobicContact CD2-CE1 3.8Å; L30-Y139 HydrophobicContact CD2-CE2 4.46Å; L30-Y139 HydrophobicContact CD2-CG 4.09Å; I96-Y139 HydrophobicContact CD1-CD2 3.76Å; I96-Y139 HydrophobicContact CD1-CE2 3.84Å; I96-Y139 HydrophobicContact CG2-CE2 3.78Å; C135-Y139 CarbonylContact O-C 3.44Å; C135-Y139 VanDerWaalsContact O-C 3.3Å; C135-Y139 WeakPolarHBondContact O-CA 3.41Å; C135-Y139 PolarHBondContact O-N 3.26Å; Y139-A143 HydrophobicContact CG-CB 4.45Å
140S98.1Very high97.8Very high25 Ų2542.8 Ų42.818%0.17522%0.221CC..  trans-158.6159.6-17977.40000110.9E27 C135 A142 A143 Y144E27-S140 VanDerWaalsContact CD-OG 3.32Å; E27-S140 PolarHBondContact OE1-OG 3.1Å; E27-S140 PolarHBondContact OE2-OG 3.45Å; C135-S140 PolarHBondContact O-N 3.2Å; S140-A142 PolarHBondContact O-N 3.23Å; S140-A142 VanDerWaalsContact O-N 3.16Å; S140-A142 WeakPolarHBondContact OG-CB 3.33Å; S140-A142 PolarHBondContact OG-N 3.14Å; S140-A142 VanDerWaalsContact OG-N 3.13Å; S140-A143 PolarHBondContact O-N 3.21Å; S140-A143 VanDerWaalsContact O-N 3.17Å; S140-A143 PolarHBondContact OG-N 3.21Å; S140-Y144 PolarHBondContact O-N 3.4Å; S140-Y144 VanDerWaalsContact O-N 3.09Å
141S97.9Very high97.9Very high39 Ų3941.5 Ų41.527%0.27321%0.208SC..Hα-helixtrans-55.4-26.6165.9-72.40000113Y132 E136 L145Y132-S141 PolarHBondContact OH-OG 2.92Å; Y132-S141 VanDerWaalsContact OH-OG 3.12Å; E136-S141 WeakPolarHBondContact CG-OG 3.5Å; E136-S141 PolarHBondContact OE1-N 2.61Å; E136-S141 PolarHBondContact OE1-OG 3.11Å; S141-L145 VanDerWaalsContact O-CG 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.11Å; S141-L145 PolarHBondContact O-N 2.87Å
142A98.2Very high97.8Very high62 Ų6242.2 Ų42.251%0.51221%0.214SC..Hα-helixtrans-74.3-41.8176.600000112.1S140 L145 K146S140-A142 PolarHBondContact O-N 3.23Å; S140-A142 VanDerWaalsContact O-N 3.16Å; S140-A142 WeakPolarHBondContact OG-CB 3.33Å; S140-A142 PolarHBondContact OG-N 3.14Å; S140-A142 VanDerWaalsContact OG-N 3.13Å; A142-L145 PolarHBondContact O-N 3.43Å; A142-K146 PolarHBondContact O-N 3.12Å
143A98Very high97.8Very high1 Ų141.8 Ų41.81%0.00821%0.212CC..Hα-helixtrans-60.4-44.4173.700000111.5E27 L30 Y139 S140 L145 K146 I147E27-A143 HydrophobicContact CG-CB 4.07Å; L30-A143 HydrophobicContact CD2-CB 4.07Å; Y139-A143 HydrophobicContact CG-CB 4.45Å; S140-A143 PolarHBondContact O-N 3.21Å; S140-A143 VanDerWaalsContact O-N 3.17Å; S140-A143 PolarHBondContact OG-N 3.21Å; A143-L145 PolarHBondContact O-N 3.03Å; A143-K146 WeakPolarHBondContact O-CB 3.49Å; A143-K146 PolarHBondContact O-N 3.22Å; A143-K146 VanDerWaalsContact O-N 3.13Å; A143-I147 PolarHBondContact O-N 2.93Å
144Y98.3Very high97.8Very high2 Ų236.4 Ų36.41%0.00819%0.187CC..Hα-helixtrans-53.4-55.2171.8167.1-107000111.5H123 N126 F131 Y132 C135 S140 K146 I147 Q148H123-Y144 AromaticContact CD2-CE1 3.57Å; H123-Y144 AromaticContact CD2-CZ 3.78Å; H123-Y144 PolarHBondContact CD2-OH 3.39Å; H123-Y144 AromaticContact NE2-CE1 3.97Å; N126-Y144 PolarHBondContact OD1-OH 3.11Å; F131-Y144 HydrophobicContact CD1-CD2 4.17Å; F131-Y144 HydrophobicContact CD1-CE2 4.12Å; F131-Y144 HydrophobicContact CE1-CD2 4.32Å; Y132-Y144 AromaticContact CD2-CD1 3.46Å; Y132-Y144 HydrophobicContact CD2-CD1 3.46Å; Y132-Y144 VanDerWaalsContact CD2-CD1 3.46Å; Y132-Y144 HydrophobicContact CD2-CD2 4.07Å; Y132-Y144 AromaticContact CD2-CE1 3.57Å; Y132-Y144 HydrophobicContact CD2-CE1 3.57Å; Y132-Y144 HydrophobicContact CD2-CE2 4.19Å; Y132-Y144 AromaticContact CD2-CG 3.71Å; Y132-Y144 HydrophobicContact CD2-CG 3.71Å; Y132-Y144 AromaticContact CD2-CZ 3.94Å; Y132-Y144 AromaticContact CE2-CD1 3.95Å; Y132-Y144 HydrophobicContact CE2-CD1 3.95Å; Y132-Y144 HydrophobicContact CE2-CE1 4.24Å; Y132-Y144 HydrophobicContact CE2-CG 4.41Å; Y132-Y144 HydrophobicContact CG-CE1 4.38Å; C135-Y144 HydrophobicContact CB-CD2 4.37Å; C135-Y144 HydrophobicContact CB-CG 4.45Å; S140-Y144 PolarHBondContact O-N 3.4Å; S140-Y144 VanDerWaalsContact O-N 3.09Å; Y144-K146 PolarHBondContact O-N 2.82Å; Y144-K146 VanDerWaalsContact O-N 3.16Å; Y144-I147 PolarHBondContact O-N 2.96Å; Y144-Q148 HydrophobicContact CD1-CG 4.25Å; Y144-Q148 HydrophobicContact CD2-CG 4.16Å; Y144-Q148 HydrophobicContact CE1-CG 3.9Å; Y144-Q148 HydrophobicContact CE2-CG 3.77Å; Y144-Q148 HydrophobicContact CG-CG 4.38Å; Y144-Q148 WeakPolarHBondContact O-CG 3.22Å; Y144-Q148 PolarHBondContact O-N 2.88Å
145L97.6Very high97.8Very high102 Ų10235.6 Ų35.653%0.53418%0.183SC..Hα-helixtrans-58.7-31.6-179.9-71.5174.9000112.4S141 A142 A143 Q148 E149S141-L145 VanDerWaalsContact O-CG 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.11Å; S141-L145 PolarHBondContact O-N 2.87Å; A142-L145 PolarHBondContact O-N 3.43Å; A143-L145 PolarHBondContact O-N 3.03Å; L145-Q148 PolarHBondContact O-N 2.84Å; L145-E149 PolarHBondContact O-N 2.67Å; L145-E149 VanDerWaalsContact O-N 3.12Å
146K98.1Very high97.8Very high34 Ų3435.5 Ų35.515%0.14818%0.183CC..Hα-helixtrans-66.8-45.6175.5-167.361.8-176.81710112V31 V34 E35 A142 A143 Y144 Q148 E149 A150V31-K146 HydrophobicContact CG1-CG 4.41Å; V31-K146 HydrophobicContact CG2-CG 4.38Å; V34-K146 HydrophobicContact CB-CG 3.98Å; V34-K146 HydrophobicContact CG1-CD 4.49Å; V34-K146 HydrophobicContact CG1-CG 3.87Å; V34-K146 WeakPolarHBondContact CG1-O 3.46Å; V34-K146 HydrophobicContact CG2-CG 4.46Å; E35-K146 VanDerWaalsContact CD-NZ 3.3Å; E35-K146 WeakPolarHBondContact OE1-CE 3.2Å; E35-K146 IonicContact OE1-NZ 2.8Å; E35-K146 PolarHBondContact OE1-NZ 2.83Å; E35-K146 IonicContact OE2-NZ 3.84Å; A142-K146 PolarHBondContact O-N 3.12Å; A143-K146 WeakPolarHBondContact O-CB 3.49Å; A143-K146 PolarHBondContact O-N 3.22Å; A143-K146 VanDerWaalsContact O-N 3.13Å; Y144-K146 PolarHBondContact O-N 2.82Å; Y144-K146 VanDerWaalsContact O-N 3.16Å; K146-Q148 VanDerWaalsContact C-N 3.28Å; K146-Q148 PolarHBondContact O-N 3.48Å; K146-E149 IonicContact NZ-OE2 2.59Å; K146-E149 PolarHBondContact NZ-OE2 3.24Å; K146-E149 VanDerWaalsContact O-CB 3.24Å; K146-E149 WeakPolarHBondContact O-CB 3.09Å; K146-E149 PolarHBondContact O-N 3.19Å; K146-E149 VanDerWaalsContact O-N 3.11Å; K146-A150 PolarHBondContact O-N 2.82Å
147I98.4Very high97.9Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-60.7-40173.9-63.3170.9000110.7L30 V34 I99 F103 F131 A143 Y144 E149 A150 F151L30-I147 HydrophobicContact CD1-CD1 4.32Å; L30-I147 HydrophobicContact CD2-CD1 4.31Å; V34-I147 HydrophobicContact CG2-CG1 4.11Å; I99-I147 HydrophobicContact CG2-CD1 4.4Å; I99-I147 HydrophobicContact CG2-CG2 4.47Å; F103-I147 HydrophobicContact CE2-CG2 4.25Å; F103-I147 HydrophobicContact CZ-CG2 4.47Å; F131-I147 HydrophobicContact CE1-CB 4.47Å; F131-I147 HydrophobicContact CE1-CD1 4.4Å; F131-I147 HydrophobicContact CE1-CG2 3.86Å; F131-I147 HydrophobicContact CZ-CD1 3.85Å; F131-I147 HydrophobicContact CZ-CG2 4Å; A143-I147 PolarHBondContact O-N 2.93Å; Y144-I147 PolarHBondContact O-N 2.96Å; I147-E149 PolarHBondContact O-N 2.86Å; I147-A150 WeakPolarHBondContact O-CB 3.48Å; I147-A150 PolarHBondContact O-N 3.28Å; I147-F151 HydrophobicContact CG2-CD1 4.32Å; I147-F151 HydrophobicContact CG2-CD2 4.27Å; I147-F151 HydrophobicContact CG2-CE1 3.85Å; I147-F151 HydrophobicContact CG2-CE2 3.78Å; I147-F151 HydrophobicContact CG2-CZ 3.55Å; I147-F151 PolarHBondContact O-N 3.38Å
148Q97.5Very high97.9Very high19 Ų1924.5 Ų24.59%0.08913%0.131CC..Hα-helixtrans-61.2-31.5176.2-61.2-55.797.500112.8N126 Y144 L145 K146 F151 A152N126-Q148 PolarHBondContact ND2-NE2 3.32Å; N126-Q148 PolarHBondContact ND2-OE1 2.97Å; N126-Q148 PolarHBondContact OD1-NE2 3.05Å; Y144-Q148 HydrophobicContact CD1-CG 4.25Å; Y144-Q148 HydrophobicContact CD2-CG 4.16Å; Y144-Q148 HydrophobicContact CE1-CG 3.9Å; Y144-Q148 HydrophobicContact CE2-CG 3.77Å; Y144-Q148 HydrophobicContact CG-CG 4.38Å; Y144-Q148 WeakPolarHBondContact O-CG 3.22Å; Y144-Q148 PolarHBondContact O-N 2.88Å; L145-Q148 PolarHBondContact O-N 2.84Å; K146-Q148 VanDerWaalsContact C-N 3.28Å; K146-Q148 PolarHBondContact O-N 3.48Å; Q148-F151 PolarHBondContact O-N 3.22Å; Q148-A152 PolarHBondContact O-N 3.28Å
149E97.1Very high98Very high64 Ų6421.8 Ų21.830%0.29912%0.122SC..Hα-helixtrans-60.8-46.2172.5-165.5-168.7157.400110.7L38 R42 L145 K146 I147 A152 Y153L38-E149 HydrophobicContact CD1-CB 4.33Å; L38-E149 HydrophobicContact CD1-CG 4.08Å; L38-E149 HydrophobicContact CD2-CG 4.13Å; R42-E149 IonicContact CZ-OE1 3.97Å; R42-E149 IonicContact NH2-OE1 2.79Å; R42-E149 PolarHBondContact NH2-OE1 2.78Å; L145-E149 PolarHBondContact O-N 2.67Å; L145-E149 VanDerWaalsContact O-N 3.12Å; K146-E149 IonicContact NZ-OE2 2.59Å; K146-E149 PolarHBondContact NZ-OE2 3.24Å; K146-E149 VanDerWaalsContact O-CB 3.24Å; K146-E149 WeakPolarHBondContact O-CB 3.09Å; K146-E149 PolarHBondContact O-N 3.19Å; K146-E149 VanDerWaalsContact O-N 3.11Å; I147-E149 PolarHBondContact O-N 2.86Å; E149-A152 WeakPolarHBondContact O-CB 3.5Å; E149-A152 PolarHBondContact O-N 3.25Å; E149-Y153 WeakPolarHBondContact O-CD2 3.42Å; E149-Y153 PolarHBondContact O-N 2.9Å
150A98.3Very high98.1Very high0 Ų020.2 Ų20.20%012%0.116CC..Hα-helixtrans-63.4-43.1175.700000112.2V34 V37 L38 L41 F103 K146 I147 A152 Y153 L154V34-A150 HydrophobicContact CG1-CB 3.83Å; V37-A150 HydrophobicContact CG1-CB 4.2Å; L38-A150 HydrophobicContact CD2-CB 4.2Å; L38-A150 HydrophobicContact CG-CB 4.16Å; L41-A150 HydrophobicContact CD1-CB 4.28Å; F103-A150 HydrophobicContact CE1-CB 4.39Å; F103-A150 HydrophobicContact CE2-CB 3.94Å; F103-A150 HydrophobicContact CZ-CB 3.6Å; K146-A150 PolarHBondContact O-N 2.82Å; I147-A150 WeakPolarHBondContact O-CB 3.48Å; I147-A150 PolarHBondContact O-N 3.28Å; A150-A152 VanDerWaalsContact C-N 3.25Å; A150-A152 PolarHBondContact O-N 3.47Å; A150-Y153 CarbonylContact O-C 3.44Å; A150-Y153 WeakPolarHBondContact O-CA 3.15Å; A150-Y153 PolarHBondContact O-N 3.42Å; A150-L154 PolarHBondContact O-N 3.04Å
151F97.9Very high98.1Very high1 Ų121.1 Ų21.10%0.00412%0.122CC..Hα-helixtrans-57.9-37.4174.9-71.4-8.8000113.3V89 I99 F103 R117 E121 N126 F131 I147 Q148 Y153 L154V89-F151 HydrophobicContact CG1-CE2 4.41Å; V89-F151 HydrophobicContact CG1-CZ 3.94Å; V89-F151 HydrophobicContact CG2-CE2 4.25Å; V89-F151 HydrophobicContact CG2-CZ 4.47Å; I99-F151 HydrophobicContact CD1-CE1 3.47Å; I99-F151 VanDerWaalsContact CD1-CE1 3.47Å; I99-F151 HydrophobicContact CD1-CZ 3.96Å; I99-F151 HydrophobicContact CG1-CE1 3.61Å; I99-F151 HydrophobicContact CG1-CZ 3.84Å; F103-F151 HydrophobicContact CE1-CE1 4.41Å; F103-F151 HydrophobicContact CZ-CD1 4.1Å; F103-F151 AromaticContact CZ-CE1 3.86Å; F103-F151 HydrophobicContact CZ-CE1 3.86Å; R117-F151 PolarHBondContact NH1-O 3.25Å; E121-F151 HydrophobicContact CB-CB 4.04Å; E121-F151 HydrophobicContact CB-CD1 4.06Å; E121-F151 HydrophobicContact CB-CD2 3.92Å; E121-F151 HydrophobicContact CB-CE1 4.48Å; E121-F151 HydrophobicContact CB-CE2 4.38Å; E121-F151 HydrophobicContact CB-CG 3.75Å; E121-F151 HydrophobicContact CG-CD1 3.81Å; E121-F151 HydrophobicContact CG-CD2 4.09Å; E121-F151 HydrophobicContact CG-CE1 3.78Å; E121-F151 HydrophobicContact CG-CE2 4.09Å; E121-F151 HydrophobicContact CG-CG 3.97Å; E121-F151 HydrophobicContact CG-CZ 3.93Å; N126-F151 WeakPolarHBondContact ND2-CE2 3.22Å; F131-F151 HydrophobicContact CD1-CE2 4.34Å; F131-F151 AromaticContact CE1-CE2 3.91Å; F131-F151 HydrophobicContact CE1-CE2 3.91Å; F131-F151 HydrophobicContact CE1-CZ 4.26Å; I147-F151 HydrophobicContact CG2-CD1 4.32Å; I147-F151 HydrophobicContact CG2-CD2 4.27Å; I147-F151 HydrophobicContact CG2-CE1 3.85Å; I147-F151 HydrophobicContact CG2-CE2 3.78Å; I147-F151 HydrophobicContact CG2-CZ 3.55Å; I147-F151 PolarHBondContact O-N 3.38Å; Q148-F151 PolarHBondContact O-N 3.22Å; F151-Y153 PolarHBondContact O-N 2.72Å; F151-L154 HydrophobicContact CB-CD1 4.45Å; F151-L154 HydrophobicContact CD1-CD1 3.73Å; F151-L154 HydrophobicContact CE1-CD1 4.41Å; F151-L154 HydrophobicContact CG-CD1 4.4Å; F151-L154 PolarHBondContact O-N 3.44Å; F151-L154 VanDerWaalsContact O-N 3.1Å
152A96.5Very high98.1Very high15 Ų1521.1 Ų21.112%0.12413%0.128CC..Hα-helixtrans-62.9-27177.400000112.4R117 Q148 E149 A150 P187 L188R117-A152 PolarHBondContact NH1-O 3.15Å; Q148-A152 PolarHBondContact O-N 3.28Å; E149-A152 WeakPolarHBondContact O-CB 3.5Å; E149-A152 PolarHBondContact O-N 3.25Å; A150-A152 VanDerWaalsContact C-N 3.25Å; A150-A152 PolarHBondContact O-N 3.47Å; A152-P187 HydrophobicContact CB-CB 3.62Å; A152-P187 CarbonylContact O-C 3.14Å; A152-P187 WeakPolarHBondContact O-CA 3.17Å; A152-L188 PolarHBondContact O-N 3.45Å
153Y97.8Very high98.1Very high47 Ų4721.6 Ų21.618%0.18412%0.117CC..THydrogen-bonded Turntrans-9813.5175.4-75.7-76.7000114.1L38 R42 E149 A150 F151 R186 P187L38-Y153 HydrophobicContact CD2-CD2 3.51Å; L38-Y153 HydrophobicContact CD2-CE2 4.15Å; L38-Y153 HydrophobicContact CD2-CG 4.28Å; R42-Y153 HydrophobicContact CG-CD1 3.87Å; R42-Y153 HydrophobicContact CG-CD2 4.31Å; R42-Y153 HydrophobicContact CG-CE1 3.69Å; R42-Y153 HydrophobicContact CG-CE2 4.14Å; R42-Y153 HydrophobicContact CG-CG 4.18Å; E149-Y153 WeakPolarHBondContact O-CD2 3.42Å; E149-Y153 PolarHBondContact O-N 2.9Å; A150-Y153 CarbonylContact O-C 3.44Å; A150-Y153 WeakPolarHBondContact O-CA 3.15Å; A150-Y153 PolarHBondContact O-N 3.42Å; F151-Y153 PolarHBondContact O-N 2.72Å; Y153-R186 HydrophobicContact CD1-CB 4.13Å; Y153-R186 PolarHBondContact O-NH1 3.13Å; Y153-P187 HydrophobicContact CD1-CB 4.24Å; Y153-P187 HydrophobicContact CD2-CB 4.02Å; Y153-P187 HydrophobicContact CE1-CB 4.04Å; Y153-P187 HydrophobicContact CE1-CG 4.12Å; Y153-P187 HydrophobicContact CE2-CB 3.82Å; Y153-P187 HydrophobicContact CE2-CG 4.02Å; Y153-P187 HydrophobicContact CG-CB 4.23Å
