A0A077ZF22_TRITR Loading...

Methionine aminopeptidase

AlphaFold DB , UniProt , Accession A0A077ZF22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 274 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
1M92.4Very high97.4Very high58 Ų5842 Ų4229%0.28621%0.21SC..  0-44.40-70.7175.4169.300110.3R3 A4 G5 V189 G190 V216 L265M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.13Å; M1-A4 WeakPolarHBondContact O-CA 3.13Å; M1-A4 VanDerWaalsContact O-CB 3.31Å; M1-A4 WeakPolarHBondContact O-CB 3.25Å; M1-A4 PolarHBondContact O-N 3.42Å; M1-G5 PolarHBondContact O-N 3.32Å; M1-V189 HydrophobicContact CE-CG1 4Å; M1-G190 WeakPolarHBondContact CE-O 3.46Å; M1-V216 HydrophobicContact CE-CG1 4.4Å; M1-V216 HydrophobicContact CE-CG2 4.49Å; M1-V216 HydrophobicContact SD-CB 4.28Å; M1-V216 HydrophobicContact SD-CG1 3.8Å; M1-V216 HydrophobicContact SD-CG2 3.86Å; M1-L265 HydrophobicContact CB-CD1 3.91Å; M1-L265 HydrophobicContact SD-CD1 4.26Å
2D94.4Very high97.6Very high101 Ų10138.5 Ų38.554%0.5419%0.192SC..Hα-helixtrans-46.1-49.7176.4-52.22.2000113.3A4 G5 D6 L265D2-A4 VanDerWaalsContact C-N 3.27Å; D2-A4 PolarHBondContact O-N 3.04Å; D2-G5 CarbonylContact O-C 3.58Å; D2-G5 WeakPolarHBondContact O-CA 3.49Å; D2-G5 PolarHBondContact O-N 2.85Å; D2-D6 VanDerWaalsContact O-CG 3.3Å; D2-D6 PolarHBondContact O-N 3.17Å; D2-L265 WeakPolarHBondContact OD1-CD2 3.15Å
3R97.2Very high97.6Very high131 Ų13141.2 Ų41.249%0.49421%0.206SC..Hα-helixtrans-60-32.7177.6-66176.864.9-139.6-0.4114.3M1 F7 E91 P92M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.13Å; R3-F7 PolarHBondContact O-N 3.39Å; R3-E91 HydrophobicContact CB-CB 4.01Å; R3-E91 IonicContact CZ-OE2 3.81Å; R3-E91 IonicContact NE-OE2 2.73Å; R3-E91 IonicContact NH1-OE2 2.66Å; R3-E91 PolarHBondContact NH1-OE2 2.95Å; R3-P92 PolarHBondContact NH2-O 3.01Å; R3-P92 WeakPolarHBondContact O-CD 3.42Å
4A97.8Very high97.7Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-74.5-43174.300000110.1M1 D2 F7 L8 E91 A123M1-A4 WeakPolarHBondContact O-CA 3.13Å; M1-A4 VanDerWaalsContact O-CB 3.31Å; M1-A4 WeakPolarHBondContact O-CB 3.25Å; M1-A4 PolarHBondContact O-N 3.42Å; D2-A4 VanDerWaalsContact C-N 3.27Å; D2-A4 PolarHBondContact O-N 3.04Å; A4-F7 PolarHBondContact O-N 2.99Å; A4-L8 WeakPolarHBondContact O-CB 3.35Å; A4-L8 PolarHBondContact O-N 2.88Å; A4-E91 HydrophobicContact CB-CB 4.01Å; A4-A123 VanDerWaalsContact C-CB 3.42Å; A4-A123 HydrophobicContact CB-CB 3.66Å
5G98.2Very high97.8Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-62.5-45.8178.900000112.8M1 D2 F7 L8 A9 L265M1-G5 PolarHBondContact O-N 3.32Å; D2-G5 CarbonylContact O-C 3.58Å; D2-G5 WeakPolarHBondContact O-CA 3.49Å; D2-G5 PolarHBondContact O-N 2.85Å; G5-F7 VanDerWaalsContact C-N 3.31Å; G5-F7 PolarHBondContact O-N 3.03Å; G5-L8 PolarHBondContact O-N 2.71Å; G5-A9 VanDerWaalsContact O-CB 3.25Å; G5-A9 WeakPolarHBondContact O-CB 3.41Å; G5-A9 PolarHBondContact O-N 3.39Å; G5-L265 VanDerWaalsContact CA-O 3.29Å; G5-L265 WeakPolarHBondContact CA-O 3.25Å
6D98.4Very high97.7Very high110 Ų11039.2 Ų39.259%0.58820%0.197SC*.Hα-helixtrans-57.7-43.8174.8-70.3-21.2000111.5D2 S10D2-D6 VanDerWaalsContact O-CG 3.3Å; D2-D6 PolarHBondContact O-N 3.17Å; D6-S10 PolarHBondContact O-N 3.35Å; D6-S10 VanDerWaalsContact O-N 3.09Å
7F98.7Very high97.7Very high16 Ų1644.6 Ų44.67%0.0722%0.221CC..Hα-helixtrans-66.9-49.2178.4177.6-106.2000111R3 A4 G5 A9 S10 V11 R35 A39 V41 L89R3-F7 PolarHBondContact O-N 3.39Å; A4-F7 PolarHBondContact O-N 2.99Å; G5-F7 VanDerWaalsContact C-N 3.31Å; G5-F7 PolarHBondContact O-N 3.03Å; F7-A9 PolarHBondContact O-N 3.22Å; F7-S10 WeakPolarHBondContact O-CB 3.28Å; F7-S10 PolarHBondContact O-N 2.99Å; F7-S10 VanDerWaalsContact O-N 3.13Å; F7-S10 PolarHBondContact O-OG 3.49Å; F7-V11 HydrophobicContact CD1-CG2 4.44Å; F7-V11 HydrophobicContact CE1-CG2 4.01Å; F7-V11 HydrophobicContact CE2-CG2 4.45Å; F7-V11 HydrophobicContact CZ-CG2 4.01Å; F7-V11 WeakPolarHBondContact O-CG2 3.39Å; F7-V11 PolarHBondContact O-N 3.48Å; F7-V11 VanDerWaalsContact O-N 3.12Å; F7-R35 HydrophobicContact CZ-CB 3.98Å; F7-R35 WeakPolarHBondContact CZ-O 3.31Å; F7-A39 HydrophobicContact CD2-CB 3.83Å; F7-A39 HydrophobicContact CE2-CB 3.21Å; F7-A39 HydrophobicContact CZ-CB 3.64Å; F7-V41 HydrophobicContact CD1-CB 4.06Å; F7-V41 HydrophobicContact CD1-CG1 3.8Å; F7-V41 HydrophobicContact CD1-CG2 3.67Å; F7-V41 HydrophobicContact CD2-CG2 4.48Å; F7-V41 HydrophobicContact CE1-CB 3.7Å; F7-V41 HydrophobicContact CE1-CG1 3.61Å; F7-V41 HydrophobicContact CE1-CG2 3.72Å; F7-V41 HydrophobicContact CG-CG2 4.05Å; F7-V41 HydrophobicContact CZ-CB 4.28Å; F7-V41 HydrophobicContact CZ-CG2 4.2Å; F7-L89 HydrophobicContact CD1-CD1 3.91Å; F7-L89 HydrophobicContact CE1-CD1 3.83Å
8L98.7Very high97.7Very high0 Ų044.9 Ų44.90%022%0.224CC..Hα-helixtrans-59.4-46179-173.6156.1000111.2A4 G5 S10 V11 H12 M87 L89 A123 T266A4-L8 WeakPolarHBondContact O-CB 3.35Å; A4-L8 PolarHBondContact O-N 2.88Å; G5-L8 PolarHBondContact O-N 2.71Å; L8-S10 VanDerWaalsContact C-N 3.26Å; L8-S10 PolarHBondContact O-N 2.88Å; L8-V11 WeakPolarHBondContact O-CA 3.45Å; L8-V11 VanDerWaalsContact O-CB 3.29Å; L8-V11 WeakPolarHBondContact O-CB 3.42Å; L8-V11 PolarHBondContact O-N 3.48Å; L8-H12 VanDerWaalsContact CD2-CD2 3.47Å; L8-H12 WeakPolarHBondContact CD2-CD2 3.48Å; L8-H12 PolarHBondContact O-N 2.96Å; L8-H12 VanDerWaalsContact O-N 3.09Å; L8-M87 HydrophobicContact CD1-CG 3.95Å; L8-M87 VanDerWaalsContact CD1-O 3.24Å; L8-M87 WeakPolarHBondContact CD1-O 3.5Å; L8-M87 HydrophobicContact CG-CG 4.04Å; L8-M87 HydrophobicContact CG-SD 4.42Å; L8-L89 HydrophobicContact CB-CD1 4.1Å; L8-L89 HydrophobicContact CD1-CB 4.37Å; L8-L89 HydrophobicContact CD1-CD1 4.32Å; L8-L89 HydrophobicContact CD1-CG 4.25Å; L8-L89 HydrophobicContact CG-CD1 4.1Å; L8-A123 HydrophobicContact CB-CB 4.08Å; L8-A123 HydrophobicContact CD1-CB 3.84Å; L8-A123 VanDerWaalsContact CD1-O 3.25Å; L8-A123 WeakPolarHBondContact CD1-O 3.31Å; L8-T266 HydrophobicContact CD2-CG2 4.19Å
9A98.7Very high97.8Very high4 Ų443 Ų433%0.03321%0.214CC..Hα-helixtrans-57.6-41.1176.100000111.2G5 F7 V11 H12 I13 S267 Q268G5-A9 VanDerWaalsContact O-CB 3.25Å; G5-A9 WeakPolarHBondContact O-CB 3.41Å; G5-A9 PolarHBondContact O-N 3.39Å; F7-A9 PolarHBondContact O-N 3.22Å; A9-V11 PolarHBondContact O-N 3.14Å; A9-H12 PolarHBondContact O-N 3.45Å; A9-I13 VanDerWaalsContact O-CG1 3.27Å; A9-I13 WeakPolarHBondContact O-CG1 3.39Å; A9-I13 PolarHBondContact O-N 3.5Å; A9-S267 VanDerWaalsContact CB-O 3.26Å; A9-S267 WeakPolarHBondContact CB-O 3.43Å; A9-Q268 HydrophobicContact CB-CG 4.07Å
10S98.6Very high97.8Very high42 Ų4246.3 Ų46.329%0.29423%0.227SC..Hα-helixtrans-62.1-30.1174.387.20000113.4D6 F7 L8 G14D6-S10 PolarHBondContact O-N 3.35Å; D6-S10 VanDerWaalsContact O-N 3.09Å; F7-S10 WeakPolarHBondContact O-CB 3.28Å; F7-S10 PolarHBondContact O-N 2.99Å; F7-S10 VanDerWaalsContact O-N 3.13Å; F7-S10 PolarHBondContact O-OG 3.49Å; L8-S10 VanDerWaalsContact C-N 3.26Å; L8-S10 PolarHBondContact O-N 2.88Å; S10-G14 PolarHBondContact O-N 2.88Å; S10-G14 VanDerWaalsContact O-N 3.14Å
11V98.9Very high97.8Very high0 Ų046.7 Ų46.70%023%0.233CC..Hα-helixtrans-70.2-49.5175.71780000109.9F7 L8 A9 I13 G14 L15 Y31 V32 R35 M87 L89F7-V11 HydrophobicContact CD1-CG2 4.44Å; F7-V11 HydrophobicContact CE1-CG2 4.01Å; F7-V11 HydrophobicContact CE2-CG2 4.45Å; F7-V11 HydrophobicContact CZ-CG2 4.01Å; F7-V11 WeakPolarHBondContact O-CG2 3.39Å; F7-V11 PolarHBondContact O-N 3.48Å; F7-V11 VanDerWaalsContact O-N 3.12Å; L8-V11 WeakPolarHBondContact O-CA 3.45Å; L8-V11 VanDerWaalsContact O-CB 3.29Å; L8-V11 WeakPolarHBondContact O-CB 3.42Å; L8-V11 PolarHBondContact O-N 3.48Å; A9-V11 PolarHBondContact O-N 3.14Å; V11-I13 VanDerWaalsContact C-N 3.33Å; V11-I13 PolarHBondContact O-N 2.94Å; V11-G14 PolarHBondContact O-N 3.48Å; V11-G14 VanDerWaalsContact O-N 3.14Å; V11-L15 HydrophobicContact CG1-CD1 4.3Å; V11-L15 HydrophobicContact CG1-CG 4.45Å; V11-L15 WeakPolarHBondContact O-CG 3.37Å; V11-L15 PolarHBondContact O-N 2.9Å; V11-Y31 HydrophobicContact CG1-CD1 4.31Å; V11-Y31 HydrophobicContact CG1-CE1 3.85Å; V11-V32 HydrophobicContact CG1-CB 4.49Å; V11-V32 HydrophobicContact CG1-CG1 4.45Å; V11-V32 HydrophobicContact CG1-CG2 3.66Å; V11-R35 HydrophobicContact CG2-CB 4.29Å; V11-M87 HydrophobicContact CB-SD 4.04Å; V11-M87 HydrophobicContact CG1-CE 3.87Å; V11-M87 HydrophobicContact CG1-SD 3.51Å; V11-M87 VanDerWaalsContact CG1-SD 3.51Å; V11-L89 HydrophobicContact CG2-CD1 4.35Å
12H98.8Very high98.1Very high0 Ų046.5 Ų46.50%025%0.246CC..Hα-helixtrans-59.3-41.2175.4-74.9-40.4000113L8 A9 G14 L15 R16 V85 S125 Y129L8-H12 VanDerWaalsContact CD2-CD2 3.47Å; L8-H12 WeakPolarHBondContact CD2-CD2 3.48Å; L8-H12 PolarHBondContact O-N 2.96Å; L8-H12 VanDerWaalsContact O-N 3.09Å; A9-H12 PolarHBondContact O-N 3.45Å; H12-G14 VanDerWaalsContact C-N 3.31Å; H12-G14 PolarHBondContact O-N 3.32Å; H12-L15 PolarHBondContact O-N 3.47Å; H12-R16 PolarHBondContact O-N 3.27Å; H12-V85 PolarHBondContact CE1-O 3.12Å; H12-S125 PolarHBondContact NE2-O 3.17Å; H12-S125 PolarHBondContact NE2-OG 3.39Å; H12-Y129 WeakPolarHBondContact CA-OH 3.14Å; H12-Y129 WeakPolarHBondContact CB-OH 3.46Å; H12-Y129 PolarHBondContact ND1-OH 2.87Å
13I98.5Very high98.3Very high73 Ų7342.5 Ų42.537%0.37423%0.225SC..Hα-helixtrans-58.3-45174.8-68.5163.9000111A9 V11 R16 Q268A9-I13 VanDerWaalsContact O-CG1 3.27Å; A9-I13 WeakPolarHBondContact O-CG1 3.39Å; A9-I13 PolarHBondContact O-N 3.5Å; V11-I13 VanDerWaalsContact C-N 3.33Å; V11-I13 PolarHBondContact O-N 2.94Å; I13-R16 WeakPolarHBondContact O-CB 3.48Å; I13-R16 PolarHBondContact O-N 3.26Å; I13-Q268 HydrophobicContact CD1-CB 4.28Å; I13-Q268 HydrophobicContact CG1-CB 4.2Å
14G98.5Very high98.4Very high19 Ų1937.7 Ų37.720%0.19621%0.209CC..Hα-helixtrans-69.4-32.9176.600000113.8S10 V11 H12 R16 E17 L18 Y31S10-G14 PolarHBondContact O-N 2.88Å; S10-G14 VanDerWaalsContact O-N 3.14Å; V11-G14 PolarHBondContact O-N 3.48Å; V11-G14 VanDerWaalsContact O-N 3.14Å; H12-G14 VanDerWaalsContact C-N 3.31Å; H12-G14 PolarHBondContact O-N 3.32Å; G14-R16 VanDerWaalsContact C-N 3.33Å; G14-R16 PolarHBondContact O-N 2.85Å; G14-E17 PolarHBondContact O-N 3.31Å; G14-L18 PolarHBondContact O-N 3.18Å; G14-Y31 WeakPolarHBondContact CA-OH 3.43Å
