A0A096NVD3_PAPAN Loading...

Proteasome subunit alpha type-3

AlphaFold DB (G3V4X5), UniProt , Accession A0A096NVD3, Species PAPAN (Papio anubis, Olive baboon), Gene PSMA3, Length 180 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
1M92.6Very high95.4Very high70 Ų7063.2 Ų63.235%0.34539%0.385SS..  0122.50177.2-178.417800106.7V3 L13 A14 F61 M62 L63M1-V3 HydrophobicContact CE-CG1 3.88Å; M1-V3 HydrophobicContact CG-CG1 3.99Å; M1-V3 HydrophobicContact SD-CG1 4.4Å; M1-L13 HydrophobicContact CE-CB 4.16Å; M1-A14 HydrophobicContact CE-CB 4.33Å; M1-A14 HydrophobicContact SD-CB 3.76Å; M1-F61 HydrophobicContact CE-CB 3.61Å; M1-F61 HydrophobicContact CE-CD1 3.96Å; M1-F61 HydrophobicContact CE-CD2 3.42Å; M1-F61 VanDerWaalsContact CE-CD2 3.42Å; M1-F61 HydrophobicContact CE-CE2 4.04Å; M1-F61 HydrophobicContact CE-CG 3.37Å; M1-F61 HydrophobicContact CG-CB 4.26Å; M1-F61 HydrophobicContact CG-CD2 4.36Å; M1-F61 HydrophobicContact SD-CD2 4.41Å; M1-M62 CarbonylContact C-O 3.57Å; M1-M62 WeakPolarHBondContact CA-O 2.76Å; M1-L63 HydrophobicContact CB-CD2 3.88Å; M1-L63 HydrophobicContact CG-CD2 3.75Å; M1-L63 HydrophobicContact SD-CD2 4.22Å
2A96.3Very high95.4Very high56 Ų5661.8 Ų61.846%0.46338%0.38SS..EExtended strand (participates in β ladder)trans-105.2143.6173.500000108.8F61 M62A2-F61 CarbonylContact O-C 3.51Å; A2-F61 WeakPolarHBondContact O-CA 3.34Å; A2-F61 VanDerWaalsContact O-CB 3.25Å; A2-F61 WeakPolarHBondContact O-CB 3.45Å; A2-M62 HydrophobicContact CB-CB 4.41Å; A2-M62 PolarHBondContact N-O 2.95Å; A2-M62 PolarHBondContact O-N 3.49Å
3V96.4Very high95.4Very high62 Ų6257 Ų5738%0.37635%0.35SS..EExtended strand (participates in β ladder)trans-132.3144.5-169.7-54.90000111.1M1 L7 A10 F61M1-V3 HydrophobicContact CE-CG1 3.88Å; M1-V3 HydrophobicContact CG-CG1 3.99Å; M1-V3 HydrophobicContact SD-CG1 4.4Å; V3-L7 HydrophobicContact CG2-CD1 4.35Å; V3-A10 HydrophobicContact CB-CB 3.77Å; V3-A10 HydrophobicContact CG1-CB 3.97Å; V3-A10 HydrophobicContact CG2-CB 3.84Å; V3-F61 HydrophobicContact CB-CB 4.42Å; V3-F61 HydrophobicContact CG1-CB 3.89Å
4A95.4Very high95.5Very high27 Ų2754.3 Ų54.322%0.22334%0.337CS..EExtended strand (participates in β ladder)trans-138.6131.2172.400000110.5C59 S60 I91A4-C59 CarbonylContact O-C 3.47Å; A4-C59 VanDerWaalsContact O-CA 3.27Å; A4-C59 WeakPolarHBondContact O-CA 3.47Å; A4-C59 WeakPolarHBondContact O-CB 3.25Å; A4-S60 PolarHBondContact N-O 3.27Å; A4-S60 PolarHBondContact O-N 3.31Å; A4-I91 HydrophobicContact CB-CB 4.18Å; A4-I91 HydrophobicContact CB-CD1 3.63Å; A4-I91 HydrophobicContact CB-CG1 3.7Å
5G94.6Very high95.6Very high66 Ų6656.3 Ų56.368%0.6834%0.344SS*.EExtended strand (participates in β ladder)trans123.2-145.3-177.400000112.2L7 G58G5-L7 PolarHBondContact O-N 3.38Å; G5-G58 WeakPolarHBondContact CA-O 3.38Å
6L95.5Very high95.6Very high86 Ų8654.4 Ų54.445%0.4533%0.331SS..  trans-71.2112.7-178.1-175.958.9000111.4A8 D9 A10 G58L6-A8 VanDerWaalsContact C-N 3.31Å; L6-A8 PolarHBondContact O-N 2.94Å; L6-D9 HydrophobicContact CB-CB 4.36Å; L6-D9 WeakPolarHBondContact CD2-OD1 3.23Å; L6-D9 HydrophobicContact CG-CB 4.48Å; L6-D9 WeakPolarHBondContact O-CB 2.84Å; L6-D9 PolarHBondContact O-N 3.45Å; L6-A10 PolarHBondContact O-N 3.28Å; L6-G58 PolarHBondContact N-O 3.26Å
7L95.3Very high95.7Very high88 Ų8851.7 Ų51.746%0.46132%0.316SS..Hα-helixtrans-63.6-32.5-172.7-172.361.8000114V3 G5 A10 R11V3-L7 HydrophobicContact CG2-CD1 4.35Å; G5-L7 PolarHBondContact O-N 3.38Å; L7-A10 PolarHBondContact O-N 3.49Å; L7-R11 WeakPolarHBondContact O-CG 3.41Å; L7-R11 PolarHBondContact O-N 3.34Å
8A95.6Very high95.8Very high66 Ų6658.2 Ų58.255%0.54533%0.333SS..Hα-helixtrans-62.6-45.6177.200000111.4L6 R11 S12L6-A8 VanDerWaalsContact C-N 3.31Å; L6-A8 PolarHBondContact O-N 2.94Å; A8-R11 PolarHBondContact O-N 3.45Å; A8-S12 PolarHBondContact O-N 3.03Å
9D95.7Very high95.8Very high12 Ų1261.4 Ų61.46%0.06435%0.345CS..Hα-helixtrans-63.7-45175.6-72.819000110.7L6 R11 S12 L13 R55 F57 G58L6-D9 HydrophobicContact CB-CB 4.36Å; L6-D9 WeakPolarHBondContact CD2-OD1 3.23Å; L6-D9 HydrophobicContact CG-CB 4.48Å; L6-D9 WeakPolarHBondContact O-CB 2.84Å; L6-D9 PolarHBondContact O-N 3.45Å; D9-R11 VanDerWaalsContact C-N 3.31Å; D9-R11 PolarHBondContact O-N 3.39Å; D9-S12 PolarHBondContact O-N 3.17Å; D9-S12 VanDerWaalsContact O-N 3.13Å; D9-S12 PolarHBondContact O-OG 3.06Å; D9-L13 PolarHBondContact O-N 3.12Å; D9-R55 IonicContact OD1-CZ 3.96Å; D9-R55 IonicContact OD1-NH1 2.76Å; D9-R55 IonicContact OD1-NH2 3.93Å; D9-R55 PolarHBondContact OD1-NH2 3.02Å; D9-R55 IonicContact OD2-CZ 2.86Å; D9-R55 IonicContact OD2-NH1 2.82Å; D9-R55 PolarHBondContact OD2-NH1 2.63Å; D9-R55 IonicContact OD2-NH2 3.25Å; D9-R55 PolarHBondContact OD2-NH2 3.3Å; D9-F57 HydrophobicContact CB-CD1 4.03Å; D9-G58 PolarHBondContact OD2-N 3.3Å
10A95.8Very high95.9Very high3 Ų360.4 Ų60.43%0.02534%0.338CS..Hα-helixtrans-59.6-39.5179.500000112.9V3 L6 L7 L13 A14 C59V3-A10 HydrophobicContact CB-CB 3.77Å; V3-A10 HydrophobicContact CG1-CB 3.97Å; V3-A10 HydrophobicContact CG2-CB 3.84Å; L6-A10 PolarHBondContact O-N 3.28Å; L7-A10 PolarHBondContact O-N 3.49Å; A10-L13 PolarHBondContact O-N 3.06Å; A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 3.24Å; A10-C59 HydrophobicContact CB-CB 4.27Å
11R95.9Very high95.9Very high159 Ų15958.6 Ų58.660%0.633%0.331SS*.Hα-helixtrans-63.3-44.7174.8-74.3174.9-178.3155.8-0.1111.6L7 A8 D9 L13 A14 D15L7-R11 WeakPolarHBondContact O-CG 3.41Å; L7-R11 PolarHBondContact O-N 3.34Å; A8-R11 PolarHBondContact O-N 3.45Å; D9-R11 VanDerWaalsContact C-N 3.31Å; D9-R11 PolarHBondContact O-N 3.39Å; R11-L13 VanDerWaalsContact C-N 3.33Å; R11-L13 PolarHBondContact O-N 3.08Å; R11-A14 WeakPolarHBondContact O-CB 3.37Å; R11-A14 PolarHBondContact O-N 2.97Å; R11-A14 VanDerWaalsContact O-N 3.17Å; R11-D15 PolarHBondContact O-N 2.86Å
12S95.4Very high96.1Very high46 Ų4658.1 Ų58.132%0.32233%0.334SS..Hα-helixtrans-61.3-42177.670.40000112.2A8 D9 A14 D15 I16A8-S12 PolarHBondContact O-N 3.03Å; D9-S12 PolarHBondContact O-N 3.17Å; D9-S12 VanDerWaalsContact O-N 3.13Å; D9-S12 PolarHBondContact O-OG 3.06Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.72Å; S12-D15 PolarHBondContact O-N 2.87Å; S12-I16 WeakPolarHBondContact O-CD1 3.44Å; S12-I16 WeakPolarHBondContact O-CG1 3.37Å; S12-I16 PolarHBondContact O-N 3.47Å
13L96.1Very high96.1Very high0 Ų058.3 Ų58.30%033%0.327CS..Hα-helixtrans-67.1-34.3175.8-69.9177.2000112.6M1 D9 A10 R11 D15 I16 A17 Y44 V45 F57 C59 F61M1-L13 HydrophobicContact CE-CB 4.16Å; D9-L13 PolarHBondContact O-N 3.12Å; A10-L13 PolarHBondContact O-N 3.06Å; R11-L13 VanDerWaalsContact C-N 3.33Å; R11-L13 PolarHBondContact O-N 3.08Å; L13-D15 VanDerWaalsContact C-N 3.3Å; L13-D15 PolarHBondContact O-N 3.2Å; L13-I16 HydrophobicContact CD2-CD1 4.12Å; L13-I16 PolarHBondContact O-N 3.3Å; L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 3.43Å; L13-Y44 HydrophobicContact CD2-CD1 4.31Å; L13-V45 HydrophobicContact CD1-CG2 4.08Å; L13-V45 HydrophobicContact CD2-CG2 3.74Å; L13-F57 HydrophobicContact CD1-CB 4.02Å; L13-F57 HydrophobicContact CD1-CD1 3.98Å; L13-F57 HydrophobicContact CD1-CD2 4.46Å; L13-F57 HydrophobicContact CD1-CG 3.9Å; L13-F57 HydrophobicContact CD2-CD1 4.02Å; L13-F57 HydrophobicContact CD2-CD2 4.02Å; L13-F57 HydrophobicContact CD2-CE1 3.89Å; L13-F57 HydrophobicContact CD2-CE2 3.88Å; L13-F57 HydrophobicContact CD2-CG 4.09Å; L13-F57 HydrophobicContact CD2-CZ 3.84Å; L13-F57 HydrophobicContact CG-CD1 3.88Å; L13-F57 HydrophobicContact CG-CE1 4.06Å; L13-F57 HydrophobicContact CG-CG 4.18Å; L13-C59 VanDerWaalsContact CD1-SG 3.55Å; L13-F61 HydrophobicContact CD1-CD1 3.97Å; L13-F61 HydrophobicContact CD1-CE1 3.57Å; L13-F61 HydrophobicContact CD1-CZ 4.43Å
14A96.6Very high96.1Very high19 Ų1956.1 Ų56.116%0.15731%0.313CS..Hα-helixtrans-63.9-38.1173.800000111.6M1 A10 R11 S12 A17 R18M1-A14 HydrophobicContact CE-CB 4.33Å; M1-A14 HydrophobicContact SD-CB 3.76Å; A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 3.24Å; R11-A14 WeakPolarHBondContact O-CB 3.37Å; R11-A14 PolarHBondContact O-N 2.97Å; R11-A14 VanDerWaalsContact O-N 3.17Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.72Å; A14-A17 PolarHBondContact O-N 3.36Å; A14-R18 WeakPolarHBondContact O-CD 3.38Å; A14-R18 VanDerWaalsContact O-CG 3.24Å; A14-R18 WeakPolarHBondContact O-CG 3.09Å; A14-R18 PolarHBondContact O-N 3.44Å
15D97.1Very high96.1Very high85 Ų8560.9 Ų60.946%0.45533%0.325SS..Hα-helixtrans-69.4-42176.6-66.7-28.4000111.7R11 S12 L13 A17 R18 E19R11-D15 PolarHBondContact O-N 2.86Å; S12-D15 PolarHBondContact O-N 2.87Å; L13-D15 VanDerWaalsContact C-N 3.3Å; L13-D15 PolarHBondContact O-N 3.2Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.02Å; D15-R18 WeakPolarHBondContact O-CB 3.46Å; D15-R18 PolarHBondContact O-N 3.06Å; D15-R18 IonicContact OD1-CZ 2.88Å; D15-R18 IonicContact OD1-NH1 2.68Å; D15-R18 PolarHBondContact OD1-NH1 2.92Å; D15-E19 WeakPolarHBondContact O-CB 3.44Å; D15-E19 PolarHBondContact O-N 3.19Å
16I95.9Very high96.2Very high26 Ų2662.1 Ų62.113%0.13332%0.323CS..Hα-helixtrans-60.4-43173.1-67.2154.1000111.2S12 L13 R18 E19 E20 Y44S12-I16 WeakPolarHBondContact O-CD1 3.44Å; S12-I16 WeakPolarHBondContact O-CG1 3.37Å; S12-I16 PolarHBondContact O-N 3.47Å; L13-I16 HydrophobicContact CD2-CD1 4.12Å; L13-I16 PolarHBondContact O-N 3.3Å; I16-R18 VanDerWaalsContact C-N 3.33Å; I16-R18 PolarHBondContact O-N 3.41Å; I16-E19 PolarHBondContact O-N 3Å; I16-E20 PolarHBondContact O-N 2.96Å; I16-Y44 HydrophobicContact CD1-CD1 3.87Å; I16-Y44 HydrophobicContact CD1-CE1 3.23Å; I16-Y44 HydrophobicContact CD1-CE2 4.47Å; I16-Y44 HydrophobicContact CG1-CE1 4.28Å; I16-Y44 HydrophobicContact CG2-CD1 4.27Å; I16-Y44 HydrophobicContact CG2-CD2 4.34Å; I16-Y44 HydrophobicContact CG2-CG 4.18Å
17A96.8Very high96.3Very high8 Ų864 Ų647%0.06633%0.334CS..Hα-helixtrans-63.9-37.7176.900000112.2L13 A14 D15 A21 L37 V41L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 3.43Å; A14-A17 PolarHBondContact O-N 3.36Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.02Å; A17-A21 WeakPolarHBondContact O-CB 3.41Å; A17-A21 PolarHBondContact O-N 3.12Å; A17-L37 HydrophobicContact CB-CD1 4.48Å; A17-L37 WeakPolarHBondContact O-CD1 3.49Å; A17-V41 HydrophobicContact CB-CG2 3.82Å
18R96.6Very high96.3Very high168 Ų16865.7 Ų65.763%0.63434%0.337SS*.Hα-helixtrans-66.3-43.2174.3-73.4163.9178.5159.8-3.2111.5A14 D15 I16 A21 S22A14-R18 WeakPolarHBondContact O-CD 3.38Å; A14-R18 VanDerWaalsContact O-CG 3.24Å; A14-R18 WeakPolarHBondContact O-CG 3.09Å; A14-R18 PolarHBondContact O-N 3.44Å; D15-R18 WeakPolarHBondContact O-CB 3.46Å; D15-R18 PolarHBondContact O-N 3.06Å; D15-R18 IonicContact OD1-CZ 2.88Å; D15-R18 IonicContact OD1-NH1 2.68Å; D15-R18 PolarHBondContact OD1-NH1 2.92Å; I16-R18 VanDerWaalsContact C-N 3.33Å; I16-R18 PolarHBondContact O-N 3.41Å; R18-A21 PolarHBondContact O-N 2.96Å; R18-S22 WeakPolarHBondContact O-CB 3.43Å; R18-S22 PolarHBondContact O-N 3.17Å
19E97.1Very high96.2Very high120 Ų12065.7 Ų65.756%0.56134%0.344SS*.Hα-helixtrans-59.9-48.3177.1-170.4178171.300110.6D15 I16 A21 S22 N23D15-E19 WeakPolarHBondContact O-CB 3.44Å; D15-E19 PolarHBondContact O-N 3.19Å; I16-E19 PolarHBondContact O-N 3Å; E19-A21 PolarHBondContact O-N 3.46Å; E19-S22 WeakPolarHBondContact O-CB 3.48Å; E19-S22 PolarHBondContact O-N 3.21Å; E19-S22 VanDerWaalsContact O-N 3.12Å; E19-N23 WeakPolarHBondContact O-CB 3.43Å; E19-N23 PolarHBondContact O-N 3.1Å; E19-N23 PolarHBondContact O-ND2 3.34Å
20E96.8Very high96.2Very high41 Ų4171.1 Ų71.119%0.19237%0.365CS..Hα-helixtrans-66.2-36.6178.1-75.5-59.9-111.400113.8I16 S22 N23 F24 L37 R40I16-E20 PolarHBondContact O-N 2.96Å; E20-S22 VanDerWaalsContact C-N 3.3Å; E20-S22 PolarHBondContact O-N 3.21Å; E20-N23 PolarHBondContact OE2-ND2 2.76Å; E20-F24 VanDerWaalsContact O-CB 3.26Å; E20-F24 WeakPolarHBondContact O-CB 3.41Å; E20-F24 PolarHBondContact O-N 3.15Å; E20-L37 HydrophobicContact CB-CD1 4.33Å; E20-R40 IonicContact OE1-CZ 3.34Å; E20-R40 IonicContact OE1-NE 3.06Å; E20-R40 PolarHBondContact OE1-NE 3.35Å; E20-R40 IonicContact OE1-NH2 2.75Å; E20-R40 PolarHBondContact OE1-NH2 3.31Å
21A95.9Very high96Very high23 Ų2376.2 Ų76.219%0.1939%0.391CS..Hα-helixtrans-63.4-38.3172.700000112A17 R18 E19 R25 I32 L37A17-A21 WeakPolarHBondContact O-CB 3.41Å; A17-A21 PolarHBondContact O-N 3.12Å; R18-A21 PolarHBondContact O-N 2.96Å; E19-A21 PolarHBondContact O-N 3.46Å; A21-R25 PolarHBondContact O-N 3.48Å; A21-R25 VanDerWaalsContact O-N 3.15Å; A21-I32 HydrophobicContact CB-CG2 3.85Å; A21-L37 HydrophobicContact CB-CD1 4.47Å