154L98.3Very high98.2Very high0 Ų021.7 Ų21.70%012%0.117CC..  trans-71.8138.7173.2-74172.4000111.2L41 Y88 I115 R117 E121 A150 F151 R186L41-L154 HydrophobicContact CD1-CD2 4.07Å; L41-L154 HydrophobicContact CD2-CD2 4.11Å; Y88-L154 HydrophobicContact CE2-CD1 4.38Å; I115-L154 HydrophobicContact CB-CD2 4.5Å; I115-L154 HydrophobicContact CD1-CD2 3.66Å; I115-L154 HydrophobicContact CG1-CD2 3.73Å; R117-L154 HydrophobicContact CB-CB 3.64Å; R117-L154 HydrophobicContact CB-CD1 4.46Å; R117-L154 HydrophobicContact CG-CB 4.11Å; R117-L154 HydrophobicContact CG-CD1 4.49Å; E121-L154 HydrophobicContact CB-CD1 3.84Å; E121-L154 HydrophobicContact CG-CD1 3.7Å; A150-L154 PolarHBondContact O-N 3.04Å; F151-L154 HydrophobicContact CB-CD1 4.45Å; F151-L154 HydrophobicContact CD1-CD1 3.73Å; F151-L154 HydrophobicContact CE1-CD1 4.41Å; F151-L154 HydrophobicContact CG-CD1 4.4Å; F151-L154 PolarHBondContact O-N 3.44Å; F151-L154 VanDerWaalsContact O-N 3.1Å; L154-R186 VanDerWaalsContact C-NH1 3.29Å; L154-R186 WeakPolarHBondContact O-CD 3.33Å
155P98.4Very high98.2Very high0 Ų021.6 Ų21.60%012%0.117CC..  trans-59.3153.6170.5-23.534.1000111.7E44 L48 L116 R117 R186E44-P155 HydrophobicContact CB-CG 4.39Å; L48-P155 HydrophobicContact CD1-CB 4Å; L48-P155 HydrophobicContact CD1-CG 3.91Å; L48-P155 HydrophobicContact CD2-CB 3.98Å; L48-P155 HydrophobicContact CD2-CG 3.7Å; L48-P155 HydrophobicContact CG-CB 3.64Å; L48-P155 HydrophobicContact CG-CG 3.81Å; L116-P155 CarbonylContact C-O 3.51Å; L116-P155 WeakPolarHBondContact CA-O 3.48Å; L116-P155 HydrophobicContact CD2-CB 3.93Å; R117-P155 VanDerWaalsContact CB-O 3.31Å; R117-P155 WeakPolarHBondContact CB-O 3.48Å; R117-P155 PolarHBondContact N-O 3.39Å; P155-R186 VanDerWaalsContact CD-NH1 3.32Å
156I98Very high98.3Very high0 Ų016.8 Ų16.80%09%0.091CC..  trans-94.1-34.8-171.9-54.2-54.5000112S46 R117 I184 L188 V196 L199S46-I156 PolarHBondContact O-N 2.92Å; R117-I156 HydrophobicContact CB-CD1 4.19Å; I156-I184 HydrophobicContact CB-CD1 4.13Å; I156-I184 HydrophobicContact CG1-CD1 3.96Å; I156-I184 HydrophobicContact CG1-CG2 4.14Å; I156-I184 HydrophobicContact CG2-CD1 4.05Å; I156-L188 HydrophobicContact CD1-CD1 3.54Å; I156-V196 HydrophobicContact CD1-CG1 4.2Å; I156-V196 HydrophobicContact CG2-CG1 4.45Å; I156-L199 HydrophobicContact CG2-CB 4.27Å; I156-L199 HydrophobicContact CG2-CD1 3.94Å
157A98.7Very high98.3Very high0 Ų015.1 Ų15.10%08%0.084CC..EExtended strand (participates in β ladder)trans-147.3166.2-177.700000111.5S46 L47 L48 L116 F165 C166 L167 V181S46-A157 PolarHBondContact O-N 3.46Å; L47-A157 CarbonylContact C-O 3.48Å; L47-A157 WeakPolarHBondContact CA-O 3.05Å; L47-A157 HydrophobicContact CD1-CB 3.75Å; L48-A157 PolarHBondContact N-O 3.47Å; L116-A157 VanDerWaalsContact CD2-C 3.49Å; L116-A157 WeakPolarHBondContact CD2-O 3.41Å; A157-F165 HydrophobicContact CB-CD2 4.39Å; A157-F165 HydrophobicContact CB-CE2 3.47Å; A157-F165 VanDerWaalsContact CB-CE2 3.47Å; A157-F165 HydrophobicContact CB-CZ 3.96Å; A157-C166 CarbonylContact C-O 3.55Å; A157-C166 VanDerWaalsContact CA-O 3.23Å; A157-C166 WeakPolarHBondContact CA-O 3.4Å; A157-C166 VanDerWaalsContact CB-O 3.3Å; A157-C166 WeakPolarHBondContact CB-O 3.47Å; A157-L167 HydrophobicContact CB-CB 4.27Å; A157-V181 HydrophobicContact CB-CG1 3.87Å
158G98.8Very high98.3Very high0 Ų015.1 Ų15.10%08%0.084CC..EExtended strand (participates in β ladder)trans-122.5151.9169.700000111.5L48 F165 C166L48-G158 CarbonylContact O-C 3.56Å; L48-G158 VanDerWaalsContact O-CA 3.24Å; L48-G158 WeakPolarHBondContact O-CA 3.45Å; G158-F165 WeakPolarHBondContact O-CD2 3.34Å; G158-C166 PolarHBondContact N-O 3.4Å; G158-C166 PolarHBondContact O-N 3.45Å
159L98.8Very high98.3Very high13 Ų1314.2 Ų14.27%0.0688%0.08CC..EExtended strand (participates in β ladder)trans-127.3105.9171.3-179.958.7000108.4L47 L48 V50 S161 I164 M178 I236L47-L159 HydrophobicContact CD1-CB 4.11Å; L47-L159 HydrophobicContact CD2-CB 4.36Å; L47-L159 HydrophobicContact CG-CB 4.37Å; L48-L159 PolarHBondContact O-N 3.05Å; V50-L159 PolarHBondContact N-O 3.33Å; L159-S161 PolarHBondContact O-N 2.9Å; L159-I164 WeakPolarHBondContact CA-O 3.47Å; L159-M178 HydrophobicContact CB-CE 4.13Å; L159-M178 HydrophobicContact CD1-CE 3.99Å; L159-M178 HydrophobicContact CD2-CE 3.87Å; L159-M178 HydrophobicContact CG-CE 4.21Å; L159-I236 HydrophobicContact CD1-CG2 4.15Å
160I98.8Very high98.3Very high0 Ų011.3 Ų11.30%07%0.067CC..EExtended strand (participates in β ladder)trans-83.6118.1-177.7-54.1166.2000109.2V50 A52 V54 V56 L83 G162 R163 I164 C166 V280V50-I160 CarbonylContact O-C 3.48Å; V50-I160 WeakPolarHBondContact O-CA 3.46Å; A52-I160 HydrophobicContact CB-CG2 4.02Å; V54-I160 HydrophobicContact CG1-CD1 3.59Å; V54-I160 HydrophobicContact CG1-CG1 3.99Å; V54-I160 HydrophobicContact CG1-CG2 3.79Å; V56-I160 HydrophobicContact CG2-CD1 3.6Å; L83-I160 HydrophobicContact CD2-CD1 4.14Å; L83-I160 HydrophobicContact CD2-CG1 4.17Å; I160-G162 PolarHBondContact O-N 3.47Å; I160-R163 PolarHBondContact O-N 3.36Å; I160-I164 HydrophobicContact CB-CB 4.15Å; I160-I164 PolarHBondContact N-O 3.47Å; I160-I164 PolarHBondContact O-N 3.23Å; I160-I164 VanDerWaalsContact O-N 3.09Å; I160-C166 WeakPolarHBondContact CD1-SG 3.49Å; I160-V280 HydrophobicContact CD1-CG2 4.23Å; I160-V280 HydrophobicContact CG2-CG1 4.29Å
161S98.5Very high98.3Very high44 Ų4411.3 Ų11.331%0.3087%0.067SC..THydrogen-bonded Turntrans46.436179.7-65.60000113.6V50 A52 L159 R163V50-S161 PolarHBondContact O-N 2.97Å; A52-S161 PolarHBondContact N-OG 3.39Å; L159-S161 PolarHBondContact O-N 2.9Å; S161-R163 WeakPolarHBondContact O-CG 3.32Å; S161-R163 PolarHBondContact O-N 3.47Å; S161-R163 VanDerWaalsContact O-N 3.12Å
162G98.3Very high98.3Very high39 Ų3911.3 Ų11.340%0.4027%0.067SC..THydrogen-bonded Turntrans70.40-179.500000115.6I160I160-G162 PolarHBondContact O-N 3.47Å
163R98.6Very high98.3Very high72 Ų7212.8 Ų12.827%0.2728%0.075SC..THydrogen-bonded Turntrans-125.6-20.7-167.2-61.9-53.6-66.5177.9-0.8115.4I160 S161 D235 I236 D237 L284I160-R163 PolarHBondContact O-N 3.36Å; S161-R163 WeakPolarHBondContact O-CG 3.32Å; S161-R163 PolarHBondContact O-N 3.47Å; S161-R163 VanDerWaalsContact O-N 3.12Å; R163-D235 IonicContact CZ-OD1 3.41Å; R163-D235 PolarHBondContact NH1-O 2.94Å; R163-D235 IonicContact NH1-OD1 2.64Å; R163-D235 PolarHBondContact NH1-OD1 2.85Å; R163-D235 IonicContact NH1-OD2 3.47Å; R163-D235 PolarHBondContact NH1-OD2 2.9Å; R163-D235 IonicContact NH2-OD1 3.24Å; R163-I236 CarbonylContact O-C 3.39Å; R163-I236 WeakPolarHBondContact O-CA 3.39Å; R163-I236 WeakPolarHBondContact O-CB 3.49Å; R163-D237 IonicContact CZ-OD1 3.2Å; R163-D237 IonicContact CZ-OD2 3.14Å; R163-D237 IonicContact NE-OD1 3.38Å; R163-D237 IonicContact NE-OD2 3.51Å; R163-D237 PolarHBondContact NE-OD2 2.87Å; R163-D237 VanDerWaalsContact NH2-CG 3.29Å; R163-D237 IonicContact NH2-OD1 3.52Å; R163-D237 PolarHBondContact NH2-OD1 2.85Å; R163-D237 IonicContact NH2-OD2 3.03Å; R163-D237 PolarHBondContact NH2-OD2 3.41Å; R163-D237 PolarHBondContact O-N 3.21Å; R163-L284 HydrophobicContact CB-CD1 3.64Å; R163-L284 HydrophobicContact CG-CD1 3.75Å
164I98.8Very high98.2Very high4 Ų414.4 Ų14.42%0.0219%0.087CC..EExtended strand (participates in β ladder)trans-121.2114.3179.7-54.4168.8000109.8L159 I160 L238 I240 V280 L284L159-I164 WeakPolarHBondContact CA-O 3.47Å; I160-I164 HydrophobicContact CB-CB 4.15Å; I160-I164 PolarHBondContact N-O 3.47Å; I160-I164 PolarHBondContact O-N 3.23Å; I160-I164 VanDerWaalsContact O-N 3.09Å; I164-L238 WeakPolarHBondContact CA-O 3.45Å; I164-L238 HydrophobicContact CG1-CB 4.23Å; I164-L238 HydrophobicContact CG2-CB 4.15Å; I164-L238 HydrophobicContact CG2-CD2 4.16Å; I164-L238 HydrophobicContact CG2-CG 4.19Å; I164-I240 HydrophobicContact CG2-CD1 3.59Å; I164-I240 HydrophobicContact CG2-CG1 3.65Å; I164-V280 HydrophobicContact CD1-CG1 3.64Å; I164-V280 HydrophobicContact CD1-CG2 4.21Å; I164-L284 HydrophobicContact CD1-CB 4.35Å; I164-L284 HydrophobicContact CD1-CD2 4.26Å
165F98.8Very high98.1Very high0 Ų014.4 Ų14.40%09%0.087CC..EExtended strand (participates in β ladder)trans-87.5126.7179.7-176.9-134.1000110.7L47 A157 G158 L167 L171 L175 M178 V181 I236 L238 I239 I240L47-F165 HydrophobicContact CD1-CD2 4.47Å; L47-F165 HydrophobicContact CD1-CE2 4.08Å; A157-F165 HydrophobicContact CB-CD2 4.39Å; A157-F165 HydrophobicContact CB-CE2 3.47Å; A157-F165 VanDerWaalsContact CB-CE2 3.47Å; A157-F165 HydrophobicContact CB-CZ 3.96Å; G158-F165 WeakPolarHBondContact O-CD2 3.34Å; F165-L167 HydrophobicContact CD1-CD2 4.06Å; F165-L167 HydrophobicContact CE1-CD1 3.78Å; F165-L167 HydrophobicContact CE1-CD2 4Å; F165-L167 HydrophobicContact CE1-CG 4.43Å; F165-L167 HydrophobicContact CZ-CD1 4.09Å; F165-L171 HydrophobicContact CE1-CD2 4.46Å; F165-L175 HydrophobicContact CE1-CD2 4.08Å; F165-L175 HydrophobicContact CZ-CD2 4.43Å; F165-M178 HydrophobicContact CD2-CE 3.38Å; F165-M178 HydrophobicContact CD2-SD 4.03Å; F165-M178 HydrophobicContact CE2-CE 3.63Å; F165-M178 HydrophobicContact CE2-SD 3.98Å; F165-M178 HydrophobicContact CG-CE 4.17Å; F165-M178 HydrophobicContact CG-SD 4.47Å; F165-M178 HydrophobicContact CZ-SD 4.42Å; F165-V181 HydrophobicContact CZ-CG2 4.43Å; F165-I236 HydrophobicContact CB-CD1 3.49Å; F165-I236 VanDerWaalsContact CB-CD1 3.49Å; F165-I236 HydrophobicContact CD1-CD1 4.47Å; F165-I236 HydrophobicContact CG-CD1 4.36Å; F165-L238 PolarHBondContact N-O 3.28Å; F165-I239 HydrophobicContact CB-CG1 4.38Å; F165-I239 HydrophobicContact CD1-CG1 4.41Å; F165-I239 CarbonylContact O-C 3.55Å; F165-I239 VanDerWaalsContact O-CA 3.26Å; F165-I239 WeakPolarHBondContact O-CA 3.32Å; F165-I240 PolarHBondContact O-N 3.43Å
166C98.9Very high98Very high0 Ų017.8 Ų17.80%011%0.108CC..EExtended strand (participates in β ladder)trans-121.6132.8-173.9-640000110.4L83 L85 A157 G158 I160 I240L83-C166 HydrophobicContact CD2-CB 3.69Å; L85-C166 HydrophobicContact CD2-CB 3.79Å; A157-C166 CarbonylContact C-O 3.55Å; A157-C166 VanDerWaalsContact CA-O 3.23Å; A157-C166 WeakPolarHBondContact CA-O 3.4Å; A157-C166 VanDerWaalsContact CB-O 3.3Å; A157-C166 WeakPolarHBondContact CB-O 3.47Å; G158-C166 PolarHBondContact N-O 3.4Å; G158-C166 PolarHBondContact O-N 3.45Å; I160-C166 WeakPolarHBondContact CD1-SG 3.49Å; C166-I240 VanDerWaalsContact CA-O 3.29Å; C166-I240 WeakPolarHBondContact CA-O 3.47Å
167L98.8Very high97.9Very high0 Ų021.5 Ų21.50%013%0.128CC..EExtended strand (participates in β ladder)trans-161165.2179.767.8177000110.5A157 F165 G170 L199 I239 I240 R241A157-L167 HydrophobicContact CB-CB 4.27Å; F165-L167 HydrophobicContact CD1-CD2 4.06Å; F165-L167 HydrophobicContact CE1-CD1 3.78Å; F165-L167 HydrophobicContact CE1-CD2 4Å; F165-L167 HydrophobicContact CE1-CG 4.43Å; F165-L167 HydrophobicContact CZ-CD1 4.09Å; L167-G170 WeakPolarHBondContact CD1-O 3.24Å; L167-L199 HydrophobicContact CD1-CB 4.41Å; L167-L199 HydrophobicContact CD1-CD2 3.99Å; L167-I239 HydrophobicContact CD2-CG2 3.74Å; L167-I240 PolarHBondContact N-O 2.7Å; L167-R241 HydrophobicContact CD2-CB 4.23Å; L167-R241 VanDerWaalsContact O-CA 3.25Å; L167-R241 WeakPolarHBondContact O-CA 3.14Å
168H98.7Very high97.9Very high0 Ų022.1 Ų22.10%013%0.131CC..SBendtrans-69.4-64.6178.2-171.952000112.6D59 L85 D87 G118 N119 L200 R241 A242 H243D59-H168 IonicContact OD1-CE1 3.61Å; L85-H168 WeakPolarHBondContact O-CA 3.1Å; L85-H168 WeakPolarHBondContact O-CB 3.19Å; D87-H168 IonicContact OD1-CD2 2.94Å; D87-H168 IonicContact OD1-CE1 3.25Å; D87-H168 IonicContact OD1-NE2 2.92Å; D87-H168 PolarHBondContact OD1-NE2 3.47Å; D87-H168 IonicContact OD2-CE1 3.85Å; D87-H168 PolarHBondContact OD2-CE1 3.45Å; D87-H168 IonicContact OD2-NE2 2.71Å; D87-H168 PolarHBondContact OD2-NE2 2.85Å; G118-H168 VanDerWaalsContact CA-CD2 3.41Å; G118-H168 WeakPolarHBondContact CA-CD2 3.09Å; G118-H168 VanDerWaalsContact CA-CG 3.49Å; N119-H168 PolarHBondContact N-CD2 2.95Å; N119-H168 VanDerWaalsContact N-CD2 3.31Å; N119-H168 PolarHBondContact OD1-CD2 2.7Å; N119-H168 VanDerWaalsContact OD1-CD2 3.26Å; N119-H168 PolarHBondContact OD1-NE2 3.39Å; H168-L200 HydrophobicContact CB-CD2 4.21Å; H168-L200 PolarHBondContact CD2-O 2.88Å; H168-R241 PolarHBondContact O-NE 3.39Å; H168-A242 CarbonylContact O-C 3.23Å; H168-A242 PolarHBondContact O-N 3.48Å; H168-H243 AromaticContact CD2-ND1 3.75Å; H168-H243 AromaticContact NE2-CG 3.7Å; H168-H243 AromaticContact NE2-ND1 3.19Å; H168-H243 PolarHBondContact NE2-ND1 3.45Å; H168-H243 VanDerWaalsContact NE2-ND1 3.19Å; H168-H243 WeakPolarHBondContact O-CB 3.48Å
169G98.1Very high97.8Very high0 Ų026.2 Ų26.20%015%0.153CC..SBendtrans-78.4-120.2-174.900000110.5L199 L200 S202 R241G169-L199 CarbonylContact C-O 3.53Å; G169-L199 WeakPolarHBondContact CA-O 3.49Å; G169-L199 PolarHBondContact N-O 3.09Å; G169-L200 WeakPolarHBondContact CA-O 3.32Å; G169-S202 CarbonylContact C-O 3.57Å; G169-R241 WeakPolarHBondContact O-CB 3.25Å; G169-R241 PolarHBondContact O-NE 2.98Å; G169-R241 PolarHBondContact O-NH2 3.27Å
170G96.7Very high97.7Very high2 Ų228.7 Ų28.72%0.02116%0.164CC..  trans-151.4-158.1-173.400000111.9L167 L199 S202L167-G170 WeakPolarHBondContact CD1-O 3.24Å; G170-L199 PolarHBondContact N-O 2.92Å; G170-L199 WeakPolarHBondContact O-CA 3.49Å; G170-S202 PolarHBondContact N-O 3.16Å