15L98.8Very high98.5Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-65-35.7174.5-74.4178.8000112.2V11 H12 E17 L18 I19 V28 Y31 V32 V85 M87 Y129V11-L15 HydrophobicContact CG1-CD1 4.3Å; V11-L15 HydrophobicContact CG1-CG 4.45Å; V11-L15 WeakPolarHBondContact O-CG 3.37Å; V11-L15 PolarHBondContact O-N 2.9Å; H12-L15 PolarHBondContact O-N 3.47Å; L15-E17 PolarHBondContact O-N 2.96Å; L15-L18 HydrophobicContact CD2-CD2 4.18Å; L15-L18 PolarHBondContact O-N 2.69Å; L15-I19 HydrophobicContact CB-CD1 3.94Å; L15-I19 HydrophobicContact CD2-CD1 4.48Å; L15-I19 WeakPolarHBondContact O-CB 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.27Å; L15-I19 PolarHBondContact O-N 3.05Å; L15-V28 HydrophobicContact CD1-CG1 4.26Å; L15-V28 HydrophobicContact CD2-CB 4.37Å; L15-V28 HydrophobicContact CD2-CG1 3.82Å; L15-V28 HydrophobicContact CD2-CG2 4.38Å; L15-Y31 HydrophobicContact CD2-CD1 3.45Å; L15-Y31 VanDerWaalsContact CD2-CD1 3.45Å; L15-Y31 HydrophobicContact CD2-CE1 3.96Å; L15-Y31 HydrophobicContact CD2-CG 4.22Å; L15-Y31 HydrophobicContact CG-CD1 3.95Å; L15-Y31 HydrophobicContact CG-CE1 3.98Å; L15-V32 HydrophobicContact CD1-CG2 4.34Å; L15-V85 HydrophobicContact CD1-CB 4.21Å; L15-V85 HydrophobicContact CD1-CG1 3.83Å; L15-V85 HydrophobicContact CD1-CG2 4.48Å; L15-M87 HydrophobicContact CD1-CE 3.77Å; L15-Y129 HydrophobicContact CB-CE1 4.05Å
16R97.3Very high98.5Very high73 Ų7340 Ų4028%0.27522%0.217SC..Hα-helixtrans-58.3-34.4175.3-167.4-176.4-70.699.52.7112.5H12 I13 G14 Y129 Y274H12-R16 PolarHBondContact O-N 3.27Å; I13-R16 WeakPolarHBondContact O-CB 3.48Å; I13-R16 PolarHBondContact O-N 3.26Å; G14-R16 VanDerWaalsContact C-N 3.33Å; G14-R16 PolarHBondContact O-N 2.85Å; R16-Y129 HydrophobicContact CB-CE1 4.17Å; R16-Y274 PolarHBondContact NE-OXT 3.18Å; R16-Y274 PolarHBondContact NH2-OXT 3.4Å
17E96.6Very high98.5Very high131 Ų13138.5 Ų38.561%0.61221%0.207SC*.Hα-helixtrans-77.4-28.9176.3-65.6-56.713500113.2G14 L15 K20G14-E17 PolarHBondContact O-N 3.31Å; L15-E17 PolarHBondContact O-N 2.96Å; E17-K20 WeakPolarHBondContact O-CE 3.44Å; E17-K20 PolarHBondContact O-NZ 3.28Å
18L98.2Very high98.5Very high51 Ų5137.8 Ų37.827%0.26720%0.204SC..Hα-helixtrans-84.1-45.2-175.6-174.967.1000112.6G14 L15 K20 L23 Y31G14-L18 PolarHBondContact O-N 3.18Å; L15-L18 HydrophobicContact CD2-CD2 4.18Å; L15-L18 PolarHBondContact O-N 2.69Å; L18-K20 PolarHBondContact O-N 2.73Å; L18-K20 VanDerWaalsContact O-N 3.1Å; L18-L23 HydrophobicContact CD1-CD1 3.77Å; L18-L23 HydrophobicContact CD2-CD2 4.38Å; L18-L23 HydrophobicContact CG-CD1 3.91Å; L18-L23 HydrophobicContact CG-CD2 3.93Å; L18-Y31 HydrophobicContact CD2-CD2 4.4Å; L18-Y31 HydrophobicContact CD2-CG 4.12Å
19I98.8Very high98.5Very high8 Ų837.8 Ų37.84%0.04120%0.204CC..  trans-72.6103.7-170.4-66.8166.4000110.4L15 L23 V28 L77 L83 V85 Y129 V131L15-I19 HydrophobicContact CB-CD1 3.94Å; L15-I19 HydrophobicContact CD2-CD1 4.48Å; L15-I19 WeakPolarHBondContact O-CB 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.27Å; L15-I19 PolarHBondContact O-N 3.05Å; I19-L23 HydrophobicContact CG1-CD2 4.37Å; I19-V28 HydrophobicContact CD1-CG2 4.34Å; I19-V28 HydrophobicContact CG1-CG2 4.08Å; I19-L77 HydrophobicContact CG2-CD1 3.99Å; I19-L83 HydrophobicContact CD1-CD2 4.07Å; I19-L83 HydrophobicContact CG1-CD2 4.38Å; I19-L83 HydrophobicContact CG2-CD2 4.25Å; I19-V85 HydrophobicContact CD1-CG2 4.08Å; I19-Y129 HydrophobicContact CD1-CD1 3.77Å; I19-Y129 HydrophobicContact CD1-CD2 3.58Å; I19-Y129 HydrophobicContact CD1-CE1 4.08Å; I19-Y129 HydrophobicContact CD1-CE2 3.93Å; I19-Y129 HydrophobicContact CD1-CG 3.52Å; I19-Y129 HydrophobicContact CG2-CG 4.45Å; I19-V131 HydrophobicContact CG2-CG2 3.99Å
20K98.6Very high98.5Very high109 Ų10942.6 Ų42.647%0.47423%0.225SC..  trans-146.4159.9-177.9-69.7176.1178.1142.70110E17 L18 G22 L23E17-K20 WeakPolarHBondContact O-CE 3.44Å; E17-K20 PolarHBondContact O-NZ 3.28Å; L18-K20 PolarHBondContact O-N 2.73Å; L18-K20 VanDerWaalsContact O-N 3.1Å; K20-G22 PolarHBondContact O-N 2.85Å; K20-L23 WeakPolarHBondContact O-CB 3.21Å; K20-L23 PolarHBondContact O-N 3.3Å
21P98.8Very high98.6Very high55 Ų5542.2 Ų42.236%0.35722%0.218SC..THydrogen-bonded Turntrans-52.9133.6172.6-20.727.8000111.1E79 V131P21-E79 WeakPolarHBondContact CG-OE2 2.98Å; P21-V131 HydrophobicContact CB-CG1 4.31Å; P21-V131 HydrophobicContact CG-CG1 3.98Å
22G98.7Very high98.6Very high53 Ų5342.2 Ų42.255%0.54622%0.218SC..THydrogen-bonded Turntrans92.2-11.2-179.200000115.6K20 L77K20-G22 PolarHBondContact O-N 2.85Å; G22-L77 PolarHBondContact N-O 3.36Å
23L98.7Very high98.6Very high18 Ų1843.5 Ų43.59%0.09422%0.223CC..  trans-66138.8170.8-173.481.9000109.7L18 I19 K20 M25 E27 V28 I76 L77L18-L23 HydrophobicContact CD1-CD1 3.77Å; L18-L23 HydrophobicContact CD2-CD2 4.38Å; L18-L23 HydrophobicContact CG-CD1 3.91Å; L18-L23 HydrophobicContact CG-CD2 3.93Å; I19-L23 HydrophobicContact CG1-CD2 4.37Å; K20-L23 WeakPolarHBondContact O-CB 3.21Å; K20-L23 PolarHBondContact O-N 3.3Å; L23-M25 PolarHBondContact O-N 3.47Å; L23-E27 HydrophobicContact CD1-CB 3.99Å; L23-E27 HydrophobicContact CD1-CG 4.37Å; L23-E27 WeakPolarHBondContact CD1-OE1 3.29Å; L23-E27 HydrophobicContact CG-CB 4.26Å; L23-V28 HydrophobicContact CD2-CG2 4.14Å; L23-I76 WeakPolarHBondContact O-CA 3.41Å; L23-L77 HydrophobicContact CB-CD1 4.26Å; L23-L77 HydrophobicContact CD2-CD1 4.13Å; L23-L77 PolarHBondContact O-N 3.45Å
24D98.9Very high98.6Very high30 Ų3045.5 Ų45.516%0.1623%0.226CC..BIsolated β-bridgetrans-75.7121.8163.8-170.6-12.8000108.6W26 E27 H74 Y75 I76D24-W26 PolarHBondContact O-N 2.92Å; D24-W26 PolarHBondContact OD1-N 2.97Å; D24-W26 VanDerWaalsContact OD1-N 3.14Å; D24-E27 HydrophobicContact CB-CG 4.19Å; D24-E27 PolarHBondContact N-OE1 3.36Å; D24-E27 WeakPolarHBondContact O-CB 3.48Å; D24-E27 WeakPolarHBondContact O-CG 3.46Å; D24-E27 PolarHBondContact O-N 3.43Å; D24-H74 VanDerWaalsContact OD1-CA 3.27Å; D24-H74 WeakPolarHBondContact OD1-CA 3.37Å; D24-H74 IonicContact OD1-ND1 2.62Å; D24-H74 IonicContact OD2-CE1 3.51Å; D24-H74 IonicContact OD2-CG 3.63Å; D24-H74 IonicContact OD2-ND1 3.25Å; D24-H74 PolarHBondContact OD2-ND1 2.85Å; D24-Y75 PolarHBondContact OD1-N 3.01Å; D24-I76 HydrophobicContact CB-CD1 3.83Å
25M98.8Very high98.6Very high0 Ų047.5 Ų47.50%023%0.227CC..THydrogen-bonded Turntrans-52.5-27.8178-175.5-164.8-54.500112.2L23 E27 V28 C61 L63 R73 Y75 L77 L83L23-M25 PolarHBondContact O-N 3.47Å; M25-E27 PolarHBondContact O-N 2.87Å; M25-V28 VanDerWaalsContact O-CB 3.25Å; M25-V28 WeakPolarHBondContact O-CB 3.14Å; M25-V28 PolarHBondContact O-N 3.27Å; M25-C61 HydrophobicContact CG-CB 4.21Å; M25-C61 HydrophobicContact SD-CB 3.71Å; M25-L63 HydrophobicContact CE-CB 4.15Å; M25-L63 HydrophobicContact CE-CD1 4.07Å; M25-L63 HydrophobicContact CE-CD2 3.98Å; M25-L63 HydrophobicContact CE-CG 4.29Å; M25-R73 HydrophobicContact SD-CG 4.17Å; M25-Y75 WeakPolarHBondContact CB-O 3.35Å; M25-Y75 HydrophobicContact CE-CD1 3.68Å; M25-Y75 HydrophobicContact CE-CE1 4.49Å; M25-Y75 HydrophobicContact CE-CG 4.08Å; M25-Y75 PolarHBondContact N-O 2.82Å; M25-L77 HydrophobicContact CB-CD2 4.13Å; M25-L77 HydrophobicContact CB-CG 4.33Å; M25-L77 HydrophobicContact CE-CD2 3.87Å; M25-L77 HydrophobicContact CG-CD2 4.47Å; M25-L83 HydrophobicContact CE-CD1 4.25Å; M25-L83 HydrophobicContact CG-CD1 4.39Å; M25-L83 HydrophobicContact SD-CD1 4.25Å
26W98.8Very high98.6Very high47 Ų4747.5 Ų47.518%0.17823%0.227CC..Hα-helixtrans-58-30172.9-172-105.3000113.6D24 V28 E29 E30 Y57 P72 R73 H74D24-W26 PolarHBondContact O-N 2.92Å; D24-W26 PolarHBondContact OD1-N 2.97Å; D24-W26 VanDerWaalsContact OD1-N 3.14Å; W26-V28 PolarHBondContact O-N 3.27Å; W26-E29 HydrophobicContact CE3-CB 4.44Å; W26-E29 HydrophobicContact CH2-CG 4.21Å; W26-E29 HydrophobicContact CZ3-CG 4.24Å; W26-E29 PolarHBondContact O-N 3.13Å; W26-E29 VanDerWaalsContact O-N 3.12Å; W26-E30 VanDerWaalsContact CD1-CD 3.49Å; W26-E30 PolarHBondContact NE1-OE1 3.4Å; W26-E30 VanDerWaalsContact NE1-OE1 3.08Å; W26-E30 PolarHBondContact O-N 3.49Å; W26-Y57 HydrophobicContact CH2-CD1 4.17Å; W26-Y57 AromaticContact CH2-CE1 3.76Å; W26-Y57 HydrophobicContact CH2-CE1 3.76Å; W26-Y57 HydrophobicContact CZ3-CD1 4.24Å; W26-Y57 AromaticContact CZ3-CE1 3.86Å; W26-Y57 HydrophobicContact CZ3-CE1 3.86Å; W26-P72 HydrophobicContact CE3-CB 4.41Å; W26-P72 HydrophobicContact CZ3-CB 4.47Å; W26-P72 HydrophobicContact CZ3-CG 4.45Å; W26-R73 PolarHBondContact N-O 3.46Å; W26-H74 AromaticContact CD1-CE1 3.49Å; W26-H74 VanDerWaalsContact CD1-CE1 3.49Å; W26-H74 AromaticContact CG-CE1 3.52Å; W26-H74 AromaticContact CG-ND1 3.89Å; W26-H74 AromaticContact CG-NE2 3.95Å
27E98.8Very high98.7Very high80 Ų8047.5 Ų47.537%0.37423%0.229SC..Hα-helixtrans-64.4-22.1176.4-62.3178.7-101.800112.6L23 D24 M25 Y31L23-E27 HydrophobicContact CD1-CB 3.99Å; L23-E27 HydrophobicContact CD1-CG 4.37Å; L23-E27 WeakPolarHBondContact CD1-OE1 3.29Å; L23-E27 HydrophobicContact CG-CB 4.26Å; D24-E27 HydrophobicContact CB-CG 4.19Å; D24-E27 PolarHBondContact N-OE1 3.36Å; D24-E27 WeakPolarHBondContact O-CB 3.48Å; D24-E27 WeakPolarHBondContact O-CG 3.46Å; D24-E27 PolarHBondContact O-N 3.43Å; M25-E27 PolarHBondContact O-N 2.87Å; E27-Y31 WeakPolarHBondContact O-CB 3.47Å; E27-Y31 PolarHBondContact O-N 3.21Å
28V98.9Very high98.8Very high0 Ų046.4 Ų46.40%022%0.224CC..Hα-helixtrans-64.5-50.9171174.60000109.9L15 I19 L23 M25 W26 E30 Y31 V32 L83 V85L15-V28 HydrophobicContact CD1-CG1 4.26Å; L15-V28 HydrophobicContact CD2-CB 4.37Å; L15-V28 HydrophobicContact CD2-CG1 3.82Å; L15-V28 HydrophobicContact CD2-CG2 4.38Å; I19-V28 HydrophobicContact CD1-CG2 4.34Å; I19-V28 HydrophobicContact CG1-CG2 4.08Å; L23-V28 HydrophobicContact CD2-CG2 4.14Å; M25-V28 VanDerWaalsContact O-CB 3.25Å; M25-V28 WeakPolarHBondContact O-CB 3.14Å; M25-V28 PolarHBondContact O-N 3.27Å; W26-V28 PolarHBondContact O-N 3.27Å; V28-E30 PolarHBondContact O-N 3.4Å; V28-Y31 WeakPolarHBondContact O-CB 3.31Å; V28-Y31 PolarHBondContact O-N 2.86Å; V28-V32 WeakPolarHBondContact O-CG2 3.49Å; V28-V32 PolarHBondContact O-N 2.89Å; V28-L83 HydrophobicContact CG2-CD2 4.39Å; V28-V85 HydrophobicContact CG1-CB 4.5Å; V28-V85 HydrophobicContact CG1-CG1 3.75Å; V28-V85 HydrophobicContact CG1-CG2 3.9Å
29E98.8Very high98.8Very high0 Ų045.3 Ų45.30%022%0.223CC..Hα-helixtrans-61.6-44.3177.3175.668177.100110.8W26 Y31 V32 R33 Y57 A58 T59 P72W26-E29 HydrophobicContact CE3-CB 4.44Å; W26-E29 HydrophobicContact CH2-CG 4.21Å; W26-E29 HydrophobicContact CZ3-CG 4.24Å; W26-E29 PolarHBondContact O-N 3.13Å; W26-E29 VanDerWaalsContact O-N 3.12Å; E29-Y31 PolarHBondContact O-N 3.19Å; E29-V32 PolarHBondContact O-N 2.92Å; E29-R33 HydrophobicContact CG-CG 4.38Å; E29-R33 VanDerWaalsContact O-CB 3.32Å; E29-R33 WeakPolarHBondContact O-CB 3.27Å; E29-R33 WeakPolarHBondContact O-CG 3.44Å; E29-R33 PolarHBondContact O-N 3.45Å; E29-R33 IonicContact OE1-CZ 2.95Å; E29-R33 VanDerWaalsContact OE1-CZ 3.24Å; E29-R33 IonicContact OE1-NE 2.8Å; E29-R33 PolarHBondContact OE1-NE 3.23Å; E29-R33 IonicContact OE1-NH2 3.6Å; E29-R33 PolarHBondContact OE1-NH2 3.15Å; E29-Y57 WeakPolarHBondContact OE1-CA 3.39Å; E29-Y57 WeakPolarHBondContact OE1-CB 3.3Å; E29-A58 PolarHBondContact OE1-N 3.45Å; E29-A58 PolarHBondContact OE2-N 3.25Å; E29-T59 WeakPolarHBondContact OE2-CB 3.37Å; E29-T59 PolarHBondContact OE2-N 3.21Å; E29-T59 PolarHBondContact OE2-OG1 2.86Å; E29-P72 HydrophobicContact CB-CB 3.74Å; E29-P72 HydrophobicContact CB-CG 3.94Å; E29-P72 HydrophobicContact CG-CB 4.34Å; E29-P72 HydrophobicContact CG-CG 4Å