22S97Very high96Very high60 Ų6069.9 Ų69.942%0.4237%0.369SS..Hα-helixtrans-69.9-45.6177.6-1730000112.2R18 E19 E20 F24 R25 S26R18-S22 WeakPolarHBondContact O-CB 3.43Å; R18-S22 PolarHBondContact O-N 3.17Å; E19-S22 WeakPolarHBondContact O-CB 3.48Å; E19-S22 PolarHBondContact O-N 3.21Å; E19-S22 VanDerWaalsContact O-N 3.12Å; E20-S22 VanDerWaalsContact C-N 3.3Å; E20-S22 PolarHBondContact O-N 3.21Å; S22-F24 VanDerWaalsContact C-N 3.34Å; S22-F24 PolarHBondContact O-N 3.23Å; S22-R25 PolarHBondContact O-N 3.32Å; S22-S26 WeakPolarHBondContact O-CB 3.42Å; S22-S26 PolarHBondContact O-N 3.46Å; S22-S26 PolarHBondContact O-OG 2.88Å
23N96.8Very high96Very high60 Ų6069.4 Ų69.432%0.32137%0.365SS..Hα-helixtrans-60-45.7177-70.6-19.1000110.8E19 E20 R25 S26 N27E19-N23 WeakPolarHBondContact O-CB 3.43Å; E19-N23 PolarHBondContact O-N 3.1Å; E19-N23 PolarHBondContact O-ND2 3.34Å; E20-N23 PolarHBondContact OE2-ND2 2.76Å; N23-R25 PolarHBondContact O-N 3.44Å; N23-S26 PolarHBondContact O-N 3.22Å; N23-N27 WeakPolarHBondContact O-CB 3.33Å; N23-N27 VanDerWaalsContact O-CG 3.23Å; N23-N27 PolarHBondContact O-N 2.82Å; N23-N27 PolarHBondContact O-ND2 3.24Å
24F96.9Very high95.9Very high15 Ų1569.9 Ų69.97%0.06637%0.368CS..Hα-helixtrans-60.5-47177.4-172.1-85.5000111.8E20 S22 S26 N27 F28 Y30 I32 H36E20-F24 VanDerWaalsContact O-CB 3.26Å; E20-F24 WeakPolarHBondContact O-CB 3.41Å; E20-F24 PolarHBondContact O-N 3.15Å; S22-F24 VanDerWaalsContact C-N 3.34Å; S22-F24 PolarHBondContact O-N 3.23Å; F24-S26 VanDerWaalsContact C-N 3.3Å; F24-S26 PolarHBondContact O-N 2.94Å; F24-N27 PolarHBondContact O-N 2.68Å; F24-F28 HydrophobicContact CD1-CB 4.5Å; F24-F28 HydrophobicContact CD1-CD2 4.09Å; F24-F28 AromaticContact CD2-CD2 3.46Å; F24-F28 HydrophobicContact CD2-CD2 3.46Å; F24-F28 VanDerWaalsContact CD2-CD2 3.46Å; F24-F28 AromaticContact CD2-CE2 3.63Å; F24-F28 HydrophobicContact CD2-CE2 3.63Å; F24-F28 HydrophobicContact CE1-CB 4.17Å; F24-F28 HydrophobicContact CE1-CD2 4.08Å; F24-F28 HydrophobicContact CE1-CG 4.4Å; F24-F28 AromaticContact CE2-CD2 3.43Å; F24-F28 HydrophobicContact CE2-CD2 3.43Å; F24-F28 VanDerWaalsContact CE2-CD2 3.43Å; F24-F28 AromaticContact CE2-CE2 3.6Å; F24-F28 HydrophobicContact CE2-CE2 3.6Å; F24-F28 HydrophobicContact CE2-CG 4.23Å; F24-F28 HydrophobicContact CE2-CZ 4.48Å; F24-F28 AromaticContact CG-CD2 3.81Å; F24-F28 HydrophobicContact CG-CD2 3.81Å; F24-F28 HydrophobicContact CG-CE2 4.37Å; F24-F28 HydrophobicContact CZ-CB 4.36Å; F24-F28 AromaticContact CZ-CD2 3.77Å; F24-F28 HydrophobicContact CZ-CD2 3.77Å; F24-F28 HydrophobicContact CZ-CE2 4.34Å; F24-F28 HydrophobicContact CZ-CG 4.16Å; F24-F28 WeakPolarHBondContact O-CB 3.33Å; F24-F28 WeakPolarHBondContact O-CD2 3.41Å; F24-F28 PolarHBondContact O-N 3.04Å; F24-Y30 HydrophobicContact CE1-CD2 4.11Å; F24-Y30 HydrophobicContact CE1-CE1 4.25Å; F24-Y30 AromaticContact CE1-CE2 3.6Å; F24-Y30 HydrophobicContact CE1-CE2 3.6Å; F24-Y30 AromaticContact CE1-CZ 3.67Å; F24-Y30 HydrophobicContact CZ-CE1 4.42Å; F24-Y30 AromaticContact CZ-CE2 3.92Å; F24-Y30 HydrophobicContact CZ-CE2 3.92Å; F24-Y30 AromaticContact CZ-CZ 3.68Å; F24-Y30 WeakPolarHBondContact CZ-OH 3.4Å; F24-I32 HydrophobicContact CB-CB 4.07Å; F24-I32 HydrophobicContact CB-CD1 3.82Å; F24-I32 HydrophobicContact CB-CG1 4.15Å; F24-I32 HydrophobicContact CD1-CB 3.57Å; F24-I32 HydrophobicContact CD1-CD1 4.47Å; F24-I32 HydrophobicContact CD1-CG1 3.87Å; F24-I32 HydrophobicContact CD2-CD1 4Å; F24-I32 HydrophobicContact CD2-CG1 4.01Å; F24-I32 HydrophobicContact CE1-CB 4.15Å; F24-I32 HydrophobicContact CE1-CG1 4.26Å; F24-I32 HydrophobicContact CE2-CG1 4.4Å; F24-I32 HydrophobicContact CG-CB 3.81Å; F24-I32 HydrophobicContact CG-CD1 3.83Å; F24-I32 HydrophobicContact CG-CG1 3.72Å; F24-H36 AromaticContact CD2-CE1 3.6Å; F24-H36 AromaticContact CD2-ND1 3.47Å; F24-H36 WeakPolarHBondContact CD2-ND1 3.39Å; F24-H36 AromaticContact CE2-CE1 3.43Å; F24-H36 VanDerWaalsContact CE2-CE1 3.43Å; F24-H36 WeakPolarHBondContact CE2-CE1 3.41Å; F24-H36 AromaticContact CE2-ND1 3.17Å; F24-H36 WeakPolarHBondContact CE2-ND1 3.35Å
25R95.6Very high95.9Very high128 Ų12874.6 Ų74.648%0.48339%0.385SS..Hα-helixtrans-61.8-39.7177.5-174.7-179.1-68.3133-1.3111.9A21 S22 N23 N27 G29 Y30 N31A21-R25 PolarHBondContact O-N 3.48Å; A21-R25 VanDerWaalsContact O-N 3.15Å; S22-R25 PolarHBondContact O-N 3.32Å; N23-R25 PolarHBondContact O-N 3.44Å; R25-N27 VanDerWaalsContact C-N 3.34Å; R25-G29 VanDerWaalsContact O-CA 3.25Å; R25-G29 WeakPolarHBondContact O-CA 3.33Å; R25-G29 PolarHBondContact O-N 3.4Å; R25-Y30 WeakPolarHBondContact CA-O 3.3Å; R25-N31 PolarHBondContact NE-OD1 3.27Å; R25-N31 VanDerWaalsContact NE-OD1 3.12Å; R25-N31 PolarHBondContact NH2-OD1 3.46Å
26S96.9Very high95.8Very high92 Ų9274.2 Ų74.264%0.64338%0.38SS*.Hα-helixtrans-66.8-36.8179.6-56.80000112.2S22 N23 F24S22-S26 WeakPolarHBondContact O-CB 3.42Å; S22-S26 PolarHBondContact O-N 3.46Å; S22-S26 PolarHBondContact O-OG 2.88Å; N23-S26 PolarHBondContact O-N 3.22Å; F24-S26 VanDerWaalsContact C-N 3.3Å; F24-S26 PolarHBondContact O-N 2.94Å
27N96.8Very high95.8Very high126 Ų12674 Ų7467%0.67438%0.379SS*.Hα-helixtrans-81.9-38.9-178.1-68.1-22.3000113.2N23 F24 R25N23-N27 WeakPolarHBondContact O-CB 3.33Å; N23-N27 VanDerWaalsContact O-CG 3.23Å; N23-N27 PolarHBondContact O-N 2.82Å; N23-N27 PolarHBondContact O-ND2 3.24Å; F24-N27 PolarHBondContact O-N 2.68Å; R25-N27 VanDerWaalsContact C-N 3.34Å
28F95.4Very high95.8Very high122 Ų12273.6 Ų73.654%0.53538%0.376SS..Hα-helixtrans-110.3-13.3-170.8-61.7-76.2000114.3F24 Y30F24-F28 HydrophobicContact CD1-CB 4.5Å; F24-F28 HydrophobicContact CD1-CD2 4.09Å; F24-F28 AromaticContact CD2-CD2 3.46Å; F24-F28 HydrophobicContact CD2-CD2 3.46Å; F24-F28 VanDerWaalsContact CD2-CD2 3.46Å; F24-F28 AromaticContact CD2-CE2 3.63Å; F24-F28 HydrophobicContact CD2-CE2 3.63Å; F24-F28 HydrophobicContact CE1-CB 4.17Å; F24-F28 HydrophobicContact CE1-CD2 4.08Å; F24-F28 HydrophobicContact CE1-CG 4.4Å; F24-F28 AromaticContact CE2-CD2 3.43Å; F24-F28 HydrophobicContact CE2-CD2 3.43Å; F24-F28 VanDerWaalsContact CE2-CD2 3.43Å; F24-F28 AromaticContact CE2-CE2 3.6Å; F24-F28 HydrophobicContact CE2-CE2 3.6Å; F24-F28 HydrophobicContact CE2-CG 4.23Å; F24-F28 HydrophobicContact CE2-CZ 4.48Å; F24-F28 AromaticContact CG-CD2 3.81Å; F24-F28 HydrophobicContact CG-CD2 3.81Å; F24-F28 HydrophobicContact CG-CE2 4.37Å; F24-F28 HydrophobicContact CZ-CB 4.36Å; F24-F28 AromaticContact CZ-CD2 3.77Å; F24-F28 HydrophobicContact CZ-CD2 3.77Å; F24-F28 HydrophobicContact CZ-CE2 4.34Å; F24-F28 HydrophobicContact CZ-CG 4.16Å; F24-F28 WeakPolarHBondContact O-CB 3.33Å; F24-F28 WeakPolarHBondContact O-CD2 3.41Å; F24-F28 PolarHBondContact O-N 3.04Å; F28-Y30 VanDerWaalsContact C-N 3.34Å; F28-Y30 HydrophobicContact CB-CD1 3.93Å; F28-Y30 HydrophobicContact CB-CE1 3.61Å; F28-Y30 HydrophobicContact CG-CE1 4.47Å; F28-Y30 WeakPolarHBondContact O-CD1 3.2Å; F28-Y30 PolarHBondContact O-N 2.96Å
29G94.1Very high95.8Very high67 Ų6768.7 Ų68.769%0.69136%0.362SS*.SBendtrans79.45.1175.300000116R25R25-G29 VanDerWaalsContact O-CA 3.25Å; R25-G29 WeakPolarHBondContact O-CA 3.33Å; R25-G29 PolarHBondContact O-N 3.4Å
30Y93.8Very high95.8Very high126 Ų12668.1 Ų68.149%0.49436%0.355SS..SBendtrans-136.8171.2177.167.9-86.6000112.5F24 R25 F28 P33F24-Y30 HydrophobicContact CE1-CD2 4.11Å; F24-Y30 HydrophobicContact CE1-CE1 4.25Å; F24-Y30 AromaticContact CE1-CE2 3.6Å; F24-Y30 HydrophobicContact CE1-CE2 3.6Å; F24-Y30 AromaticContact CE1-CZ 3.67Å; F24-Y30 HydrophobicContact CZ-CE1 4.42Å; F24-Y30 AromaticContact CZ-CE2 3.92Å; F24-Y30 HydrophobicContact CZ-CE2 3.92Å; F24-Y30 AromaticContact CZ-CZ 3.68Å; F24-Y30 WeakPolarHBondContact CZ-OH 3.4Å; R25-Y30 WeakPolarHBondContact CA-O 3.3Å; F28-Y30 VanDerWaalsContact C-N 3.34Å; F28-Y30 HydrophobicContact CB-CD1 3.93Å; F28-Y30 HydrophobicContact CB-CE1 3.61Å; F28-Y30 HydrophobicContact CG-CE1 4.47Å; F28-Y30 WeakPolarHBondContact O-CD1 3.2Å; F28-Y30 PolarHBondContact O-N 2.96Å; Y30-P33 HydrophobicContact CE2-CG 4.34Å
31N93.1Very high95.8Very high109 Ų10966.2 Ų66.258%0.58335%0.346SS*.PPolyproline II helixtrans-69.1137.2-179.2-70.5-14.5000111.6R25R25-N31 PolarHBondContact NE-OD1 3.27Å; R25-N31 VanDerWaalsContact NE-OD1 3.12Å; R25-N31 PolarHBondContact NH2-OD1 3.46Å
32I94.9Very high95.8Very high26 Ų2665.3 Ų65.313%0.13334%0.338CS..PPolyproline II helixtrans-63.2129.9179.8-168.6168000111.5A21 F24 H36 L37A21-I32 HydrophobicContact CB-CG2 3.85Å; F24-I32 HydrophobicContact CB-CB 4.07Å; F24-I32 HydrophobicContact CB-CD1 3.82Å; F24-I32 HydrophobicContact CB-CG1 4.15Å; F24-I32 HydrophobicContact CD1-CB 3.57Å; F24-I32 HydrophobicContact CD1-CD1 4.47Å; F24-I32 HydrophobicContact CD1-CG1 3.87Å; F24-I32 HydrophobicContact CD2-CD1 4Å; F24-I32 HydrophobicContact CD2-CG1 4.01Å; F24-I32 HydrophobicContact CE1-CB 4.15Å; F24-I32 HydrophobicContact CE1-CG1 4.26Å; F24-I32 HydrophobicContact CE2-CG1 4.4Å; F24-I32 HydrophobicContact CG-CB 3.81Å; F24-I32 HydrophobicContact CG-CD1 3.83Å; F24-I32 HydrophobicContact CG-CG1 3.72Å; I32-H36 HydrophobicContact CG1-CB 4.32Å; I32-L37 HydrophobicContact CD1-CB 3.82Å; I32-L37 HydrophobicContact CD1-CD1 4.1Å; I32-L37 HydrophobicContact CG1-CB 4.15Å; I32-L37 HydrophobicContact CG2-CB 4.19Å; I32-L37 HydrophobicContact CG2-CD2 4.33Å
33P94.9Very high95.8Very high37 Ų3768.3 Ų68.324%0.2435%0.347CS..PPolyproline II helixtrans-62.1138.9169.5-23.434.5000110.9Y30 K35 H36 L37Y30-P33 HydrophobicContact CE2-CG 4.34Å; P33-K35 VanDerWaalsContact C-N 3.31Å; P33-K35 PolarHBondContact O-N 3.32Å; P33-H36 HydrophobicContact CB-CB 4.43Å; P33-H36 PolarHBondContact O-N 3.05Å; P33-L37 PolarHBondContact O-N 3.15Å
34L95.5Very high95.7Very high10 Ų1069.5 Ų69.55%0.05235%0.348CS..Hα-helixtrans-60.4-41.1-173.5-172.666.5000112.5H36 L37 A38 L63 Q73 Y75L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 3.29Å; L34-L37 PolarHBondContact O-N 3.37Å; L34-A38 WeakPolarHBondContact O-CB 3.33Å; L34-A38 PolarHBondContact O-N 3.05Å; L34-L63 HydrophobicContact CD1-CB 3.74Å; L34-L63 HydrophobicContact CG-CB 4.47Å; L34-Q73 HydrophobicContact CB-CB 4.39Å; L34-Q73 HydrophobicContact CD2-CB 3.57Å; L34-Q73 VanDerWaalsContact CD2-O 3.23Å; L34-Q73 WeakPolarHBondContact CD2-O 3.48Å; L34-Y75 HydrophobicContact CD2-CD2 3.87Å; L34-Y75 HydrophobicContact CG-CD2 4.13Å
35K95.1Very high95.6Very high118 Ų11868.9 Ų68.951%0.51335%0.345SS..Hα-helixtrans-55.2-45.9175.5-179176.2179.5179.40111.6P33 A38 D39 Y75P33-K35 VanDerWaalsContact C-N 3.31Å; P33-K35 PolarHBondContact O-N 3.32Å; K35-A38 PolarHBondContact O-N 3.39Å; K35-D39 VanDerWaalsContact O-CG 3.24Å; K35-D39 PolarHBondContact O-N 2.91Å; K35-Y75 HydrophobicContact CB-CE2 4.21Å; K35-Y75 HydrophobicContact CG-CE1 4.41Å; K35-Y75 WeakPolarHBondContact CG-OH 3.5Å
36H95.6Very high95.7Very high76 Ų7666.9 Ų66.935%0.35234%0.341SS..Hα-helixtrans-66.9-42.5179.8-172.6-140.5000111.4F24 I32 P33 L34 A38 D39 R40F24-H36 AromaticContact CD2-CE1 3.6Å; F24-H36 AromaticContact CD2-ND1 3.47Å; F24-H36 WeakPolarHBondContact CD2-ND1 3.39Å; F24-H36 AromaticContact CE2-CE1 3.43Å; F24-H36 VanDerWaalsContact CE2-CE1 3.43Å; F24-H36 WeakPolarHBondContact CE2-CE1 3.41Å; F24-H36 AromaticContact CE2-ND1 3.17Å; F24-H36 WeakPolarHBondContact CE2-ND1 3.35Å; I32-H36 HydrophobicContact CG1-CB 4.32Å; P33-H36 HydrophobicContact CB-CB 4.43Å; P33-H36 PolarHBondContact O-N 3.05Å; L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 3.29Å; H36-A38 VanDerWaalsContact C-N 3.33Å; H36-A38 PolarHBondContact O-N 3.48Å; H36-D39 PolarHBondContact O-N 3.06Å; H36-R40 WeakPolarHBondContact O-CB 3.4Å; H36-R40 WeakPolarHBondContact O-CG 3.44Å; H36-R40 PolarHBondContact O-N 3.16Å
37L96.5Very high95.6Very high21 Ų2164.4 Ų64.411%0.1133%0.326CS..Hα-helixtrans-59-45.6173.9-179.462.2000111.5A17 E20 A21 I32 P33 L34 R40 V41 L63A17-L37 HydrophobicContact CB-CD1 4.48Å; A17-L37 WeakPolarHBondContact O-CD1 3.49Å; E20-L37 HydrophobicContact CB-CD1 4.33Å; A21-L37 HydrophobicContact CB-CD1 4.47Å; I32-L37 HydrophobicContact CD1-CB 3.82Å; I32-L37 HydrophobicContact CD1-CD1 4.1Å; I32-L37 HydrophobicContact CG1-CB 4.15Å; I32-L37 HydrophobicContact CG2-CB 4.19Å; I32-L37 HydrophobicContact CG2-CD2 4.33Å; P33-L37 PolarHBondContact O-N 3.15Å; L34-L37 PolarHBondContact O-N 3.37Å; L37-R40 PolarHBondContact O-N 3.5Å; L37-V41 HydrophobicContact CD1-CG2 4.08Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.3Å; L37-V41 PolarHBondContact O-N 3.25Å; L37-L63 HydrophobicContact CG-CD1 4.36Å