171L97.9Very high97.7Very high1 Ų128.7 Ų28.71%0.00516%0.164CC..  trans-77.1156.4-175.5-59.8174000111.5F165 L175 S202 W211 F222 V226 V227 F230 I239F165-L171 HydrophobicContact CE1-CD2 4.46Å; L171-L175 HydrophobicContact CD2-CD2 4.33Å; L171-S202 VanDerWaalsContact O-CB 3.22Å; L171-S202 WeakPolarHBondContact O-CB 3.19Å; L171-S202 PolarHBondContact O-OG 2.87Å; L171-W211 HydrophobicContact CB-CH2 3.66Å; L171-W211 HydrophobicContact CB-CZ3 4.35Å; L171-W211 WeakPolarHBondContact O-CZ3 3.29Å; L171-F222 HydrophobicContact CB-CD1 4.27Å; L171-F222 HydrophobicContact CB-CE1 4.26Å; L171-F222 HydrophobicContact CB-CG 4.5Å; L171-F222 HydrophobicContact CB-CZ 4.46Å; L171-F222 HydrophobicContact CD1-CD2 4.21Å; L171-F222 HydrophobicContact CD1-CE2 4.13Å; L171-F222 HydrophobicContact CG-CE2 4.31Å; L171-F222 HydrophobicContact CG-CZ 4.28Å; L171-F222 VanDerWaalsContact N-CE1 3.34Å; L171-V226 HydrophobicContact CD1-CG1 4.1Å; L171-V227 HydrophobicContact CD1-CG2 4.28Å; L171-F230 HydrophobicContact CD1-CB 3.82Å; L171-F230 HydrophobicContact CD1-CD1 4.17Å; L171-F230 HydrophobicContact CD1-CD2 4.06Å; L171-F230 HydrophobicContact CD1-CG 3.72Å; L171-F230 HydrophobicContact CD2-CB 4.41Å; L171-F230 HydrophobicContact CD2-CD1 3.84Å; L171-F230 HydrophobicContact CD2-CE1 4.44Å; L171-F230 HydrophobicContact CD2-CG 4.21Å; L171-F230 HydrophobicContact CG-CD1 4.43Å; L171-F230 HydrophobicContact CG-CG 4.46Å; L171-I239 HydrophobicContact CD1-CD1 4.01Å; L171-I239 HydrophobicContact CD2-CD1 3.88Å; L171-I239 HydrophobicContact CG-CD1 4.31Å
172S97.2Very high97.7Very high0 Ų030.8 Ų30.80%017%0.165CC..  trans-111.3139.2169.8177.50000110N174 L175 D198 F230S172-N174 PolarHBondContact O-N 3.4Å; S172-N174 VanDerWaalsContact O-N 3.14Å; S172-N174 PolarHBondContact OG-N 2.91Å; S172-N174 VanDerWaalsContact OG-N 3.11Å; S172-L175 WeakPolarHBondContact O-CB 3.26Å; S172-L175 PolarHBondContact O-N 2.82Å; S172-D198 VanDerWaalsContact CB-CB 3.46Å; S172-D198 WeakPolarHBondContact CB-OD2 3.27Å; S172-D198 PolarHBondContact OG-OD2 3.45Å; S172-F230 VanDerWaalsContact O-CZ 3.26Å; S172-F230 WeakPolarHBondContact O-CZ 3.3Å
173P96.8Very high97.6Very high46 Ų4633.1 Ų33.130%0.29918%0.175SC..THydrogen-bonded Turntrans-60.8-20.5170.325.8-34000112.6W211 H220P173-W211 HydrophobicContact CB-CD2 3.94Å; P173-W211 HydrophobicContact CB-CE3 4.38Å; P173-W211 HydrophobicContact CB-CG 4.36Å; P173-W211 HydrophobicContact CB-CH2 4.4Å; P173-W211 HydrophobicContact CB-CZ2 3.95Å; P173-W211 HydrophobicContact CG-CD2 4.46Å; P173-W211 HydrophobicContact CG-CE3 4.47Å; P173-H220 VanDerWaalsContact CD-CD2 3.5Å; P173-H220 WeakPolarHBondContact CD-CD2 3.16Å
174N95.8Very high97.4Very high82 Ų8230.2 Ų30.244%0.43917%0.165SC..THydrogen-bonded Turntrans-89.7-5178-57.5-59.2000113.1S172 T176 Q180 F195S172-N174 PolarHBondContact O-N 3.4Å; S172-N174 VanDerWaalsContact O-N 3.14Å; S172-N174 PolarHBondContact OG-N 2.91Å; S172-N174 VanDerWaalsContact OG-N 3.11Å; N174-T176 PolarHBondContact O-N 2.64Å; N174-Q180 PolarHBondContact O-NE2 3.19Å; N174-Q180 PolarHBondContact O-OE1 3.05Å; N174-F195 HydrophobicContact CB-CD2 4.05Å
175L97.3Very high97.2Very high0 Ų040.1 Ų40.10%020%0.202CC..  trans-78.4114.9174.3177.267.3000109F165 L171 S172 D177 V181 F195 L199 F230 L234F165-L175 HydrophobicContact CE1-CD2 4.08Å; F165-L175 HydrophobicContact CZ-CD2 4.43Å; L171-L175 HydrophobicContact CD2-CD2 4.33Å; S172-L175 WeakPolarHBondContact O-CB 3.26Å; S172-L175 PolarHBondContact O-N 2.82Å; L175-D177 WeakPolarHBondContact CD1-O 3.44Å; L175-V181 HydrophobicContact CD1-CG2 3.89Å; L175-F195 HydrophobicContact CB-CE2 3.72Å; L175-F195 HydrophobicContact CB-CZ 4.28Å; L175-F195 HydrophobicContact CD1-CE2 4.15Å; L175-F195 HydrophobicContact CD1-CZ 3.83Å; L175-L199 HydrophobicContact CD2-CD2 4.33Å; L175-F230 HydrophobicContact CB-CE1 3.65Å; L175-F230 HydrophobicContact CB-CZ 4.34Å; L175-F230 HydrophobicContact CD2-CD1 4.06Å; L175-F230 HydrophobicContact CD2-CE1 3.84Å; L175-F230 HydrophobicContact CG-CD1 4.33Å; L175-F230 HydrophobicContact CG-CE1 3.75Å; L175-F230 WeakPolarHBondContact O-CE1 3.45Å; L175-F230 WeakPolarHBondContact O-CZ 3.39Å; L175-L234 HydrophobicContact CD2-CD1 3.87Å; L175-L234 HydrophobicContact CG-CD1 4.26Å
176T95.9Very high97Very high71 Ų7142 Ų4244%0.43621%0.209SC..  trans-123.1-27.5179.365.20000113.1N174 Q180 K233N174-T176 PolarHBondContact O-N 2.64Å; T176-Q180 PolarHBondContact OG1-OE1 2.88Å; T176-Q180 VanDerWaalsContact OG1-OE1 3.09Å; T176-K233 WeakPolarHBondContact O-CE 3.42Å
177D95.9Very high96.9Very high77 Ų7745 Ų4541%0.41223%0.229SC..  trans-146.7145.9-178.1-165.6-72000110.3L175 D179 Q180L175-D177 WeakPolarHBondContact CD1-O 3.44Å; D177-D179 PolarHBondContact O-N 2.73Å; D177-D179 VanDerWaalsContact OD1-CB 3.26Å; D177-D179 WeakPolarHBondContact OD1-CB 3.28Å; D177-D179 PolarHBondContact OD1-N 2.83Å; D177-Q180 WeakPolarHBondContact O-CB 3.48Å; D177-Q180 PolarHBondContact O-N 3Å; D177-Q180 VanDerWaalsContact O-N 3.15Å; D177-Q180 PolarHBondContact O-OE1 3Å
178M97.4Very high96.5Very high13 Ų1346.1 Ų46.16%0.06423%0.234CC..Hα-helixtrans-63.6-26177.8-70.5-63.7-83.500112.8L47 L159 F165 Q180 V181 R182 L234L47-M178 HydrophobicContact CD1-CE 3.92Å; L47-M178 HydrophobicContact CD2-CB 4.42Å; L47-M178 HydrophobicContact CD2-CE 3.74Å; L159-M178 HydrophobicContact CB-CE 4.13Å; L159-M178 HydrophobicContact CD1-CE 3.99Å; L159-M178 HydrophobicContact CD2-CE 3.87Å; L159-M178 HydrophobicContact CG-CE 4.21Å; F165-M178 HydrophobicContact CD2-CE 3.38Å; F165-M178 HydrophobicContact CD2-SD 4.03Å; F165-M178 HydrophobicContact CE2-CE 3.63Å; F165-M178 HydrophobicContact CE2-SD 3.98Å; F165-M178 HydrophobicContact CG-CE 4.17Å; F165-M178 HydrophobicContact CG-SD 4.47Å; F165-M178 HydrophobicContact CZ-SD 4.42Å; M178-Q180 PolarHBondContact O-N 3.17Å; M178-V181 WeakPolarHBondContact O-CB 3.5Å; M178-V181 PolarHBondContact O-N 2.97Å; M178-R182 PolarHBondContact O-N 3.01Å; M178-R182 VanDerWaalsContact O-N 3.15Å; M178-L234 HydrophobicContact CG-CB 4.4Å; M178-L234 HydrophobicContact CG-CD2 4.27Å; M178-L234 HydrophobicContact SD-CD1 4.01Å
179D97.7Very high95.2Very high86 Ų8650.6 Ų50.646%0.4627%0.266SS..Hα-helixtrans-63.8-23175.7-74.3-14.7000112.9D177 V181 R182 S183D177-D179 PolarHBondContact O-N 2.73Å; D177-D179 VanDerWaalsContact OD1-CB 3.26Å; D177-D179 WeakPolarHBondContact OD1-CB 3.28Å; D177-D179 PolarHBondContact OD1-N 2.83Å; D179-V181 VanDerWaalsContact C-N 3.29Å; D179-V181 PolarHBondContact O-N 3.34Å; D179-R182 PolarHBondContact O-N 3.46Å; D179-R182 WeakPolarHBondContact OD1-CD 3.06Å; D179-R182 IonicContact OD1-CZ 3.22Å; D179-R182 IonicContact OD1-NE 3.65Å; D179-R182 IonicContact OD1-NH1 2.83Å; D179-R182 PolarHBondContact OD1-NH1 2.7Å; D179-S183 WeakPolarHBondContact O-CB 3.2Å; D179-S183 PolarHBondContact O-N 3.4Å; D179-S183 PolarHBondContact O-OG 3.27Å
180Q97.5Very high93.5Very high65 Ų6555.7 Ų55.730%0.30429%0.292SS..Hα-helixtrans-63.6-39171.7-66.6173.4-71.900111N174 T176 D177 M178 S183 I184 F195N174-Q180 PolarHBondContact O-NE2 3.19Å; N174-Q180 PolarHBondContact O-OE1 3.05Å; T176-Q180 PolarHBondContact OG1-OE1 2.88Å; T176-Q180 VanDerWaalsContact OG1-OE1 3.09Å; D177-Q180 WeakPolarHBondContact O-CB 3.48Å; D177-Q180 PolarHBondContact O-N 3Å; D177-Q180 VanDerWaalsContact O-N 3.15Å; D177-Q180 PolarHBondContact O-OE1 3Å; M178-Q180 PolarHBondContact O-N 3.17Å; Q180-S183 PolarHBondContact O-N 3.31Å; Q180-I184 WeakPolarHBondContact O-CG1 3.39Å; Q180-I184 PolarHBondContact O-N 3.46Å; Q180-F195 HydrophobicContact CB-CE1 4.03Å; Q180-F195 HydrophobicContact CB-CZ 3.81Å
181V97.8Very high91.4Very high0 Ų061.2 Ų61.20%033%0.325CS..Hα-helixtrans-71.7-42.2176.2-170.60000110.6S46 L47 A157 F165 L175 M178 D179 S183 I184 F195 L199S46-V181 VanDerWaalsContact CB-O 3.28Å; S46-V181 WeakPolarHBondContact CB-O 3.48Å; L47-V181 HydrophobicContact CB-CB 4.36Å; L47-V181 HydrophobicContact CB-CG1 4.02Å; L47-V181 HydrophobicContact CD1-CG1 4.27Å; A157-V181 HydrophobicContact CB-CG1 3.87Å; F165-V181 HydrophobicContact CZ-CG2 4.43Å; L175-V181 HydrophobicContact CD1-CG2 3.89Å; M178-V181 WeakPolarHBondContact O-CB 3.5Å; M178-V181 PolarHBondContact O-N 2.97Å; D179-V181 VanDerWaalsContact C-N 3.29Å; D179-V181 PolarHBondContact O-N 3.34Å; V181-S183 PolarHBondContact O-N 3.32Å; V181-I184 HydrophobicContact CB-CD1 4.4Å; V181-I184 HydrophobicContact CG1-CD1 3.98Å; V181-I184 WeakPolarHBondContact O-CG1 3.28Å; V181-I184 PolarHBondContact O-N 3.41Å; V181-F195 HydrophobicContact CG2-CE1 4.45Å; V181-F195 HydrophobicContact CG2-CZ 4.2Å; V181-L199 HydrophobicContact CG2-CD1 4.18Å
182R97.8Very high89.5Confident88 Ų8868 Ų6833%0.33236%0.356SS..Hα-helixtrans-57.1-35.6174.3-65-173.5-177.5914.1112.2L47 E49 M178 D179L47-R182 HydrophobicContact CB-CG 3.89Å; L47-R182 HydrophobicContact CD2-CG 3.75Å; L47-R182 HydrophobicContact CG-CG 4.44Å; E49-R182 IonicContact OE1-CZ 2.67Å; E49-R182 VanDerWaalsContact OE1-CZ 3.25Å; E49-R182 IonicContact OE1-NE 2.92Å; E49-R182 PolarHBondContact OE1-NE 2.8Å; E49-R182 IonicContact OE1-NH2 3.95Å; E49-R182 PolarHBondContact OE1-NH2 3.17Å; M178-R182 PolarHBondContact O-N 3.01Å; M178-R182 VanDerWaalsContact O-N 3.15Å; D179-R182 PolarHBondContact O-N 3.46Å; D179-R182 WeakPolarHBondContact OD1-CD 3.06Å; D179-R182 IonicContact OD1-CZ 3.22Å; D179-R182 IonicContact OD1-NE 3.65Å; D179-R182 IonicContact OD1-NH1 2.83Å; D179-R182 PolarHBondContact OD1-NH1 2.7Å
183S96.7Very high88.1Confident88 Ų8872.7 Ų72.762%0.61538%0.378SS*.THydrogen-bonded Turntrans-83.8-5.4-176.1-59.10000114.7D179 Q180 V181 R185D179-S183 WeakPolarHBondContact O-CB 3.2Å; D179-S183 PolarHBondContact O-N 3.4Å; D179-S183 PolarHBondContact O-OG 3.27Å; Q180-S183 PolarHBondContact O-N 3.31Å; V181-S183 PolarHBondContact O-N 3.32Å; S183-R185 PolarHBondContact O-N 2.95Å
184I95.7Very high87.4Confident11 Ų1175.2 Ų75.26%0.05639%0.393CS..  trans-59.1123.5175.8-65.2166.2000108.6S46 I156 Q180 V181 L188 F195 V196 L199S46-I184 WeakPolarHBondContact CB-O 3.34Å; S46-I184 PolarHBondContact OG-O 2.93Å; I156-I184 HydrophobicContact CB-CD1 4.13Å; I156-I184 HydrophobicContact CG1-CD1 3.96Å; I156-I184 HydrophobicContact CG1-CG2 4.14Å; I156-I184 HydrophobicContact CG2-CD1 4.05Å; Q180-I184 WeakPolarHBondContact O-CG1 3.39Å; Q180-I184 PolarHBondContact O-N 3.46Å; V181-I184 HydrophobicContact CB-CD1 4.4Å; V181-I184 HydrophobicContact CG1-CD1 3.98Å; V181-I184 WeakPolarHBondContact O-CG1 3.28Å; V181-I184 PolarHBondContact O-N 3.41Å; I184-L188 HydrophobicContact CG2-CD2 3.95Å; I184-F195 HydrophobicContact CD1-CD1 4.26Å; I184-F195 HydrophobicContact CD1-CE1 3.96Å; I184-F195 HydrophobicContact CG1-CD1 4.33Å; I184-F195 HydrophobicContact CG1-CE1 4.17Å; I184-V196 HydrophobicContact CD1-CG2 4.04Å; I184-V196 HydrophobicContact CG1-CG2 4.25Å; I184-V196 HydrophobicContact CG2-CG2 3.95Å; I184-L199 HydrophobicContact CD1-CD1 4.2Å
185R94.3Very high87.3Confident212 Ų21272.7 Ų72.780%0.838%0.378SS*.  trans-81.7136.4178.1-68.7-176.8178.6161.30.6110.4S183 L188S183-R185 PolarHBondContact O-N 2.95Å; R185-L188 VanDerWaalsContact O-CD2 3.29Å; R185-L188 WeakPolarHBondContact O-CD2 3.42Å
186R94.8Very high87.2Confident41 Ų4173 Ų7316%0.15538%0.38CS..SBendtrans-120.4142.8174.5-62.6179-59.8137.421.7108.8L41 E44 S46 Y153 L154 P155L41-R186 PolarHBondContact O-NH2 2.94Å; E44-R186 VanDerWaalsContact C-NH2 3.32Å; E44-R186 PolarHBondContact O-NH2 3.38Å; S46-R186 WeakPolarHBondContact OG-CD 3.28Å; S46-R186 PolarHBondContact OG-NE 3.45Å; Y153-R186 HydrophobicContact CD1-CB 4.13Å; Y153-R186 PolarHBondContact O-NH1 3.13Å; L154-R186 VanDerWaalsContact C-NH1 3.29Å; L154-R186 WeakPolarHBondContact O-CD 3.33Å; P155-R186 VanDerWaalsContact CD-NH1 3.32Å
187P95.2Very high87.1Confident62 Ų6270.3 Ų70.340%0.40336%0.364SS..SBendcis-81.7148.41432-31.7000113.4A152 Y153A152-P187 HydrophobicContact CB-CB 3.62Å; A152-P187 CarbonylContact O-C 3.14Å; A152-P187 WeakPolarHBondContact O-CA 3.17Å; Y153-P187 HydrophobicContact CD1-CB 4.24Å; Y153-P187 HydrophobicContact CD2-CB 4.02Å; Y153-P187 HydrophobicContact CE1-CB 4.04Å; Y153-P187 HydrophobicContact CE1-CG 4.12Å; Y153-P187 HydrophobicContact CE2-CB 3.82Å; Y153-P187 HydrophobicContact CE2-CG 4.02Å; Y153-P187 HydrophobicContact CG-CB 4.23Å
188L91.6Very high87.1Confident23 Ų2366.9 Ų66.912%0.1235%0.346CS..  trans-88.4115.4171.8-52.6162.5000110.1R117 A152 I156 I184 R185 I190 V196R117-L188 VanDerWaalsContact NH1-CB 3.34Å; A152-L188 PolarHBondContact O-N 3.45Å; I156-L188 HydrophobicContact CD1-CD1 3.54Å; I184-L188 HydrophobicContact CG2-CD2 3.95Å; R185-L188 VanDerWaalsContact O-CD2 3.29Å; R185-L188 WeakPolarHBondContact O-CD2 3.42Å; L188-I190 PolarHBondContact O-N 2.94Å; L188-V196 HydrophobicContact CD1-CG1 3.72Å; L188-V196 HydrophobicContact CD2-CG2 4.35Å
189S71.8Confident87.2Confident94 Ų9466.3 Ų66.366%0.65734%0.343SS*.  trans-9770.6-17752.50000112V191S189-V191 PolarHBondContact O-N 3.09Å
190I62.1Low87.1Confident108 Ų10862.9 Ų62.955%0.55433%0.325SS*.SBendtrans66-34.7170.9-57.5165.1000115.8H123 A124 L188 Q192H123-I190 HydrophobicContact CB-CD1 4.33Å; H123-I190 HydrophobicContact CB-CG1 4.39Å; A124-I190 HydrophobicContact CB-CG2 4.43Å; L188-I190 PolarHBondContact O-N 2.94Å; I190-Q192 PolarHBondContact O-N 2.85Å; I190-Q192 VanDerWaalsContact O-N 3.11Å
191V53Low87.1Confident118 Ų11861.8 Ų61.872%0.71532%0.318SS*.  trans-66.6117.1-171.8-175.30000108.4S189 E193S189-V191 PolarHBondContact O-N 3.09Å; V191-E193 PolarHBondContact O-N 3.15Å
192Q57.5Low87.1Confident142 Ų14261.8 Ų61.866%0.66432%0.318SS*.  trans-57.271.7175.7-62.4162.93.100110I190 T194 I218I190-Q192 PolarHBondContact O-N 2.85Å; I190-Q192 VanDerWaalsContact O-N 3.11Å; Q192-T194 PolarHBondContact O-N 3.07Å; Q192-I218 HydrophobicContact CG-CD1 4.07Å
193E67.3Low87.1Confident99 Ų9958.2 Ų58.246%0.46331%0.306SS..  trans-54.8114.1157-71.6-170.7-170.600105.1V191 F195 V196 S197V191-E193 PolarHBondContact O-N 3.15Å; E193-F195 PolarHBondContact O-N 2.9Å; E193-F195 VanDerWaalsContact O-N 3.15Å; E193-V196 HydrophobicContact CB-CB 4.41Å; E193-V196 HydrophobicContact CB-CG2 4.16Å; E193-V196 PolarHBondContact O-N 3.05Å; E193-V196 VanDerWaalsContact O-N 3.09Å; E193-S197 PolarHBondContact O-N 3.47Å; E193-S197 PolarHBondContact O-OG 2.67Å