30E98.8Very high98.8Very high105 Ų10545.2 Ų45.249%0.49122%0.222SC..Hα-helixtrans-63-40.6177.1-67.8-173.8153.200112.6W26 V28 R34W26-E30 VanDerWaalsContact CD1-CD 3.49Å; W26-E30 PolarHBondContact NE1-OE1 3.4Å; W26-E30 VanDerWaalsContact NE1-OE1 3.08Å; W26-E30 PolarHBondContact O-N 3.49Å; V28-E30 PolarHBondContact O-N 3.4Å; E30-R34 VanDerWaalsContact O-CB 3.23Å; E30-R34 WeakPolarHBondContact O-CB 3.26Å; E30-R34 PolarHBondContact O-N 3.02Å
31Y98.9Very high98.8Very high35 Ų3540 Ų4014%0.13720%0.2CC..Hα-helixtrans-58.5-54.8174173.6-97.9000110.6V11 G14 L15 L18 E27 V28 E29 R33 R34 R35V11-Y31 HydrophobicContact CG1-CD1 4.31Å; V11-Y31 HydrophobicContact CG1-CE1 3.85Å; G14-Y31 WeakPolarHBondContact CA-OH 3.43Å; L15-Y31 HydrophobicContact CD2-CD1 3.45Å; L15-Y31 VanDerWaalsContact CD2-CD1 3.45Å; L15-Y31 HydrophobicContact CD2-CE1 3.96Å; L15-Y31 HydrophobicContact CD2-CG 4.22Å; L15-Y31 HydrophobicContact CG-CD1 3.95Å; L15-Y31 HydrophobicContact CG-CE1 3.98Å; L18-Y31 HydrophobicContact CD2-CD2 4.4Å; L18-Y31 HydrophobicContact CD2-CG 4.12Å; E27-Y31 WeakPolarHBondContact O-CB 3.47Å; E27-Y31 PolarHBondContact O-N 3.21Å; V28-Y31 WeakPolarHBondContact O-CB 3.31Å; V28-Y31 PolarHBondContact O-N 2.86Å; E29-Y31 PolarHBondContact O-N 3.19Å; Y31-R33 PolarHBondContact O-N 2.71Å; Y31-R34 PolarHBondContact O-N 3.28Å; Y31-R35 HydrophobicContact CD1-CG 4.25Å; Y31-R35 HydrophobicContact CD2-CG 4.32Å; Y31-R35 HydrophobicContact CE1-CG 3.89Å; Y31-R35 HydrophobicContact CE2-CG 3.89Å; Y31-R35 HydrophobicContact CG-CG 4.45Å; Y31-R35 VanDerWaalsContact O-CG 3.27Å; Y31-R35 WeakPolarHBondContact O-CG 3.39Å; Y31-R35 PolarHBondContact O-N 3.27Å
32V98.9Very high98.7Very high0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-62.1-45.3-178178.50000111.3V11 L15 V28 E29 R34 R35 C36 A58 T59 M87V11-V32 HydrophobicContact CG1-CB 4.49Å; V11-V32 HydrophobicContact CG1-CG1 4.45Å; V11-V32 HydrophobicContact CG1-CG2 3.66Å; L15-V32 HydrophobicContact CD1-CG2 4.34Å; V28-V32 WeakPolarHBondContact O-CG2 3.49Å; V28-V32 PolarHBondContact O-N 2.89Å; E29-V32 PolarHBondContact O-N 2.92Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 PolarHBondContact O-N 3.05Å; V32-R35 PolarHBondContact O-N 3.17Å; V32-C36 WeakPolarHBondContact O-CB 3.14Å; V32-C36 PolarHBondContact O-N 3.4Å; V32-C36 PolarHBondContact O-SG 3.15Å; V32-A58 HydrophobicContact CG1-CB 4.32Å; V32-T59 HydrophobicContact CB-CG2 3.72Å; V32-T59 HydrophobicContact CG1-CG2 3.87Å; V32-T59 HydrophobicContact CG2-CG2 3.51Å; V32-M87 HydrophobicContact CG1-SD 4.06Å; V32-M87 HydrophobicContact CG2-CE 3.81Å; V32-M87 HydrophobicContact CG2-SD 4.24Å
33R98.8Very high98.7Very high26 Ų2635 Ų3510%0.09816%0.157CC..Hα-helixtrans-58-43.7175.9-74.2-176.7172.8-144.2-2.6112.2E29 Y31 C36 K37 P56 A58 F105 D106E29-R33 HydrophobicContact CG-CG 4.38Å; E29-R33 VanDerWaalsContact O-CB 3.32Å; E29-R33 WeakPolarHBondContact O-CB 3.27Å; E29-R33 WeakPolarHBondContact O-CG 3.44Å; E29-R33 PolarHBondContact O-N 3.45Å; E29-R33 IonicContact OE1-CZ 2.95Å; E29-R33 VanDerWaalsContact OE1-CZ 3.24Å; E29-R33 IonicContact OE1-NE 2.8Å; E29-R33 PolarHBondContact OE1-NE 3.23Å; E29-R33 IonicContact OE1-NH2 3.6Å; E29-R33 PolarHBondContact OE1-NH2 3.15Å; Y31-R33 PolarHBondContact O-N 2.71Å; R33-C36 PolarHBondContact O-N 3.2Å; R33-K37 WeakPolarHBondContact O-CG 3.13Å; R33-K37 PolarHBondContact O-N 2.86Å; R33-K37 VanDerWaalsContact O-N 3.1Å; R33-P56 PolarHBondContact NH2-O 2.93Å; R33-A58 HydrophobicContact CG-CB 3.98Å; R33-F105 HydrophobicContact CB-CD2 3.95Å; R33-F105 HydrophobicContact CB-CE2 4.21Å; R33-F105 HydrophobicContact CG-CD2 3.78Å; R33-F105 HydrophobicContact CG-CE2 4.36Å; R33-D106 IonicContact CZ-OD1 2.8Å; R33-D106 IonicContact NH1-OD1 3.93Å; R33-D106 PolarHBondContact NH1-OD1 3.3Å; R33-D106 IonicContact NH2-OD1 3.73Å
34R98.8Very high98.7Very high115 Ų11534.7 Ų34.743%0.43416%0.156SC..Hα-helixtrans-64.5-46.8177.6178.917654.5712.6111.2E30 Y31 V32 C36 K37 E38E30-R34 VanDerWaalsContact O-CB 3.23Å; E30-R34 WeakPolarHBondContact O-CB 3.26Å; E30-R34 PolarHBondContact O-N 3.02Å; Y31-R34 PolarHBondContact O-N 3.28Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 PolarHBondContact O-N 3.05Å; R34-C36 VanDerWaalsContact C-N 3.3Å; R34-C36 PolarHBondContact O-N 3.16Å; R34-K37 PolarHBondContact O-N 3.18Å; R34-K37 VanDerWaalsContact O-N 3.17Å; R34-E38 WeakPolarHBondContact CD-OE1 3.47Å; R34-E38 HydrophobicContact CG-CG 4.29Å; R34-E38 WeakPolarHBondContact CG-OE1 3.35Å; R34-E38 IonicContact CZ-OE1 3.81Å; R34-E38 IonicContact NH1-OE1 3.92Å; R34-E38 PolarHBondContact NH1-OE1 3.22Å; R34-E38 IonicContact NH1-OE2 3.45Å; R34-E38 PolarHBondContact NH1-OE2 3.37Å; R34-E38 WeakPolarHBondContact O-CG 3.11Å; R34-E38 PolarHBondContact O-N 3.47Å
35R98.8Very high98.6Very high61 Ų6133.7 Ų33.723%0.2315%0.15CC..Hα-helixtrans-58-43.3176.9-65.3-61-64.8133.11.3111.3F7 V11 Y31 V32 K37 E38 A39F7-R35 HydrophobicContact CZ-CB 3.98Å; F7-R35 WeakPolarHBondContact CZ-O 3.31Å; V11-R35 HydrophobicContact CG2-CB 4.29Å; Y31-R35 HydrophobicContact CD1-CG 4.25Å; Y31-R35 HydrophobicContact CD2-CG 4.32Å; Y31-R35 HydrophobicContact CE1-CG 3.89Å; Y31-R35 HydrophobicContact CE2-CG 3.89Å; Y31-R35 HydrophobicContact CG-CG 4.45Å; Y31-R35 VanDerWaalsContact O-CG 3.27Å; Y31-R35 WeakPolarHBondContact O-CG 3.39Å; Y31-R35 PolarHBondContact O-N 3.27Å; V32-R35 PolarHBondContact O-N 3.17Å; R35-K37 PolarHBondContact O-N 2.74Å; R35-E38 IonicContact CZ-OE2 2.69Å; R35-E38 IonicContact NH1-OE2 2.85Å; R35-E38 PolarHBondContact NH1-OE2 3.49Å; R35-E38 PolarHBondContact O-N 2.83Å; R35-A39 WeakPolarHBondContact O-CB 3.4Å; R35-A39 PolarHBondContact O-N 3.28Å
36C98.9Very high98.5Very high0 Ų033.7 Ų33.70%015%0.15CC..Hα-helixtrans-57.9-46.5175.4-71.80000112.1V32 R33 R34 N40 V41 F105V32-C36 WeakPolarHBondContact O-CB 3.14Å; V32-C36 PolarHBondContact O-N 3.4Å; V32-C36 PolarHBondContact O-SG 3.15Å; R33-C36 PolarHBondContact O-N 3.2Å; R34-C36 VanDerWaalsContact C-N 3.3Å; R34-C36 PolarHBondContact O-N 3.16Å; C36-N40 WeakPolarHBondContact O-CA 3.46Å; C36-N40 PolarHBondContact O-N 3.14Å; C36-V41 VanDerWaalsContact CB-O 3.32Å; C36-V41 WeakPolarHBondContact CB-O 3.25Å; C36-V41 PolarHBondContact O-N 3.2Å; C36-F105 HydrophobicContact CB-CE2 4.1Å; C36-F105 HydrophobicContact CB-CZ 4.2Å
37K98.6Very high98.5Very high73 Ų7331.7 Ų31.732%0.31714%0.143SC..Hα-helixtrans-65.5-41177.2-71.6-173.1173.3-154.40113.1R33 R34 R35 V100 L103 F105R33-K37 WeakPolarHBondContact O-CG 3.13Å; R33-K37 PolarHBondContact O-N 2.86Å; R33-K37 VanDerWaalsContact O-N 3.1Å; R34-K37 PolarHBondContact O-N 3.18Å; R34-K37 VanDerWaalsContact O-N 3.17Å; R35-K37 PolarHBondContact O-N 2.74Å; K37-V100 HydrophobicContact CG-CG1 4.33Å; K37-L103 WeakPolarHBondContact CE-O 3.49Å; K37-L103 PolarHBondContact NZ-O 3.17Å; K37-F105 HydrophobicContact CG-CE2 3.94Å; K37-F105 HydrophobicContact CG-CZ 4.13Å
38E98.6Very high98.3Very high109 Ų10929.7 Ų29.751%0.50914%0.137SC..Hα-helixtrans-65.2-42178.9-73.4168.6-179.100112R34 R35R34-E38 WeakPolarHBondContact CD-OE1 3.47Å; R34-E38 HydrophobicContact CG-CG 4.29Å; R34-E38 WeakPolarHBondContact CG-OE1 3.35Å; R34-E38 IonicContact CZ-OE1 3.81Å; R34-E38 IonicContact NH1-OE1 3.92Å; R34-E38 PolarHBondContact NH1-OE1 3.22Å; R34-E38 IonicContact NH1-OE2 3.45Å; R34-E38 PolarHBondContact NH1-OE2 3.37Å; R34-E38 WeakPolarHBondContact O-CG 3.11Å; R34-E38 PolarHBondContact O-N 3.47Å; R35-E38 IonicContact CZ-OE2 2.69Å; R35-E38 IonicContact NH1-OE2 2.85Å; R35-E38 PolarHBondContact NH1-OE2 3.49Å; R35-E38 PolarHBondContact O-N 2.83Å
39A98.6Very high98.1Very high28 Ų2835.2 Ų35.223%0.23117%0.166CC..Hα-helixtrans-91.5-2.4-176.800000114.4F7 R35 V41F7-A39 HydrophobicContact CD2-CB 3.83Å; F7-A39 HydrophobicContact CE2-CB 3.21Å; F7-A39 HydrophobicContact CZ-CB 3.64Å; R35-A39 WeakPolarHBondContact O-CB 3.4Å; R35-A39 PolarHBondContact O-N 3.28Å; A39-V41 HydrophobicContact CB-CG2 4.06Å
40N98.5Very high97.9Very high6 Ų636.5 Ų36.53%0.03218%0.18CC..THydrogen-bonded Turntrans5749.4-174.2-153.558.9000113.1C36 L93 V98 V100C36-N40 WeakPolarHBondContact O-CA 3.46Å; C36-N40 PolarHBondContact O-N 3.14Å; N40-L93 PolarHBondContact ND2-O 3.12Å; N40-L93 PolarHBondContact O-N 2.95Å; N40-V98 PolarHBondContact ND2-O 3.22Å; N40-V98 PolarHBondContact OD1-O 2.94Å; N40-V100 WeakPolarHBondContact OD1-CB 3.36Å; N40-V100 WeakPolarHBondContact OD1-CG2 3.39Å; N40-V100 PolarHBondContact OD1-N 3.35Å
41V98.7Very high97.6Very high0 Ų036.3 Ų36.30%019%0.19CC..  trans-112.6137.5179.7165.90000109.7F7 C36 A39 L89 S90 P92 V100F7-V41 HydrophobicContact CD1-CB 4.06Å; F7-V41 HydrophobicContact CD1-CG1 3.8Å; F7-V41 HydrophobicContact CD1-CG2 3.67Å; F7-V41 HydrophobicContact CD2-CG2 4.48Å; F7-V41 HydrophobicContact CE1-CB 3.7Å; F7-V41 HydrophobicContact CE1-CG1 3.61Å; F7-V41 HydrophobicContact CE1-CG2 3.72Å; F7-V41 HydrophobicContact CG-CG2 4.05Å; F7-V41 HydrophobicContact CZ-CB 4.28Å; F7-V41 HydrophobicContact CZ-CG2 4.2Å; C36-V41 VanDerWaalsContact CB-O 3.32Å; C36-V41 WeakPolarHBondContact CB-O 3.25Å; C36-V41 PolarHBondContact O-N 3.2Å; A39-V41 HydrophobicContact CB-CG2 4.06Å; V41-L89 HydrophobicContact CG1-CB 3.9Å; V41-L89 HydrophobicContact CG1-CD2 4.42Å; V41-S90 VanDerWaalsContact CG1-O 3.23Å; V41-S90 WeakPolarHBondContact CG1-O 3.23Å; V41-P92 HydrophobicContact CG2-CB 4.18Å; V41-P92 HydrophobicContact CG2-CG 3.89Å; V41-V100 WeakPolarHBondContact O-CG1 3.25Å
42L98.2Very high97.4Very high3 Ų339 Ų392%0.01621%0.206CC..  trans-84.1130.5175.1-69.1171.6000110.6L44 S90 L93 V98 V100 L103 Y118L42-L44 HydrophobicContact CB-CD2 3.89Å; L42-L44 PolarHBondContact O-N 3.06Å; L42-S90 PolarHBondContact N-OG 2.92Å; L42-S90 PolarHBondContact O-N 2.93Å; L42-L93 HydrophobicContact CD1-CD1 3.67Å; L42-L93 HydrophobicContact CG-CD1 3.88Å; L42-V98 HydrophobicContact CD1-CG1 4.45Å; L42-V100 HydrophobicContact CD2-CG2 3.91Å; L42-V100 HydrophobicContact CG-CG2 4.29Å; L42-L103 HydrophobicContact CD2-CD1 3.75Å; L42-Y118 HydrophobicContact CD1-CD2 4.31Å
43P98.3Very high97.3Very high0 Ų042.5 Ų42.50%022%0.223CC..BIsolated β-bridgetrans-77.7101.116531.6-32.5000109.5Q45 I46 A58 L89 F105P43-Q45 VanDerWaalsContact C-N 3.28Å; P43-Q45 PolarHBondContact O-N 3.43Å; P43-I46 HydrophobicContact CB-CD1 4.23Å; P43-I46 HydrophobicContact CB-CG1 4.34Å; P43-I46 HydrophobicContact CG-CD1 3.68Å; P43-I46 HydrophobicContact CG-CG1 4.19Å; P43-I46 PolarHBondContact O-N 3.26Å; P43-A58 HydrophobicContact CB-CB 3.52Å; P43-A58 HydrophobicContact CG-CB 4.22Å; P43-L89 HydrophobicContact CB-CD2 4.32Å; P43-F105 HydrophobicContact CG-CD1 4.26Å; P43-F105 HydrophobicContact CG-CD2 4.32Å; P43-F105 HydrophobicContact CG-CE1 3.86Å; P43-F105 HydrophobicContact CG-CE2 3.93Å; P43-F105 HydrophobicContact CG-CG 4.47Å; P43-F105 HydrophobicContact CG-CZ 3.67Å