38A96.8Very high95.5Very high0 Ų061.6 Ų61.60%031%0.307CS..Hα-helixtrans-61.6-46.3179.600000111.4L34 K35 H36 R40 V41 A42 L63 Y75 I77L34-A38 WeakPolarHBondContact O-CB 3.33Å; L34-A38 PolarHBondContact O-N 3.05Å; K35-A38 PolarHBondContact O-N 3.39Å; H36-A38 VanDerWaalsContact C-N 3.33Å; H36-A38 PolarHBondContact O-N 3.48Å; A38-R40 PolarHBondContact O-N 2.89Å; A38-V41 PolarHBondContact O-N 3.49Å; A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 3.35Å; A38-L63 HydrophobicContact CB-CD1 4.15Å; A38-Y75 HydrophobicContact CB-CD1 3.99Å; A38-Y75 HydrophobicContact CB-CG 3.94Å; A38-I77 HydrophobicContact CB-CD1 4.11Å; A38-I77 WeakPolarHBondContact O-CD1 3.45Å
39D96.4Very high95.4Very high65 Ų6558.3 Ų58.335%0.34830%0.297SS..Hα-helixtrans-62-42.6177.9-68.3-20.1000111.7K35 H36 A42 M43K35-D39 VanDerWaalsContact O-CG 3.24Å; K35-D39 PolarHBondContact O-N 2.91Å; H36-D39 PolarHBondContact O-N 3.06Å; D39-A42 PolarHBondContact O-N 3.03Å; D39-M43 WeakPolarHBondContact O-CB 3.43Å; D39-M43 VanDerWaalsContact O-CG 3.26Å; D39-M43 WeakPolarHBondContact O-CG 3.41Å; D39-M43 PolarHBondContact O-N 2.74Å
40R96.7Very high95.4Very high108 Ų10860 Ų6041%0.40829%0.289SS..Hα-helixtrans-62.9-48.1178.3-69.4-65.7-63.6176.3-1.6112.4E20 H36 L37 A38 M43 Y44E20-R40 IonicContact OE1-CZ 3.34Å; E20-R40 IonicContact OE1-NE 3.06Å; E20-R40 PolarHBondContact OE1-NE 3.35Å; E20-R40 IonicContact OE1-NH2 2.75Å; E20-R40 PolarHBondContact OE1-NH2 3.31Å; H36-R40 WeakPolarHBondContact O-CB 3.4Å; H36-R40 WeakPolarHBondContact O-CG 3.44Å; H36-R40 PolarHBondContact O-N 3.16Å; L37-R40 PolarHBondContact O-N 3.5Å; A38-R40 PolarHBondContact O-N 2.89Å; R40-M43 PolarHBondContact O-N 3.35Å; R40-Y44 PolarHBondContact O-N 2.95Å; R40-Y44 VanDerWaalsContact O-N 3.12Å
41V96.3Very high95.3Very high1 Ų161.7 Ų61.71%0.00630%0.296CS..Hα-helixtrans-68.8-38.1179.1-176.10000110.4A17 L37 A38 Y44 V45 F61 I77A17-V41 HydrophobicContact CB-CG2 3.82Å; L37-V41 HydrophobicContact CD1-CG2 4.08Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.3Å; L37-V41 PolarHBondContact O-N 3.25Å; A38-V41 PolarHBondContact O-N 3.49Å; V41-Y44 WeakPolarHBondContact O-CB 3.24Å; V41-Y44 PolarHBondContact O-N 3.2Å; V41-V45 WeakPolarHBondContact O-CG2 3.4Å; V41-V45 PolarHBondContact O-N 3.17Å; V41-F61 HydrophobicContact CB-CZ 4.47Å; V41-F61 HydrophobicContact CG1-CE2 3.83Å; V41-F61 HydrophobicContact CG1-CZ 3.48Å; V41-F61 VanDerWaalsContact CG1-CZ 3.48Å; V41-I77 HydrophobicContact CB-CD1 4.48Å
42A96.6Very high95.2Very high4 Ų463 Ų633%0.03331%0.314CS..Hα-helixtrans-62.8-42.6176.200000112.3A38 D39 Y44 V45 H46 I77 G81A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 3.35Å; D39-A42 PolarHBondContact O-N 3.03Å; A42-Y44 VanDerWaalsContact C-N 3.3Å; A42-Y44 PolarHBondContact O-N 2.86Å; A42-V45 PolarHBondContact O-N 3.38Å; A42-H46 WeakPolarHBondContact O-CB 3.39Å; A42-H46 PolarHBondContact O-N 3.24Å; A42-I77 HydrophobicContact CB-CD1 4.33Å; A42-I77 HydrophobicContact CB-CG1 4.19Å; A42-I77 HydrophobicContact CB-CG2 4.09Å; A42-G81 WeakPolarHBondContact CB-O 3.07Å; A42-G81 WeakPolarHBondContact O-CA 3.44Å
43M96.1Very high95.2Very high124 Ų12466.3 Ų66.361%0.61135%0.345SS*.Hα-helixtrans-59.9-40.5172.3-75.1179.370.200112.1D39 R40 H46 A47D39-M43 WeakPolarHBondContact O-CB 3.43Å; D39-M43 VanDerWaalsContact O-CG 3.26Å; D39-M43 WeakPolarHBondContact O-CG 3.41Å; D39-M43 PolarHBondContact O-N 2.74Å; R40-M43 PolarHBondContact O-N 3.35Å; M43-H46 PolarHBondContact O-N 3.25Å; M43-A47 PolarHBondContact O-N 3.26Å
44Y95.6Very high95.1Very high85 Ų8567.5 Ų67.533%0.33335%0.351SS..Hα-helixtrans-63.9-45.8176-173.1-85.6000111.6L13 I16 R40 V41 A42 H46 A47 Y48 F57L13-Y44 HydrophobicContact CD2-CD1 4.31Å; I16-Y44 HydrophobicContact CD1-CD1 3.87Å; I16-Y44 HydrophobicContact CD1-CE1 3.23Å; I16-Y44 HydrophobicContact CD1-CE2 4.47Å; I16-Y44 HydrophobicContact CG1-CE1 4.28Å; I16-Y44 HydrophobicContact CG2-CD1 4.27Å; I16-Y44 HydrophobicContact CG2-CD2 4.34Å; I16-Y44 HydrophobicContact CG2-CG 4.18Å; R40-Y44 PolarHBondContact O-N 2.95Å; R40-Y44 VanDerWaalsContact O-N 3.12Å; V41-Y44 WeakPolarHBondContact O-CB 3.24Å; V41-Y44 PolarHBondContact O-N 3.2Å; A42-Y44 VanDerWaalsContact C-N 3.3Å; A42-Y44 PolarHBondContact O-N 2.86Å; Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.29Å; Y44-A47 WeakPolarHBondContact O-CB 3.24Å; Y44-A47 PolarHBondContact O-N 3.09Å; Y44-Y48 HydrophobicContact CD1-CD2 4.4Å; Y44-Y48 HydrophobicContact CD1-CE2 4.12Å; Y44-Y48 HydrophobicContact CE1-CD2 4.07Å; Y44-Y48 AromaticContact CE1-CE2 3.4Å; Y44-Y48 HydrophobicContact CE1-CE2 3.4Å; Y44-Y48 VanDerWaalsContact CE1-CE2 3.4Å; Y44-Y48 HydrophobicContact CE2-CE2 4.3Å; Y44-Y48 AromaticContact CZ-CE2 3.53Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.16Å; Y44-Y48 PolarHBondContact OH-OH 2.59Å; Y44-F57 HydrophobicContact CD1-CE2 4.12Å; Y44-F57 HydrophobicContact CD1-CZ 4.39Å; Y44-F57 AromaticContact CE1-CE2 3.92Å; Y44-F57 HydrophobicContact CE1-CE2 3.92Å; Y44-F57 AromaticContact CE1-CZ 3.8Å; Y44-F57 HydrophobicContact CE1-CZ 3.8Å
45V95.9Very high95.1Very high1 Ų173.8 Ų73.81%0.00637%0.374CS..Hα-helixtrans-60.3-43.9175.1172.20000110.6L13 V41 A42 A47 Y48 F57 F61 P79L13-V45 HydrophobicContact CD1-CG2 4.08Å; L13-V45 HydrophobicContact CD2-CG2 3.74Å; V41-V45 WeakPolarHBondContact O-CG2 3.4Å; V41-V45 PolarHBondContact O-N 3.17Å; A42-V45 PolarHBondContact O-N 3.38Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.24Å; V45-Y48 PolarHBondContact O-N 3.47Å; V45-Y48 VanDerWaalsContact O-N 3.16Å; V45-F57 HydrophobicContact CB-CD2 4.4Å; V45-F57 HydrophobicContact CG1-CD2 4.28Å; V45-F57 HydrophobicContact CG2-CD2 4.17Å; V45-F61 HydrophobicContact CG2-CE1 4.18Å; V45-F61 HydrophobicContact CG2-CZ 4.29Å; V45-P79 WeakPolarHBondContact CG1-O 3.42Å
46H96.1Very high95.1Very high86 Ų8671.2 Ų71.240%0.39837%0.369SS..Hα-helixtrans-59.4-39.9178.7-173.760.4000112.1A42 M43 Y44 Y48 T49 S80A42-H46 WeakPolarHBondContact O-CB 3.39Å; A42-H46 PolarHBondContact O-N 3.24Å; M43-H46 PolarHBondContact O-N 3.25Å; Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.29Å; H46-Y48 PolarHBondContact O-N 3.02Å; H46-Y48 VanDerWaalsContact O-N 3.13Å; H46-T49 PolarHBondContact ND1-OG1 3.35Å; H46-T49 WeakPolarHBondContact O-CB 3.48Å; H46-T49 PolarHBondContact O-N 3.12Å; H46-T49 PolarHBondContact O-OG1 3.02Å; H46-S80 PolarHBondContact ND1-O 2.79Å
47A95.1Very high95.1Very high40 Ų4068.3 Ų68.333%0.33136%0.356SS..Hα-helixtrans-57-31.2178.900000113.4M43 Y44 V45 T49 L50M43-A47 PolarHBondContact O-N 3.26Å; Y44-A47 WeakPolarHBondContact O-CB 3.24Å; Y44-A47 PolarHBondContact O-N 3.09Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.24Å; A47-T49 PolarHBondContact O-N 3.19Å; A47-L50 PolarHBondContact O-N 3.1Å
48Y94.5Very high95Very high68 Ų6869 Ų6927%0.26737%0.368SS..THydrogen-bonded Turntrans-78-0.9177.2-79.7-108.8000113.7Y44 V45 H46 V54 F57Y44-Y48 HydrophobicContact CD1-CD2 4.4Å; Y44-Y48 HydrophobicContact CD1-CE2 4.12Å; Y44-Y48 HydrophobicContact CE1-CD2 4.07Å; Y44-Y48 AromaticContact CE1-CE2 3.4Å; Y44-Y48 HydrophobicContact CE1-CE2 3.4Å; Y44-Y48 VanDerWaalsContact CE1-CE2 3.4Å; Y44-Y48 HydrophobicContact CE2-CE2 4.3Å; Y44-Y48 AromaticContact CZ-CE2 3.53Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.16Å; Y44-Y48 PolarHBondContact OH-OH 2.59Å; V45-Y48 PolarHBondContact O-N 3.47Å; V45-Y48 VanDerWaalsContact O-N 3.16Å; H46-Y48 PolarHBondContact O-N 3.02Å; H46-Y48 VanDerWaalsContact O-N 3.13Å; Y48-V54 HydrophobicContact CD1-CB 3.84Å; Y48-V54 HydrophobicContact CD1-CG1 4.38Å; Y48-V54 HydrophobicContact CD1-CG2 3.82Å; Y48-V54 HydrophobicContact CE1-CB 4.22Å; Y48-V54 HydrophobicContact CE1-CG1 4.28Å; Y48-V54 HydrophobicContact CE1-CG2 4.46Å; Y48-V54 HydrophobicContact CG-CG2 4.2Å; Y48-F57 AromaticContact CD1-CE2 3.84Å; Y48-F57 HydrophobicContact CD1-CE2 3.84Å; Y48-F57 HydrophobicContact CD1-CZ 4.02Å; Y48-F57 HydrophobicContact CD2-CD2 4.47Å; Y48-F57 AromaticContact CD2-CE2 3.5Å; Y48-F57 HydrophobicContact CD2-CE2 3.5Å; Y48-F57 HydrophobicContact CD2-CZ 4.1Å; Y48-F57 HydrophobicContact CE1-CE2 4.23Å; Y48-F57 AromaticContact CE1-CZ 3.99Å; Y48-F57 HydrophobicContact CE1-CZ 3.99Å; Y48-F57 AromaticContact CE2-CE2 3.91Å; Y48-F57 HydrophobicContact CE2-CE2 3.91Å; Y48-F57 HydrophobicContact CE2-CZ 4.06Å; Y48-F57 HydrophobicContact CG-CD2 4.14Å; Y48-F57 AromaticContact CG-CE2 3.45Å; Y48-F57 HydrophobicContact CG-CE2 3.45Å; Y48-F57 VanDerWaalsContact CG-CE2 3.45Å; Y48-F57 HydrophobicContact CG-CZ 4.07Å; Y48-F57 AromaticContact CZ-CZ 4Å
49T94.3Very high95Very high52 Ų5269.2 Ų69.232%0.31937%0.369SS..THydrogen-bonded Turntrans-100.7-9.7176.172.20000113.2H46 A47 P56 P79H46-T49 PolarHBondContact ND1-OG1 3.35Å; H46-T49 WeakPolarHBondContact O-CB 3.48Å; H46-T49 PolarHBondContact O-N 3.12Å; H46-T49 PolarHBondContact O-OG1 3.02Å; A47-T49 PolarHBondContact O-N 3.19Å; T49-P56 HydrophobicContact CG2-CB 4.2Å; T49-P56 HydrophobicContact CG2-CG 4.27Å; T49-P79 WeakPolarHBondContact CG2-O 3.38Å
50L92.9Very high95Very high102 Ų10267.4 Ų67.453%0.53436%0.362SS..THydrogen-bonded Turntrans-92.2-27.8-172.7-63.3176.4000114.1A47A47-L50 PolarHBondContact O-N 3.1Å
51Y91.4Very high95Very high163 Ų16362.2 Ų62.264%0.63934%0.342SS*.  trans-115.7135.1-170.6-58.3-75.8000111.7A53 V54Y51-A53 PolarHBondContact O-N 3.46Å; Y51-V54 PolarHBondContact O-N 3.12Å
52S91.2Very high95Very high137 Ų13763.5 Ų63.596%0.95835%0.349SS*.THydrogen-bonded Turntrans-68.4-13.2177.157.50000114.4V54S52-V54 VanDerWaalsContact C-N 3.32Å
53A94.7Very high95Very high95 Ų9563.8 Ų63.879%0.78535%0.349SS*.THydrogen-bonded Turntrans-74.6-21.7179.600000113.3Y51Y51-A53 PolarHBondContact O-N 3.46Å
54V94.4Very high95Very high61 Ų6159.3 Ų59.337%0.3734%0.335SS..SBendtrans-126.6148.5-179.2-650000109.7Y48 Y51 S52Y48-V54 HydrophobicContact CD1-CB 3.84Å; Y48-V54 HydrophobicContact CD1-CG1 4.38Å; Y48-V54 HydrophobicContact CD1-CG2 3.82Å; Y48-V54 HydrophobicContact CE1-CB 4.22Å; Y48-V54 HydrophobicContact CE1-CG1 4.28Å; Y48-V54 HydrophobicContact CE1-CG2 4.46Å; Y48-V54 HydrophobicContact CG-CG2 4.2Å; Y51-V54 PolarHBondContact O-N 3.12Å; S52-V54 VanDerWaalsContact C-N 3.32Å
55R95Very high95Very high142 Ų14257.1 Ų57.154%0.53633%0.332SS..PPolyproline II helixtrans-89.1149.4172.764.5172.6-17577.4-0.1110.2D9D9-R55 IonicContact OD1-CZ 3.96Å; D9-R55 IonicContact OD1-NH1 2.76Å; D9-R55 IonicContact OD1-NH2 3.93Å; D9-R55 PolarHBondContact OD1-NH2 3.02Å; D9-R55 IonicContact OD2-CZ 2.86Å; D9-R55 IonicContact OD2-NH1 2.82Å; D9-R55 PolarHBondContact OD2-NH1 2.63Å; D9-R55 IonicContact OD2-NH2 3.25Å; D9-R55 PolarHBondContact OD2-NH2 3.3Å
56P95.2Very high95Very high64 Ų6459.2 Ų59.242%0.41634%0.34SS..PPolyproline II helixtrans-56.5155.4167.5-25.635000112.5T49 G58T49-P56 HydrophobicContact CG2-CB 4.2Å; T49-P56 HydrophobicContact CG2-CG 4.27Å; P56-G58 PolarHBondContact O-N 3.19Å
57F95.4Very high94.8Very high16 Ų1656.9 Ų56.97%0.0733%0.334CS..PPolyproline II helixtrans-69128.3172.8-70.8-79.1000110.6D9 L13 Y44 V45 Y48 C59 P79D9-F57 HydrophobicContact CB-CD1 4.03Å; L13-F57 HydrophobicContact CD1-CB 4.02Å; L13-F57 HydrophobicContact CD1-CD1 3.98Å; L13-F57 HydrophobicContact CD1-CD2 4.46Å; L13-F57 HydrophobicContact CD1-CG 3.9Å; L13-F57 HydrophobicContact CD2-CD1 4.02Å; L13-F57 HydrophobicContact CD2-CD2 4.02Å; L13-F57 HydrophobicContact CD2-CE1 3.89Å; L13-F57 HydrophobicContact CD2-CE2 3.88Å; L13-F57 HydrophobicContact CD2-CG 4.09Å; L13-F57 HydrophobicContact CD2-CZ 3.84Å; L13-F57 HydrophobicContact CG-CD1 3.88Å; L13-F57 HydrophobicContact CG-CE1 4.06Å; L13-F57 HydrophobicContact CG-CG 4.18Å; Y44-F57 HydrophobicContact CD1-CE2 4.12Å; Y44-F57 HydrophobicContact CD1-CZ 4.39Å; Y44-F57 AromaticContact CE1-CE2 3.92Å; Y44-F57 HydrophobicContact CE1-CE2 3.92Å; Y44-F57 AromaticContact CE1-CZ 3.8Å; Y44-F57 HydrophobicContact CE1-CZ 3.8Å; V45-F57 HydrophobicContact CB-CD2 4.4Å; V45-F57 HydrophobicContact CG1-CD2 4.28Å; V45-F57 HydrophobicContact CG2-CD2 4.17Å; Y48-F57 AromaticContact CD1-CE2 3.84Å; Y48-F57 HydrophobicContact CD1-CE2 3.84Å; Y48-F57 HydrophobicContact CD1-CZ 4.02Å; Y48-F57 HydrophobicContact CD2-CD2 4.47Å; Y48-F57 AromaticContact CD2-CE2 3.5Å; Y48-F57 HydrophobicContact CD2-CE2 3.5Å; Y48-F57 HydrophobicContact CD2-CZ 4.1Å; Y48-F57 HydrophobicContact CE1-CE2 4.23Å; Y48-F57 AromaticContact CE1-CZ 3.99Å; Y48-F57 HydrophobicContact CE1-CZ 3.99Å; Y48-F57 AromaticContact CE2-CE2 3.91Å; Y48-F57 HydrophobicContact CE2-CE2 3.91Å; Y48-F57 HydrophobicContact CE2-CZ 4.06Å; Y48-F57 HydrophobicContact CG-CD2 4.14Å; Y48-F57 AromaticContact CG-CE2 3.45Å; Y48-F57 HydrophobicContact CG-CE2 3.45Å; Y48-F57 VanDerWaalsContact CG-CE2 3.45Å; Y48-F57 HydrophobicContact CG-CZ 4.07Å; Y48-F57 AromaticContact CZ-CZ 4Å; F57-C59 PolarHBondContact O-N 2.82Å; F57-C59 VanDerWaalsContact O-N 3.1Å; F57-P79 VanDerWaalsContact O-CB 3.29Å; F57-P79 WeakPolarHBondContact O-CB 3.43Å