194T83.3Confident87.2Confident100 Ų10054.8 Ų54.861%0.61328%0.281SS*.Hα-helixtrans-53.5-40.3-171.948.30000109.9Q192 S197 D198Q192-T194 PolarHBondContact O-N 3.07Å; T194-S197 PolarHBondContact O-N 3.5Å; T194-D198 PolarHBondContact O-N 2.86Å
195F93.9Very high87.3Confident28 Ų2856 Ų5612%0.12329%0.288CS..Hα-helixtrans-58.1-54175.7-176.2-119.5000114.3N174 L175 Q180 V181 I184 E193 S197 D198 L199N174-F195 HydrophobicContact CB-CD2 4.05Å; L175-F195 HydrophobicContact CB-CE2 3.72Å; L175-F195 HydrophobicContact CB-CZ 4.28Å; L175-F195 HydrophobicContact CD1-CE2 4.15Å; L175-F195 HydrophobicContact CD1-CZ 3.83Å; Q180-F195 HydrophobicContact CB-CE1 4.03Å; Q180-F195 HydrophobicContact CB-CZ 3.81Å; V181-F195 HydrophobicContact CG2-CE1 4.45Å; V181-F195 HydrophobicContact CG2-CZ 4.2Å; I184-F195 HydrophobicContact CD1-CD1 4.26Å; I184-F195 HydrophobicContact CD1-CE1 3.96Å; I184-F195 HydrophobicContact CG1-CD1 4.33Å; I184-F195 HydrophobicContact CG1-CE1 4.17Å; E193-F195 PolarHBondContact O-N 2.9Å; E193-F195 VanDerWaalsContact O-N 3.15Å; F195-S197 VanDerWaalsContact C-N 3.3Å; F195-S197 PolarHBondContact O-N 3.01Å; F195-D198 WeakPolarHBondContact O-CB 3.34Å; F195-D198 PolarHBondContact O-N 3.27Å; F195-L199 HydrophobicContact CD1-CD1 4.4Å; F195-L199 HydrophobicContact CE1-CD1 3.93Å; F195-L199 HydrophobicContact CE2-CD1 4.49Å; F195-L199 HydrophobicContact CZ-CD1 3.99Å; F195-L199 WeakPolarHBondContact O-CG 3.43Å; F195-L199 PolarHBondContact O-N 3.03Å
196V95Very high87.3Confident7 Ų752.7 Ų52.74%0.04228%0.275CS..Hα-helixtrans-65.5-39.3-179.8-178.80000110.6I156 I184 L188 E193 D198 L199 L200I156-V196 HydrophobicContact CD1-CG1 4.2Å; I156-V196 HydrophobicContact CG2-CG1 4.45Å; I184-V196 HydrophobicContact CD1-CG2 4.04Å; I184-V196 HydrophobicContact CG1-CG2 4.25Å; I184-V196 HydrophobicContact CG2-CG2 3.95Å; L188-V196 HydrophobicContact CD1-CG1 3.72Å; L188-V196 HydrophobicContact CD2-CG2 4.35Å; E193-V196 HydrophobicContact CB-CB 4.41Å; E193-V196 HydrophobicContact CB-CG2 4.16Å; E193-V196 PolarHBondContact O-N 3.05Å; E193-V196 VanDerWaalsContact O-N 3.09Å; V196-D198 VanDerWaalsContact C-N 3.3Å; V196-D198 PolarHBondContact O-N 2.99Å; V196-L199 PolarHBondContact O-N 3.1Å; V196-L199 VanDerWaalsContact O-N 3.14Å; V196-L200 HydrophobicContact CG1-CD1 3.95Å; V196-L200 HydrophobicContact CG1-CG 4.28Å; V196-L200 WeakPolarHBondContact O-CG 3.4Å; V196-L200 PolarHBondContact O-N 3.21Å; V196-L200 VanDerWaalsContact O-N 3.1Å
197S94Very high87.3Confident14 Ų1459.3 Ų59.310%0.09831%0.308CS..Hα-helixtrans-60.7-41.6178.2-54.40000111.2E193 T194 F195 L199 L200 W201E193-S197 PolarHBondContact O-N 3.47Å; E193-S197 PolarHBondContact O-OG 2.67Å; T194-S197 PolarHBondContact O-N 3.5Å; F195-S197 VanDerWaalsContact C-N 3.3Å; F195-S197 PolarHBondContact O-N 3.01Å; S197-L199 VanDerWaalsContact C-N 3.35Å; S197-L199 PolarHBondContact O-N 3.27Å; S197-L200 PolarHBondContact O-N 2.63Å; S197-W201 VanDerWaalsContact O-CB 3.28Å; S197-W201 WeakPolarHBondContact O-CB 3.36Å; S197-W201 VanDerWaalsContact O-CD1 3.22Å; S197-W201 PolarHBondContact O-N 3.1Å
198D95.9Very high87.1Confident6 Ų662.1 Ų62.13%0.03231%0.314CS..Hα-helixtrans-59.2-45.6174.1-61.3-22.9000111.6S172 T194 F195 V196 L200 W201 S202 H220S172-D198 VanDerWaalsContact CB-CB 3.46Å; S172-D198 WeakPolarHBondContact CB-OD2 3.27Å; S172-D198 PolarHBondContact OG-OD2 3.45Å; T194-D198 PolarHBondContact O-N 2.86Å; F195-D198 WeakPolarHBondContact O-CB 3.34Å; F195-D198 PolarHBondContact O-N 3.27Å; V196-D198 VanDerWaalsContact C-N 3.3Å; V196-D198 PolarHBondContact O-N 2.99Å; D198-L200 PolarHBondContact O-N 3.27Å; D198-W201 PolarHBondContact O-N 2.88Å; D198-S202 WeakPolarHBondContact O-CB 3.49Å; D198-S202 PolarHBondContact O-N 2.94Å; D198-S202 PolarHBondContact O-OG 3.28Å; D198-H220 IonicContact OD1-CD2 3.27Å; D198-H220 PolarHBondContact OD1-CD2 2.99Å; D198-H220 VanDerWaalsContact OD1-CD2 3.29Å; D198-H220 IonicContact OD1-NE2 3.58Å; D198-H220 IonicContact OD2-CD2 2.91Å
199L97.5Very high87.3Confident1 Ų167.1 Ų67.11%0.00534%0.341CS..Hα-helixtrans-62.9-25.9179.5-62.4179.2000113.4I156 L167 G169 G170 L175 V181 I184 F195 V196 S197I156-L199 HydrophobicContact CG2-CB 4.27Å; I156-L199 HydrophobicContact CG2-CD1 3.94Å; L167-L199 HydrophobicContact CD1-CB 4.41Å; L167-L199 HydrophobicContact CD1-CD2 3.99Å; G169-L199 CarbonylContact C-O 3.53Å; G169-L199 WeakPolarHBondContact CA-O 3.49Å; G169-L199 PolarHBondContact N-O 3.09Å; G170-L199 PolarHBondContact N-O 2.92Å; G170-L199 WeakPolarHBondContact O-CA 3.49Å; L175-L199 HydrophobicContact CD2-CD2 4.33Å; V181-L199 HydrophobicContact CG2-CD1 4.18Å; I184-L199 HydrophobicContact CD1-CD1 4.2Å; F195-L199 HydrophobicContact CD1-CD1 4.4Å; F195-L199 HydrophobicContact CE1-CD1 3.93Å; F195-L199 HydrophobicContact CE2-CD1 4.49Å; F195-L199 HydrophobicContact CZ-CD1 3.99Å; F195-L199 WeakPolarHBondContact O-CG 3.43Å; F195-L199 PolarHBondContact O-N 3.03Å; V196-L199 PolarHBondContact O-N 3.1Å; V196-L199 VanDerWaalsContact O-N 3.14Å; S197-L199 VanDerWaalsContact C-N 3.35Å; S197-L199 PolarHBondContact O-N 3.27Å
200L96.8Very high88.6Confident13 Ų1363.6 Ų63.67%0.06832%0.319CS..Hα-helixtrans-97.8-20.4-178.9-61.5-178.2000114R117 N119 H168 G169 V196 S197 D198R117-L200 HydrophobicContact CG-CD1 4.45Å; R117-L200 WeakPolarHBondContact O-CD2 3.13Å; N119-L200 HydrophobicContact CB-CB 4.31Å; H168-L200 HydrophobicContact CB-CD2 4.21Å; H168-L200 PolarHBondContact CD2-O 2.88Å; G169-L200 WeakPolarHBondContact CA-O 3.32Å; V196-L200 HydrophobicContact CG1-CD1 3.95Å; V196-L200 HydrophobicContact CG1-CG 4.28Å; V196-L200 WeakPolarHBondContact O-CG 3.4Å; V196-L200 PolarHBondContact O-N 3.21Å; V196-L200 VanDerWaalsContact O-N 3.1Å; S197-L200 PolarHBondContact O-N 2.63Å; D198-L200 PolarHBondContact O-N 3.27Å
201W96.7Very high90.3Very high42 Ų4262.6 Ų62.616%0.15931%0.308CS..Hα-helixtrans-125.6-15.4-170.2-69.688.9000115.7N119 V125 S197 D198 R216 I218N119-W201 HydrophobicContact CB-CD2 3.9Å; N119-W201 VanDerWaalsContact CB-CE2 3.44Å; N119-W201 HydrophobicContact CB-CE3 4.49Å; N119-W201 HydrophobicContact CB-CG 4.32Å; N119-W201 HydrophobicContact CB-CH2 4.33Å; N119-W201 HydrophobicContact CB-CZ2 3.71Å; N119-W201 VanDerWaalsContact ND2-CH2 3.29Å; N119-W201 WeakPolarHBondContact ND2-CH2 3.48Å; N119-W201 WeakPolarHBondContact ND2-CZ3 3.14Å; V125-W201 HydrophobicContact CG2-CH2 3.96Å; V125-W201 HydrophobicContact CG2-CZ2 3.59Å; S197-W201 VanDerWaalsContact O-CB 3.28Å; S197-W201 WeakPolarHBondContact O-CB 3.36Å; S197-W201 VanDerWaalsContact O-CD1 3.22Å; S197-W201 PolarHBondContact O-N 3.1Å; D198-W201 PolarHBondContact O-N 2.88Å; W201-R216 HydrophobicContact CE3-CB 4.12Å; W201-R216 HydrophobicContact CZ3-CB 4.46Å; W201-I218 HydrophobicContact CB-CG2 3.95Å; W201-I218 HydrophobicContact CD2-CG2 3.41Å; W201-I218 VanDerWaalsContact CD2-CG2 3.41Å; W201-I218 HydrophobicContact CE3-CG2 3.66Å; W201-I218 HydrophobicContact CG-CG2 3.58Å; W201-I218 HydrophobicContact CZ2-CG2 4.44Å; W201-I218 HydrophobicContact CZ3-CG2 4.28Å
202S97.7Very high92.4Very high0 Ų057.8 Ų57.80%028%0.283CS..  trans-68.8150.5-177.6-69.70000112.4G169 G170 L171 D198 H220 R241G169-S202 CarbonylContact C-O 3.57Å; G170-S202 PolarHBondContact N-O 3.16Å; L171-S202 VanDerWaalsContact O-CB 3.22Å; L171-S202 WeakPolarHBondContact O-CB 3.19Å; L171-S202 PolarHBondContact O-OG 2.87Å; D198-S202 WeakPolarHBondContact O-CB 3.49Å; D198-S202 PolarHBondContact O-N 2.94Å; D198-S202 PolarHBondContact O-OG 3.28Å; S202-H220 CarbonylContact C-O 3.59Å; S202-H220 WeakPolarHBondContact CA-O 3.37Å; S202-H220 VanDerWaalsContact CB-O 3.22Å; S202-H220 WeakPolarHBondContact CB-O 3.46Å; S202-H220 PolarHBondContact OG-N 3Å; S202-H220 PolarHBondContact OG-O 3.18Å; S202-R241 PolarHBondContact O-NH2 3.04Å
203D98.4Very high94.1Very high14 Ų1457.2 Ų57.28%0.07529%0.289CS..EExtended strand (participates in β ladder)trans-129.9145.9-178.9-71.8-47.5000113.6R216 H220 T221 F222 R241 H243 Q244D203-R216 VanDerWaalsContact CG-NH2 3.32Å; D203-R216 IonicContact OD1-CZ 3.56Å; D203-R216 IonicContact OD1-NE 3.12Å; D203-R216 IonicContact OD1-NH2 3.98Å; D203-R216 PolarHBondContact OD1-NH2 2.58Å; D203-R216 IonicContact OD2-CZ 3.75Å; D203-R216 IonicContact OD2-NE 3.19Å; D203-R216 PolarHBondContact OD2-NE 3.31Å; D203-R216 IonicContact OD2-NH2 2.69Å; D203-R216 PolarHBondContact OD2-NH2 3.29Å; D203-H220 PolarHBondContact N-O 2.89Å; D203-T221 CarbonylContact O-C 3.43Å; D203-T221 WeakPolarHBondContact O-CA 3.33Å; D203-F222 WeakPolarHBondContact O-CD1 3.22Å; D203-F222 WeakPolarHBondContact O-CE1 3.32Å; D203-F222 PolarHBondContact O-N 2.91Å; D203-R241 IonicContact OD1-CZ 3.71Å; D203-R241 IonicContact OD1-NH1 3.58Å; D203-R241 PolarHBondContact OD1-NH1 2.97Å; D203-R241 IonicContact OD1-NH2 3.84Å; D203-R241 PolarHBondContact OD1-NH2 3.23Å; D203-H243 IonicContact OD1-CD2 2.7Å; D203-H243 PolarHBondContact OD1-CD2 3.32Å; D203-Q244 VanDerWaalsContact OD1-CD 3.27Å; D203-Q244 VanDerWaalsContact OD1-CG 3.27Å; D203-Q244 WeakPolarHBondContact OD1-CG 3.46Å
204P98.2Very high95.4Very high16 Ų1653 Ų5310%0.10427%0.27CS..EExtended strand (participates in β ladder)trans-64.8147.716628.9-35000111.8F222 Q244 F253 L258P204-F222 CarbonylContact C-O 3.5Å; P204-F222 WeakPolarHBondContact CA-O 3.41Å; P204-F222 HydrophobicContact CB-CE2 3.93Å; P204-F222 HydrophobicContact CB-CZ 4.14Å; P204-Q244 VanDerWaalsContact CD-OE1 3.26Å; P204-F253 HydrophobicContact CB-CD1 3.97Å; P204-F253 HydrophobicContact CB-CD2 4.07Å; P204-F253 HydrophobicContact CB-CE1 3.85Å; P204-F253 HydrophobicContact CB-CE2 3.94Å; P204-F253 HydrophobicContact CB-CG 4.07Å; P204-F253 HydrophobicContact CB-CZ 3.83Å; P204-L258 HydrophobicContact CG-CD2 4.39Å
205N97.5Very high95.9Very high36 Ų3658.4 Ų58.419%0.19329%0.286CS..  trans-135113.5173.1-176.3-20.3000110.2E207 F222N205-E207 VanDerWaalsContact C-N 3.28Å; N205-E207 PolarHBondContact O-N 2.89Å; N205-E207 PolarHBondContact OD1-N 2.63Å; N205-F222 PolarHBondContact N-O 3.24Å
206R95Very high95.8Very high143 Ų14361.5 Ų61.554%0.5430%0.296SS..THydrogen-bonded Turntrans-71.5-21-175.7-164.5-178.5-67-86.64.4113.7E251 F252 F253R206-E251 IonicContact CZ-OE1 3.68Å; R206-E251 IonicContact NH2-OE1 3.8Å; R206-E251 PolarHBondContact NH2-OE1 3.01Å; R206-F252 PolarHBondContact NH2-O 3.27Å; R206-F253 HydrophobicContact CB-CE2 3.93Å; R206-F253 HydrophobicContact CG-CE2 4.37Å
207E94.2Very high95.7Very high180 Ų18064.8 Ų64.884%0.84133%0.332SS*.THydrogen-bonded Turntrans-92-5.2-172.4-58.5-179.3165.800113.3N205N205-E207 VanDerWaalsContact C-N 3.28Å; N205-E207 PolarHBondContact O-N 2.89Å; N205-E207 PolarHBondContact OD1-N 2.63Å
208K92.5Very high95.6Very high121 Ų12166 Ų6653%0.52634%0.337SS..  trans-133.2147.1-174.8-63.7-171.9178.8-1770111.2G223 P224K208-G223 WeakPolarHBondContact O-CA 3.45Å; K208-P224 WeakPolarHBondContact O-CD 3.47Å
209N95.6Very high95.5Very high127 Ų12766.3 Ų66.368%0.67934%0.342SS*.SBendtrans-94156.6165.6-70.3-17.8000110.1D225N209-D225 VanDerWaalsContact CA-OD1 3.3Å; N209-D225 WeakPolarHBondContact CA-OD1 3.21Å
210G98Very high95.5Very high20 Ų2069 Ų6921%0.20635%0.354CS..SBendtrans68.2-155.2178.600000113F222 G223 D225G210-F222 CarbonylContact O-C 3.48Å; G210-F222 WeakPolarHBondContact O-CA 3.31Å; G210-G223 PolarHBondContact O-N 2.93Å; G210-D225 VanDerWaalsContact N-CG 3.28Å; G210-D225 PolarHBondContact N-OD1 3.08Å; G210-D225 PolarHBondContact N-OD2 3.25Å
211W98Very high95.5Very high87 Ų8769.1 Ų69.133%0.3336%0.355SS..EExtended strand (participates in β ladder)trans-92.4146.8-180-62.596.1000111.7L171 P173 H220 T221 F222 V226 F230L171-W211 HydrophobicContact CB-CH2 3.66Å; L171-W211 HydrophobicContact CB-CZ3 4.35Å; L171-W211 WeakPolarHBondContact O-CZ3 3.29Å; P173-W211 HydrophobicContact CB-CD2 3.94Å; P173-W211 HydrophobicContact CB-CE3 4.38Å; P173-W211 HydrophobicContact CB-CG 4.36Å; P173-W211 HydrophobicContact CB-CH2 4.4Å; P173-W211 HydrophobicContact CB-CZ2 3.95Å; P173-W211 HydrophobicContact CG-CD2 4.46Å; P173-W211 HydrophobicContact CG-CE3 4.47Å; W211-H220 HydrophobicContact CE3-CB 3.72Å; W211-H220 HydrophobicContact CZ3-CB 4.04Å; W211-T221 CarbonylContact C-O 3.55Å; W211-T221 WeakPolarHBondContact CA-O 3.4Å; W211-F222 HydrophobicContact CD2-CB 4.39Å; W211-F222 HydrophobicContact CE3-CB 3.78Å; W211-F222 HydrophobicContact CH2-CB 4.27Å; W211-F222 HydrophobicContact CZ3-CB 3.72Å; W211-F222 HydrophobicContact CZ3-CD1 4.03Å; W211-F222 HydrophobicContact CZ3-CG 4.2Å; W211-V226 HydrophobicContact CD2-CG1 4.5Å; W211-V226 HydrophobicContact CH2-CG1 3.82Å; W211-V226 HydrophobicContact CZ2-CG1 3.38Å; W211-F230 HydrophobicContact CH2-CE2 4.44Å; W211-F230 HydrophobicContact CH2-CZ 4.44Å; W211-F230 AromaticContact CZ2-CE2 3.71Å; W211-F230 HydrophobicContact CZ2-CE2 3.71Å; W211-F230 AromaticContact CZ2-CZ 3.93Å; W211-F230 HydrophobicContact CZ2-CZ 3.93Å
212G96.5Very high95.6Very high17 Ų1767.1 Ų67.118%0.17535%0.348CS..EExtended strand (participates in β ladder)trans-139.9169.817500000112.3H220 T221G212-H220 WeakPolarHBondContact O-CA 3.46Å; G212-T221 VanDerWaalsContact CA-OG1 3.31Å; G212-T221 WeakPolarHBondContact CA-OG1 3.46Å; G212-T221 PolarHBondContact N-O 3.4Å; G212-T221 PolarHBondContact O-N 3.4Å
213T94.9Very high95.7Very high131 Ų13167.1 Ų67.180%0.80435%0.348SS*.EExtended strand (participates in β ladder)trans-74.8131.2177.3-50.70000110.9
214S93.9Very high95.7Very high9 Ų967.9 Ų67.96%0.06335%0.354CS..  trans-69.5135.3174178.80000112R216 G217 I218 G219S214-R216 PolarHBondContact O-N 3.34Å; S214-R216 WeakPolarHBondContact OG-CB 3.41Å; S214-R216 WeakPolarHBondContact OG-CG 3.42Å; S214-R216 PolarHBondContact OG-N 3.06Å; S214-G217 PolarHBondContact O-N 2.9Å; S214-I218 WeakPolarHBondContact CB-O 3.28Å; S214-I218 PolarHBondContact OG-O 3.4Å; S214-G219 WeakPolarHBondContact CB-O 3.35Å