44L97.4Very high97.3Very high11 Ų1143.6 Ų43.66%0.05823%0.231CC..THydrogen-bonded Turntrans-75.9-15.2-166.9-63.7175.8000113.6L42 I46 V88 Y118 L122 M193L42-L44 HydrophobicContact CB-CD2 3.89Å; L42-L44 PolarHBondContact O-N 3.06Å; L44-I46 VanDerWaalsContact C-N 3.34Å; L44-V88 HydrophobicContact CB-CB 4.31Å; L44-V88 HydrophobicContact CB-CG1 4.21Å; L44-V88 WeakPolarHBondContact CB-O 3.39Å; L44-V88 HydrophobicContact CD1-CG1 4.28Å; L44-V88 PolarHBondContact N-O 2.89Å; L44-Y118 HydrophobicContact CD1-CD1 3.87Å; L44-Y118 HydrophobicContact CD1-CE1 4Å; L44-Y118 HydrophobicContact CD2-CD1 3.92Å; L44-Y118 HydrophobicContact CD2-CG 4.06Å; L44-L122 HydrophobicContact CD1-CB 3.59Å; L44-L122 HydrophobicContact CD1-CD2 4.24Å; L44-M193 HydrophobicContact CB-CE 4.23Å
45Q97Very high97.2Very high9 Ų938.3 Ų38.34%0.04221%0.211CC..THydrogen-bonded Turntrans-68.1-29.2172-89.8163.5-12400114P43 G47 V48 Y55 C60 D86 V88 M193P43-Q45 VanDerWaalsContact C-N 3.28Å; P43-Q45 PolarHBondContact O-N 3.43Å; Q45-G47 PolarHBondContact O-N 3.41Å; Q45-V48 WeakPolarHBondContact O-CG2 3.34Å; Q45-V48 PolarHBondContact O-N 2.9Å; Q45-V48 VanDerWaalsContact O-N 3.11Å; Q45-Y55 HydrophobicContact CB-CD1 4.03Å; Q45-Y55 HydrophobicContact CB-CE1 4.4Å; Q45-C60 PolarHBondContact NE2-SG 2.66Å; Q45-D86 PolarHBondContact OE1-OD1 2.83Å; Q45-V88 HydrophobicContact CG-CB 4.37Å; Q45-V88 HydrophobicContact CG-CG2 4.09Å; Q45-M193 HydrophobicContact CG-CE 4.2Å
46I98.1Very high97.2Very high0 Ų036.3 Ų36.30%021%0.206CC..THydrogen-bonded Turntrans-67114.9179.8-57.1-177.8000108.6P43 L44 Y55 Y57 A58 F105 V108 V111 S115P43-I46 HydrophobicContact CB-CD1 4.23Å; P43-I46 HydrophobicContact CB-CG1 4.34Å; P43-I46 HydrophobicContact CG-CD1 3.68Å; P43-I46 HydrophobicContact CG-CG1 4.19Å; P43-I46 PolarHBondContact O-N 3.26Å; L44-I46 VanDerWaalsContact C-N 3.34Å; I46-Y55 WeakPolarHBondContact CA-O 3.45Å; I46-Y57 VanDerWaalsContact CG1-C 3.42Å; I46-Y57 VanDerWaalsContact CG1-O 3.31Å; I46-Y57 WeakPolarHBondContact CG1-O 3.32Å; I46-A58 HydrophobicContact CD1-CB 4.29Å; I46-F105 HydrophobicContact CD1-CB 3.86Å; I46-F105 HydrophobicContact CD1-CD1 4.43Å; I46-F105 HydrophobicContact CD1-CG 4.1Å; I46-V108 HydrophobicContact CG2-CB 4.4Å; I46-V108 HydrophobicContact CG2-CG1 4.22Å; I46-V108 HydrophobicContact CG2-CG2 4.24Å; I46-V111 HydrophobicContact CB-CB 4.21Å; I46-V111 HydrophobicContact CB-CG1 3.85Å; I46-V111 HydrophobicContact CG2-CB 3.75Å; I46-V111 HydrophobicContact CG2-CG1 3.99Å; I46-V111 HydrophobicContact CG2-CG2 4.06Å; I46-S115 PolarHBondContact O-OG 2.9Å
47G97Very high97.2Very high4 Ų439 Ų394%0.04122%0.216CC..THydrogen-bonded Turntrans99.3-0.9-179.700000115.3Q45 D49 Y55 K112Q45-G47 PolarHBondContact O-N 3.41Å; G47-D49 PolarHBondContact O-N 3.29Å; G47-Y55 PolarHBondContact N-O 2.68Å; G47-K112 VanDerWaalsContact O-CD 3.31Å; G47-K112 WeakPolarHBondContact O-CD 3.48Å; G47-K112 WeakPolarHBondContact O-CE 3.42Å; G47-K112 PolarHBondContact O-NZ 2.95Å
48V95.8Very high97.2Very high39 Ų3935.5 Ų35.524%0.23620%0.201CC..  trans-58.5131.1173.9176.20000109.1Q45 G50 D54 Y55 M193 W238Q45-V48 WeakPolarHBondContact O-CG2 3.34Å; Q45-V48 PolarHBondContact O-N 2.9Å; Q45-V48 VanDerWaalsContact O-N 3.11Å; V48-G50 PolarHBondContact O-N 2.92Å; V48-D54 CarbonylContact O-C 3.55Å; V48-D54 VanDerWaalsContact O-CA 3.31Å; V48-D54 WeakPolarHBondContact O-CA 3.3Å; V48-Y55 PolarHBondContact O-N 3.37Å; V48-M193 HydrophobicContact CG2-CE 3.81Å; V48-M193 HydrophobicContact CG2-SD 4.45Å; V48-W238 HydrophobicContact CB-CH2 4.38Å; V48-W238 HydrophobicContact CG1-CH2 3.98Å; V48-W238 WeakPolarHBondContact O-CZ2 3.39Å
49D94.8Very high97.2Very high115 Ų11530.3 Ų30.362%0.61518%0.177SC*.  trans-63.3128.2-177.3-71.1-41.1000111.1G47 K112 W238G47-D49 PolarHBondContact O-N 3.29Å; D49-K112 IonicContact OD1-NZ 2.93Å; D49-K112 PolarHBondContact OD1-NZ 3.31Å; D49-W238 WeakPolarHBondContact O-CH2 3.48Å
50G93.8Very high97.2Very high28 Ų2829.2 Ų29.229%0.28917%0.168SC..  trans-112.8172170.300000111.8V48 I52 M53V48-G50 PolarHBondContact O-N 2.92Å; G50-I52 VanDerWaalsContact C-N 3.29Å; G50-I52 PolarHBondContact O-N 2.88Å; G50-M53 VanDerWaalsContact CA-O 3.24Å; G50-M53 WeakPolarHBondContact CA-O 3.31Å; G50-M53 PolarHBondContact N-O 2.83Å
51S92.8Very high97.2Very high100 Ų10029 Ų2970%0.69917%0.166SC*.SBendtrans-68.8-26.7179.859.60000113.8
52I95.8Very high97.2Very high92 Ų9229.1 Ų29.147%0.47217%0.168SC..SBendtrans-117.7-41.7-177.8-60.1179.6000111.1G50 M234G50-I52 VanDerWaalsContact C-N 3.29Å; G50-I52 PolarHBondContact O-N 2.88Å; I52-M234 WeakPolarHBondContact CD1-O 3.23Å
53M96.5Very high97.3Very high74 Ų7429.5 Ų29.537%0.36517%0.17SC..SBendtrans-151.6158.2-177.961174.3-76.300111G50 P56 W238G50-M53 VanDerWaalsContact CA-O 3.24Å; G50-M53 WeakPolarHBondContact CA-O 3.31Å; G50-M53 PolarHBondContact N-O 2.83Å; M53-P56 HydrophobicContact CE-CB 4.34Å; M53-P56 HydrophobicContact CE-CG 3.85Å; M53-W238 PolarHBondContact O-NE1 2.75Å
54D97.3Very high97.3Very high49 Ų4931.3 Ų31.326%0.26218%0.179SC..  trans-63.1146.1170-66.6-8.2000111.4V48 P56 V108 K112V48-D54 CarbonylContact O-C 3.55Å; V48-D54 VanDerWaalsContact O-CA 3.31Å; V48-D54 WeakPolarHBondContact O-CA 3.3Å; D54-P56 WeakPolarHBondContact O-CD 3.46Å; D54-V108 HydrophobicContact CB-CG1 3.86Å; D54-K112 IonicContact OD1-NZ 3.58Å; D54-K112 PolarHBondContact OD1-NZ 2.82Å; D54-K112 VanDerWaalsContact OD2-CD 3.3Å; D54-K112 WeakPolarHBondContact OD2-CD 3.27Å; D54-K112 IonicContact OD2-NZ 3.04Å; D54-K112 PolarHBondContact OD2-NZ 2.97Å
55Y98Very high97.3Very high4 Ų433 Ų332%0.01619%0.188CC..  trans-66.7124.9173.8-163.3-92.8000109.9Q45 I46 G47 V48 Y57 T59 C60 A70 F71 W238Q45-Y55 HydrophobicContact CB-CD1 4.03Å; Q45-Y55 HydrophobicContact CB-CE1 4.4Å; I46-Y55 WeakPolarHBondContact CA-O 3.45Å; G47-Y55 PolarHBondContact N-O 2.68Å; V48-Y55 PolarHBondContact O-N 3.37Å; Y55-Y57 VanDerWaalsContact CD1-O 3.28Å; Y55-Y57 WeakPolarHBondContact CD1-O 3.34Å; Y55-Y57 VanDerWaalsContact CE1-O 3.27Å; Y55-Y57 WeakPolarHBondContact CE1-O 3.33Å; Y55-T59 WeakPolarHBondContact CE1-O 3.29Å; Y55-T59 PolarHBondContact OH-O 3.45Å; Y55-C60 VanDerWaalsContact CZ-SG 3.56Å; Y55-C60 VanDerWaalsContact OH-CA 3.24Å; Y55-C60 WeakPolarHBondContact OH-CA 3.29Å; Y55-C60 PolarHBondContact OH-SG 2.93Å; Y55-C60 VanDerWaalsContact OH-SG 3.38Å; Y55-A70 PolarHBondContact OH-O 3.28Å; Y55-F71 HydrophobicContact CD2-CD1 4.24Å; Y55-F71 AromaticContact CD2-CE1 3.67Å; Y55-F71 HydrophobicContact CD2-CE1 3.67Å; Y55-F71 AromaticContact CE2-CD1 3.46Å; Y55-F71 HydrophobicContact CE2-CD1 3.46Å; Y55-F71 VanDerWaalsContact CE2-CD1 3.46Å; Y55-F71 AromaticContact CE2-CE1 3.35Å; Y55-F71 HydrophobicContact CE2-CE1 3.35Å; Y55-F71 AromaticContact CZ-CD1 3.81Å; Y55-W238 AromaticContact CD2-CD2 3.56Å; Y55-W238 HydrophobicContact CD2-CD2 3.56Å; Y55-W238 AromaticContact CD2-CE2 3.85Å; Y55-W238 AromaticContact CD2-CE3 3.72Å; Y55-W238 HydrophobicContact CD2-CE3 3.72Å; Y55-W238 AromaticContact CD2-CG 3.94Å; Y55-W238 HydrophobicContact CD2-CG 3.94Å; Y55-W238 HydrophobicContact CD2-CH2 4.41Å; Y55-W238 HydrophobicContact CD2-CZ2 4.27Å; Y55-W238 HydrophobicContact CD2-CZ3 4.14Å; Y55-W238 HydrophobicContact CE2-CD2 4.37Å; Y55-W238 HydrophobicContact CE2-CE3 4.43Å; Y55-W238 HydrophobicContact CE2-CG 4.45Å; Y55-W238 HydrophobicContact CG-CD2 4.48Å; Y55-W238 HydrophobicContact CG-CZ2 4.45Å
56P98.1Very high97.4Very high18 Ų1833.2 Ų33.212%0.11719%0.19CC..  trans-102-1.3-167.336.9-33.7000114.9R33 M53 D54 F71 V108R33-P56 PolarHBondContact NH2-O 2.93Å; M53-P56 HydrophobicContact CE-CB 4.34Å; M53-P56 HydrophobicContact CE-CG 3.85Å; D54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-F71 HydrophobicContact CG-CZ 4.36Å; P56-V108 HydrophobicContact CB-CG2 3.83Å
57Y98.8Very high97.5Very high56 Ų5633.2 Ų33.222%0.2219%0.19CC..  trans-118.9157.2-170.9-56.8-63.5000113W26 E29 I46 Y55 T59 F71 P72W26-Y57 HydrophobicContact CH2-CD1 4.17Å; W26-Y57 AromaticContact CH2-CE1 3.76Å; W26-Y57 HydrophobicContact CH2-CE1 3.76Å; W26-Y57 HydrophobicContact CZ3-CD1 4.24Å; W26-Y57 AromaticContact CZ3-CE1 3.86Å; W26-Y57 HydrophobicContact CZ3-CE1 3.86Å; E29-Y57 WeakPolarHBondContact OE1-CA 3.39Å; E29-Y57 WeakPolarHBondContact OE1-CB 3.3Å; I46-Y57 VanDerWaalsContact CG1-C 3.42Å; I46-Y57 VanDerWaalsContact CG1-O 3.31Å; I46-Y57 WeakPolarHBondContact CG1-O 3.32Å; Y55-Y57 VanDerWaalsContact CD1-O 3.28Å; Y55-Y57 WeakPolarHBondContact CD1-O 3.34Å; Y55-Y57 VanDerWaalsContact CE1-O 3.27Å; Y55-Y57 WeakPolarHBondContact CE1-O 3.33Å; Y57-T59 VanDerWaalsContact C-N 3.31Å; Y57-F71 HydrophobicContact CD2-CB 3.8Å; Y57-F71 AromaticContact CD2-CD1 3.96Å; Y57-F71 HydrophobicContact CD2-CD1 3.96Å; Y57-F71 HydrophobicContact CD2-CD2 4.26Å; Y57-F71 AromaticContact CD2-CG 3.76Å; Y57-F71 HydrophobicContact CD2-CG 3.76Å; Y57-F71 HydrophobicContact CE2-CB 3.61Å; Y57-F71 HydrophobicContact CE2-CD1 4.14Å; Y57-F71 AromaticContact CE2-CD2 3.6Å; Y57-F71 HydrophobicContact CE2-CD2 3.6Å; Y57-F71 HydrophobicContact CE2-CE2 4.21Å; Y57-F71 AromaticContact CE2-CG 3.53Å; Y57-F71 HydrophobicContact CE2-CG 3.53Å; Y57-P72 HydrophobicContact CD1-CG 4.01Å; Y57-P72 HydrophobicContact CD2-CG 3.91Å; Y57-P72 HydrophobicContact CG-CG 3.57Å
58A98.7Very high97.5Very high0 Ų033.4 Ų33.40%019%0.191CC..SBendtrans-77.9-20.2177.400000112.5E29 V32 R33 P43 I46E29-A58 PolarHBondContact OE1-N 3.45Å; E29-A58 PolarHBondContact OE2-N 3.25Å; V32-A58 HydrophobicContact CG1-CB 4.32Å; R33-A58 HydrophobicContact CG-CB 3.98Å; P43-A58 HydrophobicContact CB-CB 3.52Å; P43-A58 HydrophobicContact CG-CB 4.22Å; I46-A58 HydrophobicContact CD1-CB 4.29Å
59T98.9Very high97.7Very high0 Ų033.9 Ų33.90%019%0.19CC..  trans-125.5153.2178.4590000111.4E29 V32 Y55 Y57 P72 V85 D86 M87E29-T59 WeakPolarHBondContact OE2-CB 3.37Å; E29-T59 PolarHBondContact OE2-N 3.21Å; E29-T59 PolarHBondContact OE2-OG1 2.86Å; V32-T59 HydrophobicContact CB-CG2 3.72Å; V32-T59 HydrophobicContact CG1-CG2 3.87Å; V32-T59 HydrophobicContact CG2-CG2 3.51Å; Y55-T59 WeakPolarHBondContact CE1-O 3.29Å; Y55-T59 PolarHBondContact OH-O 3.45Å; Y57-T59 VanDerWaalsContact C-N 3.31Å; T59-P72 WeakPolarHBondContact O-CD 3.37Å; T59-V85 HydrophobicContact CG2-CG1 4.08Å; T59-D86 CarbonylContact C-O 3.5Å; T59-D86 VanDerWaalsContact CA-O 3.24Å; T59-D86 WeakPolarHBondContact CA-O 3.37Å; T59-M87 HydrophobicContact CG2-CE 4.19Å
60C98.9Very high97.8Very high6 Ų628.4 Ų28.44%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-97139.7150.9-40.20000108.8Q45 Y55 A70 V85 D86Q45-C60 PolarHBondContact NE2-SG 2.66Å; Y55-C60 VanDerWaalsContact CZ-SG 3.56Å; Y55-C60 VanDerWaalsContact OH-CA 3.24Å; Y55-C60 WeakPolarHBondContact OH-CA 3.29Å; Y55-C60 PolarHBondContact OH-SG 2.93Å; Y55-C60 VanDerWaalsContact OH-SG 3.38Å; C60-A70 CarbonylContact C-O 3.5Å; C60-A70 WeakPolarHBondContact CA-O 3.38Å; C60-V85 WeakPolarHBondContact O-CA 3.39Å; C60-D86 HydrophobicContact CB-CB 3.96Å; C60-D86 PolarHBondContact N-O 3.45Å; C60-D86 PolarHBondContact O-N 3.41Å; C60-D86 PolarHBondContact SG-OD1 2.74Å