58G94.9Very high94.5Very high36 Ų3661 Ų6137%0.37136%0.355SS..SBendtrans-83.932.6-177.600000114G5 L6 D9 P56G5-G58 WeakPolarHBondContact CA-O 3.38Å; L6-G58 PolarHBondContact N-O 3.26Å; D9-G58 PolarHBondContact OD2-N 3.3Å; P56-G58 PolarHBondContact O-N 3.19Å
59C95.7Very high94.3Very high3 Ų365 Ų652%0.0238%0.38CS..EExtended strand (participates in β ladder)trans-146.5148.4-178.166.80000113A4 A10 L13 F57A4-C59 CarbonylContact O-C 3.47Å; A4-C59 VanDerWaalsContact O-CA 3.27Å; A4-C59 WeakPolarHBondContact O-CA 3.47Å; A4-C59 WeakPolarHBondContact O-CB 3.25Å; A10-C59 HydrophobicContact CB-CB 4.27Å; L13-C59 VanDerWaalsContact CD1-SG 3.55Å; F57-C59 PolarHBondContact O-N 2.82Å; F57-C59 VanDerWaalsContact O-N 3.1Å
60S96.3Very high93.9Very high27 Ų2766.4 Ų66.419%0.18939%0.386CS..EExtended strand (participates in β ladder)trans-104.2152.1165-59.80000108.5A4 I77 P79A4-S60 PolarHBondContact N-O 3.27Å; A4-S60 PolarHBondContact O-N 3.31Å; S60-I77 WeakPolarHBondContact CA-O 3.48Å; S60-P79 WeakPolarHBondContact OG-CD 3.15Å
61F96.4Very high93.9Very high0 Ų063 Ų630%038%0.376CS..EExtended strand (participates in β ladder)trans-148.1156.6177.855.8-84.8000111.9M1 A2 V3 L13 V41 V45 L63 M76 I77M1-F61 HydrophobicContact CE-CB 3.61Å; M1-F61 HydrophobicContact CE-CD1 3.96Å; M1-F61 HydrophobicContact CE-CD2 3.42Å; M1-F61 VanDerWaalsContact CE-CD2 3.42Å; M1-F61 HydrophobicContact CE-CE2 4.04Å; M1-F61 HydrophobicContact CE-CG 3.37Å; M1-F61 HydrophobicContact CG-CB 4.26Å; M1-F61 HydrophobicContact CG-CD2 4.36Å; M1-F61 HydrophobicContact SD-CD2 4.41Å; A2-F61 CarbonylContact O-C 3.51Å; A2-F61 WeakPolarHBondContact O-CA 3.34Å; A2-F61 VanDerWaalsContact O-CB 3.25Å; A2-F61 WeakPolarHBondContact O-CB 3.45Å; V3-F61 HydrophobicContact CB-CB 4.42Å; V3-F61 HydrophobicContact CG1-CB 3.89Å; L13-F61 HydrophobicContact CD1-CD1 3.97Å; L13-F61 HydrophobicContact CD1-CE1 3.57Å; L13-F61 HydrophobicContact CD1-CZ 4.43Å; V41-F61 HydrophobicContact CB-CZ 4.47Å; V41-F61 HydrophobicContact CG1-CE2 3.83Å; V41-F61 HydrophobicContact CG1-CZ 3.48Å; V41-F61 VanDerWaalsContact CG1-CZ 3.48Å; V45-F61 HydrophobicContact CG2-CE1 4.18Å; V45-F61 HydrophobicContact CG2-CZ 4.29Å; F61-L63 HydrophobicContact CD2-CD2 4.2Å; F61-L63 HydrophobicContact CD2-CG 4.15Å; F61-L63 HydrophobicContact CE2-CD1 4.29Å; F61-L63 HydrophobicContact CE2-CD2 4.5Å; F61-L63 HydrophobicContact CE2-CG 4.29Å; F61-M76 WeakPolarHBondContact O-CA 3.21Å; F61-I77 HydrophobicContact CD2-CB 4.42Å; F61-I77 HydrophobicContact CD2-CD1 4.27Å; F61-I77 HydrophobicContact CE1-CB 4.06Å; F61-I77 HydrophobicContact CE1-CG2 3.95Å; F61-I77 HydrophobicContact CE2-CB 3.88Å; F61-I77 HydrophobicContact CE2-CD1 3.35Å; F61-I77 HydrophobicContact CE2-CG1 4.19Å; F61-I77 HydrophobicContact CE2-CG2 4.38Å; F61-I77 HydrophobicContact CZ-CB 3.64Å; F61-I77 HydrophobicContact CZ-CD1 3.66Å; F61-I77 HydrophobicContact CZ-CG1 4.27Å; F61-I77 HydrophobicContact CZ-CG2 3.65Å; F61-I77 PolarHBondContact N-O 3.33Å; F61-I77 VanDerWaalsContact N-O 3.1Å; F61-I77 PolarHBondContact O-N 3.26Å
62M97.3Very high94Very high27 Ų2759.2 Ų59.213%0.13338%0.378CS..EExtended strand (participates in β ladder)trans-116.2134-179.5-63.6169.857.800109.6M1 A2 L74 Y75 M76 C89 I91M1-M62 CarbonylContact C-O 3.57Å; M1-M62 WeakPolarHBondContact CA-O 2.76Å; A2-M62 HydrophobicContact CB-CB 4.41Å; A2-M62 PolarHBondContact N-O 2.95Å; A2-M62 PolarHBondContact O-N 3.49Å; M62-L74 HydrophobicContact CB-CD1 4.38Å; M62-L74 HydrophobicContact CE-CD1 3.8Å; M62-L74 HydrophobicContact CE-CD2 3.95Å; M62-L74 HydrophobicContact CE-CG 4.27Å; M62-Y75 CarbonylContact C-O 3.59Å; M62-Y75 VanDerWaalsContact CA-O 3.26Å; M62-Y75 WeakPolarHBondContact CA-O 3.41Å; M62-M76 HydrophobicContact CG-CB 4.06Å; M62-M76 HydrophobicContact CG-CG 3.84Å; M62-C89 HydrophobicContact CE-CB 3.68Å; M62-C89 WeakPolarHBondContact CE-O 3.4Å; M62-C89 HydrophobicContact SD-CB 4.26Å; M62-I91 HydrophobicContact CG-CD1 3.99Å; M62-I91 HydrophobicContact CG-CG1 4.45Å; M62-I91 HydrophobicContact SD-CD1 4.14Å; M62-I91 HydrophobicContact SD-CG1 3.98Å; M62-I91 HydrophobicContact SD-CG2 4.46Å
63L97Very high94.1Very high10 Ų1055.1 Ų55.15%0.05234%0.344CS..EExtended strand (participates in β ladder)trans-112.6122.4175.5-60.1178.3000107.9M1 L34 L37 A38 F61 L74 Y75 I77M1-L63 HydrophobicContact CB-CD2 3.88Å; M1-L63 HydrophobicContact CG-CD2 3.75Å; M1-L63 HydrophobicContact SD-CD2 4.22Å; L34-L63 HydrophobicContact CD1-CB 3.74Å; L34-L63 HydrophobicContact CG-CB 4.47Å; L37-L63 HydrophobicContact CG-CD1 4.36Å; A38-L63 HydrophobicContact CB-CD1 4.15Å; F61-L63 HydrophobicContact CD2-CD2 4.2Å; F61-L63 HydrophobicContact CD2-CG 4.15Å; F61-L63 HydrophobicContact CE2-CD1 4.29Å; F61-L63 HydrophobicContact CE2-CD2 4.5Å; F61-L63 HydrophobicContact CE2-CG 4.29Å; L63-L74 WeakPolarHBondContact O-CA 3.45Å; L63-Y75 PolarHBondContact N-O 2.82Å; L63-Y75 PolarHBondContact O-N 3.5Å; L63-I77 HydrophobicContact CD1-CD1 3.95Å
64G96.2Very high94.2Very high30 Ų3052.7 Ų52.731%0.30932%0.317SS..EExtended strand (participates in β ladder)trans-120.4140.9176.100000110Q73G64-Q73 WeakPolarHBondContact CA-O 3.42Å
65S95.8Very high94.3Very high39 Ų3951.6 Ų51.627%0.27331%0.307SS..EExtended strand (participates in β ladder)trans-152.1157.9177.3-1690000110.6Q73S65-Q73 PolarHBondContact N-O 3.23Å; S65-Q73 PolarHBondContact O-N 3Å
66Y95.1Very high94.4Very high45 Ų4545.3 Ų45.318%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-137.2133173.4175.7-91.6000109.7A72 E144 G148Y66-A72 HydrophobicContact CD2-CB 4.03Å; Y66-E144 HydrophobicContact CE1-CB 3.96Å; Y66-G148 WeakPolarHBondContact O-CA 3.4Å
67S92.3Very high94.5Very high37 Ų3742.2 Ų42.226%0.25926%0.264SS..EExtended strand (participates in β ladder)trans-141143.5174.1167.20000108.2N69 D70 G71S67-N69 PolarHBondContact O-N 3.48Å; S67-N69 PolarHBondContact OG-N 2.95Å; S67-D70 WeakPolarHBondContact CB-OD2 3.47Å; S67-D70 PolarHBondContact O-N 3.04Å; S67-D70 PolarHBondContact OG-OD2 3.17Å; S67-G71 PolarHBondContact N-O 3.43Å; S67-G71 VanDerWaalsContact O-CA 3.3Å; S67-G71 WeakPolarHBondContact O-CA 3.41Å; S67-G71 PolarHBondContact O-N 2.95Å
68V89.6Confident94.5Very high127 Ų12743.6 Ų43.677%0.7727%0.272SS*.THydrogen-bonded Turntrans-61.2-31.7177.8-178.90000111
69N89.4Confident94.5Very high151 Ų15144 Ų4481%0.80727%0.268SS*.THydrogen-bonded Turntrans-84.3-34-178.2-61.4-18.6000112.9S67S67-N69 PolarHBondContact O-N 3.48Å; S67-N69 PolarHBondContact OG-N 2.95Å
70D86.6Confident94.4Very high83 Ų8346.4 Ų46.444%0.44428%0.284SS..THydrogen-bonded Turntrans-104.4-10.2-172.2-53.6-72.2000113.7S67 Q73S67-D70 WeakPolarHBondContact CB-OD2 3.47Å; S67-D70 PolarHBondContact O-N 3.04Å; S67-D70 PolarHBondContact OG-OD2 3.17Å; D70-Q73 PolarHBondContact O-NE2 3.43Å; D70-Q73 VanDerWaalsContact O-NE2 3.12Å
71G91.3Very high94.2Very high30 Ų3045.8 Ų45.831%0.30928%0.282SS..EExtended strand (participates in β ladder)trans74.5-169.9-174.100000113.9S67S67-G71 PolarHBondContact N-O 3.43Å; S67-G71 VanDerWaalsContact O-CA 3.3Å; S67-G71 WeakPolarHBondContact O-CA 3.41Å; S67-G71 PolarHBondContact O-N 2.95Å
72A93.3Very high94.2Very high83 Ų8348.2 Ų48.269%0.68630%0.297SS*.EExtended strand (participates in β ladder)trans-77.6129.6171.200000109.9Y66Y66-A72 HydrophobicContact CD2-CB 4.03Å
73Q95.1Very high94.1Very high51 Ų5148.1 Ų48.124%0.23830%0.299CS..EExtended strand (participates in β ladder)trans-134.4138.3-177.7-61.6-177.1-16.600110.4L34 G64 S65 D70 Y75L34-Q73 HydrophobicContact CB-CB 4.39Å; L34-Q73 HydrophobicContact CD2-CB 3.57Å; L34-Q73 VanDerWaalsContact CD2-O 3.23Å; L34-Q73 WeakPolarHBondContact CD2-O 3.48Å; G64-Q73 WeakPolarHBondContact CA-O 3.42Å; S65-Q73 PolarHBondContact N-O 3.23Å; S65-Q73 PolarHBondContact O-N 3Å; D70-Q73 PolarHBondContact O-NE2 3.43Å; D70-Q73 VanDerWaalsContact O-NE2 3.12Å; Q73-Y75 HydrophobicContact CB-CE2 4.41Å
74L95.9Very high94Very high45 Ų4554.4 Ų54.424%0.23632%0.323CS..EExtended strand (participates in β ladder)trans-135124175.9176.967.8000109M62 L63 G85 Y86 C89M62-L74 HydrophobicContact CB-CD1 4.38Å; M62-L74 HydrophobicContact CE-CD1 3.8Å; M62-L74 HydrophobicContact CE-CD2 3.95Å; M62-L74 HydrophobicContact CE-CG 4.27Å; L63-L74 WeakPolarHBondContact O-CA 3.45Å; L74-G85 CarbonylContact O-C 3.57Å; L74-G85 WeakPolarHBondContact O-CA 3.47Å; L74-Y86 WeakPolarHBondContact CB-O 3.27Å; L74-Y86 PolarHBondContact O-N 3.13Å; L74-C89 HydrophobicContact CD2-CB 4.37Å
75Y97.6Very high94Very high38 Ų3855.3 Ų55.315%0.14933%0.333CS..EExtended strand (participates in β ladder)trans-121.5146176.7-80.1-99.4000110.4L34 K35 A38 M62 L63 Q73 Y84L34-Y75 HydrophobicContact CD2-CD2 3.87Å; L34-Y75 HydrophobicContact CG-CD2 4.13Å; K35-Y75 HydrophobicContact CB-CE2 4.21Å; K35-Y75 HydrophobicContact CG-CE1 4.41Å; K35-Y75 WeakPolarHBondContact CG-OH 3.5Å; A38-Y75 HydrophobicContact CB-CD1 3.99Å; A38-Y75 HydrophobicContact CB-CG 3.94Å; M62-Y75 CarbonylContact C-O 3.59Å; M62-Y75 VanDerWaalsContact CA-O 3.26Å; M62-Y75 WeakPolarHBondContact CA-O 3.41Å; L63-Y75 PolarHBondContact N-O 2.82Å; L63-Y75 PolarHBondContact O-N 3.5Å; Q73-Y75 HydrophobicContact CB-CE2 4.41Å; Y75-Y84 CarbonylContact C-O 3.52Å; Y75-Y84 VanDerWaalsContact CA-O 3.27Å; Y75-Y84 WeakPolarHBondContact CA-O 3.49Å
76M96.8Very high94Very high9 Ų956.7 Ų56.74%0.04433%0.332CS..EExtended strand (participates in β ladder)trans-124.3137.9171.5-174.3-80.5-62.400109.2F61 M62 D78 Y84 Y86 I91F61-M76 WeakPolarHBondContact O-CA 3.21Å; M62-M76 HydrophobicContact CG-CB 4.06Å; M62-M76 HydrophobicContact CG-CG 3.84Å; M76-D78 HydrophobicContact SD-CB 4.37Å; M76-Y84 PolarHBondContact N-O 3.07Å; M76-Y84 PolarHBondContact O-N 3.27Å; M76-Y84 VanDerWaalsContact O-N 3.1Å; M76-Y86 HydrophobicContact CB-CD2 3.78Å; M76-Y86 HydrophobicContact CB-CE2 3.59Å; M76-Y86 HydrophobicContact CE-CE2 3.95Å; M76-Y86 WeakPolarHBondContact CE-OH 3.45Å; M76-I91 HydrophobicContact CG-CG2 3.8Å; M76-I91 HydrophobicContact SD-CG2 4.17Å
77I96.9Very high93.8Very high0 Ų064.2 Ų64.20%036%0.361CS..EExtended strand (participates in β ladder)trans-121.5130.3178.8-63153.3000108.8A38 V41 A42 S60 F61 L63 V82A38-I77 HydrophobicContact CB-CD1 4.11Å; A38-I77 WeakPolarHBondContact O-CD1 3.45Å; V41-I77 HydrophobicContact CB-CD1 4.48Å; A42-I77 HydrophobicContact CB-CD1 4.33Å; A42-I77 HydrophobicContact CB-CG1 4.19Å; A42-I77 HydrophobicContact CB-CG2 4.09Å; S60-I77 WeakPolarHBondContact CA-O 3.48Å; F61-I77 HydrophobicContact CD2-CB 4.42Å; F61-I77 HydrophobicContact CD2-CD1 4.27Å; F61-I77 HydrophobicContact CE1-CB 4.06Å; F61-I77 HydrophobicContact CE1-CG2 3.95Å; F61-I77 HydrophobicContact CE2-CB 3.88Å; F61-I77 HydrophobicContact CE2-CD1 3.35Å; F61-I77 HydrophobicContact CE2-CG1 4.19Å; F61-I77 HydrophobicContact CE2-CG2 4.38Å; F61-I77 HydrophobicContact CZ-CB 3.64Å; F61-I77 HydrophobicContact CZ-CD1 3.66Å; F61-I77 HydrophobicContact CZ-CG1 4.27Å; F61-I77 HydrophobicContact CZ-CG2 3.65Å; F61-I77 PolarHBondContact N-O 3.33Å; F61-I77 VanDerWaalsContact N-O 3.1Å; F61-I77 PolarHBondContact O-N 3.26Å; L63-I77 HydrophobicContact CD1-CD1 3.95Å; I77-V82 WeakPolarHBondContact CA-O 3.39Å
78D94.7Very high93.8Very high45 Ų4563.6 Ų63.624%0.24136%0.36CS..  trans-98165.5176.572.828.1000112.3M76 S80 G81 V82M76-D78 HydrophobicContact SD-CB 4.37Å; D78-S80 PolarHBondContact O-N 3.43Å; D78-S80 WeakPolarHBondContact OD1-CA 3.47Å; D78-S80 VanDerWaalsContact OD1-CB 3.29Å; D78-S80 WeakPolarHBondContact OD1-CB 3.5Å; D78-S80 PolarHBondContact OD1-N 3Å; D78-S80 PolarHBondContact OD1-OG 2.98Å; D78-G81 PolarHBondContact O-N 3.36Å; D78-G81 PolarHBondContact OD1-N 3.5Å; D78-V82 PolarHBondContact N-O 2.76Å; D78-V82 PolarHBondContact OD1-N 3.37Å