215K93Very high95.7Very high215 Ų21570.2 Ų70.294%0.93537%0.365SS*.THydrogen-bonded Turntrans-69.9-12.3170-67.2-179.3-178.9175.20112.4G217K215-G217 PolarHBondContact O-N 3.06Å
216R92.5Very high95.7Very high92 Ų9268.7 Ų68.735%0.34736%0.357SS..THydrogen-bonded Turntrans-77.8-8.6177.5-51.9-172.9-175-108.99.2113.1W201 D203 S214 I218 H243W201-R216 HydrophobicContact CE3-CB 4.12Å; W201-R216 HydrophobicContact CZ3-CB 4.46Å; D203-R216 VanDerWaalsContact CG-NH2 3.32Å; D203-R216 IonicContact OD1-CZ 3.56Å; D203-R216 IonicContact OD1-NE 3.12Å; D203-R216 IonicContact OD1-NH2 3.98Å; D203-R216 PolarHBondContact OD1-NH2 2.58Å; D203-R216 IonicContact OD2-CZ 3.75Å; D203-R216 IonicContact OD2-NE 3.19Å; D203-R216 PolarHBondContact OD2-NE 3.31Å; D203-R216 IonicContact OD2-NH2 2.69Å; D203-R216 PolarHBondContact OD2-NH2 3.29Å; S214-R216 PolarHBondContact O-N 3.34Å; S214-R216 WeakPolarHBondContact OG-CB 3.41Å; S214-R216 WeakPolarHBondContact OG-CG 3.42Å; S214-R216 PolarHBondContact OG-N 3.06Å; R216-I218 PolarHBondContact O-N 2.88Å; R216-H243 WeakPolarHBondContact CD-NE2 3.2Å; R216-H243 PolarHBondContact NE-NE2 3.27Å; R216-H243 VanDerWaalsContact NE-NE2 3.11Å; R216-H243 PolarHBondContact NH1-CE1 3.08Å; R216-H243 PolarHBondContact NH1-NE2 2.72Å; R216-H243 VanDerWaalsContact NH1-NE2 3.15Å; R216-H243 PolarHBondContact NH2-CD2 3.38Å; R216-H243 PolarHBondContact NH2-NE2 3.46Å; R216-H243 PolarHBondContact NH2-O 3.28Å
217G92.3Very high95.9Very high77 Ų7761.9 Ų61.979%0.79433%0.331SS*.SBendtrans78.2-3-175.100000114.4S214 K215S214-G217 PolarHBondContact O-N 2.9Å; K215-G217 PolarHBondContact O-N 3.06Å
218I93.3Very high96.1Very high38 Ų3857.6 Ų57.620%0.19531%0.311CS..SBendtrans-146.7153.4176.6-169.9165.3000109.5Q192 W201 S214 R216Q192-I218 HydrophobicContact CG-CD1 4.07Å; W201-I218 HydrophobicContact CB-CG2 3.95Å; W201-I218 HydrophobicContact CD2-CG2 3.41Å; W201-I218 VanDerWaalsContact CD2-CG2 3.41Å; W201-I218 HydrophobicContact CE3-CG2 3.66Å; W201-I218 HydrophobicContact CG-CG2 3.58Å; W201-I218 HydrophobicContact CZ2-CG2 4.44Å; W201-I218 HydrophobicContact CZ3-CG2 4.28Å; S214-I218 WeakPolarHBondContact CB-O 3.28Å; S214-I218 PolarHBondContact OG-O 3.4Å; R216-I218 PolarHBondContact O-N 2.88Å
219G93.7Very high96.4Very high14 Ų1455.9 Ų55.914%0.14431%0.305CS..SBendtrans70.2-165.3-17200000112.7S214S214-G219 WeakPolarHBondContact CB-O 3.35Å
220H96.2Very high96.5Very high57 Ų5750 Ų5026%0.26427%0.273SS..EExtended strand (participates in β ladder)trans-129.4163-175.5-65.4-83.9000112.2P173 D198 S202 D203 W211 G212P173-H220 VanDerWaalsContact CD-CD2 3.5Å; P173-H220 WeakPolarHBondContact CD-CD2 3.16Å; D198-H220 IonicContact OD1-CD2 3.27Å; D198-H220 PolarHBondContact OD1-CD2 2.99Å; D198-H220 VanDerWaalsContact OD1-CD2 3.29Å; D198-H220 IonicContact OD1-NE2 3.58Å; D198-H220 IonicContact OD2-CD2 2.91Å; S202-H220 CarbonylContact C-O 3.59Å; S202-H220 WeakPolarHBondContact CA-O 3.37Å; S202-H220 VanDerWaalsContact CB-O 3.22Å; S202-H220 WeakPolarHBondContact CB-O 3.46Å; S202-H220 PolarHBondContact OG-N 3Å; S202-H220 PolarHBondContact OG-O 3.18Å; D203-H220 PolarHBondContact N-O 2.89Å; W211-H220 HydrophobicContact CE3-CB 3.72Å; W211-H220 HydrophobicContact CZ3-CB 4.04Å; G212-H220 WeakPolarHBondContact O-CA 3.46Å
221T98.1Very high96.5Very high15 Ų1549.4 Ų49.49%0.09227%0.266CS..EExtended strand (participates in β ladder)trans-98150.4156.663.30000110.3D203 W211 G212D203-T221 CarbonylContact O-C 3.43Å; D203-T221 WeakPolarHBondContact O-CA 3.33Å; W211-T221 CarbonylContact C-O 3.55Å; W211-T221 WeakPolarHBondContact CA-O 3.4Å; G212-T221 VanDerWaalsContact CA-OG1 3.31Å; G212-T221 WeakPolarHBondContact CA-OG1 3.46Å; G212-T221 PolarHBondContact N-O 3.4Å; G212-T221 PolarHBondContact O-N 3.4Å
222F98.6Very high96.5Very high1 Ų153.9 Ų53.90%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-138.2144.5176.855.4-90000113.4L171 D203 P204 N205 G210 W211 V226 V227 L258L171-F222 HydrophobicContact CB-CD1 4.27Å; L171-F222 HydrophobicContact CB-CE1 4.26Å; L171-F222 HydrophobicContact CB-CG 4.5Å; L171-F222 HydrophobicContact CB-CZ 4.46Å; L171-F222 HydrophobicContact CD1-CD2 4.21Å; L171-F222 HydrophobicContact CD1-CE2 4.13Å; L171-F222 HydrophobicContact CG-CE2 4.31Å; L171-F222 HydrophobicContact CG-CZ 4.28Å; L171-F222 VanDerWaalsContact N-CE1 3.34Å; D203-F222 WeakPolarHBondContact O-CD1 3.22Å; D203-F222 WeakPolarHBondContact O-CE1 3.32Å; D203-F222 PolarHBondContact O-N 2.91Å; P204-F222 CarbonylContact C-O 3.5Å; P204-F222 WeakPolarHBondContact CA-O 3.41Å; P204-F222 HydrophobicContact CB-CE2 3.93Å; P204-F222 HydrophobicContact CB-CZ 4.14Å; N205-F222 PolarHBondContact N-O 3.24Å; G210-F222 CarbonylContact O-C 3.48Å; G210-F222 WeakPolarHBondContact O-CA 3.31Å; W211-F222 HydrophobicContact CD2-CB 4.39Å; W211-F222 HydrophobicContact CE3-CB 3.78Å; W211-F222 HydrophobicContact CH2-CB 4.27Å; W211-F222 HydrophobicContact CZ3-CB 3.72Å; W211-F222 HydrophobicContact CZ3-CD1 4.03Å; W211-F222 HydrophobicContact CZ3-CG 4.2Å; F222-V226 HydrophobicContact CB-CB 3.96Å; F222-V226 HydrophobicContact CB-CG1 3.9Å; F222-V226 HydrophobicContact CB-CG2 4.1Å; F222-V226 HydrophobicContact CG-CG1 4.45Å; F222-V227 HydrophobicContact CD2-CG2 3.78Å; F222-V227 HydrophobicContact CE2-CG2 3.63Å; F222-L258 HydrophobicContact CE2-CD1 3.81Å; F222-L258 HydrophobicContact CZ-CD1 4.05Å
223G98.4Very high96.6Very high0 Ų057 Ų570%029%0.291CS..  trans-81.8173.1-179.300000114.9K208 G210 D225 V226 V227K208-G223 WeakPolarHBondContact O-CA 3.45Å; G210-G223 PolarHBondContact O-N 2.93Å; G223-D225 VanDerWaalsContact C-N 3.26Å; G223-D225 PolarHBondContact O-N 3.36Å; G223-V226 WeakPolarHBondContact O-CB 3.36Å; G223-V226 PolarHBondContact O-N 3.27Å; G223-V227 PolarHBondContact O-N 2.98Å
224P98.4Very high96.7Very high29 Ų2951.6 Ų51.619%0.18826%0.258CS..Hα-helixtrans-59.2-35.5175.5-24.234.7000113.9K208 V226 V227 H228 F253 A254K208-P224 WeakPolarHBondContact O-CD 3.47Å; P224-V226 VanDerWaalsContact C-N 3.34Å; P224-V226 PolarHBondContact O-N 3.34Å; P224-V227 WeakPolarHBondContact O-CB 3.16Å; P224-V227 PolarHBondContact O-N 3.31Å; P224-H228 PolarHBondContact O-CD2 3.05Å; P224-H228 PolarHBondContact O-N 3.17Å; P224-F253 HydrophobicContact CB-CE1 4.29Å; P224-F253 HydrophobicContact CB-CZ 4.28Å; P224-F253 HydrophobicContact CG-CE1 4.16Å; P224-F253 HydrophobicContact CG-CE2 4.18Å; P224-F253 HydrophobicContact CG-CZ 3.64Å; P224-A254 HydrophobicContact CB-CB 3.87Å
225D98.3Very high96.9Very high66 Ų6656.2 Ų56.235%0.35328%0.282SS..Hα-helixtrans-61.6-39.9177.260.7-41.2000112.4N209 G210 G223 H228 E229N209-D225 VanDerWaalsContact CA-OD1 3.3Å; N209-D225 WeakPolarHBondContact CA-OD1 3.21Å; G210-D225 VanDerWaalsContact N-CG 3.28Å; G210-D225 PolarHBondContact N-OD1 3.08Å; G210-D225 PolarHBondContact N-OD2 3.25Å; G223-D225 VanDerWaalsContact C-N 3.26Å; G223-D225 PolarHBondContact O-N 3.36Å; D225-H228 PolarHBondContact O-N 3Å; D225-E229 PolarHBondContact O-N 2.85Å
226V98.5Very high97.1Very high3 Ų346.2 Ų46.22%0.01824%0.238CC..Hα-helixtrans-61.5-45173.6179.40000110.3L171 W211 F222 G223 P224 H228 E229 F230L171-V226 HydrophobicContact CD1-CG1 4.1Å; W211-V226 HydrophobicContact CD2-CG1 4.5Å; W211-V226 HydrophobicContact CH2-CG1 3.82Å; W211-V226 HydrophobicContact CZ2-CG1 3.38Å; F222-V226 HydrophobicContact CB-CB 3.96Å; F222-V226 HydrophobicContact CB-CG1 3.9Å; F222-V226 HydrophobicContact CB-CG2 4.1Å; F222-V226 HydrophobicContact CG-CG1 4.45Å; G223-V226 WeakPolarHBondContact O-CB 3.36Å; G223-V226 PolarHBondContact O-N 3.27Å; P224-V226 VanDerWaalsContact C-N 3.34Å; P224-V226 PolarHBondContact O-N 3.34Å; V226-H228 PolarHBondContact O-N 2.97Å; V226-E229 PolarHBondContact O-N 3.49Å; V226-F230 HydrophobicContact CG1-CD2 3.69Å; V226-F230 HydrophobicContact CG1-CE2 3.75Å; V226-F230 WeakPolarHBondContact O-CD2 3.5Å; V226-F230 PolarHBondContact O-N 2.81Å
227V98.7Very high97.4Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-59.8-46.6178.2174.50000111.3L171 F222 G223 P224 E229 F230 C231 I239 F253 A254 K257 L258L171-V227 HydrophobicContact CD1-CG2 4.28Å; F222-V227 HydrophobicContact CD2-CG2 3.78Å; F222-V227 HydrophobicContact CE2-CG2 3.63Å; G223-V227 PolarHBondContact O-N 2.98Å; P224-V227 WeakPolarHBondContact O-CB 3.16Å; P224-V227 PolarHBondContact O-N 3.31Å; V227-E229 VanDerWaalsContact C-N 3.35Å; V227-E229 PolarHBondContact O-N 3.1Å; V227-F230 PolarHBondContact O-N 3.34Å; V227-C231 PolarHBondContact O-N 3.01Å; V227-C231 PolarHBondContact O-SG 3.11Å; V227-C231 VanDerWaalsContact O-SG 3.37Å; V227-I239 HydrophobicContact CG1-CD1 4.28Å; V227-F253 HydrophobicContact CG2-CD1 3.91Å; V227-F253 HydrophobicContact CG2-CE1 3.7Å; V227-A254 HydrophobicContact CB-CB 3.67Å; V227-A254 HydrophobicContact CG1-CB 3.69Å; V227-A254 HydrophobicContact CG2-CB 4.21Å; V227-K257 HydrophobicContact CG1-CB 3.78Å; V227-L258 HydrophobicContact CG1-CB 3.93Å; V227-L258 HydrophobicContact CG2-CB 4.39Å; V227-L258 HydrophobicContact CG2-CD1 4Å
228H98.4Very high97.7Very high91 Ų9142.1 Ų42.142%0.42121%0.205SC..Hα-helixtrans-61.8-41.1176.9-71-60.8000112.7P224 D225 V226 R232 A254P224-H228 PolarHBondContact O-CD2 3.05Å; P224-H228 PolarHBondContact O-N 3.17Å; D225-H228 PolarHBondContact O-N 3Å; V226-H228 PolarHBondContact O-N 2.97Å; H228-R232 PolarHBondContact O-N 3.01Å; H228-A254 PolarHBondContact CE1-O 3.13Å; H228-A254 PolarHBondContact NE2-O 2.92Å
229E98.2Very high98Very high84 Ų8440.3 Ų40.339%0.39320%0.196SC..Hα-helixtrans-59.3-48.4175.3-173.8-169154.700111D225 V226 V227 R232 K233D225-E229 PolarHBondContact O-N 2.85Å; V226-E229 PolarHBondContact O-N 3.49Å; V227-E229 VanDerWaalsContact C-N 3.35Å; V227-E229 PolarHBondContact O-N 3.1Å; E229-R232 PolarHBondContact O-N 3.43Å; E229-K233 WeakPolarHBondContact O-CB 3.28Å; E229-K233 PolarHBondContact O-N 3.17Å
230F98.5Very high98.2Very high3 Ų339.7 Ų39.71%0.01319%0.189CC..Hα-helixtrans-66.9-40.8-177.5-88.5-103.1000112.9L171 S172 L175 W211 V226 V227 R232 K233 L234L171-F230 HydrophobicContact CD1-CB 3.82Å; L171-F230 HydrophobicContact CD1-CD1 4.17Å; L171-F230 HydrophobicContact CD1-CD2 4.06Å; L171-F230 HydrophobicContact CD1-CG 3.72Å; L171-F230 HydrophobicContact CD2-CB 4.41Å; L171-F230 HydrophobicContact CD2-CD1 3.84Å; L171-F230 HydrophobicContact CD2-CE1 4.44Å; L171-F230 HydrophobicContact CD2-CG 4.21Å; L171-F230 HydrophobicContact CG-CD1 4.43Å; L171-F230 HydrophobicContact CG-CG 4.46Å; S172-F230 VanDerWaalsContact O-CZ 3.26Å; S172-F230 WeakPolarHBondContact O-CZ 3.3Å; L175-F230 HydrophobicContact CB-CE1 3.65Å; L175-F230 HydrophobicContact CB-CZ 4.34Å; L175-F230 HydrophobicContact CD2-CD1 4.06Å; L175-F230 HydrophobicContact CD2-CE1 3.84Å; L175-F230 HydrophobicContact CG-CD1 4.33Å; L175-F230 HydrophobicContact CG-CE1 3.75Å; L175-F230 WeakPolarHBondContact O-CE1 3.45Å; L175-F230 WeakPolarHBondContact O-CZ 3.39Å; W211-F230 HydrophobicContact CH2-CE2 4.44Å; W211-F230 HydrophobicContact CH2-CZ 4.44Å; W211-F230 AromaticContact CZ2-CE2 3.71Å; W211-F230 HydrophobicContact CZ2-CE2 3.71Å; W211-F230 AromaticContact CZ2-CZ 3.93Å; W211-F230 HydrophobicContact CZ2-CZ 3.93Å; V226-F230 HydrophobicContact CG1-CD2 3.69Å; V226-F230 HydrophobicContact CG1-CE2 3.75Å; V226-F230 WeakPolarHBondContact O-CD2 3.5Å; V226-F230 PolarHBondContact O-N 2.81Å; V227-F230 PolarHBondContact O-N 3.34Å; F230-R232 VanDerWaalsContact C-N 3.29Å; F230-R232 PolarHBondContact O-N 2.71Å; F230-K233 PolarHBondContact O-N 2.97Å; F230-L234 HydrophobicContact CD1-CD1 3.94Å; F230-L234 HydrophobicContact CD1-CG 4.45Å; F230-L234 WeakPolarHBondContact O-CB 3.49Å; F230-L234 WeakPolarHBondContact O-CG 3.47Å; F230-L234 PolarHBondContact O-N 2.97Å
231C98.4Very high98.4Very high8 Ų837 Ų375%0.05418%0.177CC..Hα-helixtrans-57.7-43.5173.6-71.30000111.9V227 D235 I236V227-C231 PolarHBondContact O-N 3.01Å; V227-C231 PolarHBondContact O-SG 3.11Å; V227-C231 VanDerWaalsContact O-SG 3.37Å; C231-D235 WeakPolarHBondContact O-CA 3.21Å; C231-D235 PolarHBondContact O-N 2.75Å; C231-I236 HydrophobicContact CB-CG1 4.38Å; C231-I236 WeakPolarHBondContact CB-O 3.39Å; C231-I236 PolarHBondContact O-N 2.93Å
232R97.8Very high98.4Very high182 Ų18236.2 Ų36.269%0.68717%0.172SC*.Hα-helixtrans-69-43.2176.4-177.1-174.559733.8112.1H228 E229 F230H228-R232 PolarHBondContact O-N 3.01Å; E229-R232 PolarHBondContact O-N 3.43Å; F230-R232 VanDerWaalsContact C-N 3.29Å; F230-R232 PolarHBondContact O-N 2.71Å
233K97.6Very high98.4Very high81 Ų8136.8 Ų36.835%0.35218%0.175SC..Hα-helixtrans-69.3-41.1-173.7-174.5-178.1-170179.40112.4T176 E229 F230 D235T176-K233 WeakPolarHBondContact O-CE 3.42Å; E229-K233 WeakPolarHBondContact O-CB 3.28Å; E229-K233 PolarHBondContact O-N 3.17Å; F230-K233 PolarHBondContact O-N 2.97Å; K233-D235 VanDerWaalsContact C-N 3.35Å
234L98Very high98.3Very high18 Ų1839.1 Ų39.19%0.09419%0.186CC..THydrogen-bonded Turntrans-91.91.3-179.8-55.5178.6000112.8L175 M178 F230 I236L175-L234 HydrophobicContact CD2-CD1 3.87Å; L175-L234 HydrophobicContact CG-CD1 4.26Å; M178-L234 HydrophobicContact CG-CB 4.4Å; M178-L234 HydrophobicContact CG-CD2 4.27Å; M178-L234 HydrophobicContact SD-CD1 4.01Å; F230-L234 HydrophobicContact CD1-CD1 3.94Å; F230-L234 HydrophobicContact CD1-CG 4.45Å; F230-L234 WeakPolarHBondContact O-CB 3.49Å; F230-L234 WeakPolarHBondContact O-CG 3.47Å; F230-L234 PolarHBondContact O-N 2.97Å; L234-I236 HydrophobicContact CB-CD1 4.39Å; L234-I236 HydrophobicContact CB-CG1 4.28Å; L234-I236 HydrophobicContact CB-CG2 4.42Å; L234-I236 HydrophobicContact CD1-CD1 4.47Å; L234-I236 PolarHBondContact O-N 3.15Å