61C98.8Very high98.1Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-128.392.1179.2-74.50000109.5M25 A70 P72 R73 L83 K84M25-C61 HydrophobicContact CG-CB 4.21Å; M25-C61 HydrophobicContact SD-CB 3.71Å; C61-A70 PolarHBondContact N-O 3.28Å; C61-A70 WeakPolarHBondContact O-CB 3.09Å; C61-P72 HydrophobicContact CB-CB 4.24Å; C61-R73 PolarHBondContact O-NH1 3.48Å; C61-L83 HydrophobicContact CB-CD1 4.08Å; C61-K84 CarbonylContact C-O 3.52Å; C61-K84 VanDerWaalsContact CA-O 3.31Å; C61-K84 WeakPolarHBondContact CA-O 3.42Å
62G98.8Very high98.3Very high4 Ų424 Ų244%0.04112%0.121CC..EExtended strand (participates in β ladder)trans-86.5114.1177.300000111.7L83 K84G62-L83 CarbonylContact O-C 3.45Å; G62-K84 PolarHBondContact N-O 3.25Å; G62-K84 PolarHBondContact O-N 3.3Å
63L98.8Very high98.5Very high10 Ų1023.1 Ų23.15%0.05211%0.112CC..EExtended strand (participates in β ladder)trans-99.5125.5177.2-168.572000111.4M25 D65 E66 Y75 L77 D81 L82 L83M25-L63 HydrophobicContact CE-CB 4.15Å; M25-L63 HydrophobicContact CE-CD1 4.07Å; M25-L63 HydrophobicContact CE-CD2 3.98Å; M25-L63 HydrophobicContact CE-CG 4.29Å; L63-D65 PolarHBondContact O-N 3.49Å; L63-E66 PolarHBondContact N-OE2 3.21Å; L63-E66 WeakPolarHBondContact O-CB 3.31Å; L63-E66 PolarHBondContact O-N 3.06Å; L63-E66 VanDerWaalsContact O-N 3.09Å; L63-Y75 HydrophobicContact CD1-CE1 4.43Å; L63-Y75 HydrophobicContact CD2-CD1 3.93Å; L63-Y75 HydrophobicContact CD2-CE1 3.48Å; L63-Y75 VanDerWaalsContact CD2-CE1 3.48Å; L63-Y75 HydrophobicContact CD2-CE2 4.15Å; L63-Y75 HydrophobicContact CD2-CG 4.43Å; L63-L77 HydrophobicContact CD1-CD2 4.07Å; L63-D81 HydrophobicContact CD1-CB 3.88Å; L63-L82 WeakPolarHBondContact CA-O 3.09Å; L63-L83 HydrophobicContact CD1-CB 4.46Å; L63-L83 HydrophobicContact CD1-CD1 4.38Å
64N98.8Very high98.6Very high38 Ų3826.1 Ų26.120%0.20313%0.125CC..THydrogen-bonded Turntrans56.9-94.1170.9-60-36.4000114.8E66 D81 L82 L247 S248N64-E66 VanDerWaalsContact C-N 3.34Å; N64-D81 PolarHBondContact ND2-OD1 2.75Å; N64-L82 PolarHBondContact N-O 2.9Å; N64-L82 PolarHBondContact OD1-N 3.21Å; N64-L247 HydrophobicContact CB-CD2 3.87Å; N64-S248 PolarHBondContact O-N 2.91Å
65D98.7Very high98.6Very high46 Ų4626.3 Ų26.325%0.24612%0.122CC..THydrogen-bonded Turntrans-83.8-10-179.269.9-30.8000113.1L63 V67 K241 T242 G246L63-D65 PolarHBondContact O-N 3.49Å; D65-V67 PolarHBondContact O-N 2.92Å; D65-K241 WeakPolarHBondContact O-CA 3.32Å; D65-K241 IonicContact OD1-NZ 3.82Å; D65-K241 PolarHBondContact OD1-NZ 2.54Å; D65-K241 IonicContact OD2-NZ 3.35Å; D65-T242 PolarHBondContact O-N 2.86Å; D65-G246 WeakPolarHBondContact CA-O 3.41Å; D65-G246 WeakPolarHBondContact CB-O 3.23Å
66E98.8Very high98.7Very high15 Ų1530.6 Ų30.67%0.0714%0.144CC..EExtended strand (participates in β ladder)trans-74.9113.6178.5-70.5168.117600110.5L63 N64 A70 R73 K84 H240 K241L63-E66 PolarHBondContact N-OE2 3.21Å; L63-E66 WeakPolarHBondContact O-CB 3.31Å; L63-E66 PolarHBondContact O-N 3.06Å; L63-E66 VanDerWaalsContact O-N 3.09Å; N64-E66 VanDerWaalsContact C-N 3.34Å; E66-A70 HydrophobicContact CB-CB 3.96Å; E66-A70 HydrophobicContact CG-CB 4.11Å; E66-A70 WeakPolarHBondContact OE2-CB 3.27Å; E66-R73 IonicContact OE1-CZ 2.75Å; E66-R73 IonicContact OE1-NH1 3.72Å; E66-R73 IonicContact OE1-NH2 2.69Å; E66-R73 PolarHBondContact OE1-NH2 3.26Å; E66-R73 IonicContact OE2-CZ 3.17Å; E66-R73 IonicContact OE2-NH1 3.65Å; E66-R73 PolarHBondContact OE2-NH1 3.42Å; E66-R73 IonicContact OE2-NH2 3.94Å; E66-R73 PolarHBondContact OE2-NH2 3.25Å; E66-K84 PolarHBondContact O-NZ 2.89Å; E66-H240 CarbonylContact C-O 3.59Å; E66-H240 WeakPolarHBondContact CA-O 3.34Å; E66-K241 HydrophobicContact CG-CD 4.32Å; E66-K241 HydrophobicContact CG-CG 3.88Å; E66-K241 IonicContact OE1-NZ 3.24Å; E66-K241 PolarHBondContact OE1-NZ 3.41Å
67V98.8Very high98.7Very high0 Ų029.8 Ų29.80%014%0.139CC..EExtended strand (participates in β ladder)trans-74.4-55.8-173175.70000111.3D65 K84 V181 M222 I230 H240 T242D65-V67 PolarHBondContact O-N 2.92Å; V67-K84 VanDerWaalsContact O-CE 3.29Å; V67-K84 WeakPolarHBondContact O-CE 3.42Å; V67-K84 PolarHBondContact O-NZ 2.67Å; V67-V181 HydrophobicContact CG1-CG1 4.43Å; V67-V181 HydrophobicContact CG1-CG2 3.98Å; V67-M222 HydrophobicContact CG1-CB 4Å; V67-M222 HydrophobicContact CG1-CG 3.92Å; V67-M222 HydrophobicContact CG1-SD 3.59Å; V67-M222 VanDerWaalsContact CG1-SD 3.59Å; V67-I230 HydrophobicContact CB-CG2 4.38Å; V67-I230 HydrophobicContact CG1-CG2 4.27Å; V67-I230 HydrophobicContact CG2-CG2 3.73Å; V67-H240 HydrophobicContact CB-CB 4.28Å; V67-H240 PolarHBondContact N-O 2.83Å; V67-T242 HydrophobicContact CG2-CG2 3.78Å
68A98.4Very high98.7Very high7 Ų732.8 Ų32.86%0.05815%0.154CC..EExtended strand (participates in β ladder)trans-157.2164-176.100000111.5A70 L184 M222 H240A68-A70 PolarHBondContact O-N 3.13Å; A68-L184 HydrophobicContact CB-CD1 3.59Å; A68-M222 HydrophobicContact CB-SD 4Å; A68-H240 PolarHBondContact O-N 3.43Å
69H98.3Very high98.7Very high50 Ų5038.2 Ų38.223%0.23118%0.179CC..  trans57.412.2172.8-48.2153.7000116.4W238 H240H69-W238 HydrophobicContact CB-CB 4.45Å; H69-W238 HydrophobicContact CB-CE3 4.14Å; H69-W238 VanDerWaalsContact CB-O 3.27Å; H69-W238 WeakPolarHBondContact CB-O 3.18Å; H69-H240 AromaticContact CE1-NE2 3.95Å; H69-H240 AromaticContact ND1-CD2 3.3Å; H69-H240 PolarHBondContact ND1-CD2 3Å; H69-H240 VanDerWaalsContact ND1-CD2 3.3Å; H69-H240 AromaticContact ND1-NE2 3.26Å; H69-H240 PolarHBondContact ND1-NE2 2.91Å
70A98.5Very high98.7Very high0 Ų039.4 Ų39.40%019%0.191CC..PPolyproline II helixtrans-68.1141.5174.200000110.3Y55 C60 C61 E66 A68 A239Y55-A70 PolarHBondContact OH-O 3.28Å; C60-A70 CarbonylContact C-O 3.5Å; C60-A70 WeakPolarHBondContact CA-O 3.38Å; C61-A70 PolarHBondContact N-O 3.28Å; C61-A70 WeakPolarHBondContact O-CB 3.09Å; E66-A70 HydrophobicContact CB-CB 3.96Å; E66-A70 HydrophobicContact CG-CB 4.11Å; E66-A70 WeakPolarHBondContact OE2-CB 3.27Å; A68-A70 PolarHBondContact O-N 3.13Å; A70-A239 HydrophobicContact CB-CB 4.04Å
71F98.7Very high98.7Very high34 Ų3439.7 Ų39.715%0.14919%0.192CC..PPolyproline II helixtrans-76.1144.2-175.8-63.8-13.8000112.2Y55 P56 Y57 R73 T236 W238Y55-F71 HydrophobicContact CD2-CD1 4.24Å; Y55-F71 AromaticContact CD2-CE1 3.67Å; Y55-F71 HydrophobicContact CD2-CE1 3.67Å; Y55-F71 AromaticContact CE2-CD1 3.46Å; Y55-F71 HydrophobicContact CE2-CD1 3.46Å; Y55-F71 VanDerWaalsContact CE2-CD1 3.46Å; Y55-F71 AromaticContact CE2-CE1 3.35Å; Y55-F71 HydrophobicContact CE2-CE1 3.35Å; Y55-F71 AromaticContact CZ-CD1 3.81Å; P56-F71 HydrophobicContact CG-CZ 4.36Å; Y57-F71 HydrophobicContact CD2-CB 3.8Å; Y57-F71 AromaticContact CD2-CD1 3.96Å; Y57-F71 HydrophobicContact CD2-CD1 3.96Å; Y57-F71 HydrophobicContact CD2-CD2 4.26Å; Y57-F71 AromaticContact CD2-CG 3.76Å; Y57-F71 HydrophobicContact CD2-CG 3.76Å; Y57-F71 HydrophobicContact CE2-CB 3.61Å; Y57-F71 HydrophobicContact CE2-CD1 4.14Å; Y57-F71 AromaticContact CE2-CD2 3.6Å; Y57-F71 HydrophobicContact CE2-CD2 3.6Å; Y57-F71 HydrophobicContact CE2-CE2 4.21Å; Y57-F71 AromaticContact CE2-CG 3.53Å; Y57-F71 HydrophobicContact CE2-CG 3.53Å; F71-R73 PolarHBondContact O-NH1 3.01Å; F71-T236 HydrophobicContact CD2-CG2 4.46Å; F71-T236 HydrophobicContact CE2-CG2 3.68Å; F71-T236 HydrophobicContact CZ-CG2 4.21Å; F71-W238 HydrophobicContact CD1-CB 4.43Å; F71-W238 HydrophobicContact CE1-CB 3.52Å; F71-W238 AromaticContact CE1-CD1 3.73Å; F71-W238 AromaticContact CE1-CG 3.66Å; F71-W238 HydrophobicContact CE1-CG 3.66Å; F71-W238 HydrophobicContact CZ-CB 3.92Å; F71-W238 AromaticContact CZ-CD1 3.52Å; F71-W238 AromaticContact CZ-CG 3.9Å; F71-W238 HydrophobicContact CZ-CG 3.9Å
72P98.7Very high98.7Very high1 Ų139.7 Ų39.71%0.00619%0.192CC..PPolyproline II helixtrans-59144.4158.528.4-35.2000109.4W26 E29 Y57 T59 C61W26-P72 HydrophobicContact CE3-CB 4.41Å; W26-P72 HydrophobicContact CZ3-CB 4.47Å; W26-P72 HydrophobicContact CZ3-CG 4.45Å; E29-P72 HydrophobicContact CB-CB 3.74Å; E29-P72 HydrophobicContact CB-CG 3.94Å; E29-P72 HydrophobicContact CG-CB 4.34Å; E29-P72 HydrophobicContact CG-CG 4Å; Y57-P72 HydrophobicContact CD1-CG 4.01Å; Y57-P72 HydrophobicContact CD2-CG 3.91Å; Y57-P72 HydrophobicContact CG-CG 3.57Å; T59-P72 WeakPolarHBondContact O-CD 3.37Å; C61-P72 HydrophobicContact CB-CB 4.24Å
73R98.4Very high98.7Very high74 Ų7439.5 Ų39.528%0.27919%0.19SC..  trans-158.9161.5-173.859.8-164.8178.4-95.17.7110.5M25 W26 C61 E66 F71 Y75M25-R73 HydrophobicContact SD-CG 4.17Å; W26-R73 PolarHBondContact N-O 3.46Å; C61-R73 PolarHBondContact O-NH1 3.48Å; E66-R73 IonicContact OE1-CZ 2.75Å; E66-R73 IonicContact OE1-NH1 3.72Å; E66-R73 IonicContact OE1-NH2 2.69Å; E66-R73 PolarHBondContact OE1-NH2 3.26Å; E66-R73 IonicContact OE2-CZ 3.17Å; E66-R73 IonicContact OE2-NH1 3.65Å; E66-R73 PolarHBondContact OE2-NH1 3.42Å; E66-R73 IonicContact OE2-NH2 3.94Å; E66-R73 PolarHBondContact OE2-NH2 3.25Å; F71-R73 PolarHBondContact O-NH1 3.01Å; R73-Y75 PolarHBondContact O-N 2.66Å
74H98.7Very high98.7Very high136 Ų13639.2 Ų39.263%0.6319%0.189SC*.SBendtrans-64.7109.2169.1-72.5-68.3000110.2D24 W26D24-H74 VanDerWaalsContact OD1-CA 3.27Å; D24-H74 WeakPolarHBondContact OD1-CA 3.37Å; D24-H74 IonicContact OD1-ND1 2.62Å; D24-H74 IonicContact OD2-CE1 3.51Å; D24-H74 IonicContact OD2-CG 3.63Å; D24-H74 IonicContact OD2-ND1 3.25Å; D24-H74 PolarHBondContact OD2-ND1 2.85Å; W26-H74 AromaticContact CD1-CE1 3.49Å; W26-H74 VanDerWaalsContact CD1-CE1 3.49Å; W26-H74 AromaticContact CG-CE1 3.52Å; W26-H74 AromaticContact CG-ND1 3.89Å; W26-H74 AromaticContact CG-NE2 3.95Å
75Y98.7Very high98.7Very high53 Ų5337.4 Ų37.421%0.20818%0.179CC..  trans-158.6122.3176.8174.2-88.2000108.4D24 M25 L63 R73 L77 K78 D81D24-Y75 PolarHBondContact OD1-N 3.01Å; M25-Y75 WeakPolarHBondContact CB-O 3.35Å; M25-Y75 HydrophobicContact CE-CD1 3.68Å; M25-Y75 HydrophobicContact CE-CE1 4.49Å; M25-Y75 HydrophobicContact CE-CG 4.08Å; M25-Y75 PolarHBondContact N-O 2.82Å; L63-Y75 HydrophobicContact CD1-CE1 4.43Å; L63-Y75 HydrophobicContact CD2-CD1 3.93Å; L63-Y75 HydrophobicContact CD2-CE1 3.48Å; L63-Y75 VanDerWaalsContact CD2-CE1 3.48Å; L63-Y75 HydrophobicContact CD2-CE2 4.15Å; L63-Y75 HydrophobicContact CD2-CG 4.43Å; R73-Y75 PolarHBondContact O-N 2.66Å; Y75-L77 HydrophobicContact CD1-CD2 3.99Å; Y75-L77 HydrophobicContact CE1-CD2 4.14Å; Y75-L77 PolarHBondContact O-N 2.94Å; Y75-K78 WeakPolarHBondContact OH-CD 3.21Å; Y75-K78 WeakPolarHBondContact OH-CE 3.34Å; Y75-K78 PolarHBondContact OH-NZ 2.8Å; Y75-K78 VanDerWaalsContact OH-NZ 3.13Å; Y75-D81 VanDerWaalsContact CE1-OD2 3.29Å; Y75-D81 WeakPolarHBondContact CE1-OD2 3.42Å; Y75-D81 PolarHBondContact OH-OD2 3.47Å; Y75-D81 VanDerWaalsContact OH-OD2 3.05Å
76I98.8Very high98.7Very high94 Ų9436 Ų3648%0.48217%0.172SC..BIsolated β-bridgetrans-75.5111.4176.3-53.1-53.6000108.6L23 D24L23-I76 WeakPolarHBondContact O-CA 3.41Å; D24-I76 HydrophobicContact CB-CD1 3.83Å