79P94.4Very high94.1Very high44 Ų4458.5 Ų58.529%0.28633%0.329SS..THydrogen-bonded Turntrans-54.3-18.6176.7-34.138.4000116.3V45 T49 F57 S60 G81V45-P79 WeakPolarHBondContact CG1-O 3.42Å; T49-P79 WeakPolarHBondContact CG2-O 3.38Å; F57-P79 VanDerWaalsContact O-CB 3.29Å; F57-P79 WeakPolarHBondContact O-CB 3.43Å; S60-P79 WeakPolarHBondContact OG-CD 3.15Å; P79-G81 VanDerWaalsContact C-N 3.25Å
80S93.9Very high94.3Very high53 Ų5352.1 Ų52.137%0.37130%0.298SS..THydrogen-bonded Turntrans-80.4-11.6177.977.90000112.7H46 D78 V82H46-S80 PolarHBondContact ND1-O 2.79Å; D78-S80 PolarHBondContact O-N 3.43Å; D78-S80 WeakPolarHBondContact OD1-CA 3.47Å; D78-S80 VanDerWaalsContact OD1-CB 3.29Å; D78-S80 WeakPolarHBondContact OD1-CB 3.5Å; D78-S80 PolarHBondContact OD1-N 3Å; D78-S80 PolarHBondContact OD1-OG 2.98Å; S80-V82 VanDerWaalsContact OG-CG2 3.27Å; S80-V82 WeakPolarHBondContact OG-CG2 3.41Å
81G93.4Very high94.7Very high14 Ų1449.9 Ų49.914%0.14429%0.285CS..  trans85.320.9-175.800000112.9A42 D78 P79A42-G81 WeakPolarHBondContact CB-O 3.07Å; A42-G81 WeakPolarHBondContact O-CA 3.44Å; D78-G81 PolarHBondContact O-N 3.36Å; D78-G81 PolarHBondContact OD1-N 3.5Å; P79-G81 VanDerWaalsContact C-N 3.25Å
82V95.1Very high94.7Very high52 Ų5250.8 Ų50.832%0.31530%0.295SS..  trans-86.6130.6173.5175.50000109.2I77 D78 S80 Y84I77-V82 WeakPolarHBondContact CA-O 3.39Å; D78-V82 PolarHBondContact N-O 2.76Å; D78-V82 PolarHBondContact OD1-N 3.37Å; S80-V82 VanDerWaalsContact OG-CG2 3.27Å; S80-V82 WeakPolarHBondContact OG-CG2 3.41Å; V82-Y84 HydrophobicContact CG1-CD2 3.58Å; V82-Y84 HydrophobicContact CG1-CE2 3.17Å; V82-Y84 HydrophobicContact CG1-CG 4.48Å
83S95.5Very high94.5Very high25 Ų2554.8 Ų54.818%0.17530%0.297CS..EExtended strand (participates in β ladder)trans-114.5127178.9178.40000110.2
84Y96.1Very high94.3Very high142 Ų14254.7 Ų54.756%0.55731%0.305SS*.EExtended strand (participates in β ladder)trans-134147.4174.7-74.5-60.3000111.8Y75 M76 V82 Y86Y75-Y84 CarbonylContact C-O 3.52Å; Y75-Y84 VanDerWaalsContact CA-O 3.27Å; Y75-Y84 WeakPolarHBondContact CA-O 3.49Å; M76-Y84 PolarHBondContact N-O 3.07Å; M76-Y84 PolarHBondContact O-N 3.27Å; M76-Y84 VanDerWaalsContact O-N 3.1Å; V82-Y84 HydrophobicContact CG1-CD2 3.58Å; V82-Y84 HydrophobicContact CG1-CE2 3.17Å; V82-Y84 HydrophobicContact CG1-CG 4.48Å; Y84-Y86 VanDerWaalsContact CB-CE2 3.47Å; Y84-Y86 WeakPolarHBondContact O-CD2 3.4Å; Y84-Y86 VanDerWaalsContact O-CE2 3.29Å; Y84-Y86 WeakPolarHBondContact O-CE2 3.48Å
85G95.7Very high94.2Very high49 Ų4958.1 Ų58.151%0.50531%0.314SS..EExtended strand (participates in β ladder)trans-85.9138.2171.900000111.5L74L74-G85 CarbonylContact O-C 3.57Å; L74-G85 WeakPolarHBondContact O-CA 3.47Å
86Y94.7Very high94Very high68 Ų6862.4 Ų62.427%0.26734%0.336SS..  trans-130.8151.8-176.3-68.1-90.6000111.7L74 M76 Y84 C89L74-Y86 WeakPolarHBondContact CB-O 3.27Å; L74-Y86 PolarHBondContact O-N 3.13Å; M76-Y86 HydrophobicContact CB-CD2 3.78Å; M76-Y86 HydrophobicContact CB-CE2 3.59Å; M76-Y86 HydrophobicContact CE-CE2 3.95Å; M76-Y86 WeakPolarHBondContact CE-OH 3.45Å; Y84-Y86 VanDerWaalsContact CB-CE2 3.47Å; Y84-Y86 WeakPolarHBondContact O-CD2 3.4Å; Y84-Y86 VanDerWaalsContact O-CE2 3.29Å; Y84-Y86 WeakPolarHBondContact O-CE2 3.48Å; Y86-C89 HydrophobicContact CD1-CB 4.09Å; Y86-C89 HydrophobicContact CD2-CB 4.25Å; Y86-C89 HydrophobicContact CG-CB 3.79Å
87W91.7Very high93.8Very high203 Ų20364.2 Ų64.277%0.76935%0.352SS*.SBendtrans-83.6-46.8165.3-68.799.8000110.9K108W87-K108 HydrophobicContact CZ3-CG 4.48Å
88G93.1Very high93.7Very high23 Ų2364.7 Ų64.724%0.23736%0.356CS..SBendtrans-136.3141.1169.200000109.1
89C94.1Very high93.7Very high20 Ų2066.8 Ų66.814%0.13536%0.363CS..  trans-144.5145.3-179.1-167.60000110.1M62 L74 Y86M62-C89 HydrophobicContact CE-CB 3.68Å; M62-C89 WeakPolarHBondContact CE-O 3.4Å; M62-C89 HydrophobicContact SD-CB 4.26Å; L74-C89 HydrophobicContact CD2-CB 4.37Å; Y86-C89 HydrophobicContact CD1-CB 4.09Å; Y86-C89 HydrophobicContact CD2-CB 4.25Å; Y86-C89 HydrophobicContact CG-CB 3.79Å
90A95.4Very high93.7Very high17 Ų1767.4 Ų67.414%0.1437%0.366CS..  trans-130.6143.2172.700000109.1R95 A98 I102A90-R95 WeakPolarHBondContact O-CD 3.44Å; A90-R95 VanDerWaalsContact O-CG 3.3Å; A90-R95 WeakPolarHBondContact O-CG 3.35Å; A90-R95 PolarHBondContact O-NE 2.69Å; A90-A98 HydrophobicContact CB-CB 3.59Å; A90-I102 HydrophobicContact CB-CD1 4.06Å
91I94.6Very high93.7Very high37 Ų3766.5 Ų66.519%0.1936%0.356CS..  trans-136.6149.4177.456.5171.9000109.2A4 M62 M76A4-I91 HydrophobicContact CB-CB 4.18Å; A4-I91 HydrophobicContact CB-CD1 3.63Å; A4-I91 HydrophobicContact CB-CG1 3.7Å; M62-I91 HydrophobicContact CG-CD1 3.99Å; M62-I91 HydrophobicContact CG-CG1 4.45Å; M62-I91 HydrophobicContact SD-CD1 4.14Å; M62-I91 HydrophobicContact SD-CG1 3.98Å; M62-I91 HydrophobicContact SD-CG2 4.46Å; M76-I91 HydrophobicContact CG-CG2 3.8Å; M76-I91 HydrophobicContact SD-CG2 4.17Å
92G91.6Very high93.7Very high49 Ų4967.1 Ų67.151%0.50536%0.356SS..SBendtrans106.3-156.8-179.500000114.1
93K88.7Confident93.6Very high167 Ų16770.3 Ų70.373%0.72637%0.367SS*.THydrogen-bonded Turntrans-63149.9175.1-67.5-174.7-179.3-176.70110R95 D132K93-R95 PolarHBondContact O-N 3.27Å; K93-D132 IonicContact NZ-OD1 3.79Å; K93-D132 PolarHBondContact NZ-OD1 3.49Å
94A91.3Very high93.4Very high49 Ų4975.6 Ų75.641%0.40539%0.387SS..THydrogen-bonded Turntrans54.924.3178.500000115.3Q96 A97 A98 V126A94-Q96 PolarHBondContact O-N 3.3Å; A94-Q96 VanDerWaalsContact O-N 3.1Å; A94-A97 HydrophobicContact CB-CB 4.43Å; A94-A97 PolarHBondContact O-N 3.22Å; A94-A98 PolarHBondContact O-N 2.88Å; A94-V126 HydrophobicContact CB-CB 4.09Å
95R92.9Very high93.2Very high116 Ų11670.3 Ų70.344%0.43837%0.368SS..Hα-helixtrans-47.6-43.3179171.2176-177.7-161.2-0.1113.5A90 K93 K99A90-R95 WeakPolarHBondContact O-CD 3.44Å; A90-R95 VanDerWaalsContact O-CG 3.3Å; A90-R95 WeakPolarHBondContact O-CG 3.35Å; A90-R95 PolarHBondContact O-NE 2.69Å; K93-R95 PolarHBondContact O-N 3.27Å; R95-K99 WeakPolarHBondContact O-CB 3.49Å; R95-K99 PolarHBondContact O-N 3.28Å
96Q93.1Very high92.9Very high128 Ų12873.9 Ų73.960%0.59837%0.372SS*.Hα-helixtrans-69.1-40.8-177.4-174.15840.600111.9A94 K99 T100A94-Q96 PolarHBondContact O-N 3.3Å; A94-Q96 VanDerWaalsContact O-N 3.1Å; Q96-K99 WeakPolarHBondContact O-CB 3.38Å; Q96-K99 PolarHBondContact O-N 2.99Å; Q96-T100 PolarHBondContact O-N 2.65Å; Q96-T100 VanDerWaalsContact O-N 3.09Å
97A93.3Very high92.3Very high48 Ų4873.4 Ų73.440%0.39737%0.373SS..Hα-helixtrans-67.3-40.3176.200000111.6A94 K99 T100 E101 V126A94-A97 HydrophobicContact CB-CB 4.43Å; A94-A97 PolarHBondContact O-N 3.22Å; A97-K99 VanDerWaalsContact C-N 3.28Å; A97-K99 PolarHBondContact O-N 2.95Å; A97-T100 WeakPolarHBondContact CA-OG1 3.37Å; A97-T100 PolarHBondContact O-N 3.06Å; A97-T100 PolarHBondContact O-OG1 2.86Å; A97-E101 PolarHBondContact O-N 3.3Å; A97-V126 HydrophobicContact CB-CG1 4.17Å
98A94.4Very high91.9Very high10 Ų1071.6 Ų71.68%0.08337%0.37CS..Hα-helixtrans-61.6-39.4173.100000111.5A90 A94 T100 E101 I102 I122 V126A90-A98 HydrophobicContact CB-CB 3.59Å; A94-A98 PolarHBondContact O-N 2.88Å; A98-T100 PolarHBondContact O-N 3.05Å; A98-E101 PolarHBondContact O-N 3.37Å; A98-I102 WeakPolarHBondContact O-CB 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.29Å; A98-I102 PolarHBondContact O-N 3.32Å; A98-I122 HydrophobicContact CB-CG2 4.23Å; A98-V126 HydrophobicContact CB-CG1 3.98Å
99K94.2Very high91.6Very high88 Ų8878.5 Ų78.538%0.38340%0.396SS..Hα-helixtrans-64.6-38.8178.6-167.7175.9-176.6-90.50112.3R95 Q96 A97 E101 I102 E103R95-K99 WeakPolarHBondContact O-CB 3.49Å; R95-K99 PolarHBondContact O-N 3.28Å; Q96-K99 WeakPolarHBondContact O-CB 3.38Å; Q96-K99 PolarHBondContact O-N 2.99Å; A97-K99 VanDerWaalsContact C-N 3.28Å; A97-K99 PolarHBondContact O-N 2.95Å; K99-E101 VanDerWaalsContact C-N 3.33Å; K99-E101 PolarHBondContact O-N 2.73Å; K99-I102 PolarHBondContact O-N 2.74Å; K99-E103 WeakPolarHBondContact CE-OE1 3.33Å; K99-E103 IonicContact NZ-OE1 2.67Å; K99-E103 PolarHBondContact NZ-OE1 2.83Å; K99-E103 VanDerWaalsContact O-CG 3.29Å; K99-E103 WeakPolarHBondContact O-CG 3.36Å; K99-E103 PolarHBondContact O-N 2.7Å
100T94.9Very high91.4Very high58 Ų5880.2 Ų80.236%0.35640%0.403SS..Hα-helixtrans-65.3-36.7177.948.20000112.1Q96 A97 A98Q96-T100 PolarHBondContact O-N 2.65Å; Q96-T100 VanDerWaalsContact O-N 3.09Å; A97-T100 WeakPolarHBondContact CA-OG1 3.37Å; A97-T100 PolarHBondContact O-N 3.06Å; A97-T100 PolarHBondContact O-OG1 2.86Å; A98-T100 PolarHBondContact O-N 3.05Å
101E93.4Very high91.2Very high33 Ų3383.1 Ų83.115%0.15442%0.419CS..Hα-helixtrans-71.5-41.7174.1-61.4-50.6120.500112.2A97 A98 K99 E103 K104 I122 I125A97-E101 PolarHBondContact O-N 3.3Å; A98-E101 PolarHBondContact O-N 3.37Å; K99-E101 VanDerWaalsContact C-N 3.33Å; K99-E101 PolarHBondContact O-N 2.73Å; E101-E103 PolarHBondContact O-N 3.05Å; E101-K104 WeakPolarHBondContact O-CB 3.34Å; E101-K104 PolarHBondContact O-N 3.09Å; E101-K104 VanDerWaalsContact O-N 3.07Å; E101-K104 WeakPolarHBondContact OE1-CE 3.3Å; E101-K104 IonicContact OE1-NZ 3.96Å; E101-K104 PolarHBondContact OE1-NZ 2.87Å; E101-K104 WeakPolarHBondContact OE2-CD 3.46Å; E101-K104 WeakPolarHBondContact OE2-CE 3.47Å; E101-K104 IonicContact OE2-NZ 3.67Å; E101-K104 PolarHBondContact OE2-NZ 3.1Å; E101-I122 HydrophobicContact CB-CB 4.49Å; E101-I122 HydrophobicContact CB-CD1 4.14Å; E101-I122 HydrophobicContact CB-CG1 3.71Å; E101-I122 HydrophobicContact CB-CG2 4.14Å; E101-I125 HydrophobicContact CG-CG2 4.32Å
102I93.9Very high90.8Very high28 Ų2883.9 Ų83.914%0.14443%0.427CS..Hα-helixtrans-55.7-39174.4-76.7170.4000111.6A90 A98 K99 K104 L105 M107 I122A90-I102 HydrophobicContact CB-CD1 4.06Å; A98-I102 WeakPolarHBondContact O-CB 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.29Å; A98-I102 PolarHBondContact O-N 3.32Å; K99-I102 PolarHBondContact O-N 2.74Å; I102-K104 VanDerWaalsContact C-N 3.25Å; I102-K104 PolarHBondContact O-N 3.1Å; I102-L105 PolarHBondContact O-N 3.48Å; I102-M107 HydrophobicContact CB-CE 4.41Å; I102-M107 HydrophobicContact CG2-CE 3.63Å; I102-I122 HydrophobicContact CG1-CD1 3.91Å
103E92.9Very high90.7Very high118 Ų11887.5 Ų87.555%0.55143%0.426SS*.Hα-helixtrans-68.9-19.6-179.6-76.7171.5-177.300113.5K99 E101 L105K99-E103 WeakPolarHBondContact CE-OE1 3.33Å; K99-E103 IonicContact NZ-OE1 2.67Å; K99-E103 PolarHBondContact NZ-OE1 2.83Å; K99-E103 VanDerWaalsContact O-CG 3.29Å; K99-E103 WeakPolarHBondContact O-CG 3.36Å; K99-E103 PolarHBondContact O-N 2.7Å; E101-E103 PolarHBondContact O-N 3.05Å; E103-L105 VanDerWaalsContact C-N 3.3Å
104K92.1Very high90.9Very high137 Ų13782.9 Ų82.960%0.59641%0.409SS*.Hα-helixtrans-74.5-20.2174.5-61.2173.7-171.9170.30112.6E101 I102E101-K104 WeakPolarHBondContact O-CB 3.34Å; E101-K104 PolarHBondContact O-N 3.09Å; E101-K104 VanDerWaalsContact O-N 3.07Å; E101-K104 WeakPolarHBondContact OE1-CE 3.3Å; E101-K104 IonicContact OE1-NZ 3.96Å; E101-K104 PolarHBondContact OE1-NZ 2.87Å; E101-K104 WeakPolarHBondContact OE2-CD 3.46Å; E101-K104 WeakPolarHBondContact OE2-CE 3.47Å; E101-K104 IonicContact OE2-NZ 3.67Å; E101-K104 PolarHBondContact OE2-NZ 3.1Å; I102-K104 VanDerWaalsContact C-N 3.25Å; I102-K104 PolarHBondContact O-N 3.1Å
105L90.9Very high90.9Very high30 Ų3082.3 Ų82.316%0.15740%0.399CS..SBendtrans-84.8137.7-173.8-58.3-179.8000113.1I102 E103 M107 M110 E118 I122I102-L105 PolarHBondContact O-N 3.48Å; E103-L105 VanDerWaalsContact C-N 3.3Å; L105-M107 VanDerWaalsContact C-N 3.33Å; L105-M107 HydrophobicContact CB-CE 4.45Å; L105-M107 HydrophobicContact CB-CG 4.17Å; L105-M107 HydrophobicContact CD1-CE 4.15Å; L105-M107 PolarHBondContact O-N 2.94Å; L105-M107 VanDerWaalsContact O-N 3.15Å; L105-M110 HydrophobicContact CB-SD 4.45Å; L105-E118 HydrophobicContact CD1-CB 3.77Å; L105-E118 HydrophobicContact CD1-CG 4.35Å; L105-E118 HydrophobicContact CD2-CB 4.05Å; L105-E118 HydrophobicContact CD2-CG 3.8Å; L105-I122 HydrophobicContact CD1-CD1 3.81Å
106Q89.3Confident91Very high125 Ų12577.3 Ų77.358%0.58438%0.381SS*.  trans-88.966.2172.7-64.5-58.9-4000111.5K108 E109 M110Q106-K108 PolarHBondContact O-N 3.35Å; Q106-E109 PolarHBondContact O-N 2.92Å; Q106-M110 WeakPolarHBondContact O-CG 3.29Å; Q106-M110 PolarHBondContact O-N 3.42Å