235D97.8Very high98.3Very high106 Ų10640 Ų4057%0.56719%0.19SC*.THydrogen-bonded Turntrans50.753.4-176-170.726.6000113.3R163 C231 K233R163-D235 IonicContact CZ-OD1 3.41Å; R163-D235 PolarHBondContact NH1-O 2.94Å; R163-D235 IonicContact NH1-OD1 2.64Å; R163-D235 PolarHBondContact NH1-OD1 2.85Å; R163-D235 IonicContact NH1-OD2 3.47Å; R163-D235 PolarHBondContact NH1-OD2 2.9Å; R163-D235 IonicContact NH2-OD1 3.24Å; C231-D235 WeakPolarHBondContact O-CA 3.21Å; C231-D235 PolarHBondContact O-N 2.75Å; K233-D235 VanDerWaalsContact C-N 3.35Å
236I98.4Very high98.2Very high5 Ų537.4 Ų37.43%0.02618%0.177CC..  trans-122.3154177.860.9175000111.2L159 R163 F165 C231 L234 I239L159-I236 HydrophobicContact CD1-CG2 4.15Å; R163-I236 CarbonylContact O-C 3.39Å; R163-I236 WeakPolarHBondContact O-CA 3.39Å; R163-I236 WeakPolarHBondContact O-CB 3.49Å; F165-I236 HydrophobicContact CB-CD1 3.49Å; F165-I236 VanDerWaalsContact CB-CD1 3.49Å; F165-I236 HydrophobicContact CD1-CD1 4.47Å; F165-I236 HydrophobicContact CG-CD1 4.36Å; C231-I236 HydrophobicContact CB-CG1 4.38Å; C231-I236 WeakPolarHBondContact CB-O 3.39Å; C231-I236 PolarHBondContact O-N 2.93Å; L234-I236 HydrophobicContact CB-CD1 4.39Å; L234-I236 HydrophobicContact CB-CG1 4.28Å; L234-I236 HydrophobicContact CB-CG2 4.42Å; L234-I236 HydrophobicContact CD1-CD1 4.47Å; L234-I236 PolarHBondContact O-N 3.15Å; I236-I239 HydrophobicContact CD1-CD1 4.31Å; I236-I239 HydrophobicContact CD1-CG1 3.7Å
237D98.3Very high98.1Very high66 Ų6643 Ų4335%0.35321%0.207SC..SBendtrans-91.9-31.5-177.4-65-46.7000113.2R163 K257R163-D237 IonicContact CZ-OD1 3.2Å; R163-D237 IonicContact CZ-OD2 3.14Å; R163-D237 IonicContact NE-OD1 3.38Å; R163-D237 IonicContact NE-OD2 3.51Å; R163-D237 PolarHBondContact NE-OD2 2.87Å; R163-D237 VanDerWaalsContact NH2-CG 3.29Å; R163-D237 IonicContact NH2-OD1 3.52Å; R163-D237 PolarHBondContact NH2-OD1 2.85Å; R163-D237 IonicContact NH2-OD2 3.03Å; R163-D237 PolarHBondContact NH2-OD2 3.41Å; R163-D237 PolarHBondContact O-N 3.21Å; D237-K257 WeakPolarHBondContact O-CD 3.46Å; D237-K257 PolarHBondContact O-NZ 2.83Å
238L98.7Very high98Very high17 Ų1750.7 Ų50.79%0.08924%0.237CC..EExtended strand (participates in β ladder)trans-150.5146.4-172.8177.865.9000110.6I164 F165 I240 D256 L259I164-L238 WeakPolarHBondContact CA-O 3.45Å; I164-L238 HydrophobicContact CG1-CB 4.23Å; I164-L238 HydrophobicContact CG2-CB 4.15Å; I164-L238 HydrophobicContact CG2-CD2 4.16Å; I164-L238 HydrophobicContact CG2-CG 4.19Å; F165-L238 PolarHBondContact N-O 3.28Å; L238-I240 HydrophobicContact CD2-CD1 4.01Å; L238-I240 HydrophobicContact CD2-CG1 3.73Å; L238-I240 HydrophobicContact CG-CG1 4Å; L238-D256 WeakPolarHBondContact CD1-O 3.46Å; L238-L259 HydrophobicContact CD1-CB 4.13Å
239I98.9Very high98Very high1 Ų146.4 Ų46.41%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-107.9128.6163.9-64.3158.3000108.3F165 L167 L171 V227 I236 K257 L258 L259F165-I239 HydrophobicContact CB-CG1 4.38Å; F165-I239 HydrophobicContact CD1-CG1 4.41Å; F165-I239 CarbonylContact O-C 3.55Å; F165-I239 VanDerWaalsContact O-CA 3.26Å; F165-I239 WeakPolarHBondContact O-CA 3.32Å; L167-I239 HydrophobicContact CD2-CG2 3.74Å; L171-I239 HydrophobicContact CD1-CD1 4.01Å; L171-I239 HydrophobicContact CD2-CD1 3.88Å; L171-I239 HydrophobicContact CG-CD1 4.31Å; V227-I239 HydrophobicContact CG1-CD1 4.28Å; I236-I239 HydrophobicContact CD1-CD1 4.31Å; I236-I239 HydrophobicContact CD1-CG1 3.7Å; I239-K257 PolarHBondContact N-O 2.76Å; I239-L258 HydrophobicContact CB-CB 4.4Å; I239-L258 HydrophobicContact CB-CD1 4.36Å; I239-L258 HydrophobicContact CB-CG 4.27Å; I239-L258 HydrophobicContact CG2-CD1 4.09Å; I239-L258 HydrophobicContact CG2-CG 4.25Å; I239-L258 CarbonylContact O-C 3.48Å; I239-L258 VanDerWaalsContact O-CA 3.29Å; I239-L258 WeakPolarHBondContact O-CA 3.44Å; I239-L259 PolarHBondContact O-N 3.29Å
240I98.9Very high98Very high0 Ų044.8 Ų44.80%021%0.209CC..EExtended strand (participates in β ladder)trans-110126.8170.4-55.2175.6000108.3V56 L85 I164 F165 C166 L167 L238 L259 V261 V278 V280V56-I240 HydrophobicContact CB-CG2 4.49Å; V56-I240 HydrophobicContact CG1-CG2 3.91Å; V56-I240 HydrophobicContact CG2-CD1 4.21Å; L85-I240 HydrophobicContact CD1-CG2 4.08Å; I164-I240 HydrophobicContact CG2-CD1 3.59Å; I164-I240 HydrophobicContact CG2-CG1 3.65Å; F165-I240 PolarHBondContact O-N 3.43Å; C166-I240 VanDerWaalsContact CA-O 3.29Å; C166-I240 WeakPolarHBondContact CA-O 3.47Å; L167-I240 PolarHBondContact N-O 2.7Å; L238-I240 HydrophobicContact CD2-CD1 4.01Å; L238-I240 HydrophobicContact CD2-CG1 3.73Å; L238-I240 HydrophobicContact CG-CG1 4Å; I240-L259 CarbonylContact C-O 3.6Å; I240-L259 VanDerWaalsContact CA-O 3.31Å; I240-L259 WeakPolarHBondContact CA-O 3.46Å; I240-L259 HydrophobicContact CG1-CB 4.44Å; I240-L259 HydrophobicContact CG1-CD2 4.5Å; I240-V261 HydrophobicContact CG2-CG1 3.91Å; I240-V278 HydrophobicContact CD1-CB 4.49Å; I240-V278 HydrophobicContact CD1-CG1 4.03Å; I240-V278 HydrophobicContact CG2-CG2 4.28Å; I240-V280 HydrophobicContact CD1-CG2 4.19Å
241R98.9Very high98Very high0 Ų048.5 Ų48.50%023%0.226CC..EExtended strand (participates in β ladder)trans-137.1167.8-177.773.184.351.4150.21.7113.5L167 H168 G169 S202 D203 H243 Q244 L258 L259 T260 V261L167-R241 HydrophobicContact CD2-CB 4.23Å; L167-R241 VanDerWaalsContact O-CA 3.25Å; L167-R241 WeakPolarHBondContact O-CA 3.14Å; H168-R241 PolarHBondContact O-NE 3.39Å; G169-R241 WeakPolarHBondContact O-CB 3.25Å; G169-R241 PolarHBondContact O-NE 2.98Å; G169-R241 PolarHBondContact O-NH2 3.27Å; S202-R241 PolarHBondContact O-NH2 3.04Å; D203-R241 IonicContact OD1-CZ 3.71Å; D203-R241 IonicContact OD1-NH1 3.58Å; D203-R241 PolarHBondContact OD1-NH1 2.97Å; D203-R241 IonicContact OD1-NH2 3.84Å; D203-R241 PolarHBondContact OD1-NH2 3.23Å; R241-H243 PolarHBondContact NH2-CD2 2.98Å; R241-Q244 VanDerWaalsContact NH1-CD 3.26Å; R241-Q244 VanDerWaalsContact NH1-CG 3.27Å; R241-L258 HydrophobicContact CG-CD1 4.32Å; R241-L258 HydrophobicContact CG-CD2 3.9Å; R241-L258 HydrophobicContact CG-CG 4.23Å; R241-L259 PolarHBondContact N-O 3.21Å; R241-T260 WeakPolarHBondContact CD-OG1 3.39Å; R241-T260 CarbonylContact O-C 3.42Å; R241-T260 VanDerWaalsContact O-CA 3.27Å; R241-T260 WeakPolarHBondContact O-CA 3.19Å; R241-V261 PolarHBondContact O-N 3.38Å
242A98.8Very high98Very high0 Ų051.6 Ų51.60%024%0.239CC..  trans-121.3-135.7-176.100000111.7D59 L85 H168 Q244 V261D59-A242 VanDerWaalsContact OD2-CB 3.25Å; D59-A242 WeakPolarHBondContact OD2-CB 3.16Å; L85-A242 HydrophobicContact CB-CB 3.79Å; L85-A242 HydrophobicContact CD1-CB 4.01Å; H168-A242 CarbonylContact O-C 3.23Å; H168-A242 PolarHBondContact O-N 3.48Å; A242-Q244 PolarHBondContact O-N 2.71Å; A242-V261 WeakPolarHBondContact CA-O 3.46Å
243H98.2Very high98Very high12 Ų1243.3 Ų43.36%0.05621%0.208CC..SBendtrans68.3-22.4162.3-170.660.9000117.9D59 D87 N119 H168 D203 R216 R241D59-H243 WeakPolarHBondContact OD1-CA 3.48Å; D59-H243 PolarHBondContact OD1-N 2.97Å; D59-H243 PolarHBondContact OD2-N 3.3Å; D87-H243 IonicContact OD2-ND1 3.81Å; N119-H243 VanDerWaalsContact CG-CE1 3.47Å; N119-H243 PolarHBondContact OD1-CE1 2.93Å; N119-H243 PolarHBondContact OD1-ND1 3.14Å; H168-H243 AromaticContact CD2-ND1 3.75Å; H168-H243 AromaticContact NE2-CG 3.7Å; H168-H243 AromaticContact NE2-ND1 3.19Å; H168-H243 PolarHBondContact NE2-ND1 3.45Å; H168-H243 VanDerWaalsContact NE2-ND1 3.19Å; H168-H243 WeakPolarHBondContact O-CB 3.48Å; D203-H243 IonicContact OD1-CD2 2.7Å; D203-H243 PolarHBondContact OD1-CD2 3.32Å; R216-H243 WeakPolarHBondContact CD-NE2 3.2Å; R216-H243 PolarHBondContact NE-NE2 3.27Å; R216-H243 VanDerWaalsContact NE-NE2 3.11Å; R216-H243 PolarHBondContact NH1-CE1 3.08Å; R216-H243 PolarHBondContact NH1-NE2 2.72Å; R216-H243 VanDerWaalsContact NH1-NE2 3.15Å; R216-H243 PolarHBondContact NH2-CD2 3.38Å; R216-H243 PolarHBondContact NH2-NE2 3.46Å; R216-H243 PolarHBondContact NH2-O 3.28Å; R241-H243 PolarHBondContact NH2-CD2 2.98Å
244Q97.9Very high98Very high49 Ų4939.7 Ų39.723%0.22919%0.193CC..SBendtrans-110.4120.4172.4-80177.3-44.700109.3D203 P204 R241 A242 V246 T260D203-Q244 VanDerWaalsContact OD1-CD 3.27Å; D203-Q244 VanDerWaalsContact OD1-CG 3.27Å; D203-Q244 WeakPolarHBondContact OD1-CG 3.46Å; P204-Q244 VanDerWaalsContact CD-OE1 3.26Å; R241-Q244 VanDerWaalsContact NH1-CD 3.26Å; R241-Q244 VanDerWaalsContact NH1-CG 3.27Å; A242-Q244 PolarHBondContact O-N 2.71Å; Q244-V246 PolarHBondContact O-N 2.72Å; Q244-T260 HydrophobicContact CB-CG2 4.21Å
245V97Very high97.9Very high48 Ų4842 Ų4229%0.29122%0.221SC..  trans-60.7131.4168630000109.5F262 Y267 F271 N273V245-F262 HydrophobicContact CB-CD1 4.41Å; V245-F262 HydrophobicContact CB-CD2 4.32Å; V245-F262 HydrophobicContact CB-CE1 4.24Å; V245-F262 HydrophobicContact CB-CE2 4.12Å; V245-F262 HydrophobicContact CB-CG 4.45Å; V245-F262 HydrophobicContact CB-CZ 4.09Å; V245-F262 HydrophobicContact CG2-CD1 4.13Å; V245-F262 HydrophobicContact CG2-CE1 4.04Å; V245-F262 HydrophobicContact CG2-CZ 4.37Å; V245-Y267 HydrophobicContact CB-CD1 4.29Å; V245-Y267 HydrophobicContact CG2-CD1 4.24Å; V245-F271 HydrophobicContact CG1-CD1 4.12Å; V245-F271 HydrophobicContact CG1-CE1 3.61Å; V245-F271 HydrophobicContact CG1-CZ 4.14Å; V245-F271 HydrophobicContact CG2-CD1 3.97Å; V245-F271 HydrophobicContact CG2-CE1 4.3Å; V245-F271 HydrophobicContact CG2-CG 4.43Å; V245-N273 HydrophobicContact CG2-CB 4.14Å
246V97.1Very high97.9Very high11 Ų1141.9 Ų41.97%0.06722%0.221CC..  trans-133.3136.9-178.9-73.60000109Q244 Y248 G249 E251 T260 F262Q244-V246 PolarHBondContact O-N 2.72Å; V246-Y248 VanDerWaalsContact C-N 3.29Å; V246-Y248 PolarHBondContact O-N 3.19Å; V246-Y248 VanDerWaalsContact O-N 3.15Å; V246-G249 VanDerWaalsContact CG2-C 3.5Å; V246-G249 PolarHBondContact O-N 3.37Å; V246-E251 HydrophobicContact CB-CB 4.22Å; V246-E251 HydrophobicContact CG1-CB 3.75Å; V246-T260 HydrophobicContact CG1-CG2 3.89Å; V246-T260 HydrophobicContact CG2-CG2 4.33Å; V246-F262 HydrophobicContact CG2-CB 3.97Å
247D95.8Very high97.9Very high121 Ų12144.8 Ų44.865%0.64723%0.233SC*.THydrogen-bonded Turntrans-56.5-39.2-165.8-67.6-22.8000114N273 A274D247-N273 CarbonylContact O-C 3.51Å; D247-N273 WeakPolarHBondContact O-CA 3.41Å; D247-A274 PolarHBondContact O-N 2.86Å
248Y96.9Very high97.9Very high162 Ų16241.6 Ų41.664%0.63522%0.216SC*.THydrogen-bonded Turntrans-93.76.9-178.3-64.7-72.5000113.4V246 F250 Q290V246-Y248 VanDerWaalsContact C-N 3.29Å; V246-Y248 PolarHBondContact O-N 3.19Å; V246-Y248 VanDerWaalsContact O-N 3.15Å; Y248-F250 WeakPolarHBondContact O-CD1 3.42Å; Y248-F250 PolarHBondContact O-N 3.5Å; Y248-Q290 PolarHBondContact O-NE2 3.05Å
249G97.8Very high97.9Very high0 Ų040.8 Ų40.80%021%0.212CC..SBendtrans75.8-2.2-171.900000113.8V246 V261 F262 A274V246-G249 VanDerWaalsContact CG2-C 3.5Å; V246-G249 PolarHBondContact O-N 3.37Å; G249-V261 WeakPolarHBondContact O-CA 3.45Å; G249-F262 PolarHBondContact O-N 3.03Å; G249-A274 WeakPolarHBondContact CA-O 3.36Å; G249-A274 PolarHBondContact N-O 3.48Å
250F98.4Very high97.9Very high51 Ų5140.8 Ų40.822%0.22421%0.212CC..EExtended strand (participates in β ladder)trans-150.7156.2170.975.3-79.3000111.9Y248 F252 L259 T260 I288 Q290Y248-F250 WeakPolarHBondContact O-CD1 3.42Å; Y248-F250 PolarHBondContact O-N 3.5Å; F250-F252 HydrophobicContact CD2-CD2 4.25Å; F250-F252 HydrophobicContact CD2-CE2 4.04Å; F250-F252 HydrophobicContact CE2-CD2 4.08Å; F250-F252 AromaticContact CE2-CE2 3.79Å; F250-F252 HydrophobicContact CE2-CE2 3.79Å; F250-L259 HydrophobicContact CB-CD1 4.07Å; F250-L259 HydrophobicContact CD2-CD1 4.08Å; F250-T260 CarbonylContact C-O 3.54Å; F250-T260 WeakPolarHBondContact CA-O 3.48Å; F250-I288 HydrophobicContact CB-CG2 4.26Å; F250-I288 HydrophobicContact CD1-CB 4.31Å; F250-I288 HydrophobicContact CD1-CG1 4.29Å; F250-I288 HydrophobicContact CD1-CG2 3.62Å; F250-I288 HydrophobicContact CD2-CG1 4.03Å; F250-I288 HydrophobicContact CE1-CB 4.44Å; F250-I288 HydrophobicContact CE1-CG2 4.13Å; F250-I288 HydrophobicContact CE2-CG1 4.28Å; F250-I288 HydrophobicContact CG-CD1 4.46Å; F250-I288 HydrophobicContact CG-CG1 4.03Å; F250-I288 HydrophobicContact CG-CG2 3.97Å; F250-I288 HydrophobicContact CZ-CG1 4.5Å; F250-Q290 HydrophobicContact CD1-CG 4.5Å; F250-Q290 HydrophobicContact CE1-CG 4.42Å
251E98.2Very high97.9Very high80 Ų8040.8 Ų40.837%0.37421%0.212SC..EExtended strand (participates in β ladder)trans-149134.7170.5-170.8-173.8-168.700111.4R206 V246 T260R206-E251 IonicContact CZ-OE1 3.68Å; R206-E251 IonicContact NH2-OE1 3.8Å; R206-E251 PolarHBondContact NH2-OE1 3.01Å; V246-E251 HydrophobicContact CB-CB 4.22Å; V246-E251 HydrophobicContact CG1-CB 3.75Å; E251-T260 PolarHBondContact N-O 3.41Å; E251-T260 PolarHBondContact O-N 3.27Å
252F98.1Very high97.9Very high74 Ų7440.9 Ų40.933%0.32521%0.212SC..EExtended strand (participates in β ladder)trans-88.5142.8170.9-70.1-77.8000112.7R206 F250 D256 L259R206-F252 PolarHBondContact NH2-O 3.27Å; F250-F252 HydrophobicContact CD2-CD2 4.25Å; F250-F252 HydrophobicContact CD2-CE2 4.04Å; F250-F252 HydrophobicContact CE2-CD2 4.08Å; F250-F252 AromaticContact CE2-CE2 3.79Å; F250-F252 HydrophobicContact CE2-CE2 3.79Å; F252-D256 VanDerWaalsContact CB-OD1 3.28Å; F252-D256 WeakPolarHBondContact CB-OD1 3.21Å; F252-D256 HydrophobicContact CD1-CB 3.85Å; F252-D256 HydrophobicContact CE1-CB 4.34Å; F252-D256 HydrophobicContact CG-CB 4.42Å; F252-L259 HydrophobicContact CD1-CB 4.34Å; F252-L259 HydrophobicContact CD1-CD1 3.97Å; F252-L259 HydrophobicContact CE1-CB 4.31Å; F252-L259 HydrophobicContact CE1-CD1 3.84Å; F252-L259 HydrophobicContact CE1-CD2 4.33Å; F252-L259 HydrophobicContact CE1-CG 4.4Å; F252-L259 HydrophobicContact CE2-CD1 4.4Å; F252-L259 HydrophobicContact CG-CD1 4.31Å; F252-L259 HydrophobicContact CZ-CD1 4.07Å