77L98.9Very high98.7Very high2 Ų235.3 Ų35.31%0.0117%0.168CC..  trans-58.5134.6178.3-65.6-179.4000110.4I19 G22 L23 M25 L63 Y75 L83 V131I19-L77 HydrophobicContact CG2-CD1 3.99Å; G22-L77 PolarHBondContact N-O 3.36Å; L23-L77 HydrophobicContact CB-CD1 4.26Å; L23-L77 HydrophobicContact CD2-CD1 4.13Å; L23-L77 PolarHBondContact O-N 3.45Å; M25-L77 HydrophobicContact CB-CD2 4.13Å; M25-L77 HydrophobicContact CB-CG 4.33Å; M25-L77 HydrophobicContact CE-CD2 3.87Å; M25-L77 HydrophobicContact CG-CD2 4.47Å; L63-L77 HydrophobicContact CD1-CD2 4.07Å; Y75-L77 HydrophobicContact CD1-CD2 3.99Å; Y75-L77 HydrophobicContact CE1-CD2 4.14Å; Y75-L77 PolarHBondContact O-N 2.94Å; L77-L83 HydrophobicContact CD1-CD2 3.95Å; L77-L83 HydrophobicContact CD2-CD2 4.21Å; L77-V131 HydrophobicContact CB-CG1 3.81Å; L77-V131 HydrophobicContact CB-CG2 4.37Å; L77-V131 HydrophobicContact CD1-CG2 4.16Å; L77-V131 HydrophobicContact CD2-CG2 4.44Å
78K98.8Very high98.7Very high119 Ų11935.4 Ų35.452%0.51717%0.169SC..  trans-108.4154.5-176-60174.9-170.6146.10110.9Y75 G80 D81 V131Y75-K78 WeakPolarHBondContact OH-CD 3.21Å; Y75-K78 WeakPolarHBondContact OH-CE 3.34Å; Y75-K78 PolarHBondContact OH-NZ 2.8Å; Y75-K78 VanDerWaalsContact OH-NZ 3.13Å; K78-G80 PolarHBondContact O-N 2.81Å; K78-D81 WeakPolarHBondContact CB-OD2 3.5Å; K78-D81 PolarHBondContact N-OD2 3.48Å; K78-D81 WeakPolarHBondContact O-CB 3.5Å; K78-D81 PolarHBondContact O-N 3.32Å; K78-V131 WeakPolarHBondContact O-CB 3.39Å; K78-V131 WeakPolarHBondContact O-CG1 3.11Å
79E98.7Very high98.7Very high113 Ų11335.1 Ų35.153%0.52817%0.166SC..THydrogen-bonded Turntrans-49.8124.4166.2-168.875.1-174.700109.9P21 E133P21-E79 WeakPolarHBondContact CG-OE2 2.98Å; E79-E133 WeakPolarHBondContact OE1-CA 3.29Å; E79-E133 VanDerWaalsContact OE1-CB 3.25Å; E79-E133 WeakPolarHBondContact OE1-CB 3.38Å; E79-E133 PolarHBondContact OE1-N 2.74Å
80G98.7Very high98.7Very high25 Ų2532.7 Ų32.726%0.25816%0.155SC..THydrogen-bonded Turntrans92.4-4.3178.600000115.6K78 V131 E133K78-G80 PolarHBondContact O-N 2.81Å; G80-V131 PolarHBondContact N-O 3.36Å; G80-E133 PolarHBondContact N-O 2.82Å
81D98.9Very high98.6Very high13 Ų1334.6 Ų34.67%0.0716%0.164CC..  trans-66.7144174.2-80.8-30.8000111.2L63 N64 Y75 K78 V131L63-D81 HydrophobicContact CD1-CB 3.88Å; N64-D81 PolarHBondContact ND2-OD1 2.75Å; Y75-D81 VanDerWaalsContact CE1-OD2 3.29Å; Y75-D81 WeakPolarHBondContact CE1-OD2 3.42Å; Y75-D81 PolarHBondContact OH-OD2 3.47Å; Y75-D81 VanDerWaalsContact OH-OD2 3.05Å; K78-D81 WeakPolarHBondContact CB-OD2 3.5Å; K78-D81 PolarHBondContact N-OD2 3.48Å; K78-D81 WeakPolarHBondContact O-CB 3.5Å; K78-D81 PolarHBondContact O-N 3.32Å; D81-V131 HydrophobicContact CB-CB 3.91Å; D81-V131 HydrophobicContact CB-CG2 3.84Å; D81-V131 WeakPolarHBondContact O-CB 3.4Å; D81-V131 WeakPolarHBondContact O-CG2 3.44Å; D81-V131 PolarHBondContact O-N 2.99Å
82L98.9Very high98.6Very high0 Ų034.7 Ų34.70%017%0.168CC..EExtended strand (participates in β ladder)trans-104.5115.3167.3173.461.3000108.5L63 N64 A128 V138 L141 M142 C249L63-L82 WeakPolarHBondContact CA-O 3.09Å; N64-L82 PolarHBondContact N-O 2.9Å; N64-L82 PolarHBondContact OD1-N 3.21Å; L82-A128 HydrophobicContact CD1-CB 4.05Å; L82-V138 HydrophobicContact CB-CG1 4.03Å; L82-V138 HydrophobicContact CD1-CG1 4.25Å; L82-V138 HydrophobicContact CD2-CG1 4.41Å; L82-V138 HydrophobicContact CG-CG1 4.47Å; L82-L141 HydrophobicContact CD2-CD2 3.98Å; L82-M142 HydrophobicContact CD1-CE 4.27Å; L82-M142 HydrophobicContact CD1-CG 3.71Å; L82-M142 HydrophobicContact CD1-SD 3.64Å; L82-C249 HydrophobicContact CD2-CB 3.98Å
83L98.9Very high98.5Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-112.8129.1178178.364.5000110.2I19 M25 V28 C61 G62 L63 L77 V85 A128 Y129 V131I19-L83 HydrophobicContact CD1-CD2 4.07Å; I19-L83 HydrophobicContact CG1-CD2 4.38Å; I19-L83 HydrophobicContact CG2-CD2 4.25Å; M25-L83 HydrophobicContact CE-CD1 4.25Å; M25-L83 HydrophobicContact CG-CD1 4.39Å; M25-L83 HydrophobicContact SD-CD1 4.25Å; V28-L83 HydrophobicContact CG2-CD2 4.39Å; C61-L83 HydrophobicContact CB-CD1 4.08Å; G62-L83 CarbonylContact O-C 3.45Å; L63-L83 HydrophobicContact CD1-CB 4.46Å; L63-L83 HydrophobicContact CD1-CD1 4.38Å; L77-L83 HydrophobicContact CD1-CD2 3.95Å; L77-L83 HydrophobicContact CD2-CD2 4.21Å; L83-V85 HydrophobicContact CD2-CG2 3.99Å; L83-V85 HydrophobicContact CG-CG2 3.97Å; L83-A128 CarbonylContact O-C 3.52Å; L83-A128 WeakPolarHBondContact O-CA 3.48Å; L83-Y129 PolarHBondContact N-O 2.65Å; L83-Y129 PolarHBondContact O-N 2.81Å; L83-V131 HydrophobicContact CB-CG2 4.35Å
84K98.9Very high98.3Very high3 Ų337.6 Ų37.61%0.01319%0.189CC..EExtended strand (participates in β ladder)trans-107.7128.8168.6-57.2119.669.4169.90109.5C61 G62 E66 V67 W127 A128 S248 Q250C61-K84 CarbonylContact C-O 3.52Å; C61-K84 VanDerWaalsContact CA-O 3.31Å; C61-K84 WeakPolarHBondContact CA-O 3.42Å; G62-K84 PolarHBondContact N-O 3.25Å; G62-K84 PolarHBondContact O-N 3.3Å; E66-K84 PolarHBondContact O-NZ 2.89Å; V67-K84 VanDerWaalsContact O-CE 3.29Å; V67-K84 WeakPolarHBondContact O-CE 3.42Å; V67-K84 PolarHBondContact O-NZ 2.67Å; K84-W127 WeakPolarHBondContact CA-O 3.33Å; K84-A128 HydrophobicContact CG-CB 3.84Å; K84-S248 WeakPolarHBondContact CD-O 3.46Å; K84-S248 PolarHBondContact NZ-O 3.11Å; K84-S248 PolarHBondContact NZ-OG 2.93Å; K84-Q250 HydrophobicContact CG-CB 4.5Å
85V98.9Very high98.2Very high0 Ų037.4 Ų37.40%019%0.186CC..EExtended strand (participates in β ladder)trans-116.9120.2177.5-171.70000108.8H12 L15 I19 V28 T59 C60 L83 M87 C126 W127 Y129H12-V85 PolarHBondContact CE1-O 3.12Å; L15-V85 HydrophobicContact CD1-CB 4.21Å; L15-V85 HydrophobicContact CD1-CG1 3.83Å; L15-V85 HydrophobicContact CD1-CG2 4.48Å; I19-V85 HydrophobicContact CD1-CG2 4.08Å; V28-V85 HydrophobicContact CG1-CB 4.5Å; V28-V85 HydrophobicContact CG1-CG1 3.75Å; V28-V85 HydrophobicContact CG1-CG2 3.9Å; T59-V85 HydrophobicContact CG2-CG1 4.08Å; C60-V85 WeakPolarHBondContact O-CA 3.39Å; L83-V85 HydrophobicContact CD2-CG2 3.99Å; L83-V85 HydrophobicContact CG-CG2 3.97Å; V85-M87 HydrophobicContact CG1-CE 3.71Å; V85-C126 WeakPolarHBondContact O-CA 3.48Å; V85-W127 PolarHBondContact N-O 3.02Å; V85-W127 PolarHBondContact O-N 2.94Å; V85-Y129 HydrophobicContact CB-CE2 3.9Å; V85-Y129 HydrophobicContact CG2-CD2 4.02Å; V85-Y129 HydrophobicContact CG2-CE2 3.84Å
86D98.9Very high97.9Very high18 Ų1840 Ų4010%0.09621%0.212CC..EExtended strand (participates in β ladder)trans-116.3138.2-177.4168.3-93.8000109.7Q45 T59 C60 S125 C126Q45-D86 PolarHBondContact OE1-OD1 2.83Å; T59-D86 CarbonylContact C-O 3.5Å; T59-D86 VanDerWaalsContact CA-O 3.24Å; T59-D86 WeakPolarHBondContact CA-O 3.37Å; C60-D86 HydrophobicContact CB-CB 3.96Å; C60-D86 PolarHBondContact N-O 3.45Å; C60-D86 PolarHBondContact O-N 3.41Å; C60-D86 PolarHBondContact SG-OD1 2.74Å; D86-S125 WeakPolarHBondContact CA-O 3.29Å; D86-C126 HydrophobicContact CB-CB 3.73Å; D86-C126 WeakPolarHBondContact OD2-CB 3.45Å
87M98.6Very high97.6Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-155140.4178.165-166.374.800112.7L8 V11 L15 V32 T59 V85 L89 S125L8-M87 HydrophobicContact CD1-CG 3.95Å; L8-M87 VanDerWaalsContact CD1-O 3.24Å; L8-M87 WeakPolarHBondContact CD1-O 3.5Å; L8-M87 HydrophobicContact CG-CG 4.04Å; L8-M87 HydrophobicContact CG-SD 4.42Å; V11-M87 HydrophobicContact CB-SD 4.04Å; V11-M87 HydrophobicContact CG1-CE 3.87Å; V11-M87 HydrophobicContact CG1-SD 3.51Å; V11-M87 VanDerWaalsContact CG1-SD 3.51Å; L15-M87 HydrophobicContact CD1-CE 3.77Å; V32-M87 HydrophobicContact CG1-SD 4.06Å; V32-M87 HydrophobicContact CG2-CE 3.81Å; V32-M87 HydrophobicContact CG2-SD 4.24Å; T59-M87 HydrophobicContact CG2-CE 4.19Å; V85-M87 HydrophobicContact CG1-CE 3.71Å; M87-L89 HydrophobicContact CB-CG 4.39Å; M87-L89 HydrophobicContact CG-CD1 4.1Å; M87-L89 HydrophobicContact CG-CG 4.12Å; M87-L89 HydrophobicContact SD-CD1 3.79Å; M87-L89 HydrophobicContact SD-CG 4.4Å; M87-S125 PolarHBondContact N-O 2.86Å; M87-S125 PolarHBondContact O-N 3.04Å
88V98.4Very high97.4Very high2 Ų240.9 Ų40.91%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-111.8121.9168.8-165.10000110.4L44 Q45 L122 A123 D124 M193L44-V88 HydrophobicContact CB-CB 4.31Å; L44-V88 HydrophobicContact CB-CG1 4.21Å; L44-V88 WeakPolarHBondContact CB-O 3.39Å; L44-V88 HydrophobicContact CD1-CG1 4.28Å; L44-V88 PolarHBondContact N-O 2.89Å; Q45-V88 HydrophobicContact CG-CB 4.37Å; Q45-V88 HydrophobicContact CG-CG2 4.09Å; V88-L122 HydrophobicContact CG1-CD1 3.86Å; V88-A123 WeakPolarHBondContact CA-O 3.49Å; V88-A123 WeakPolarHBondContact CG1-O 3.24Å; V88-D124 HydrophobicContact CG1-CB 4.41Å; V88-D124 HydrophobicContact CG2-CB 4.33Å; V88-D124 VanDerWaalsContact CG2-CG 3.47Å; V88-D124 VanDerWaalsContact CG2-OD1 3.29Å; V88-D124 WeakPolarHBondContact CG2-OD1 3.39Å; V88-D124 WeakPolarHBondContact CG2-OD2 3.41Å; V88-M193 HydrophobicContact CB-CE 3.53Å; V88-M193 HydrophobicContact CB-CG 4.47Å; V88-M193 HydrophobicContact CB-SD 4.21Å; V88-M193 HydrophobicContact CG1-CE 3.76Å; V88-M193 HydrophobicContact CG1-CG 4.07Å; V88-M193 HydrophobicContact CG1-SD 4.41Å; V88-M193 HydrophobicContact CG2-CE 3.53Å; V88-M193 HydrophobicContact CG2-CG 3.92Å; V88-M193 HydrophobicContact CG2-SD 3.54Å; V88-M193 VanDerWaalsContact CG2-SD 3.54Å
89L98.4Very high97.3Very high0 Ų036.8 Ų36.80%021%0.205CC..EExtended strand (participates in β ladder)trans-127144-171.3-59.4-179.1000111.8F7 L8 V11 V41 P43 M87 L122 A123F7-L89 HydrophobicContact CD1-CD1 3.91Å; F7-L89 HydrophobicContact CE1-CD1 3.83Å; L8-L89 HydrophobicContact CB-CD1 4.1Å; L8-L89 HydrophobicContact CD1-CB 4.37Å; L8-L89 HydrophobicContact CD1-CD1 4.32Å; L8-L89 HydrophobicContact CD1-CG 4.25Å; L8-L89 HydrophobicContact CG-CD1 4.1Å; V11-L89 HydrophobicContact CG2-CD1 4.35Å; V41-L89 HydrophobicContact CG1-CB 3.9Å; V41-L89 HydrophobicContact CG1-CD2 4.42Å; P43-L89 HydrophobicContact CB-CD2 4.32Å; M87-L89 HydrophobicContact CB-CG 4.39Å; M87-L89 HydrophobicContact CG-CD1 4.1Å; M87-L89 HydrophobicContact CG-CG 4.12Å; M87-L89 HydrophobicContact SD-CD1 3.79Å; M87-L89 HydrophobicContact SD-CG 4.4Å; L89-L122 CarbonylContact O-C 3.58Å; L89-L122 WeakPolarHBondContact O-CA 3.35Å; L89-A123 PolarHBondContact N-O 3.28Å; L89-A123 PolarHBondContact O-N 2.79Å
90S97.7Very high97.3Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-71.7168.1169.680.50000111.8V41 L42V41-S90 VanDerWaalsContact CG1-O 3.23Å; V41-S90 WeakPolarHBondContact CG1-O 3.23Å; L42-S90 PolarHBondContact N-OG 2.92Å; L42-S90 PolarHBondContact O-N 2.93Å
91E97Very high97.2Very high39 Ų3933 Ų3318%0.18219%0.188CC..PPolyproline II helixtrans-67.6160.516072.4-171.5125.500110.9R3 A4 L93 Y118 G121R3-E91 HydrophobicContact CB-CB 4.01Å; R3-E91 IonicContact CZ-OE2 3.81Å; R3-E91 IonicContact NE-OE2 2.73Å; R3-E91 IonicContact NH1-OE2 2.66Å; R3-E91 PolarHBondContact NH1-OE2 2.95Å; A4-E91 HydrophobicContact CB-CB 4.01Å; E91-L93 HydrophobicContact CG-CD2 3.99Å; E91-L93 WeakPolarHBondContact O-CD2 3.41Å; E91-L93 WeakPolarHBondContact O-CG 2.97Å; E91-L93 PolarHBondContact O-N 2.95Å; E91-Y118 PolarHBondContact N-OH 2.8Å; E91-G121 PolarHBondContact N-O 3.39Å; E91-G121 PolarHBondContact OE1-N 3.32Å