107M83.3Confident91.1Very high57 Ų5773.9 Ų73.928%0.28136%0.364SS..THydrogen-bonded Turntrans-55-22.5-171.6-64-175165.400115.7I102 L105 E109 I115I102-M107 HydrophobicContact CB-CE 4.41Å; I102-M107 HydrophobicContact CG2-CE 3.63Å; L105-M107 VanDerWaalsContact C-N 3.33Å; L105-M107 HydrophobicContact CB-CE 4.45Å; L105-M107 HydrophobicContact CB-CG 4.17Å; L105-M107 HydrophobicContact CD1-CE 4.15Å; L105-M107 PolarHBondContact O-N 2.94Å; L105-M107 VanDerWaalsContact O-N 3.15Å; M107-E109 VanDerWaalsContact C-N 3.32Å; M107-I115 HydrophobicContact CG-CD1 4.38Å
108K82.8Confident91.1Very high165 Ų16573.1 Ų73.172%0.71735%0.352SS*.THydrogen-bonded Turntrans-74.4-23.4179.9-67.4-177.9179.8177.50113.5W87 Q106W87-K108 HydrophobicContact CZ3-CG 4.48Å; Q106-K108 PolarHBondContact O-N 3.35Å
109E87.3Confident91.2Very high168 Ų16875.4 Ų75.479%0.78537%0.365SS*.THydrogen-bonded Turntrans-107.5-10.8-173.8-60.3-177.1175.200112.1Q106 M107Q106-E109 PolarHBondContact O-N 2.92Å; M107-E109 VanDerWaalsContact C-N 3.32Å
110M89.4Confident91.2Very high57 Ų5771.2 Ų71.228%0.28135%0.347SS..SBendtrans-89146.4-176.7-64-17575.900112L105 Q106 D114 I115 E118L105-M110 HydrophobicContact CB-SD 4.45Å; Q106-M110 WeakPolarHBondContact O-CG 3.29Å; Q106-M110 PolarHBondContact O-N 3.42Å; M110-D114 HydrophobicContact CE-CB 3.78Å; M110-I115 HydrophobicContact CB-CD1 3.74Å; M110-I115 HydrophobicContact CB-CG1 3.84Å; M110-I115 HydrophobicContact CE-CD1 4.06Å; M110-I115 HydrophobicContact CG-CD1 4.28Å; M110-I115 HydrophobicContact SD-CD1 3.64Å; M110-E118 HydrophobicContact CE-CG 3.71Å
111T90.3Very high91.2Very high77 Ų7770.2 Ų70.247%0.47234%0.338SS..  trans-81.3158.417276.10000110.7R113 D114 I115T111-R113 PolarHBondContact O-N 3.38Å; T111-R113 VanDerWaalsContact O-N 3.12Å; T111-R113 PolarHBondContact OG1-N 2.99Å; T111-D114 WeakPolarHBondContact CB-OD2 3.46Å; T111-D114 PolarHBondContact N-OD2 3.31Å; T111-D114 PolarHBondContact O-N 3.47Å; T111-D114 VanDerWaalsContact O-N 3.1Å; T111-D114 PolarHBondContact OG1-N 3Å; T111-D114 PolarHBondContact OG1-OD2 2.81Å; T111-I115 WeakPolarHBondContact O-CG1 3.25Å; T111-I115 PolarHBondContact O-N 3.38Å
112C88.1Confident91.2Very high54 Ų5469.3 Ų69.337%0.36533%0.334SS..Hα-helixtrans-57.7-29176.4-154.40000112V116C112-V116 WeakPolarHBondContact O-CG2 3.3Å; C112-V116 PolarHBondContact O-N 2.94Å
113R88.8Confident91.3Very high124 Ų12471.1 Ų71.147%0.46834%0.343SS..Hα-helixtrans-72.7-37.1178-168.6164.6-171.4157.93.5112.9T111 E160T111-R113 PolarHBondContact O-N 3.38Å; T111-R113 VanDerWaalsContact O-N 3.12Å; T111-R113 PolarHBondContact OG1-N 2.99Å; R113-E160 IonicContact NH2-OE2 2.72Å
114D91.9Very high91.3Very high71 Ų7166.5 Ų66.538%0.3832%0.321SS..Hα-helixtrans-71.4-41.3175.9-52-43.4000110.3M110 T111 V116 K117 E118M110-D114 HydrophobicContact CE-CB 3.78Å; T111-D114 WeakPolarHBondContact CB-OD2 3.46Å; T111-D114 PolarHBondContact N-OD2 3.31Å; T111-D114 PolarHBondContact O-N 3.47Å; T111-D114 VanDerWaalsContact O-N 3.1Å; T111-D114 PolarHBondContact OG1-N 3Å; T111-D114 PolarHBondContact OG1-OD2 2.81Å; D114-V116 PolarHBondContact O-N 3.19Å; D114-K117 WeakPolarHBondContact O-CB 3.43Å; D114-K117 PolarHBondContact O-N 3.43Å; D114-E118 PolarHBondContact O-N 2.92Å
115I93.1Very high91.2Very high37 Ų3762.2 Ų62.219%0.1930%0.304CS..Hα-helixtrans-59.9-34.2177-68-66.1000112.1M107 M110 T111 K117 E118 V119M107-I115 HydrophobicContact CG-CD1 4.38Å; M110-I115 HydrophobicContact CB-CD1 3.74Å; M110-I115 HydrophobicContact CB-CG1 3.84Å; M110-I115 HydrophobicContact CE-CD1 4.06Å; M110-I115 HydrophobicContact CG-CD1 4.28Å; M110-I115 HydrophobicContact SD-CD1 3.64Å; T111-I115 WeakPolarHBondContact O-CG1 3.25Å; T111-I115 PolarHBondContact O-N 3.38Å; I115-K117 PolarHBondContact O-N 3.47Å; I115-E118 PolarHBondContact O-N 2.87Å; I115-V119 HydrophobicContact CG2-CG2 3.88Å; I115-V119 WeakPolarHBondContact O-CB 3.47Å; I115-V119 VanDerWaalsContact O-CG2 3.24Å; I115-V119 WeakPolarHBondContact O-CG2 3.42Å; I115-V119 PolarHBondContact O-N 3.45Å
116V94.4Very high91.2Very high10 Ų1062.4 Ų62.46%0.06131%0.306CS..Hα-helixtrans-58.2-38.5175.8162.20000111.9C112 D114 A120 L139 V153 I157 A161C112-V116 WeakPolarHBondContact O-CG2 3.3Å; C112-V116 PolarHBondContact O-N 2.94Å; D114-V116 PolarHBondContact O-N 3.19Å; V116-A120 PolarHBondContact O-N 3.01Å; V116-A120 VanDerWaalsContact O-N 3.15Å; V116-L139 HydrophobicContact CG1-CD1 4.09Å; V116-V153 HydrophobicContact CG1-CG1 4.42Å; V116-V153 HydrophobicContact CG2-CG2 4.3Å; V116-I157 HydrophobicContact CG1-CG2 3.97Å; V116-A161 HydrophobicContact CG1-CB 3.89Å
117K94.3Very high91.2Very high57 Ų5758.1 Ų58.125%0.24829%0.286CS..Hα-helixtrans-69.4-45.7177.3-63.7-176.7177.7-175.30111.4D114 I115 V119 A120 K121 E160 A161 Y164D114-K117 WeakPolarHBondContact O-CB 3.43Å; D114-K117 PolarHBondContact O-N 3.43Å; I115-K117 PolarHBondContact O-N 3.47Å; K117-V119 PolarHBondContact O-N 2.95Å; K117-A120 PolarHBondContact O-N 3.15Å; K117-K121 PolarHBondContact O-N 3.36Å; K117-E160 WeakPolarHBondContact CE-OE1 3.43Å; K117-E160 IonicContact NZ-OE1 3.47Å; K117-E160 PolarHBondContact NZ-OE1 3.35Å; K117-A161 HydrophobicContact CG-CB 4.44Å; K117-Y164 HydrophobicContact CB-CD1 3.68Å; K117-Y164 HydrophobicContact CB-CE1 3.89Å; K117-Y164 HydrophobicContact CB-CG 4.26Å
118E94.6Very high91.3Very high31 Ų3157.9 Ų57.915%0.14529%0.286CS..Hα-helixtrans-65-38.5178.2-64.7-53.6132.900112.4L105 M110 D114 I115 A120 K121 I122 Y164L105-E118 HydrophobicContact CD1-CB 3.77Å; L105-E118 HydrophobicContact CD1-CG 4.35Å; L105-E118 HydrophobicContact CD2-CB 4.05Å; L105-E118 HydrophobicContact CD2-CG 3.8Å; M110-E118 HydrophobicContact CE-CG 3.71Å; D114-E118 PolarHBondContact O-N 2.92Å; I115-E118 PolarHBondContact O-N 2.87Å; E118-A120 PolarHBondContact O-N 3.23Å; E118-K121 PolarHBondContact O-N 2.98Å; E118-I122 WeakPolarHBondContact O-CG1 3.42Å; E118-I122 PolarHBondContact O-N 2.9Å; E118-Y164 PolarHBondContact OE1-OH 2.83Å
119V95.1Very high91.1Very high58 Ų5856.7 Ų56.735%0.35228%0.283SS..Hα-helixtrans-62.5-44.6174.4170.40000110.5I115 K117 I122 I123 L139I115-V119 HydrophobicContact CG2-CG2 3.88Å; I115-V119 WeakPolarHBondContact O-CB 3.47Å; I115-V119 VanDerWaalsContact O-CG2 3.24Å; I115-V119 WeakPolarHBondContact O-CG2 3.42Å; I115-V119 PolarHBondContact O-N 3.45Å; K117-V119 PolarHBondContact O-N 2.95Å; V119-I122 PolarHBondContact O-N 2.83Å; V119-I123 VanDerWaalsContact O-CG1 3.3Å; V119-I123 WeakPolarHBondContact O-CG1 3.26Å; V119-I123 PolarHBondContact O-N 2.81Å; V119-L139 HydrophobicContact CG1-CD2 3.76Å
120A95.1Very high90.7Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-59.7-48.5174.800000110.9V116 K117 E118 I122 I123 Y124 L137 A161 A165V116-A120 PolarHBondContact O-N 3.01Å; V116-A120 VanDerWaalsContact O-N 3.15Å; K117-A120 PolarHBondContact O-N 3.15Å; E118-A120 PolarHBondContact O-N 3.23Å; A120-I122 PolarHBondContact O-N 3.43Å; A120-I123 PolarHBondContact O-N 3.02Å; A120-I123 VanDerWaalsContact O-N 3.16Å; A120-Y124 WeakPolarHBondContact O-CD2 3.4Å; A120-Y124 PolarHBondContact O-N 2.93Å; A120-L137 HydrophobicContact CB-CD2 3.82Å; A120-A161 HydrophobicContact CB-CB 3.81Å; A120-A165 HydrophobicContact CB-CB 4.12Å
121K94.5Very high90.3Very high38 Ų3860.6 Ų60.617%0.16531%0.307CS..Hα-helixtrans-52.5-51.5176.2176.2176.7174.5166.90111.5K117 E118 I123 Y124 I125 Y164 A165 E172K117-K121 PolarHBondContact O-N 3.36Å; E118-K121 PolarHBondContact O-N 2.98Å; K121-I123 VanDerWaalsContact C-N 3.31Å; K121-I123 PolarHBondContact O-N 3.1Å; K121-Y124 PolarHBondContact O-N 3.4Å; K121-I125 HydrophobicContact CD-CD1 4.28Å; K121-I125 VanDerWaalsContact CE-CD1 3.42Å; K121-I125 HydrophobicContact CG-CD1 3.75Å; K121-I125 HydrophobicContact CG-CG1 4.41Å; K121-I125 WeakPolarHBondContact O-CG1 3.23Å; K121-I125 PolarHBondContact O-N 2.93Å; K121-Y164 HydrophobicContact CB-CD1 4.41Å; K121-Y164 HydrophobicContact CB-CE1 4.09Å; K121-Y164 HydrophobicContact CD-CE1 4.32Å; K121-A165 HydrophobicContact CB-CB 4.49Å; K121-E172 WeakPolarHBondContact CE-OE1 3.31Å; K121-E172 IonicContact NZ-OE1 3.32Å; K121-E172 PolarHBondContact NZ-OE1 3.26Å
122I94.4Very high89.9Confident14 Ų1459.5 Ų59.57%0.07230%0.298CS..Hα-helixtrans-59.6-42.5-179.3-66.3166.4000111.3A98 E101 I102 L105 E118 V119 A120 Y124 I125 V126A98-I122 HydrophobicContact CB-CG2 4.23Å; E101-I122 HydrophobicContact CB-CB 4.49Å; E101-I122 HydrophobicContact CB-CD1 4.14Å; E101-I122 HydrophobicContact CB-CG1 3.71Å; E101-I122 HydrophobicContact CB-CG2 4.14Å; I102-I122 HydrophobicContact CG1-CD1 3.91Å; L105-I122 HydrophobicContact CD1-CD1 3.81Å; E118-I122 WeakPolarHBondContact O-CG1 3.42Å; E118-I122 PolarHBondContact O-N 2.9Å; V119-I122 PolarHBondContact O-N 2.83Å; A120-I122 PolarHBondContact O-N 3.43Å; I122-Y124 PolarHBondContact O-N 2.84Å; I122-I125 PolarHBondContact O-N 3.39Å; I122-V126 HydrophobicContact CG2-CG1 4.44Å; I122-V126 WeakPolarHBondContact O-CG1 3.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.27Å; I122-V126 PolarHBondContact O-N 2.97Å
123I94.2Very high89.8Confident66 Ų6665.9 Ų65.934%0.33832%0.32SS..Hα-helixtrans-63.7-41.1179.5-66.9-66.7000111.5V119 A120 K121 V126 H127 F135 L137V119-I123 VanDerWaalsContact O-CG1 3.3Å; V119-I123 WeakPolarHBondContact O-CG1 3.26Å; V119-I123 PolarHBondContact O-N 2.81Å; A120-I123 PolarHBondContact O-N 3.02Å; A120-I123 VanDerWaalsContact O-N 3.16Å; K121-I123 VanDerWaalsContact C-N 3.31Å; K121-I123 PolarHBondContact O-N 3.1Å; I123-V126 WeakPolarHBondContact O-CG2 3.33Å; I123-H127 VanDerWaalsContact O-CB 3.3Å; I123-H127 WeakPolarHBondContact O-CB 3.5Å; I123-H127 PolarHBondContact O-N 3.2Å; I123-F135 HydrophobicContact CG2-CD2 4.47Å; I123-F135 HydrophobicContact CG2-CE2 3.69Å; I123-F135 HydrophobicContact CG2-CZ 4.11Å; I123-L137 HydrophobicContact CB-CD1 4.15Å; I123-L137 HydrophobicContact CG1-CD1 4.2Å; I123-L137 HydrophobicContact CG2-CD1 3.86Å
124Y92.9Very high89.8Confident21 Ų2165 Ų658%0.08234%0.339CS..Hα-helixtrans-68.1-39.9176-84.4-93.8000112.2A120 K121 I122 V126 H127 F135 L137 E162 A165 K166A120-Y124 WeakPolarHBondContact O-CD2 3.4Å; A120-Y124 PolarHBondContact O-N 2.93Å; K121-Y124 PolarHBondContact O-N 3.4Å; I122-Y124 PolarHBondContact O-N 2.84Å; Y124-V126 PolarHBondContact O-N 3.26Å; Y124-H127 PolarHBondContact O-N 2.86Å; Y124-F135 HydrophobicContact CD1-CE1 4.32Å; Y124-F135 HydrophobicContact CD1-CZ 4.05Å; Y124-F135 HydrophobicContact CD2-CZ 4.05Å; Y124-F135 HydrophobicContact CE1-CE1 4.09Å; Y124-F135 AromaticContact CE1-CZ 3.83Å; Y124-F135 HydrophobicContact CE1-CZ 3.83Å; Y124-F135 HydrophobicContact CE2-CE2 4.45Å; Y124-F135 AromaticContact CE2-CZ 3.84Å; Y124-F135 HydrophobicContact CE2-CZ 3.84Å; Y124-F135 HydrophobicContact CG-CZ 4.18Å; Y124-F135 AromaticContact CZ-CZ 3.72Å; Y124-L137 HydrophobicContact CE2-CD2 4.21Å; Y124-E162 HydrophobicContact CE2-CG 4.2Å; Y124-A165 HydrophobicContact CD2-CB 3.48Å; Y124-A165 VanDerWaalsContact CD2-CB 3.48Å; Y124-A165 HydrophobicContact CE2-CB 4.06Å; Y124-A165 HydrophobicContact CG-CB 3.94Å; Y124-K166 HydrophobicContact CD1-CG 4.35Å; Y124-K166 HydrophobicContact CE1-CD 4.47Å; Y124-K166 HydrophobicContact CE1-CG 3.95Å; Y124-K166 VanDerWaalsContact OH-CE 3.23Å; Y124-K166 WeakPolarHBondContact OH-CE 3.4Å
125I91.3Very high89.7Confident46 Ų4665 Ų6524%0.23634%0.336CS..Hα-helixtrans-61.7-43.2176.7-71.6171.1000111.9E101 K121 I122 H127 L169E101-I125 HydrophobicContact CG-CG2 4.32Å; K121-I125 HydrophobicContact CD-CD1 4.28Å; K121-I125 VanDerWaalsContact CE-CD1 3.42Å; K121-I125 HydrophobicContact CG-CD1 3.75Å; K121-I125 HydrophobicContact CG-CG1 4.41Å; K121-I125 WeakPolarHBondContact O-CG1 3.23Å; K121-I125 PolarHBondContact O-N 2.93Å; I122-I125 PolarHBondContact O-N 3.39Å; I125-H127 VanDerWaalsContact C-N 3.26Å; I125-H127 PolarHBondContact O-N 3.12Å; I125-L169 HydrophobicContact CG1-CD1 4.13Å
126V91.1Very high89.7Confident34 Ų3470.2 Ų70.221%0.20636%0.359CS..Hα-helixtrans-81.6-8.3-177.9-57.30000113.3A94 A97 A98 I122 I123 Y124A94-V126 HydrophobicContact CB-CB 4.09Å; A97-V126 HydrophobicContact CB-CG1 4.17Å; A98-V126 HydrophobicContact CB-CG1 3.98Å; I122-V126 HydrophobicContact CG2-CG1 4.44Å; I122-V126 WeakPolarHBondContact O-CG1 3.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.27Å; I122-V126 PolarHBondContact O-N 2.97Å; I123-V126 WeakPolarHBondContact O-CG2 3.33Å; Y124-V126 PolarHBondContact O-N 3.26Å