253F98.1Very high97.9Very high7 Ų741 Ų413%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-137.2155.8-179.2-177.3-96.1000111P204 R206 P224 V227 G255 D256 K257 L258P204-F253 HydrophobicContact CB-CD1 3.97Å; P204-F253 HydrophobicContact CB-CD2 4.07Å; P204-F253 HydrophobicContact CB-CE1 3.85Å; P204-F253 HydrophobicContact CB-CE2 3.94Å; P204-F253 HydrophobicContact CB-CG 4.07Å; P204-F253 HydrophobicContact CB-CZ 3.83Å; R206-F253 HydrophobicContact CB-CE2 3.93Å; R206-F253 HydrophobicContact CG-CE2 4.37Å; P224-F253 HydrophobicContact CB-CE1 4.29Å; P224-F253 HydrophobicContact CB-CZ 4.28Å; P224-F253 HydrophobicContact CG-CE1 4.16Å; P224-F253 HydrophobicContact CG-CE2 4.18Å; P224-F253 HydrophobicContact CG-CZ 3.64Å; V227-F253 HydrophobicContact CG2-CD1 3.91Å; V227-F253 HydrophobicContact CG2-CE1 3.7Å; F253-G255 PolarHBondContact O-N 2.97Å; F253-D256 PolarHBondContact O-N 3.29Å; F253-K257 PolarHBondContact O-N 3.01Å; F253-L258 HydrophobicContact CB-CB 4.2Å; F253-L258 HydrophobicContact CB-CD2 3.86Å; F253-L258 HydrophobicContact CD1-CB 4.22Å; F253-L258 HydrophobicContact CD1-CD2 4.47Å; F253-L258 HydrophobicContact CG-CD2 4.47Å; F253-L258 PolarHBondContact N-O 3.47Å; F253-L258 PolarHBondContact O-N 3.29Å; F253-L258 VanDerWaalsContact O-N 3.13Å
254A97.8Very high97.8Very high6 Ų640.4 Ų40.45%0.0521%0.211CC..THydrogen-bonded Turntrans5149.8177.100000114.6P224 V227 H228 K257P224-A254 HydrophobicContact CB-CB 3.87Å; V227-A254 HydrophobicContact CB-CB 3.67Å; V227-A254 HydrophobicContact CG1-CB 3.69Å; V227-A254 HydrophobicContact CG2-CB 4.21Å; H228-A254 PolarHBondContact CE1-O 3.13Å; H228-A254 PolarHBondContact NE2-O 2.92Å; A254-K257 HydrophobicContact CB-CB 4.48Å; A254-K257 WeakPolarHBondContact O-CB 3.29Å; A254-K257 PolarHBondContact O-N 3.47Å
255G96Very high97.6Very high66 Ų6638.1 Ų38.168%0.6820%0.2SC*.THydrogen-bonded Turntrans60.848.8-179.100000112.3F253 K257F253-G255 PolarHBondContact O-N 2.97Å; G255-K257 PolarHBondContact O-N 2.72Å
256D97.2Very high97.5Very high104 Ų10436.9 Ų36.956%0.55619%0.191SC*.THydrogen-bonded Turntrans62.217.8179.3-49.2-20.2000115.1L238 F252 F253L238-D256 WeakPolarHBondContact CD1-O 3.46Å; F252-D256 VanDerWaalsContact CB-OD1 3.28Å; F252-D256 WeakPolarHBondContact CB-OD1 3.21Å; F252-D256 HydrophobicContact CD1-CB 3.85Å; F252-D256 HydrophobicContact CE1-CB 4.34Å; F252-D256 HydrophobicContact CG-CB 4.42Å; F253-D256 PolarHBondContact O-N 3.29Å
257K98.3Very high97.2Very high65 Ų6537 Ų3728%0.28319%0.191SC..THydrogen-bonded Turntrans-85.8-14175-71.7-65.4-173.3179.50114.2V227 D237 I239 F253 A254 G255V227-K257 HydrophobicContact CG1-CB 3.78Å; D237-K257 WeakPolarHBondContact O-CD 3.46Å; D237-K257 PolarHBondContact O-NZ 2.83Å; I239-K257 PolarHBondContact N-O 2.76Å; F253-K257 PolarHBondContact O-N 3.01Å; A254-K257 HydrophobicContact CB-CB 4.48Å; A254-K257 WeakPolarHBondContact O-CB 3.29Å; A254-K257 PolarHBondContact O-N 3.47Å; G255-K257 PolarHBondContact O-N 2.72Å
258L98.8Very high96.7Very high0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-131.5135.1168.8-178.7153.2000109.6P204 F222 V227 I239 R241 F253P204-L258 HydrophobicContact CG-CD2 4.39Å; F222-L258 HydrophobicContact CE2-CD1 3.81Å; F222-L258 HydrophobicContact CZ-CD1 4.05Å; V227-L258 HydrophobicContact CG1-CB 3.93Å; V227-L258 HydrophobicContact CG2-CB 4.39Å; V227-L258 HydrophobicContact CG2-CD1 4Å; I239-L258 HydrophobicContact CB-CB 4.4Å; I239-L258 HydrophobicContact CB-CD1 4.36Å; I239-L258 HydrophobicContact CB-CG 4.27Å; I239-L258 HydrophobicContact CG2-CD1 4.09Å; I239-L258 HydrophobicContact CG2-CG 4.25Å; I239-L258 CarbonylContact O-C 3.48Å; I239-L258 VanDerWaalsContact O-CA 3.29Å; I239-L258 WeakPolarHBondContact O-CA 3.44Å; R241-L258 HydrophobicContact CG-CD1 4.32Å; R241-L258 HydrophobicContact CG-CD2 3.9Å; R241-L258 HydrophobicContact CG-CG 4.23Å; F253-L258 HydrophobicContact CB-CB 4.2Å; F253-L258 HydrophobicContact CB-CD2 3.86Å; F253-L258 HydrophobicContact CD1-CB 4.22Å; F253-L258 HydrophobicContact CD1-CD2 4.47Å; F253-L258 HydrophobicContact CG-CD2 4.47Å; F253-L258 PolarHBondContact N-O 3.47Å; F253-L258 PolarHBondContact O-N 3.29Å; F253-L258 VanDerWaalsContact O-N 3.13Å
259L98.7Very high96Very high0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-121116.3176.7174.460.9000109L238 I239 I240 R241 F250 F252 V278 I288L238-L259 HydrophobicContact CD1-CB 4.13Å; I239-L259 PolarHBondContact O-N 3.29Å; I240-L259 CarbonylContact C-O 3.6Å; I240-L259 VanDerWaalsContact CA-O 3.31Å; I240-L259 WeakPolarHBondContact CA-O 3.46Å; I240-L259 HydrophobicContact CG1-CB 4.44Å; I240-L259 HydrophobicContact CG1-CD2 4.5Å; R241-L259 PolarHBondContact N-O 3.21Å; F250-L259 HydrophobicContact CB-CD1 4.07Å; F250-L259 HydrophobicContact CD2-CD1 4.08Å; F252-L259 HydrophobicContact CD1-CB 4.34Å; F252-L259 HydrophobicContact CD1-CD1 3.97Å; F252-L259 HydrophobicContact CE1-CB 4.31Å; F252-L259 HydrophobicContact CE1-CD1 3.84Å; F252-L259 HydrophobicContact CE1-CD2 4.33Å; F252-L259 HydrophobicContact CE1-CG 4.4Å; F252-L259 HydrophobicContact CE2-CD1 4.4Å; F252-L259 HydrophobicContact CG-CD1 4.31Å; F252-L259 HydrophobicContact CZ-CD1 4.07Å; L259-V278 HydrophobicContact CD2-CB 4.34Å; L259-V278 HydrophobicContact CD2-CG1 3.76Å; L259-V278 HydrophobicContact CD2-CG2 3.61Å; L259-V278 HydrophobicContact CG-CG2 4.37Å; L259-I288 HydrophobicContact CD1-CD1 4.45Å; L259-I288 HydrophobicContact CD2-CD1 3.84Å
260T98.8Very high95.3Very high1 Ų133.6 Ų33.61%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-84.1134.6167.6-57.50000108.6R241 Q244 V246 F250 E251R241-T260 WeakPolarHBondContact CD-OG1 3.39Å; R241-T260 CarbonylContact O-C 3.42Å; R241-T260 VanDerWaalsContact O-CA 3.27Å; R241-T260 WeakPolarHBondContact O-CA 3.19Å; Q244-T260 HydrophobicContact CB-CG2 4.21Å; V246-T260 HydrophobicContact CG1-CG2 3.89Å; V246-T260 HydrophobicContact CG2-CG2 4.33Å; F250-T260 CarbonylContact C-O 3.54Å; F250-T260 WeakPolarHBondContact CA-O 3.48Å; E251-T260 PolarHBondContact N-O 3.41Å; E251-T260 PolarHBondContact O-N 3.27Å
261V98.8Very high94.8Very high0 Ų035 Ų350%021%0.206CC..EExtended strand (participates in β ladder)trans-128.7135.8172.960.80000109.9L85 I240 R241 A242 G249 G276 V278L85-V261 HydrophobicContact CD1-CG1 3.96Å; I240-V261 HydrophobicContact CG2-CG1 3.91Å; R241-V261 PolarHBondContact O-N 3.38Å; A242-V261 WeakPolarHBondContact CA-O 3.46Å; G249-V261 WeakPolarHBondContact O-CA 3.45Å; V261-G276 WeakPolarHBondContact CG2-O 3.36Å; V261-V278 HydrophobicContact CB-CG2 3.87Å; V261-V278 HydrophobicContact CG1-CG2 4.17Å; V261-V278 HydrophobicContact CG2-CG2 3.95Å
262F98.6Very high94.5Very high2 Ų235.4 Ų35.41%0.00922%0.218CC..  trans-130.8125.1177.6-162.8-93.5000108.3D59 V245 V246 G249 A264 Y267 A275 G276D59-F262 HydrophobicContact CB-CD2 3.78Å; D59-F262 HydrophobicContact CB-CE2 3.42Å; D59-F262 VanDerWaalsContact CB-CE2 3.42Å; D59-F262 HydrophobicContact CB-CG 4.49Å; D59-F262 HydrophobicContact CB-CZ 3.84Å; D59-F262 VanDerWaalsContact CG-CD2 3.47Å; D59-F262 WeakPolarHBondContact OD1-CE2 3.34Å; D59-F262 VanDerWaalsContact OD2-CD2 3.26Å; D59-F262 WeakPolarHBondContact OD2-CD2 3.25Å; V245-F262 HydrophobicContact CB-CD1 4.41Å; V245-F262 HydrophobicContact CB-CD2 4.32Å; V245-F262 HydrophobicContact CB-CE1 4.24Å; V245-F262 HydrophobicContact CB-CE2 4.12Å; V245-F262 HydrophobicContact CB-CG 4.45Å; V245-F262 HydrophobicContact CB-CZ 4.09Å; V245-F262 HydrophobicContact CG2-CD1 4.13Å; V245-F262 HydrophobicContact CG2-CE1 4.04Å; V245-F262 HydrophobicContact CG2-CZ 4.37Å; V246-F262 HydrophobicContact CG2-CB 3.97Å; G249-F262 PolarHBondContact O-N 3.03Å; F262-A264 HydrophobicContact CD1-CB 4.18Å; F262-A264 WeakPolarHBondContact CD1-O 3.43Å; F262-A264 HydrophobicContact CE1-CB 3.6Å; F262-A264 WeakPolarHBondContact CE1-O 3.26Å; F262-A264 HydrophobicContact CZ-CB 4.32Å; F262-Y267 HydrophobicContact CE1-CD1 4.3Å; F262-Y267 AromaticContact CE1-CD2 3.98Å; F262-Y267 HydrophobicContact CE1-CD2 3.98Å; F262-Y267 AromaticContact CE1-CG 3.82Å; F262-Y267 HydrophobicContact CE1-CG 3.82Å; F262-Y267 AromaticContact CZ-CD1 3.99Å; F262-Y267 HydrophobicContact CZ-CD1 3.99Å; F262-Y267 AromaticContact CZ-CD2 3.83Å; F262-Y267 HydrophobicContact CZ-CD2 3.83Å; F262-Y267 HydrophobicContact CZ-CE1 4.13Å; F262-Y267 AromaticContact CZ-CE2 3.99Å; F262-Y267 HydrophobicContact CZ-CE2 3.99Å; F262-Y267 AromaticContact CZ-CG 3.82Å; F262-Y267 HydrophobicContact CZ-CG 3.82Å; F262-A275 CarbonylContact O-C 3.45Å; F262-A275 WeakPolarHBondContact O-CA 3.33Å; F262-G276 PolarHBondContact O-N 3.17Å
263S98.5Very high94.3Very high1 Ų131.9 Ų31.91%0.00720%0.203CC..  trans-108.76.9-166.4-61.20000114.2C57 G58 D59 A275 G276C57-S263 WeakPolarHBondContact CA-OG 3.36Å; G58-S263 PolarHBondContact N-OG 3.42Å; D59-S263 CarbonylContact O-C 3.41Å; D59-S263 VanDerWaalsContact O-CA 3.25Å; D59-S263 WeakPolarHBondContact O-CA 3.37Å; D59-S263 WeakPolarHBondContact O-CB 3.37Å; D59-S263 PolarHBondContact O-N 2.94Å; D59-S263 VanDerWaalsContact O-N 3.09Å; S263-A275 WeakPolarHBondContact O-CB 3.38Å; S263-G276 PolarHBondContact OG-O 2.96Å
264A96.6Very high94.2Very high1 Ų132.1 Ų32.11%0.00821%0.206CC..  trans-102.8107.617400000110.7D59 F262 Y267 N273D59-A264 PolarHBondContact O-N 3.4Å; F262-A264 HydrophobicContact CD1-CB 4.18Å; F262-A264 WeakPolarHBondContact CD1-O 3.43Å; F262-A264 HydrophobicContact CE1-CB 3.6Å; F262-A264 WeakPolarHBondContact CE1-O 3.26Å; F262-A264 HydrophobicContact CZ-CB 4.32Å; A264-Y267 HydrophobicContact CB-CD2 4.35Å; A264-N273 PolarHBondContact O-ND2 3.13Å
265P95.2Very high94.2Very high0 Ų031.8 Ų31.80%020%0.204CC..SBendtrans-79.3154.7177.434.2-32.8000110.3Q63 D66 Y267 N273 A275 L291 P293Q63-P265 PolarHBondContact NE2-O 2.9Å; D66-P265 HydrophobicContact CB-CG 3.95Å; D66-P265 WeakPolarHBondContact OD1-CG 3.41Å; P265-Y267 PolarHBondContact O-N 2.93Å; P265-N273 WeakPolarHBondContact CA-O 3.07Å; P265-A275 HydrophobicContact CB-CB 3.89Å; P265-A275 HydrophobicContact CG-CB 4.07Å; P265-L291 HydrophobicContact CG-CD2 4.29Å; P265-P293 HydrophobicContact CB-CG 4.31Å
266N93.3Very high94.3Very high22 Ų2228.7 Ų28.712%0.11817%0.171CC..SBendtrans46.649.3-176.8-174.620.4000111.8C268 G269 F271 N273 P293 H295N266-C268 PolarHBondContact O-N 2.69Å; N266-G269 WeakPolarHBondContact O-CA 3.17Å; N266-G269 PolarHBondContact O-N 3.21Å; N266-G269 WeakPolarHBondContact OD1-CA 3.3Å; N266-F271 VanDerWaalsContact CA-O 3.31Å; N266-F271 WeakPolarHBondContact CA-O 3.33Å; N266-F271 PolarHBondContact OD1-O 3.05Å; N266-N273 PolarHBondContact N-O 3.16Å; N266-P293 HydrophobicContact CB-CB 4.01Å; N266-P293 HydrophobicContact CB-CG 4.11Å; N266-H295 PolarHBondContact ND2-O 2.98Å
267Y91.2Very high94.4Very high13 Ų1323.8 Ų23.85%0.05115%0.145CC..G310 helixtrans-51.8138.2-171178.6-131.6000111.2H61 R91 V245 F262 A264 P265 G269 V270 F271 N273H61-Y267 HydrophobicContact CB-CD2 4.48Å; H61-Y267 HydrophobicContact CB-CE2 3.83Å; H61-Y267 AromaticContact CD2-CE2 3.2Å; H61-Y267 WeakPolarHBondContact CD2-CE2 3.26Å; H61-Y267 AromaticContact CD2-CZ 3.56Å; H61-Y267 PolarHBondContact CD2-OH 3.03Å; H61-Y267 VanDerWaalsContact CD2-OH 3.27Å; H61-Y267 AromaticContact CG-CE2 3.7Å; H61-Y267 AromaticContact NE2-CE2 3.91Å; H61-Y267 AromaticContact NE2-CZ 3.78Å; H61-Y267 PolarHBondContact NE2-OH 2.88Å; R91-Y267 HydrophobicContact CB-CE2 4.15Å; R91-Y267 HydrophobicContact CG-CE2 4.27Å; R91-Y267 WeakPolarHBondContact CG-OH 3.46Å; R91-Y267 VanDerWaalsContact CZ-OH 3.26Å; R91-Y267 PolarHBondContact NH1-OH 3.36Å; V245-Y267 HydrophobicContact CB-CD1 4.29Å; V245-Y267 HydrophobicContact CG2-CD1 4.24Å; F262-Y267 HydrophobicContact CE1-CD1 4.3Å; F262-Y267 AromaticContact CE1-CD2 3.98Å; F262-Y267 HydrophobicContact CE1-CD2 3.98Å; F262-Y267 AromaticContact CE1-CG 3.82Å; F262-Y267 HydrophobicContact CE1-CG 3.82Å; F262-Y267 AromaticContact CZ-CD1 3.99Å; F262-Y267 HydrophobicContact CZ-CD1 3.99Å; F262-Y267 AromaticContact CZ-CD2 3.83Å; F262-Y267 HydrophobicContact CZ-CD2 3.83Å; F262-Y267 HydrophobicContact CZ-CE1 4.13Å; F262-Y267 AromaticContact CZ-CE2 3.99Å; F262-Y267 HydrophobicContact CZ-CE2 3.99Å; F262-Y267 AromaticContact CZ-CG 3.82Å; F262-Y267 HydrophobicContact CZ-CG 3.82Å; A264-Y267 HydrophobicContact CB-CD2 4.35Å; P265-Y267 PolarHBondContact O-N 2.93Å; Y267-G269 PolarHBondContact O-N 3.48Å; Y267-V270 PolarHBondContact O-N 2.97Å; Y267-V270 VanDerWaalsContact O-N 3.08Å; Y267-F271 AromaticContact CD1-CD2 3.63Å; Y267-F271 HydrophobicContact CD1-CD2 3.63Å; Y267-F271 AromaticContact CD1-CE2 3.55Å; Y267-F271 HydrophobicContact CD1-CE2 3.55Å; Y267-F271 HydrophobicContact CD1-CG 4.25Å; Y267-F271 HydrophobicContact CD1-CZ 4.13Å; Y267-F271 HydrophobicContact CE1-CE2 4.12Å; Y267-F271 HydrophobicContact CG-CD2 4.15Å; Y267-F271 HydrophobicContact CG-CE2 4.47Å; Y267-F271 WeakPolarHBondContact O-CD2 3.45Å; Y267-F271 PolarHBondContact O-N 3.06Å; Y267-F271 VanDerWaalsContact O-N 3.12Å; Y267-N273 WeakPolarHBondContact CB-OD1 3.48Å; Y267-N273 PolarHBondContact N-OD1 2.98Å
268C86.5Confident94.4Very high55 Ų5520.7 Ų20.737%0.37213%0.132SC..G310 helixtrans51.811.9-175.5-66.40000115.8N266 V270N266-C268 PolarHBondContact O-N 2.69Å; C268-V270 HydrophobicContact CB-CG2 3.92Å; C268-V270 PolarHBondContact O-N 3.15Å
269G81.7Confident94.4Very high39 Ų3923.1 Ų23.140%0.40214%0.143SC..G310 helixtrans66.413.3-171.900000114.9N266 Y267N266-G269 WeakPolarHBondContact O-CA 3.17Å; N266-G269 PolarHBondContact O-N 3.21Å; N266-G269 WeakPolarHBondContact OD1-CA 3.3Å; Y267-G269 PolarHBondContact O-N 3.48Å