92P97.7Very high97.2Very high36 Ų3640 Ų4023%0.23422%0.218CC..PPolyproline II helixtrans-59121.5171-25.735.1000111.5R3 V41R3-P92 PolarHBondContact NH2-O 3.01Å; R3-P92 WeakPolarHBondContact O-CD 3.42Å; V41-P92 HydrophobicContact CG2-CB 4.18Å; V41-P92 HydrophobicContact CG2-CG 3.89Å
93L96.7Very high97.1Very high32 Ų3240.4 Ų40.417%0.16822%0.22CC..PPolyproline II helixtrans-96.7156.4-173.1-54.4179.1000112.1N40 L42 E91 V98 Y118N40-L93 PolarHBondContact ND2-O 3.12Å; N40-L93 PolarHBondContact O-N 2.95Å; L42-L93 HydrophobicContact CD1-CD1 3.67Å; L42-L93 HydrophobicContact CG-CD1 3.88Å; E91-L93 HydrophobicContact CG-CD2 3.99Å; E91-L93 WeakPolarHBondContact O-CD2 3.41Å; E91-L93 WeakPolarHBondContact O-CG 2.97Å; E91-L93 PolarHBondContact O-N 2.95Å; L93-V98 HydrophobicContact CB-CG1 4.23Å; L93-V98 HydrophobicContact CD1-CG1 3.52Å; L93-Y118 HydrophobicContact CD1-CE2 4.12Å; L93-Y118 HydrophobicContact CD2-CE2 3.7Å
94D95.2Very high97.1Very high104 Ų10444.1 Ų44.156%0.55624%0.239SC*.PPolyproline II helixtrans-69.4134.3169.1-168.1-67.3000110.3S96 V97 V98D94-S96 PolarHBondContact O-N 3.3Å; D94-S96 VanDerWaalsContact O-N 3.17Å; D94-S96 WeakPolarHBondContact OD1-CB 3.44Å; D94-S96 PolarHBondContact OD1-N 2.94Å; D94-S96 PolarHBondContact OD1-OG 3.25Å; D94-V97 HydrophobicContact CB-CG2 4.27Å; D94-V97 WeakPolarHBondContact O-CB 3.19Å; D94-V97 PolarHBondContact O-N 3.07Å; D94-V98 PolarHBondContact O-N 2.81Å
95K95.4Very high97.1Very high133 Ų13344.1 Ų44.158%0.57824%0.239SC*.THydrogen-bonded Turntrans-63.2-20.2-179.7-72.1-170.9177.2-170.70114V97 V98K95-V97 VanDerWaalsContact C-N 3.29Å; K95-V98 WeakPolarHBondContact CA-O 3.28Å; K95-V98 CarbonylContact O-C 3.55Å
96S94.3Very high97Very high107 Ų10749.4 Ų49.475%0.74827%0.268SS*.THydrogen-bonded Turntrans-72.1-23.5172.566.80000113D94D94-S96 PolarHBondContact O-N 3.3Å; D94-S96 VanDerWaalsContact O-N 3.17Å; D94-S96 WeakPolarHBondContact OD1-CB 3.44Å; D94-S96 PolarHBondContact OD1-N 2.94Å; D94-S96 PolarHBondContact OD1-OG 3.25Å
97V90.7Very high97Very high108 Ų10852.1 Ų52.166%0.65528%0.282SS*.THydrogen-bonded Turntrans-81.2-52.7172.9178.80000109.6D94 K95D94-V97 HydrophobicContact CB-CG2 4.27Å; D94-V97 WeakPolarHBondContact O-CB 3.19Å; D94-V97 PolarHBondContact O-N 3.07Å; K95-V97 VanDerWaalsContact C-N 3.29Å
98V94.7Very high97Very high7 Ų753.6 Ų53.64%0.04229%0.291CS..  trans-153.9133.2175.461.10000110.2N40 L42 L93 D94 K95 V100 L103 Y114N40-V98 PolarHBondContact ND2-O 3.22Å; N40-V98 PolarHBondContact OD1-O 2.94Å; L42-V98 HydrophobicContact CD1-CG1 4.45Å; L93-V98 HydrophobicContact CB-CG1 4.23Å; L93-V98 HydrophobicContact CD1-CG1 3.52Å; D94-V98 PolarHBondContact O-N 2.81Å; K95-V98 WeakPolarHBondContact CA-O 3.28Å; K95-V98 CarbonylContact O-C 3.55Å; V98-V100 HydrophobicContact CG1-CG2 4.11Å; V98-V100 HydrophobicContact CG2-CG2 4.41Å; V98-L103 HydrophobicContact CG2-CD1 3.96Å; V98-L103 HydrophobicContact CG2-CD2 4.49Å; V98-L103 HydrophobicContact CG2-CG 4.42Å; V98-Y114 HydrophobicContact CB-CD1 4.07Å; V98-Y114 HydrophobicContact CB-CE1 4.04Å; V98-Y114 HydrophobicContact CG2-CD1 3.76Å; V98-Y114 HydrophobicContact CG2-CE1 3.67Å; V98-Y114 HydrophobicContact CG2-CE2 4.49Å; V98-Y114 HydrophobicContact CG2-CG 4.21Å
99D97.5Very high96.9Very high32 Ų3256.9 Ų56.917%0.17132%0.318CS..  trans-96.789.3170.5-173.6-5.2000108.6S101 K102D99-S101 PolarHBondContact O-N 2.78Å; D99-S101 VanDerWaalsContact O-N 3.16Å; D99-S101 PolarHBondContact OD1-N 3.14Å; D99-S101 PolarHBondContact OD1-OG 3.13Å; D99-K102 HydrophobicContact CB-CD 4.17Å; D99-K102 HydrophobicContact CB-CG 4.36Å; D99-K102 WeakPolarHBondContact O-CB 3.35Å; D99-K102 PolarHBondContact O-N 3.34Å; D99-K102 WeakPolarHBondContact OD2-CD 3.37Å; D99-K102 WeakPolarHBondContact OD2-CE 3.32Å; D99-K102 IonicContact OD2-NZ 2.72Å; D99-K102 PolarHBondContact OD2-NZ 3.07Å
100V98.3Very high96.9Very high0 Ų060 Ų600%033%0.333CS..G310 helixtrans-58.2-30.7-175.1178.20000111.4K37 N40 V41 L42 V98 K102 L103 F105K37-V100 HydrophobicContact CG-CG1 4.33Å; N40-V100 WeakPolarHBondContact OD1-CB 3.36Å; N40-V100 WeakPolarHBondContact OD1-CG2 3.39Å; N40-V100 PolarHBondContact OD1-N 3.35Å; V41-V100 WeakPolarHBondContact O-CG1 3.25Å; L42-V100 HydrophobicContact CD2-CG2 3.91Å; L42-V100 HydrophobicContact CG-CG2 4.29Å; V98-V100 HydrophobicContact CG1-CG2 4.11Å; V98-V100 HydrophobicContact CG2-CG2 4.41Å; V100-K102 PolarHBondContact O-N 3.38Å; V100-K102 VanDerWaalsContact O-N 3.13Å; V100-L103 WeakPolarHBondContact O-CB 3.21Å; V100-L103 PolarHBondContact O-N 3.5Å; V100-F105 HydrophobicContact CG1-CE1 3.87Å; V100-F105 HydrophobicContact CG1-CZ 3.46Å; V100-F105 VanDerWaalsContact CG1-CZ 3.46Å
101S97.6Very high96.9Very high59 Ų5960 Ų6041%0.41333%0.333SS..G310 helixtrans-59.8-25.7177.877.60000113.2D99D99-S101 PolarHBondContact O-N 2.78Å; D99-S101 VanDerWaalsContact O-N 3.16Å; D99-S101 PolarHBondContact OD1-N 3.14Å; D99-S101 PolarHBondContact OD1-OG 3.13Å
102K97.5Very high96.9Very high161 Ų16159.2 Ų59.270%0.733%0.329SS*.G310 helixtrans-89.9-8.4178-65.9-178.7176.9130.60114D99 V100D99-K102 HydrophobicContact CB-CD 4.17Å; D99-K102 HydrophobicContact CB-CG 4.36Å; D99-K102 WeakPolarHBondContact O-CB 3.35Å; D99-K102 PolarHBondContact O-N 3.34Å; D99-K102 WeakPolarHBondContact OD2-CD 3.37Å; D99-K102 WeakPolarHBondContact OD2-CE 3.32Å; D99-K102 IonicContact OD2-NZ 2.72Å; D99-K102 PolarHBondContact OD2-NZ 3.07Å; V100-K102 PolarHBondContact O-N 3.38Å; V100-K102 VanDerWaalsContact O-N 3.13Å
103L97.9Very high96.7Very high8 Ų864.4 Ų64.44%0.04235%0.348CS..  trans-76137.7178-59.4-177.2000110.4K37 L42 V98 V100 F105 Q110 Y114K37-L103 WeakPolarHBondContact CE-O 3.49Å; K37-L103 PolarHBondContact NZ-O 3.17Å; L42-L103 HydrophobicContact CD2-CD1 3.75Å; V98-L103 HydrophobicContact CG2-CD1 3.96Å; V98-L103 HydrophobicContact CG2-CD2 4.49Å; V98-L103 HydrophobicContact CG2-CG 4.42Å; V100-L103 WeakPolarHBondContact O-CB 3.21Å; V100-L103 PolarHBondContact O-N 3.5Å; L103-F105 HydrophobicContact CB-CD1 4.12Å; L103-F105 HydrophobicContact CB-CE1 4.01Å; L103-F105 HydrophobicContact CD1-CE1 4.33Å; L103-Q110 HydrophobicContact CD2-CG 4.27Å; L103-Y114 HydrophobicContact CD1-CD2 4.16Å; L103-Y114 HydrophobicContact CD1-CE2 4.45Å; L103-Y114 HydrophobicContact CD2-CD2 4.06Å; L103-Y114 HydrophobicContact CD2-CE2 3.55Å
104N98.2Very high96.6Very high78 Ų7866.6 Ų66.642%0.41735%0.354SS..  trans-89.1106165.3-1788.1000108.2D106 N107N104-D106 PolarHBondContact O-N 3.25Å; N104-D106 PolarHBondContact OD1-N 3.09Å; N104-D106 VanDerWaalsContact OD1-N 3.08Å; N104-N107 HydrophobicContact CB-CB 4.11Å; N104-N107 WeakPolarHBondContact O-CB 3.39Å; N104-N107 PolarHBondContact O-N 2.86Å
105F98.5Very high96.5Very high3 Ų362.5 Ų62.51%0.01333%0.334CS..THydrogen-bonded Turntrans-67.2-18.2179.7-69.5-18.8000113.7R33 C36 K37 P43 I46 V100 L103 N107 V111R33-F105 HydrophobicContact CB-CD2 3.95Å; R33-F105 HydrophobicContact CB-CE2 4.21Å; R33-F105 HydrophobicContact CG-CD2 3.78Å; R33-F105 HydrophobicContact CG-CE2 4.36Å; C36-F105 HydrophobicContact CB-CE2 4.1Å; C36-F105 HydrophobicContact CB-CZ 4.2Å; K37-F105 HydrophobicContact CG-CE2 3.94Å; K37-F105 HydrophobicContact CG-CZ 4.13Å; P43-F105 HydrophobicContact CG-CD1 4.26Å; P43-F105 HydrophobicContact CG-CD2 4.32Å; P43-F105 HydrophobicContact CG-CE1 3.86Å; P43-F105 HydrophobicContact CG-CE2 3.93Å; P43-F105 HydrophobicContact CG-CG 4.47Å; P43-F105 HydrophobicContact CG-CZ 3.67Å; I46-F105 HydrophobicContact CD1-CB 3.86Å; I46-F105 HydrophobicContact CD1-CD1 4.43Å; I46-F105 HydrophobicContact CD1-CG 4.1Å; V100-F105 HydrophobicContact CG1-CE1 3.87Å; V100-F105 HydrophobicContact CG1-CZ 3.46Å; V100-F105 VanDerWaalsContact CG1-CZ 3.46Å; L103-F105 HydrophobicContact CB-CD1 4.12Å; L103-F105 HydrophobicContact CB-CE1 4.01Å; L103-F105 HydrophobicContact CD1-CE1 4.33Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-V111 HydrophobicContact CD1-CG2 3.77Å
106D98.2Very high96.2Very high111 Ų11162.4 Ų62.459%0.59434%0.336SS*.THydrogen-bonded Turntrans-79.3-12.3171.7-57.3-41.9000112.6R33 N104 V108R33-D106 IonicContact CZ-OD1 2.8Å; R33-D106 IonicContact NH1-OD1 3.93Å; R33-D106 PolarHBondContact NH1-OD1 3.3Å; R33-D106 IonicContact NH2-OD1 3.73Å; N104-D106 PolarHBondContact O-N 3.25Å; N104-D106 PolarHBondContact OD1-N 3.09Å; N104-D106 VanDerWaalsContact OD1-N 3.08Å; D106-V108 PolarHBondContact O-N 2.69Å
107N98.3Very high96Very high74 Ų7461.4 Ų61.440%0.39633%0.329SS..  trans-91.182.1169.9-172.4-16.4000109.2N104 F105 A109 Q110 V111N104-N107 HydrophobicContact CB-CB 4.11Å; N104-N107 WeakPolarHBondContact O-CB 3.39Å; N104-N107 PolarHBondContact O-N 2.86Å; F105-N107 VanDerWaalsContact C-N 3.27Å; N107-A109 VanDerWaalsContact C-N 3.27Å; N107-A109 PolarHBondContact O-N 3.11Å; N107-Q110 HydrophobicContact CB-CB 3.86Å; N107-Q110 WeakPolarHBondContact O-CA 3.47Å; N107-Q110 VanDerWaalsContact O-CB 3.29Å; N107-Q110 WeakPolarHBondContact O-CB 3.41Å; N107-Q110 PolarHBondContact O-N 3.18Å; N107-Q110 PolarHBondContact OD1-N 3.45Å; N107-V111 PolarHBondContact O-N 2.87Å; N107-V111 VanDerWaalsContact O-N 3.16Å
108V98.1Very high96.1Very high31 Ų3157.6 Ų57.619%0.18830%0.303CS..Hα-helixtrans-51.3-46-177.4178.60000111.6I46 D54 P56 D106 Q110 V111 K112I46-V108 HydrophobicContact CG2-CB 4.4Å; I46-V108 HydrophobicContact CG2-CG1 4.22Å; I46-V108 HydrophobicContact CG2-CG2 4.24Å; D54-V108 HydrophobicContact CB-CG1 3.86Å; P56-V108 HydrophobicContact CB-CG2 3.83Å; D106-V108 PolarHBondContact O-N 2.69Å; V108-Q110 VanDerWaalsContact C-N 3.26Å; V108-Q110 PolarHBondContact O-N 3.19Å; V108-V111 PolarHBondContact O-N 3.41Å; V108-V111 VanDerWaalsContact O-N 3.14Å; V108-K112 WeakPolarHBondContact O-CB 3.46Å; V108-K112 PolarHBondContact O-N 2.97Å
109A97.7Very high95.9Very high71 Ų7161.7 Ų61.759%0.58733%0.332SS*.Hα-helixtrans-60.9-32.8178.300000113.2N107 K113N107-A109 VanDerWaalsContact C-N 3.27Å; N107-A109 PolarHBondContact O-N 3.11Å; A109-K113 PolarHBondContact O-N 3.1Å
110Q97.3Very high95.7Very high66 Ų6661.5 Ų61.531%0.30834%0.337SS..Hα-helixtrans-68.4-45.7174.9-176.5-176.529.700111.4L103 N107 V108 Y114L103-Q110 HydrophobicContact CD2-CG 4.27Å; N107-Q110 HydrophobicContact CB-CB 3.86Å; N107-Q110 WeakPolarHBondContact O-CA 3.47Å; N107-Q110 VanDerWaalsContact O-CB 3.29Å; N107-Q110 WeakPolarHBondContact O-CB 3.41Å; N107-Q110 PolarHBondContact O-N 3.18Å; N107-Q110 PolarHBondContact OD1-N 3.45Å; V108-Q110 VanDerWaalsContact C-N 3.26Å; V108-Q110 PolarHBondContact O-N 3.19Å; Q110-Y114 VanDerWaalsContact O-CD2 3.28Å; Q110-Y114 WeakPolarHBondContact O-CD2 3.31Å