127H89.7Confident89.7Confident36 Ų3670.2 Ų70.217%0.16736%0.359CS..  trans-84119.7176.7-177.465.5000110.1I123 Y124 I125 E129 D132 K133 F135I123-H127 VanDerWaalsContact O-CB 3.3Å; I123-H127 WeakPolarHBondContact O-CB 3.5Å; I123-H127 PolarHBondContact O-N 3.2Å; Y124-H127 PolarHBondContact O-N 2.86Å; I125-H127 VanDerWaalsContact C-N 3.26Å; I125-H127 PolarHBondContact O-N 3.12Å; H127-E129 PolarHBondContact O-N 3.26Å; H127-D132 VanDerWaalsContact CE1-CB 3.41Å; H127-D132 WeakPolarHBondContact CE1-CB 3.08Å; H127-K133 PolarHBondContact CE1-O 3.48Å; H127-K133 VanDerWaalsContact CE1-O 3.3Å; H127-F135 HydrophobicContact CB-CE1 4.2Å; H127-F135 AromaticContact CD2-CD1 3.54Å; H127-F135 AromaticContact CD2-CE1 3.48Å; H127-F135 VanDerWaalsContact CD2-CE1 3.48Å; H127-F135 WeakPolarHBondContact CD2-CE1 3.4Å; H127-F135 AromaticContact CE1-CD1 3.58Å; H127-F135 AromaticContact CG-CD1 3.74Å; H127-F135 AromaticContact CG-CE1 3.7Å; H127-F135 AromaticContact ND1-CD1 3.78Å; H127-F135 AromaticContact NE2-CD1 3.43Å; H127-F135 WeakPolarHBondContact NE2-CD1 3.21Å; H127-F135 AromaticContact NE2-CE1 3.87Å
128D83.9Confident89.7Confident52 Ų5274.9 Ų74.928%0.27838%0.382SS..  trans-89.997.8176.1-176.3-28.9000109V130 K131 D132D128-V130 PolarHBondContact O-N 2.82Å; D128-V130 VanDerWaalsContact O-N 3.12Å; D128-V130 WeakPolarHBondContact OD1-CB 3.47Å; D128-V130 PolarHBondContact OD1-N 3.36Å; D128-K131 HydrophobicContact CB-CB 4.28Å; D128-K131 PolarHBondContact O-N 3.47Å; D128-K131 VanDerWaalsContact O-N 3.17Å; D128-K131 PolarHBondContact OD1-N 2.95Å; D128-K131 WeakPolarHBondContact OD2-CD 3.37Å; D128-K131 WeakPolarHBondContact OD2-CG 3.46Å; D128-K131 IonicContact OD2-NZ 3.66Å; D128-K131 PolarHBondContact OD2-NZ 3.03Å; D128-D132 WeakPolarHBondContact O-CB 3.29Å; D128-D132 PolarHBondContact O-N 3.25Å
129E78.8Confident89.8Confident140 Ų14074.1 Ų74.165%0.65438%0.379SS*.THydrogen-bonded Turntrans-60.5-21.8-178.5-68.4-165.7166.900113.5H127H127-E129 PolarHBondContact O-N 3.26Å
130V79.3Confident89.8Confident139 Ų13974.6 Ų74.684%0.84239%0.385SS*.THydrogen-bonded Turntrans-80.7-36.5-180-176.80000110.9D128D128-V130 PolarHBondContact O-N 2.82Å; D128-V130 VanDerWaalsContact O-N 3.12Å; D128-V130 WeakPolarHBondContact OD1-CB 3.47Å; D128-V130 PolarHBondContact OD1-N 3.36Å
131K80.5Confident89.8Confident167 Ų16776 Ų7673%0.72639%0.39SS*.THydrogen-bonded Turntrans-100.1-34-174.7-63.8-166-165.193.80114.1D128D128-K131 HydrophobicContact CB-CB 4.28Å; D128-K131 PolarHBondContact O-N 3.47Å; D128-K131 VanDerWaalsContact O-N 3.17Å; D128-K131 PolarHBondContact OD1-N 2.95Å; D128-K131 WeakPolarHBondContact OD2-CD 3.37Å; D128-K131 WeakPolarHBondContact OD2-CG 3.46Å; D128-K131 IonicContact OD2-NZ 3.66Å; D128-K131 PolarHBondContact OD2-NZ 3.03Å
132D82.3Confident89.8Confident55 Ų5575.8 Ų75.829%0.29439%0.392SS..SBendtrans-95.3158.5-176-72.8-50000111.3K93 H127 D128K93-D132 IonicContact NZ-OD1 3.79Å; K93-D132 PolarHBondContact NZ-OD1 3.49Å; H127-D132 VanDerWaalsContact CE1-CB 3.41Å; H127-D132 WeakPolarHBondContact CE1-CB 3.08Å; D128-D132 WeakPolarHBondContact O-CB 3.29Å; D128-D132 PolarHBondContact O-N 3.25Å
133K85.9Confident89.8Confident187 Ų18775.5 Ų75.581%0.81339%0.392SS*.  trans-78.4159.1175.5-63.6179.9-178.7179.90109.4H127 F135H127-K133 PolarHBondContact CE1-O 3.48Å; H127-K133 VanDerWaalsContact CE1-O 3.3Å; K133-F135 PolarHBondContact O-N 2.82Å
134A88.4Confident89.6Confident106 Ų10679.4 Ų79.488%0.87641%0.409SS*.  trans-45.5132.8166.600000110.8
135F90.8Very high89.5Confident72 Ų7283.5 Ų83.532%0.31643%0.432SS..  trans-117.5159.1-177.277.5-80.5000111I123 Y124 H127 K133 L137I123-F135 HydrophobicContact CG2-CD2 4.47Å; I123-F135 HydrophobicContact CG2-CE2 3.69Å; I123-F135 HydrophobicContact CG2-CZ 4.11Å; Y124-F135 HydrophobicContact CD1-CE1 4.32Å; Y124-F135 HydrophobicContact CD1-CZ 4.05Å; Y124-F135 HydrophobicContact CD2-CZ 4.05Å; Y124-F135 HydrophobicContact CE1-CE1 4.09Å; Y124-F135 AromaticContact CE1-CZ 3.83Å; Y124-F135 HydrophobicContact CE1-CZ 3.83Å; Y124-F135 HydrophobicContact CE2-CE2 4.45Å; Y124-F135 AromaticContact CE2-CZ 3.84Å; Y124-F135 HydrophobicContact CE2-CZ 3.84Å; Y124-F135 HydrophobicContact CG-CZ 4.18Å; Y124-F135 AromaticContact CZ-CZ 3.72Å; H127-F135 HydrophobicContact CB-CE1 4.2Å; H127-F135 AromaticContact CD2-CD1 3.54Å; H127-F135 AromaticContact CD2-CE1 3.48Å; H127-F135 VanDerWaalsContact CD2-CE1 3.48Å; H127-F135 WeakPolarHBondContact CD2-CE1 3.4Å; H127-F135 AromaticContact CE1-CD1 3.58Å; H127-F135 AromaticContact CG-CD1 3.74Å; H127-F135 AromaticContact CG-CE1 3.7Å; H127-F135 AromaticContact ND1-CD1 3.78Å; H127-F135 AromaticContact NE2-CD1 3.43Å; H127-F135 WeakPolarHBondContact NE2-CD1 3.21Å; H127-F135 AromaticContact NE2-CE1 3.87Å; K133-F135 PolarHBondContact O-N 2.82Å; F135-L137 HydrophobicContact CE2-CB 4.04Å; F135-L137 HydrophobicContact CE2-CD1 4.42Å
136E92.9Very high89.6Confident145 Ų14581.5 Ų81.568%0.67842%0.422SS*.  trans-107.3131.3168.5-178.5172.8-178.400108.4
137L93.6Very high89.6Confident10 Ų1086.4 Ų86.45%0.05245%0.447CS..  trans-85.7114.4176.6-177.364.1000110.1A120 I123 Y124 F135 L139 R158 E162A120-L137 HydrophobicContact CB-CD2 3.82Å; I123-L137 HydrophobicContact CB-CD1 4.15Å; I123-L137 HydrophobicContact CG1-CD1 4.2Å; I123-L137 HydrophobicContact CG2-CD1 3.86Å; Y124-L137 HydrophobicContact CE2-CD2 4.21Å; F135-L137 HydrophobicContact CE2-CB 4.04Å; F135-L137 HydrophobicContact CE2-CD1 4.42Å; L137-L139 HydrophobicContact CD1-CD2 4.21Å; L137-L139 HydrophobicContact CD1-CG 4.34Å; L137-L139 HydrophobicContact CD2-CD1 3.91Å; L137-L139 HydrophobicContact CD2-CG 4.22Å; L137-L139 HydrophobicContact CG-CD1 4.23Å; L137-L139 HydrophobicContact CG-CD2 4.39Å; L137-L139 HydrophobicContact CG-CG 4Å; L137-R158 WeakPolarHBondContact O-CD 3.33Å; L137-E162 HydrophobicContact CD2-CG 3.74Å
138E95.3Very high89.7Confident156 Ų15685.9 Ų85.973%0.72945%0.452SS*.  trans-102.7127.4170.8-65.9-170.4144.500110.4
139L95.4Very high90.1Very high15 Ų1591 Ų918%0.07947%0.467CS..  trans-126.4140.3179.3-65.9170.7000110.2V116 V119 L137 V153 R158V116-L139 HydrophobicContact CG1-CD1 4.09Å; V119-L139 HydrophobicContact CG1-CD2 3.76Å; L137-L139 HydrophobicContact CD1-CD2 4.21Å; L137-L139 HydrophobicContact CD1-CG 4.34Å; L137-L139 HydrophobicContact CD2-CD1 3.91Å; L137-L139 HydrophobicContact CD2-CG 4.22Å; L137-L139 HydrophobicContact CG-CD1 4.23Å; L137-L139 HydrophobicContact CG-CD2 4.39Å; L137-L139 HydrophobicContact CG-CG 4Å; L139-V153 HydrophobicContact CB-CB 3.91Å; L139-V153 HydrophobicContact CB-CG2 3.75Å; L139-V153 PolarHBondContact O-N 3.23Å; L139-R158 HydrophobicContact CD1-CG 4.28Å
140S96.1Very high91Very high68 Ų6889.2 Ų89.248%0.47646%0.458SS..EExtended strand (participates in β ladder)trans-137.5149.4176.2-64.80000109.8H150 E151S140-H150 WeakPolarHBondContact CB-NE2 3.33Å; S140-E151 WeakPolarHBondContact CA-O 3.44Å
141W94.6Very high91.7Very high28 Ų2886 Ų8611%0.10643%0.434CS..EExtended strand (participates in β ladder)trans-126.6151.3177.359.211.9000111.6L145 T146 H150 E151 V153 P154 I157W141-L145 HydrophobicContact CD2-CD2 4.3Å; W141-L145 HydrophobicContact CE3-CD2 3.7Å; W141-L145 HydrophobicContact CH2-CD2 3.63Å; W141-L145 HydrophobicContact CH2-CG 4.46Å; W141-L145 HydrophobicContact CZ2-CD2 4.23Å; W141-L145 HydrophobicContact CZ3-CD2 3.35Å; W141-T146 HydrophobicContact CD2-CG2 4.18Å; W141-T146 HydrophobicContact CG-CG2 3.94Å; W141-T146 HydrophobicContact CZ2-CG2 4.41Å; W141-H150 WeakPolarHBondContact O-CA 3.4Å; W141-E151 VanDerWaalsContact CD1-O 3.23Å; W141-E151 PolarHBondContact N-O 3.36Å; W141-E151 PolarHBondContact O-N 3.32Å; W141-V153 HydrophobicContact CB-CG2 4.26Å; W141-V153 HydrophobicContact CD2-CG2 4.13Å; W141-V153 HydrophobicContact CE3-CG2 4.23Å; W141-V153 HydrophobicContact CG-CG2 4.12Å; W141-P154 HydrophobicContact CH2-CG 4.07Å; W141-P154 VanDerWaalsContact CZ2-CD 3.44Å; W141-P154 HydrophobicContact CZ2-CG 3.92Å; W141-I157 HydrophobicContact CH2-CD1 3.59Å; W141-I157 HydrophobicContact CZ3-CD1 3.69Å
142V94.8Very high92.5Very high34 Ų3483.9 Ų83.921%0.20643%0.429CS..  trans-149.7117.9171.457.90000107.2H150V142-H150 HydrophobicContact CB-CB 4.16Å; V142-H150 HydrophobicContact CG2-CB 4.3Å
143G93.3Very high93.1Very high8 Ų881.5 Ų81.58%0.08242%0.417CS..SBendtrans-174.8-170.2-171.600000112.4L145 T146 N147 G148G143-L145 PolarHBondContact O-N 3.31Å; G143-T146 PolarHBondContact N-OG1 3.42Å; G143-T146 PolarHBondContact O-N 3.15Å; G143-T146 PolarHBondContact O-OG1 2.92Å; G143-T146 VanDerWaalsContact O-OG1 3.12Å; G143-N147 PolarHBondContact O-N 3.03Å; G143-G148 PolarHBondContact O-N 2.75Å
144E91.7Very high93.5Very high149 Ų14974.7 Ų74.770%0.69639%0.392SS*.G310 helixtrans-58.9-39173.4-168.9172.5-158.200111.4Y66 T146 N147Y66-E144 HydrophobicContact CE1-CB 3.96Å; E144-T146 PolarHBondContact O-N 3.46Å; E144-T146 VanDerWaalsContact O-N 3.09Å; E144-N147 PolarHBondContact O-N 3.39Å
145L91Very high93.8Very high107 Ų10775.8 Ų75.856%0.5638%0.377SS*.G310 helixtrans-54.9-31178.9-175.962.9000113.4W141 G143W141-L145 HydrophobicContact CD2-CD2 4.3Å; W141-L145 HydrophobicContact CE3-CD2 3.7Å; W141-L145 HydrophobicContact CH2-CD2 3.63Å; W141-L145 HydrophobicContact CH2-CG 4.46Å; W141-L145 HydrophobicContact CZ2-CD2 4.23Å; W141-L145 HydrophobicContact CZ3-CD2 3.35Å; G143-L145 PolarHBondContact O-N 3.31Å
146T91.9Very high94Very high4 Ų477.6 Ų77.63%0.02539%0.39CS..G310 helixtrans-10613.5-179.4570000113W141 G143 E144 G148 R149 E151W141-T146 HydrophobicContact CD2-CG2 4.18Å; W141-T146 HydrophobicContact CG-CG2 3.94Å; W141-T146 HydrophobicContact CZ2-CG2 4.41Å; G143-T146 PolarHBondContact N-OG1 3.42Å; G143-T146 PolarHBondContact O-N 3.15Å; G143-T146 PolarHBondContact O-OG1 2.92Å; G143-T146 VanDerWaalsContact O-OG1 3.12Å; E144-T146 PolarHBondContact O-N 3.46Å; E144-T146 VanDerWaalsContact O-N 3.09Å; T146-G148 PolarHBondContact O-N 3.12Å; T146-R149 WeakPolarHBondContact CB-O 3.47Å; T146-R149 WeakPolarHBondContact O-CB 3.46Å; T146-R149 PolarHBondContact O-N 3.05Å; T146-R149 PolarHBondContact OG1-O 3.45Å; T146-E151 HydrophobicContact CG2-CB 4.4Å
147N92.3Very high94Very high136 Ų13671.4 Ų71.473%0.72736%0.361SS*.THydrogen-bonded Turntrans53.238.2-173.7-56.2-66.1000112.5G143 E144 R149G143-N147 PolarHBondContact O-N 3.03Å; E144-N147 PolarHBondContact O-N 3.39Å; N147-R149 VanDerWaalsContact C-N 3.26Å; N147-R149 PolarHBondContact O-N 3.06Å
148G90.6Very high94.1Very high26 Ų2673.3 Ų73.327%0.26837%0.368SS..THydrogen-bonded Turntrans75.16.4-178.200000115.2Y66 G143 T146Y66-G148 WeakPolarHBondContact O-CA 3.4Å; G143-G148 PolarHBondContact O-N 2.75Å; T146-G148 PolarHBondContact O-N 3.12Å
149R93.8Very high94Very high158 Ų15870.6 Ų70.660%0.59636%0.355SS*.  trans-85.4135.7172.9-65.3-163.8-69.2-127.3-4.2111.2T146 N147 E151T146-R149 WeakPolarHBondContact CB-O 3.47Å; T146-R149 WeakPolarHBondContact O-CB 3.46Å; T146-R149 PolarHBondContact O-N 3.05Å; T146-R149 PolarHBondContact OG1-O 3.45Å; N147-R149 VanDerWaalsContact C-N 3.26Å; N147-R149 PolarHBondContact O-N 3.06Å; R149-E151 HydrophobicContact CB-CG 4.18Å; R149-E151 IonicContact NE-OE1 2.7Å; R149-E151 PolarHBondContact NE-OE1 3.02Å; R149-E151 IonicContact NH2-OE1 2.74Å; R149-E151 PolarHBondContact O-N 2.83Å
150H95.7Very high94Very high103 Ų10373.5 Ų73.548%0.47737%0.368SS..  trans-80.3117.8170.9172.7-79.9000109.4S140 W141 V142S140-H150 WeakPolarHBondContact CB-NE2 3.33Å; W141-H150 WeakPolarHBondContact O-CA 3.4Å; V142-H150 HydrophobicContact CB-CB 4.16Å; V142-H150 HydrophobicContact CG2-CB 4.3Å
151E95.7Very high93.9Very high73 Ų7370.3 Ų70.334%0.34135%0.346SS..EExtended strand (participates in β ladder)trans-132.2154-175.5-65.1174.3-175.300110S140 W141 T146 R149S140-E151 WeakPolarHBondContact CA-O 3.44Å; W141-E151 VanDerWaalsContact CD1-O 3.23Å; W141-E151 PolarHBondContact N-O 3.36Å; W141-E151 PolarHBondContact O-N 3.32Å; T146-E151 HydrophobicContact CG2-CB 4.4Å; R149-E151 HydrophobicContact CB-CG 4.18Å; R149-E151 IonicContact NE-OE1 2.7Å; R149-E151 PolarHBondContact NE-OE1 3.02Å; R149-E151 IonicContact NH2-OE1 2.74Å; R149-E151 PolarHBondContact O-N 2.83Å
152I95.9Very high93.8Very high121 Ų12170.8 Ų70.862%0.62135%0.35SS*.EExtended strand (participates in β ladder)trans-68.3142.7170.4-168170.8000109
153V95.3Very high93.8Very high6 Ų675.3 Ų75.34%0.03637%0.366CS..PPolyproline II helixtrans-65.7131.7174.6173.90000109V116 L139 W141 I157 R158V116-V153 HydrophobicContact CG1-CG1 4.42Å; V116-V153 HydrophobicContact CG2-CG2 4.3Å; L139-V153 HydrophobicContact CB-CB 3.91Å; L139-V153 HydrophobicContact CB-CG2 3.75Å; L139-V153 PolarHBondContact O-N 3.23Å; W141-V153 HydrophobicContact CB-CG2 4.26Å; W141-V153 HydrophobicContact CD2-CG2 4.13Å; W141-V153 HydrophobicContact CE3-CG2 4.23Å; W141-V153 HydrophobicContact CG-CG2 4.12Å; V153-I157 HydrophobicContact CG1-CB 3.75Å; V153-I157 HydrophobicContact CG1-CG2 3.75Å; V153-R158 HydrophobicContact CG1-CB 4.46Å