270V82.9Confident94.4Very high118 Ų11823.1 Ų23.172%0.71514%0.143SC*.THydrogen-bonded Turntrans-127.1-16.8-177.3-600000113.4Y267 C268Y267-V270 PolarHBondContact O-N 2.97Å; Y267-V270 VanDerWaalsContact O-N 3.08Å; C268-V270 HydrophobicContact CB-CG2 3.92Å; C268-V270 PolarHBondContact O-N 3.15Å
271F88.1Confident94.4Very high80 Ų8025 Ų2535%0.35115%0.153SC..  trans-90.3155.3174.2-69.6-101000110V245 N266 Y267 N273V245-F271 HydrophobicContact CG1-CD1 4.12Å; V245-F271 HydrophobicContact CG1-CE1 3.61Å; V245-F271 HydrophobicContact CG1-CZ 4.14Å; V245-F271 HydrophobicContact CG2-CD1 3.97Å; V245-F271 HydrophobicContact CG2-CE1 4.3Å; V245-F271 HydrophobicContact CG2-CG 4.43Å; N266-F271 VanDerWaalsContact CA-O 3.31Å; N266-F271 WeakPolarHBondContact CA-O 3.33Å; N266-F271 PolarHBondContact OD1-O 3.05Å; Y267-F271 AromaticContact CD1-CD2 3.63Å; Y267-F271 HydrophobicContact CD1-CD2 3.63Å; Y267-F271 AromaticContact CD1-CE2 3.55Å; Y267-F271 HydrophobicContact CD1-CE2 3.55Å; Y267-F271 HydrophobicContact CD1-CG 4.25Å; Y267-F271 HydrophobicContact CD1-CZ 4.13Å; Y267-F271 HydrophobicContact CE1-CE2 4.12Å; Y267-F271 HydrophobicContact CG-CD2 4.15Å; Y267-F271 HydrophobicContact CG-CE2 4.47Å; Y267-F271 WeakPolarHBondContact O-CD2 3.45Å; Y267-F271 PolarHBondContact O-N 3.06Å; Y267-F271 VanDerWaalsContact O-N 3.12Å; F271-N273 VanDerWaalsContact CB-OD1 3.23Å; F271-N273 WeakPolarHBondContact CB-OD1 3.25Å
272S90.2Very high94.3Very high89 Ų8932.8 Ų32.862%0.62219%0.187SC*.  trans-103.518.6172.562.20000112.7
273N95.3Very high94.3Very high1 Ų137.6 Ų37.61%0.00521%0.212CC..PPolyproline II helixtrans-71.8148.8-17271.6-70.3000112V245 D247 A264 P265 N266 Y267 F271 P293V245-N273 HydrophobicContact CG2-CB 4.14Å; D247-N273 CarbonylContact O-C 3.51Å; D247-N273 WeakPolarHBondContact O-CA 3.41Å; A264-N273 PolarHBondContact O-ND2 3.13Å; P265-N273 WeakPolarHBondContact CA-O 3.07Å; N266-N273 PolarHBondContact N-O 3.16Å; Y267-N273 WeakPolarHBondContact CB-OD1 3.48Å; Y267-N273 PolarHBondContact N-OD1 2.98Å; F271-N273 VanDerWaalsContact CB-OD1 3.23Å; F271-N273 WeakPolarHBondContact CB-OD1 3.25Å; N273-P293 WeakPolarHBondContact O-CG 3.31Å
274A96.4Very high94.3Very high11 Ų1139.9 Ų39.99%0.09122%0.224CC..PPolyproline II helixtrans-78.4165163.300000110.7D247 G249D247-A274 PolarHBondContact O-N 2.86Å; G249-A274 WeakPolarHBondContact CA-O 3.36Å; G249-A274 PolarHBondContact N-O 3.48Å
275A97.6Very high94.3Very high0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-99.7147166.600000110.9L70 F262 S263 P265 Q290 L291L70-A275 HydrophobicContact CD2-CB 4.23Å; F262-A275 CarbonylContact O-C 3.45Å; F262-A275 WeakPolarHBondContact O-CA 3.33Å; S263-A275 WeakPolarHBondContact O-CB 3.38Å; P265-A275 HydrophobicContact CB-CB 3.89Å; P265-A275 HydrophobicContact CG-CB 4.07Å; A275-Q290 CarbonylContact O-C 3.54Å; A275-Q290 VanDerWaalsContact O-CA 3.26Å; A275-Q290 WeakPolarHBondContact O-CA 3.2Å; A275-L291 HydrophobicContact CB-CB 4.15Å; A275-L291 PolarHBondContact N-O 2.82Å; A275-L291 PolarHBondContact O-N 3.28Å
276G98.2Very high94.5Very high0 Ų049 Ų490%027%0.27CS..EExtended strand (participates in β ladder)trans-118.2152.3177.800000113V261 F262 S263 L289V261-G276 WeakPolarHBondContact CG2-O 3.36Å; F262-G276 PolarHBondContact O-N 3.17Å; S263-G276 PolarHBondContact OG-O 2.96Å; G276-L289 CarbonylContact C-O 3.46Å; G276-L289 WeakPolarHBondContact CA-O 3.46Å
277I98.7Very high94.7Very high2 Ų256.3 Ų56.31%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-132.1128166.2-51.4170.7000107.3L55 L70 I288 L289L55-I277 HydrophobicContact CB-CG2 3.75Å; L55-I277 HydrophobicContact CD2-CG2 3.63Å; L55-I277 HydrophobicContact CG-CG2 4.23Å; L70-I277 HydrophobicContact CB-CD1 4.07Å; L70-I277 HydrophobicContact CD2-CD1 3.8Å; L70-I277 HydrophobicContact CD2-CG1 3.75Å; L70-I277 WeakPolarHBondContact O-CD1 3.46Å; I277-I288 WeakPolarHBondContact O-CA 3.42Å; I277-L289 HydrophobicContact CB-CB 4.25Å; I277-L289 PolarHBondContact N-O 3.12Å; I277-L289 PolarHBondContact O-N 2.95Å
278V98.7Very high95Very high0 Ų057.4 Ų57.40%030%0.302CS..EExtended strand (participates in β ladder)trans-92.7107.1176-168.70000109.2L55 V56 I240 L259 V261 V280 C286 I288L55-V278 CarbonylContact C-O 3.52Å; L55-V278 WeakPolarHBondContact CA-O 3.44Å; V56-V278 HydrophobicContact CB-CB 4.15Å; V56-V278 PolarHBondContact N-O 3.12Å; V56-V278 PolarHBondContact O-N 3.09Å; I240-V278 HydrophobicContact CD1-CB 4.49Å; I240-V278 HydrophobicContact CD1-CG1 4.03Å; I240-V278 HydrophobicContact CG2-CG2 4.28Å; L259-V278 HydrophobicContact CD2-CB 4.34Å; L259-V278 HydrophobicContact CD2-CG1 3.76Å; L259-V278 HydrophobicContact CD2-CG2 3.61Å; L259-V278 HydrophobicContact CG-CG2 4.37Å; V261-V278 HydrophobicContact CB-CG2 3.87Å; V261-V278 HydrophobicContact CG1-CG2 4.17Å; V261-V278 HydrophobicContact CG2-CG2 3.95Å; V278-V280 HydrophobicContact CG1-CG2 4.28Å; V278-V280 PolarHBondContact O-N 3.39Å; V278-C286 HydrophobicContact CG1-CB 3.96Å; V278-I288 HydrophobicContact CB-CD1 4.24Å; V278-I288 HydrophobicContact CG1-CD1 4.02Å; V278-I288 HydrophobicContact CG2-CD1 3.85Å
279H98.7Very high95.5Very high50 Ų5055.9 Ų55.923%0.23129%0.29CS..EExtended strand (participates in β ladder)trans-83.7109.8170.4178.9-143.6000109.6L55 C286 R287L55-H279 HydrophobicContact CG-CB 4.46Å; H279-C286 WeakPolarHBondContact O-CA 3.49Å; H279-R287 PolarHBondContact N-O 2.79Å; H279-R287 PolarHBondContact O-N 2.59Å
280V98.7Very high96.3Very high0 Ų058 Ų580%029%0.289CS..EExtended strand (participates in β ladder)trans-91.5113.5171.5-175.90000107.9A52 P53 V54 V56 I160 I164 I240 V278 L284A52-V280 HydrophobicContact CB-CG1 4.11Å; P53-V280 WeakPolarHBondContact CA-O 3.24Å; P53-V280 WeakPolarHBondContact CB-O 3.24Å; V54-V280 HydrophobicContact CG1-CB 4.29Å; V54-V280 PolarHBondContact N-O 3.41Å; V54-V280 VanDerWaalsContact N-O 3.09Å; V54-V280 PolarHBondContact O-N 3.11Å; V56-V280 HydrophobicContact CG2-CG2 4.22Å; I160-V280 HydrophobicContact CD1-CG2 4.23Å; I160-V280 HydrophobicContact CG2-CG1 4.29Å; I164-V280 HydrophobicContact CD1-CG1 3.64Å; I164-V280 HydrophobicContact CD1-CG2 4.21Å; I240-V280 HydrophobicContact CD1-CG2 4.19Å; V278-V280 HydrophobicContact CG1-CG2 4.28Å; V278-V280 PolarHBondContact O-N 3.39Å; V280-L284 HydrophobicContact CG1-CD2 4.01Å
281D98.2Very high96.8Very high41 Ų4153.1 Ų53.122%0.21926%0.259CS..  trans-80.3172.9178.284.33.5000112.5A52 N283 L284 K285A52-D281 WeakPolarHBondContact CB-O 3.17Å; D281-N283 PolarHBondContact O-N 2.96Å; D281-N283 VanDerWaalsContact OD1-C 3.28Å; D281-N283 VanDerWaalsContact OD1-CA 3.29Å; D281-N283 WeakPolarHBondContact OD1-CA 3.48Å; D281-N283 WeakPolarHBondContact OD1-CB 3.41Å; D281-N283 PolarHBondContact OD1-N 2.93Å; D281-L284 WeakPolarHBondContact O-CA 3.5Å; D281-L284 PolarHBondContact O-N 3.15Å; D281-L284 PolarHBondContact OD1-N 2.87Å; D281-L284 VanDerWaalsContact OD1-N 3.14Å; D281-K285 PolarHBondContact N-O 2.71Å; D281-K285 PolarHBondContact OD1-N 2.89Å
282K97.7Very high96.9Very high164 Ų16454 Ų5471%0.71327%0.272SS*.THydrogen-bonded Turntrans-58.4-17.3178.968.4-180-176.5177.50115.2
283N97.9Very high96.8Very high102 Ų10251.3 Ų51.355%0.54525%0.252SS..THydrogen-bonded Turntrans-103.114.8176.7-49.1-63.7000111.3D281 K285D281-N283 PolarHBondContact O-N 2.96Å; D281-N283 VanDerWaalsContact OD1-C 3.28Å; D281-N283 VanDerWaalsContact OD1-CA 3.29Å; D281-N283 WeakPolarHBondContact OD1-CA 3.48Å; D281-N283 WeakPolarHBondContact OD1-CB 3.41Å; D281-N283 PolarHBondContact OD1-N 2.93Å; N283-K285 HydrophobicContact CB-CG 4.48Å; N283-K285 PolarHBondContact O-N 3.4Å
284L97.6Very high96.2Very high49 Ų4953.8 Ų53.826%0.25727%0.267SS..  trans61.520.9-178-51.9177.7000114.5A52 R163 I164 V280 D281A52-L284 HydrophobicContact CB-CD2 3.79Å; R163-L284 HydrophobicContact CB-CD1 3.64Å; R163-L284 HydrophobicContact CG-CD1 3.75Å; I164-L284 HydrophobicContact CD1-CB 4.35Å; I164-L284 HydrophobicContact CD1-CD2 4.26Å; V280-L284 HydrophobicContact CG1-CD2 4.01Å; D281-L284 WeakPolarHBondContact O-CA 3.5Å; D281-L284 PolarHBondContact O-N 3.15Å; D281-L284 PolarHBondContact OD1-N 2.87Å; D281-L284 VanDerWaalsContact OD1-N 3.14Å
285K97.7Very high94.8Very high144 Ų14458.8 Ų58.863%0.62629%0.288SS*.  trans-79128.9171.3-62.7-175.4178.8-177.70109.1D281 N283D281-K285 PolarHBondContact N-O 2.71Å; D281-K285 PolarHBondContact OD1-N 2.89Å; N283-K285 HydrophobicContact CB-CG 4.48Å; N283-K285 PolarHBondContact O-N 3.4Å
286C98Very high92.7Very high50 Ų5065.9 Ų65.934%0.33832%0.319SS..EExtended strand (participates in β ladder)trans-91.3129.5177.6-64.60000110.5V278 H279V278-C286 HydrophobicContact CG1-CB 3.96Å; H279-C286 WeakPolarHBondContact O-CA 3.49Å
287R97.7Very high90.2Very high174 Ų17473 Ų7366%0.65736%0.357SS*.EExtended strand (participates in β ladder)trans-122.6134.4167.6179.8-175.4-65.21752.2108.8H279H279-R287 PolarHBondContact N-O 2.79Å; H279-R287 PolarHBondContact O-N 2.59Å
288I98.2Very high87.6Confident36 Ų3678.2 Ų78.219%0.18539%0.385CS..EExtended strand (participates in β ladder)trans-91.1129.1175.9-46-58.6000110F250 L259 I277 V278 Q290F250-I288 HydrophobicContact CB-CG2 4.26Å; F250-I288 HydrophobicContact CD1-CB 4.31Å; F250-I288 HydrophobicContact CD1-CG1 4.29Å; F250-I288 HydrophobicContact CD1-CG2 3.62Å; F250-I288 HydrophobicContact CD2-CG1 4.03Å; F250-I288 HydrophobicContact CE1-CB 4.44Å; F250-I288 HydrophobicContact CE1-CG2 4.13Å; F250-I288 HydrophobicContact CE2-CG1 4.28Å; F250-I288 HydrophobicContact CG-CD1 4.46Å; F250-I288 HydrophobicContact CG-CG1 4.03Å; F250-I288 HydrophobicContact CG-CG2 3.97Å; F250-I288 HydrophobicContact CZ-CG1 4.5Å; L259-I288 HydrophobicContact CD1-CD1 4.45Å; L259-I288 HydrophobicContact CD2-CD1 3.84Å; I277-I288 WeakPolarHBondContact O-CA 3.42Å; V278-I288 HydrophobicContact CB-CD1 4.24Å; V278-I288 HydrophobicContact CG1-CD1 4.02Å; V278-I288 HydrophobicContact CG2-CD1 3.85Å; I288-Q290 HydrophobicContact CG2-CG 4.07Å
289L97.8Very high85Confident24 Ų2482.3 Ų82.313%0.12641%0.41CS..EExtended strand (participates in β ladder)trans-100.4132163.4-49.8179000107.5L55 R73 G276 I277L55-L289 HydrophobicContact CD2-CD1 4.18Å; R73-L289 HydrophobicContact CG-CB 4.42Å; G276-L289 CarbonylContact C-O 3.46Å; G276-L289 WeakPolarHBondContact CA-O 3.46Å; I277-L289 HydrophobicContact CB-CB 4.25Å; I277-L289 PolarHBondContact N-O 3.12Å; I277-L289 PolarHBondContact O-N 2.95Å
290Q96.9Very high82.2Confident82 Ų8285.2 Ų85.238%0.38342%0.422SS..EExtended strand (participates in β ladder)trans-111.9147.4179.1-64.2174.2-79.600110.6R73 Y248 F250 A275 I288R73-Q290 PolarHBondContact NE-O 3.27Å; Y248-Q290 PolarHBondContact O-NE2 3.05Å; F250-Q290 HydrophobicContact CD1-CG 4.5Å; F250-Q290 HydrophobicContact CE1-CG 4.42Å; A275-Q290 CarbonylContact O-C 3.54Å; A275-Q290 VanDerWaalsContact O-CA 3.26Å; A275-Q290 WeakPolarHBondContact O-CA 3.2Å; I288-Q290 HydrophobicContact CG2-CG 4.07Å
291L93.5Very high79.3Confident17 Ų1791.3 Ų91.39%0.08946%0.455CS..EExtended strand (participates in β ladder)trans-121.3115.4170.8-174.772.7000108R69 L70 P265 A275R69-L291 HydrophobicContact CB-CD1 4.11Å; R69-L291 HydrophobicContact CB-CD2 3.6Å; R69-L291 HydrophobicContact CB-CG 4.49Å; R69-L291 VanDerWaalsContact NH2-CD1 3.25Å; L70-L291 HydrophobicContact CD2-CD2 4.18Å; P265-L291 HydrophobicContact CG-CD2 4.29Å; A275-L291 HydrophobicContact CB-CB 4.15Å; A275-L291 PolarHBondContact N-O 2.82Å; A275-L291 PolarHBondContact O-N 3.28Å
292T91.9Very high76.6Confident99 Ų9996.1 Ų96.161%0.60749%0.489SS*.  trans-74.8152.9174.854.90000110.2R69 T294R69-T292 PolarHBondContact NH2-O 3.48Å; T292-T294 PolarHBondContact O-N 3.39Å
293P87.6Confident75.6Confident31 Ų3192.8 Ų92.820%0.20148%0.478CS..  trans-50.3139166.7-28.837.7000111.8P265 N266 N273P265-P293 HydrophobicContact CB-CG 4.31Å; N266-P293 HydrophobicContact CB-CB 4.01Å; N266-P293 HydrophobicContact CB-CG 4.11Å; N273-P293 WeakPolarHBondContact O-CG 3.31Å
294T81.7Confident74.4Confident54 Ų5492.3 Ų92.333%0.33147%0.474SS..SBendtrans-73.5-44175.926.10000111.4R69 T292R69-T294 PolarHBondContact NH1-OG1 2.68Å; T292-T294 PolarHBondContact O-N 3.39Å
295H68.1Low73.1Confident115 Ų11594.7 Ų94.753%0.53249%0.486SS..  trans-151.7143.8175-65.1-66.6000110.9N266 N297N266-H295 PolarHBondContact ND2-O 2.98Å; H295-N297 PolarHBondContact O-N 3.13Å
296F53.9Low71.7Confident150 Ų15091.8 Ų91.866%0.65848%0.478SS*.SBendtrans-66.6-15.4-175.5-74.1-80.2000114.5
297N44.5Very low70Confident149 Ų14994.4 Ų94.480%0.79749%0.487SS*.SBendtrans-138.12.7-168.8-82.7-17000117.1H295H295-N297 PolarHBondContact O-N 3.13Å
298D45.3Very low68.2Low111 Ų11189.1 Ų89.159%0.59448%0.475SS*.  trans-112.4108.2176.9-76.9-31000110.4F300D298-F300 VanDerWaalsContact C-N 3.34Å; D298-F300 PolarHBondContact O-N 3.17Å
299T42.7Very low66Low86 Ų8692.9 Ų92.953%0.52850%0.496SS..  trans-54.2108.1143.649.90000105.5N301T299-N301 PolarHBondContact O-N 3.16Å
300F41.4Very low63.6Low111 Ų11198.2 Ų98.249%0.48753%0.525SS..  trans-52.9104.7171.7-98.9-95.7000108.2F65 D298F65-F300 HydrophobicContact CD2-CB 3.81Å; F65-F300 HydrophobicContact CE2-CB 4.32Å; F65-F300 HydrophobicContact CG-CB 4.49Å; D298-F300 VanDerWaalsContact C-N 3.34Å; D298-F300 PolarHBondContact O-N 3.17Å
301N38.2Very low60.8Low128 Ų12899.5 Ų99.568%0.68454%0.536SS*.  trans-109.8108.7168.1-136.524.5000103.7T299T299-N301 PolarHBondContact O-N 3.16Å
302P41.3Very low57.9Low143 Ų143107 Ų10793%0.92958%0.577SS**  trans-60.5015827.7-31.4000110.7Y22 F65Y22-P302 HydrophobicContact CD1-CG 4.12Å; Y22-P302 HydrophobicContact CE1-CG 3.9Å; F65-P302 HydrophobicContact CE2-CG 4.5Å; F65-P302 HydrophobicContact CZ-CG 4.12Å

Retrieved 302 of 302 residues in 885 ms (Link to these results)

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