154P95.1Very high93.9Very high44 Ų4478.5 Ų78.529%0.28638%0.376SS..PPolyproline II helixtrans-53.1145175.7-27.934.9000112.6W141 D156 I157 R158W141-P154 HydrophobicContact CH2-CG 4.07Å; W141-P154 VanDerWaalsContact CZ2-CD 3.44Å; W141-P154 HydrophobicContact CZ2-CG 3.92Å; P154-D156 VanDerWaalsContact C-N 3.25Å; P154-D156 WeakPolarHBondContact CB-OD1 3.37Å; P154-D156 PolarHBondContact O-N 2.86Å; P154-I157 HydrophobicContact CB-CD1 4.5Å; P154-I157 HydrophobicContact CB-CG1 4.43Å; P154-I157 HydrophobicContact CG-CD1 4.25Å; P154-I157 PolarHBondContact O-N 3.46Å; P154-R158 PolarHBondContact O-N 3.38Å
155K93.9Very high93.9Very high128 Ų12871.5 Ų71.556%0.55734%0.344SS*.Hα-helixtrans-56.9-41.1-173.4179.6172.8171.7178.10112.3R158 E159K155-R158 PolarHBondContact O-N 2.9Å; K155-E159 WeakPolarHBondContact CE-OE1 3.5Å; K155-E159 HydrophobicContact CG-CG 4.39Å; K155-E159 IonicContact NZ-OE1 3.78Å; K155-E159 WeakPolarHBondContact O-CB 3.49Å; K155-E159 WeakPolarHBondContact O-CG 3.35Å; K155-E159 PolarHBondContact O-N 3.1Å
156D94.6Very high93.9Very high110 Ų11071 Ų7159%0.58834%0.338SS*.Hα-helixtrans-57.8-45.1175.833.9-57.9000112.6P154 E160P154-D156 VanDerWaalsContact C-N 3.25Å; P154-D156 WeakPolarHBondContact CB-OD1 3.37Å; P154-D156 PolarHBondContact O-N 2.86Å; D156-E160 WeakPolarHBondContact O-CB 3.41Å; D156-E160 PolarHBondContact O-N 3.12Å; D156-E160 VanDerWaalsContact O-N 3.08Å
157I94Very high93.9Very high15 Ų1575.2 Ų75.28%0.07736%0.357CS..Hα-helixtrans-72.8-37.2177.4-58.6-179000111V116 W141 V153 P154 E160 A161V116-I157 HydrophobicContact CG1-CG2 3.97Å; W141-I157 HydrophobicContact CH2-CD1 3.59Å; W141-I157 HydrophobicContact CZ3-CD1 3.69Å; V153-I157 HydrophobicContact CG1-CB 3.75Å; V153-I157 HydrophobicContact CG1-CG2 3.75Å; P154-I157 HydrophobicContact CB-CD1 4.5Å; P154-I157 HydrophobicContact CB-CG1 4.43Å; P154-I157 HydrophobicContact CG-CD1 4.25Å; P154-I157 PolarHBondContact O-N 3.46Å; I157-E160 PolarHBondContact O-N 2.85Å; I157-A161 WeakPolarHBondContact O-CB 3.42Å; I157-A161 PolarHBondContact O-N 3.42Å
158R94.1Very high93.8Very high50 Ų5069.2 Ų69.219%0.18933%0.326CS..Hα-helixtrans-62.5-47.2175.4178.2-177.264175.95.1111.3L137 L139 V153 P154 K155 E160 A161 E162L137-R158 WeakPolarHBondContact O-CD 3.33Å; L139-R158 HydrophobicContact CD1-CG 4.28Å; V153-R158 HydrophobicContact CG1-CB 4.46Å; P154-R158 PolarHBondContact O-N 3.38Å; K155-R158 PolarHBondContact O-N 2.9Å; R158-E160 VanDerWaalsContact C-N 3.32Å; R158-E160 PolarHBondContact O-N 3.18Å; R158-A161 PolarHBondContact O-N 3.45Å; R158-E162 WeakPolarHBondContact O-CG 3.29Å; R158-E162 PolarHBondContact O-N 3.46Å
159E93.9Very high93.6Very high99 Ų9970 Ų7046%0.46332%0.323SS..Hα-helixtrans-63.6-38.1178.1-74.7176.4-178.600111.8K155 E162 K163K155-E159 WeakPolarHBondContact CE-OE1 3.5Å; K155-E159 HydrophobicContact CG-CG 4.39Å; K155-E159 IonicContact NZ-OE1 3.78Å; K155-E159 WeakPolarHBondContact O-CB 3.49Å; K155-E159 WeakPolarHBondContact O-CG 3.35Å; K155-E159 PolarHBondContact O-N 3.1Å; E159-E162 PolarHBondContact O-N 2.94Å; E159-K163 WeakPolarHBondContact O-CB 3.43Å; E159-K163 PolarHBondContact O-N 3.28Å
160E94.7Very high93.1Very high76 Ų7668.7 Ų68.736%0.35532%0.322SS..Hα-helixtrans-60.6-45.6172.1-171.9-170.4159.400111.6R113 K117 D156 I157 R158 K163 Y164R113-E160 IonicContact NH2-OE2 2.72Å; K117-E160 WeakPolarHBondContact CE-OE1 3.43Å; K117-E160 IonicContact NZ-OE1 3.47Å; K117-E160 PolarHBondContact NZ-OE1 3.35Å; D156-E160 WeakPolarHBondContact O-CB 3.41Å; D156-E160 PolarHBondContact O-N 3.12Å; D156-E160 VanDerWaalsContact O-N 3.08Å; I157-E160 PolarHBondContact O-N 2.85Å; R158-E160 VanDerWaalsContact C-N 3.32Å; R158-E160 PolarHBondContact O-N 3.18Å; E160-K163 PolarHBondContact O-N 3.34Å; E160-Y164 PolarHBondContact O-N 3.06Å
161A94.2Very high92.3Very high1 Ų170.1 Ų70.11%0.00833%0.329CS..Hα-helixtrans-67.5-38.9179.200000112.7V116 K117 A120 I157 R158 Y164 A165V116-A161 HydrophobicContact CG1-CB 3.89Å; K117-A161 HydrophobicContact CG-CB 4.44Å; A120-A161 HydrophobicContact CB-CB 3.81Å; I157-A161 WeakPolarHBondContact O-CB 3.42Å; I157-A161 PolarHBondContact O-N 3.42Å; R158-A161 PolarHBondContact O-N 3.45Å; A161-Y164 PolarHBondContact O-N 2.95Å; A161-A165 WeakPolarHBondContact O-CB 3.17Å; A161-A165 PolarHBondContact O-N 3.27Å
162E93.8Very high91.1Very high39 Ų3970.1 Ų70.118%0.18233%0.329CS..Hα-helixtrans-64.6-39.9173.4-75.6-177.3-154.400112.1Y124 L137 R158 E159 A165 K166Y124-E162 HydrophobicContact CE2-CG 4.2Å; L137-E162 HydrophobicContact CD2-CG 3.74Å; R158-E162 WeakPolarHBondContact O-CG 3.29Å; R158-E162 PolarHBondContact O-N 3.46Å; E159-E162 PolarHBondContact O-N 2.94Å; E162-A165 PolarHBondContact O-N 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.2Å; E162-K166 PolarHBondContact O-N 3.42Å
163K94.4Very high89.9Confident128 Ų12869.1 Ų69.156%0.55733%0.325SS*.Hα-helixtrans-62.1-47.7176.1-177.3179.7170.3-175.80110.6E159 E160 A165 K166 E167E159-K163 WeakPolarHBondContact O-CB 3.43Å; E159-K163 PolarHBondContact O-N 3.28Å; E160-K163 PolarHBondContact O-N 3.34Å; K163-A165 PolarHBondContact O-N 3.38Å; K163-K166 PolarHBondContact O-N 3.25Å; K163-E167 WeakPolarHBondContact CE-OE1 3.48Å; K163-E167 IonicContact NZ-OE1 2.69Å; K163-E167 WeakPolarHBondContact O-CG 3.49Å; K163-E167 PolarHBondContact O-N 2.67Å
164Y94.5Very high88.6Confident75 Ų7575.2 Ų75.229%0.29435%0.353SS..Hα-helixtrans-56.5-48.3175.1172.9-101.5000111.9K117 E118 K121 E160 A161 K166 E167 S168K117-Y164 HydrophobicContact CB-CD1 3.68Å; K117-Y164 HydrophobicContact CB-CE1 3.89Å; K117-Y164 HydrophobicContact CB-CG 4.26Å; E118-Y164 PolarHBondContact OE1-OH 2.83Å; K121-Y164 HydrophobicContact CB-CD1 4.41Å; K121-Y164 HydrophobicContact CB-CE1 4.09Å; K121-Y164 HydrophobicContact CD-CE1 4.32Å; E160-Y164 PolarHBondContact O-N 3.06Å; A161-Y164 PolarHBondContact O-N 2.95Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.02Å; Y164-E167 PolarHBondContact O-N 3.47Å; Y164-S168 PolarHBondContact O-N 3.16Å; Y164-S168 PolarHBondContact O-OG 2.65Å
165A92.6Very high87.1Confident2 Ų275.7 Ų75.72%0.01736%0.357CS..Hα-helixtrans-58.8-42.6179.800000112.8A120 K121 Y124 A161 E162 K163 L169A120-A165 HydrophobicContact CB-CB 4.12Å; K121-A165 HydrophobicContact CB-CB 4.49Å; Y124-A165 HydrophobicContact CD2-CB 3.48Å; Y124-A165 VanDerWaalsContact CD2-CB 3.48Å; Y124-A165 HydrophobicContact CE2-CB 4.06Å; Y124-A165 HydrophobicContact CG-CB 3.94Å; A161-A165 WeakPolarHBondContact O-CB 3.17Å; A161-A165 PolarHBondContact O-N 3.27Å; E162-A165 PolarHBondContact O-N 3.46Å; K163-A165 PolarHBondContact O-N 3.38Å; A165-L169 PolarHBondContact O-N 3.21Å; A165-L169 VanDerWaalsContact O-N 3.12Å
166K90.9Very high85.4Confident98 Ų9875 Ų7543%0.42636%0.359SS..Hα-helixtrans-70.5-32.7178.1-71.8172.2-177.8164.50113.3Y124 E162 K163 Y164 K170Y124-K166 HydrophobicContact CD1-CG 4.35Å; Y124-K166 HydrophobicContact CE1-CD 4.47Å; Y124-K166 HydrophobicContact CE1-CG 3.95Å; Y124-K166 VanDerWaalsContact OH-CE 3.23Å; Y124-K166 WeakPolarHBondContact OH-CE 3.4Å; E162-K166 WeakPolarHBondContact O-CG 3.2Å; E162-K166 PolarHBondContact O-N 3.42Å; K163-K166 PolarHBondContact O-N 3.25Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.02Å; K166-K170 WeakPolarHBondContact O-CG 3.47Å
167E92.8Very high83.7Confident92 Ų9275.9 Ų75.943%0.4337%0.365SS..Hα-helixtrans-70.2-46174.9-74.2172.9173.700110.3K163 Y164 L169 K170 E171K163-E167 WeakPolarHBondContact CE-OE1 3.48Å; K163-E167 IonicContact NZ-OE1 2.69Å; K163-E167 WeakPolarHBondContact O-CG 3.49Å; K163-E167 PolarHBondContact O-N 2.67Å; Y164-E167 PolarHBondContact O-N 3.47Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.32Å; E167-K170 PolarHBondContact O-N 2.89Å; E167-E171 PolarHBondContact O-N 3.13Å
168S89.4Confident81.9Confident10 Ų1082.2 Ų82.27%0.0740%0.399CS..Hα-helixtrans-61.4-34.2176.9-61.40000113.9Y164 E172Y164-S168 PolarHBondContact O-N 3.16Å; Y164-S168 PolarHBondContact O-OG 2.65Å; S168-E172 PolarHBondContact O-N 2.88Å
169L85.8Confident79.8Confident42 Ų4286.6 Ų86.622%0.2243%0.425CS..Hα-helixtrans-67.3-38.2178.7-162.269.5000111.6I125 A165 E167 E172 D173I125-L169 HydrophobicContact CG1-CD1 4.13Å; A165-L169 PolarHBondContact O-N 3.21Å; A165-L169 VanDerWaalsContact O-N 3.12Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.32Å; L169-E172 PolarHBondContact O-N 3.2Å; L169-D173 PolarHBondContact O-N 3.39Å; L169-D173 VanDerWaalsContact O-N 3.1Å
170K83.8Confident77.4Confident130 Ų13092.7 Ų92.757%0.56546%0.457SS*.Hα-helixtrans-68.2-39.4177.3-68.1173.6-178.6-178.80112.7K166 E167 E172 D173 E174K166-K170 WeakPolarHBondContact O-CG 3.47Å; E167-K170 PolarHBondContact O-N 2.89Å; K170-E172 VanDerWaalsContact C-N 3.3Å; K170-E172 PolarHBondContact O-N 3.02Å; K170-D173 PolarHBondContact O-N 3.41Å; K170-E174 WeakPolarHBondContact O-CB 3.45Å; K170-E174 WeakPolarHBondContact O-CG 3.26Å; K170-E174 PolarHBondContact O-N 2.53Å
171E78.7Confident76.5Confident134 Ų13493.5 Ų93.563%0.62646%0.462SS*.Hα-helixtrans-64.7-36.4178-69.7178.7176.700111.6E167 S175E167-E171 PolarHBondContact O-N 3.13Å; E171-S175 WeakPolarHBondContact O-CB 3.27Å; E171-S175 PolarHBondContact O-N 3.05Å; E171-S175 VanDerWaalsContact O-N 3.15Å; E171-S175 PolarHBondContact O-OG 3Å
172E70.8Confident75.6Confident72 Ų7298.4 Ų98.434%0.33649%0.486SS..Hα-helixtrans-67.9-46.2174.5-76.2175.7-164.900110.9K121 S168 L169 K170 E174 S175 D176K121-E172 WeakPolarHBondContact CE-OE1 3.31Å; K121-E172 IonicContact NZ-OE1 3.32Å; K121-E172 PolarHBondContact NZ-OE1 3.26Å; S168-E172 PolarHBondContact O-N 2.88Å; L169-E172 PolarHBondContact O-N 3.2Å; K170-E172 VanDerWaalsContact C-N 3.3Å; K170-E172 PolarHBondContact O-N 3.02Å; E172-E174 PolarHBondContact O-N 3.29Å; E172-S175 PolarHBondContact O-N 3.04Å; E172-S175 PolarHBondContact O-OG 3.39Å; E172-D176 PolarHBondContact O-N 2.93Å
173D71Confident74.6Confident101 Ų101101.7 Ų101.754%0.5450%0.502SS..Hα-helixtrans-61.2-42.7177.4-70.5-26.3000112.8L169 K170 S175 D176 D177L169-D173 PolarHBondContact O-N 3.39Å; L169-D173 VanDerWaalsContact O-N 3.1Å; K170-D173 PolarHBondContact O-N 3.41Å; D173-S175 VanDerWaalsContact C-N 3.33Å; D173-S175 PolarHBondContact O-N 3.29Å; D173-D176 PolarHBondContact O-N 2.9Å; D173-D177 PolarHBondContact O-N 2.97Å
174E68.4Low73.4Confident133 Ų133100.1 Ų100.162%0.62150%0.499SS*.Hα-helixtrans-67.7-32.5177.9-73.6177.3-173.600112.2K170 E172 D178K170-E174 WeakPolarHBondContact O-CB 3.45Å; K170-E174 WeakPolarHBondContact O-CG 3.26Å; K170-E174 PolarHBondContact O-N 2.53Å; E172-E174 PolarHBondContact O-N 3.29Å; E174-D178 PolarHBondContact O-N 3.43Å
175S62.3Low72.1Confident55 Ų55101.7 Ų101.739%0.38551%0.512SS..Hα-helixtrans-74.2-25.1179.273.90000114.2E171 E172 D173 N179E171-S175 WeakPolarHBondContact O-CB 3.27Å; E171-S175 PolarHBondContact O-N 3.05Å; E171-S175 VanDerWaalsContact O-N 3.15Å; E171-S175 PolarHBondContact O-OG 3Å; E172-S175 PolarHBondContact O-N 3.04Å; E172-S175 PolarHBondContact O-OG 3.39Å; D173-S175 VanDerWaalsContact C-N 3.33Å; D173-S175 PolarHBondContact O-N 3.29Å; S175-N179 PolarHBondContact O-ND2 3.12Å
176D58.9Low70.8Confident112 Ų112108.3 Ų108.360%0.59955%0.545SS*.Hα-helixtrans-80.7-32.1175.7-81.9-12.5000111.7E172 D173E172-D176 PolarHBondContact O-N 2.93Å; D173-D176 PolarHBondContact O-N 2.9Å
177D59.8Low69.3Low130 Ų130109.1 Ų109.170%0.69555%0.554SS**Hα-helixtrans-72.7-33.6175.7-96-7.2000112.9D173 N179D173-D177 PolarHBondContact O-N 2.97Å; D177-N179 VanDerWaalsContact C-N 3.27Å; D177-N179 PolarHBondContact O-N 2.9Å
178D55.4Low67.5Low148 Ų148110.4 Ų110.479%0.79156%0.563SS**THydrogen-bonded Turntrans-75.3-11.3178-91-13.8000113.9E174E174-D178 PolarHBondContact O-N 3.43Å
179N48.9Very low65.7Low141 Ų141118.8 Ų118.875%0.75460%0.604SS**THydrogen-bonded Turntrans-102.57.7179.5-79.6-51.2000114.3S175 D177S175-N179 PolarHBondContact O-ND2 3.12Å; D177-N179 VanDerWaalsContact C-N 3.27Å; D177-N179 PolarHBondContact O-N 2.9Å
180M44.6Very low63.9Low227 Ų227125.7 Ų125.7100%1.11864%0.639SS**  trans-104.20171.8-74.4-155.6-17400113.1

Retrieved 180 of 180 residues in 638 ms (Link to these results)

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