111V97.8Very high95.5Very high0 Ų062 Ų620%034%0.342CS..Hα-helixtrans-69.5-43.9-179.5-173.70000110.7I46 F105 N107 V108 K113 Y114 S115I46-V111 HydrophobicContact CB-CB 4.21Å; I46-V111 HydrophobicContact CB-CG1 3.85Å; I46-V111 HydrophobicContact CG2-CB 3.75Å; I46-V111 HydrophobicContact CG2-CG1 3.99Å; I46-V111 HydrophobicContact CG2-CG2 4.06Å; F105-V111 HydrophobicContact CD1-CG2 3.77Å; N107-V111 PolarHBondContact O-N 2.87Å; N107-V111 VanDerWaalsContact O-N 3.16Å; V108-V111 PolarHBondContact O-N 3.41Å; V108-V111 VanDerWaalsContact O-N 3.14Å; V111-K113 PolarHBondContact O-N 2.93Å; V111-Y114 WeakPolarHBondContact O-CA 3.3Å; V111-Y114 WeakPolarHBondContact O-CB 3.26Å; V111-Y114 PolarHBondContact O-N 2.99Å; V111-S115 PolarHBondContact O-N 2.84Å; V111-S115 PolarHBondContact O-OG 2.91Å
112K96.4Very high95.4Very high22 Ų2259.3 Ų59.310%0.09632%0.323CS..Hα-helixtrans-50.6-42.4178.3-173.4166.2-177.9148.50112.8G47 D49 D54 V108 Y114 S115 E116G47-K112 VanDerWaalsContact O-CD 3.31Å; G47-K112 WeakPolarHBondContact O-CD 3.48Å; G47-K112 WeakPolarHBondContact O-CE 3.42Å; G47-K112 PolarHBondContact O-NZ 2.95Å; D49-K112 IonicContact OD1-NZ 2.93Å; D49-K112 PolarHBondContact OD1-NZ 3.31Å; D54-K112 IonicContact OD1-NZ 3.58Å; D54-K112 PolarHBondContact OD1-NZ 2.82Å; D54-K112 VanDerWaalsContact OD2-CD 3.3Å; D54-K112 WeakPolarHBondContact OD2-CD 3.27Å; D54-K112 IonicContact OD2-NZ 3.04Å; D54-K112 PolarHBondContact OD2-NZ 2.97Å; V108-K112 WeakPolarHBondContact O-CB 3.46Å; V108-K112 PolarHBondContact O-N 2.97Å; K112-Y114 PolarHBondContact O-N 3.47Å; K112-Y114 VanDerWaalsContact O-N 3.11Å; K112-S115 VanDerWaalsContact CA-OG 3.28Å; K112-S115 WeakPolarHBondContact CA-OG 3.48Å; K112-S115 PolarHBondContact O-N 2.91Å; K112-S115 PolarHBondContact O-OG 2.96Å; K112-E116 WeakPolarHBondContact CE-OE1 3.17Å; K112-E116 VanDerWaalsContact CG-CD 3.47Å; K112-E116 HydrophobicContact CG-CG 3.65Å; K112-E116 IonicContact NZ-OE1 3.95Å; K112-E116 WeakPolarHBondContact O-CB 3.26Å; K112-E116 WeakPolarHBondContact O-CG 3.46Å; K112-E116 PolarHBondContact O-N 2.89Å
113K95.4Very high95.4Very high145 Ų14551.7 Ų51.763%0.6329%0.29SS*.Hα-helixtrans-53.3-36175.3-177.4-179175.8-177.20113.2A109 V111 S117A109-K113 PolarHBondContact O-N 3.1Å; V111-K113 PolarHBondContact O-N 2.93Å; K113-S117 PolarHBondContact O-OG 3.09Å
114Y94.2Very high95.5Very high78 Ų7851.5 Ų51.531%0.30629%0.289SS..Hα-helixtrans-86.3-40.4178.1-65-82.2000112.3V98 L103 Q110 V111 K112 S117 Y118V98-Y114 HydrophobicContact CB-CD1 4.07Å; V98-Y114 HydrophobicContact CB-CE1 4.04Å; V98-Y114 HydrophobicContact CG2-CD1 3.76Å; V98-Y114 HydrophobicContact CG2-CE1 3.67Å; V98-Y114 HydrophobicContact CG2-CE2 4.49Å; V98-Y114 HydrophobicContact CG2-CG 4.21Å; L103-Y114 HydrophobicContact CD1-CD2 4.16Å; L103-Y114 HydrophobicContact CD1-CE2 4.45Å; L103-Y114 HydrophobicContact CD2-CD2 4.06Å; L103-Y114 HydrophobicContact CD2-CE2 3.55Å; Q110-Y114 VanDerWaalsContact O-CD2 3.28Å; Q110-Y114 WeakPolarHBondContact O-CD2 3.31Å; V111-Y114 WeakPolarHBondContact O-CA 3.3Å; V111-Y114 WeakPolarHBondContact O-CB 3.26Å; V111-Y114 PolarHBondContact O-N 2.99Å; K112-Y114 PolarHBondContact O-N 3.47Å; K112-Y114 VanDerWaalsContact O-N 3.11Å; Y114-S117 PolarHBondContact O-OG 3.06Å; Y114-Y118 WeakPolarHBondContact O-CB 3.27Å; Y114-Y118 PolarHBondContact O-N 3.05Å; Y114-Y118 VanDerWaalsContact O-N 3.15Å
115S91.5Very high95.5Very high19 Ų1947.8 Ų47.813%0.13327%0.27CS..Hα-helixtrans-70-39.3179.950.70000112.9I46 V111 K112 S117 Y118I46-S115 PolarHBondContact O-OG 2.9Å; V111-S115 PolarHBondContact O-N 2.84Å; V111-S115 PolarHBondContact O-OG 2.91Å; K112-S115 VanDerWaalsContact CA-OG 3.28Å; K112-S115 WeakPolarHBondContact CA-OG 3.48Å; K112-S115 PolarHBondContact O-N 2.91Å; K112-S115 PolarHBondContact O-OG 2.96Å; S115-S117 VanDerWaalsContact C-N 3.31Å; S115-S117 PolarHBondContact O-N 3.1Å; S115-Y118 VanDerWaalsContact O-CB 3.28Å; S115-Y118 WeakPolarHBondContact O-CB 3.47Å; S115-Y118 PolarHBondContact O-N 2.84Å
116E90.4Very high95.5Very high130 Ų13047.7 Ų47.761%0.60727%0.269SS*.THydrogen-bonded Turntrans-64.7-32.4177.3-74-179.7151.200113.6K112K112-E116 WeakPolarHBondContact CE-OE1 3.17Å; K112-E116 VanDerWaalsContact CG-CD 3.47Å; K112-E116 HydrophobicContact CG-CG 3.65Å; K112-E116 IonicContact NZ-OE1 3.95Å; K112-E116 WeakPolarHBondContact O-CB 3.26Å; K112-E116 WeakPolarHBondContact O-CG 3.46Å; K112-E116 PolarHBondContact O-N 2.89Å
117S89.5Confident95.5Very high86 Ų8642.4 Ų42.460%0.60124%0.241SC*.THydrogen-bonded Turntrans-93.8-1.2179.460.80000113K113 Y114 S115K113-S117 PolarHBondContact O-OG 3.09Å; Y114-S117 PolarHBondContact O-OG 3.06Å; S115-S117 VanDerWaalsContact C-N 3.31Å; S115-S117 PolarHBondContact O-N 3.1Å
118Y92.5Very high95.6Very high29 Ų2939.2 Ų39.211%0.11422%0.224CC..  trans-69.3136.6179.3-172.9-107000110.6L42 L44 E91 L93 Y114 S115 G120 G121 L122L42-Y118 HydrophobicContact CD1-CD2 4.31Å; L44-Y118 HydrophobicContact CD1-CD1 3.87Å; L44-Y118 HydrophobicContact CD1-CE1 4Å; L44-Y118 HydrophobicContact CD2-CD1 3.92Å; L44-Y118 HydrophobicContact CD2-CG 4.06Å; E91-Y118 PolarHBondContact N-OH 2.8Å; L93-Y118 HydrophobicContact CD1-CE2 4.12Å; L93-Y118 HydrophobicContact CD2-CE2 3.7Å; Y114-Y118 WeakPolarHBondContact O-CB 3.27Å; Y114-Y118 PolarHBondContact O-N 3.05Å; Y114-Y118 VanDerWaalsContact O-N 3.15Å; S115-Y118 VanDerWaalsContact O-CB 3.28Å; S115-Y118 WeakPolarHBondContact O-CB 3.47Å; S115-Y118 PolarHBondContact O-N 2.84Å; Y118-G120 WeakPolarHBondContact CE1-O 3.32Å; Y118-G120 VanDerWaalsContact CZ-CA 3.44Å; Y118-G120 VanDerWaalsContact OH-C 3.25Å; Y118-G120 WeakPolarHBondContact OH-CA 3.48Å; Y118-G121 PolarHBondContact OH-N 3.45Å; Y118-G121 PolarHBondContact OH-O 3.45Å; Y118-L122 HydrophobicContact CE1-CB 4.24Å
119S90.8Very high95.6Very high93 Ų9338.3 Ų38.365%0.6522%0.218SC*.  trans-145.515.2179.5490000112.6
120G93Very high95.6Very high27 Ų2736.8 Ų36.828%0.27821%0.205SC..SBendtrans-82.3-171.9174.800000111.9Y118 L122Y118-G120 WeakPolarHBondContact CE1-O 3.32Å; Y118-G120 VanDerWaalsContact CZ-CA 3.44Å; Y118-G120 VanDerWaalsContact OH-C 3.25Å; Y118-G120 WeakPolarHBondContact OH-CA 3.48Å; G120-L122 PolarHBondContact O-N 3.36Å
121G94Very high95.7Very high11 Ų1133.6 Ų33.611%0.11319%0.19CC..  trans-66.4133.4174.800000111.5E91 Y118E91-G121 PolarHBondContact N-O 3.39Å; E91-G121 PolarHBondContact OE1-N 3.32Å; Y118-G121 PolarHBondContact OH-N 3.45Å; Y118-G121 PolarHBondContact OH-O 3.45Å
122L96.5Very high95.7Very high3 Ų335.2 Ų35.22%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-121.4163.5171.369.886.1000111.3L44 V88 L89 Y118 G120 V189 Q254L44-L122 HydrophobicContact CD1-CB 3.59Å; L44-L122 HydrophobicContact CD1-CD2 4.24Å; V88-L122 HydrophobicContact CG1-CD1 3.86Å; L89-L122 CarbonylContact O-C 3.58Å; L89-L122 WeakPolarHBondContact O-CA 3.35Å; Y118-L122 HydrophobicContact CE1-CB 4.24Å; G120-L122 PolarHBondContact O-N 3.36Å; L122-V189 HydrophobicContact CD1-CG1 3.38Å; L122-V189 HydrophobicContact CD2-CG1 4.47Å; L122-V189 HydrophobicContact CG-CG1 3.98Å; L122-Q254 PolarHBondContact O-NE2 3.32Å; L122-Q254 VanDerWaalsContact O-NE2 3.14Å
123A98.2Very high95.9Very high1 Ų140.4 Ų40.41%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-132.7135.417400000110.1A4 L8 V88 L89 Q254 T266A4-A123 VanDerWaalsContact C-CB 3.42Å; A4-A123 HydrophobicContact CB-CB 3.66Å; L8-A123 HydrophobicContact CB-CB 4.08Å; L8-A123 HydrophobicContact CD1-CB 3.84Å; L8-A123 VanDerWaalsContact CD1-O 3.25Å; L8-A123 WeakPolarHBondContact CD1-O 3.31Å; V88-A123 WeakPolarHBondContact CA-O 3.49Å; V88-A123 WeakPolarHBondContact CG1-O 3.24Å; L89-A123 PolarHBondContact N-O 3.28Å; L89-A123 PolarHBondContact O-N 2.79Å; A123-Q254 VanDerWaalsContact CA-OE1 3.25Å; A123-T266 HydrophobicContact CB-CG2 3.94Å
124D98.3Very high96Very high4 Ų434.1 Ų34.12%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-119.9134177.2-154.7-17.3000110.8V88 H187 T218 Q254V88-D124 HydrophobicContact CG1-CB 4.41Å; V88-D124 HydrophobicContact CG2-CB 4.33Å; V88-D124 VanDerWaalsContact CG2-CG 3.47Å; V88-D124 VanDerWaalsContact CG2-OD1 3.29Å; V88-D124 WeakPolarHBondContact CG2-OD1 3.39Å; V88-D124 WeakPolarHBondContact CG2-OD2 3.41Å; D124-H187 IonicContact OD2-CE1 3Å; D124-H187 IonicContact OD2-NE2 3.64Å; D124-T218 HydrophobicContact CB-CG2 4.08Å; D124-Q254 WeakPolarHBondContact O-CB 3.27Å
125S98.7Very high96.2Very high0 Ų033.2 Ų33.20%021%0.21CC..EExtended strand (participates in β ladder)trans-171.1143.2179.1-1620000112.6H12 D86 M87 E252H12-S125 PolarHBondContact NE2-O 3.17Å; H12-S125 PolarHBondContact NE2-OG 3.39Å; D86-S125 WeakPolarHBondContact CA-O 3.29Å; M87-S125 PolarHBondContact N-O 2.86Å; M87-S125 PolarHBondContact O-N 3.04Å; S125-E252 PolarHBondContact OG-O 2.89Å
126C98.9Very high96.6Very high0 Ų038 Ų380%023%0.234CC..EExtended strand (participates in β ladder)trans-126.7130.7173.1177.30000110.2V85 D86 Q250 Y251 E252V85-C126 WeakPolarHBondContact O-CA 3.48Å; D86-C126 HydrophobicContact CB-CB 3.73Å; D86-C126 WeakPolarHBondContact OD2-CB 3.45Å; C126-Q250 HydrophobicContact CB-CG 4.22Å; C126-Q250 VanDerWaalsContact SG-CD 3.59Å; C126-Q250 PolarHBondContact SG-OE1 3.27Å; C126-Y251 CarbonylContact O-C 3.59Å; C126-Y251 VanDerWaalsContact O-CA 3.31Å; C126-Y251 WeakPolarHBondContact O-CA 3.41Å; C126-E252 HydrophobicContact CB-CB 3.94Å; C126-E252 PolarHBondContact N-OE2 2.81Å; C126-E252 PolarHBondContact O-N 3.28Å
127W98.8Very high97Very high1 Ų136.9 Ų36.90%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-126.1141.2176.6-128.7-118.1000111.2K84 V85 Y129 L149 Y251 E252 H253 Y274K84-W127 WeakPolarHBondContact CA-O 3.33Å; V85-W127 PolarHBondContact N-O 3.02Å; V85-W127 PolarHBondContact O-N 2.94Å; W127-Y129 HydrophobicContact CB-CE2 3.95Å; W127-Y129 VanDerWaalsContact O-CD2 3.29Å; W127-Y129 WeakPolarHBondContact O-CD2 3.29Å; W127-Y129 WeakPolarHBondContact O-CE2 3.49Å; W127-L149 HydrophobicContact CH2-CD2 3.41Å; W127-L149 VanDerWaalsContact CH2-CD2 3.41Å; W127-L149 HydrophobicContact CZ3-CD2 3.61Å; W127-Y251 AromaticContact CD1-CE1 3.94Å; W127-Y251 AromaticContact CD2-CD1 3.49Å; W127-Y251 HydrophobicContact CD2-CD1 3.49Å; W127-Y251 VanDerWaalsContact CD2-CD1 3.49Å; W127-Y251 AromaticContact CD2-CE1 3.98Å; W127-Y251 HydrophobicContact CD2-CE1 3.98Å; W127-Y251 AromaticContact CE2-CD1 3.47Å; W127-Y251 VanDerWaalsContact CE2-CD1 3.47Å; W127-Y251 AromaticContact CE2-CE1 3.72Å; W127-Y251 AromaticContact CE3-CD1 3.78Å; W127-Y251 HydrophobicContact CE3-CD1 3.78Å; W127-Y251 AromaticContact CG-CD1 3.94Å; W127-Y251 HydrophobicContact CG-CD1 3.94Å; W127-Y251 HydrophobicContact CG-CE1 4.06Å; W127-Y251 AromaticContact CH2-CD1 3.9Å; W127-Y251 HydrophobicContact CH2-CD1 3.9Å; W127-Y251 HydrophobicContact CH2-CG 4.46Å; W127-Y251 AromaticContact CZ2-CD1 3.68Å; W127-Y251 HydrophobicContact CZ2-CD1 3.68Å; W127-Y251 HydrophobicContact CZ2-CE1 4.12Å; W127-Y251 AromaticContact CZ3-CD1 3.95Å; W127-Y251 HydrophobicContact CZ3-CD1 3.95Å; W127-Y251 HydrophobicContact CZ3-CG 4.48Å; W127-Y251 AromaticContact NE1-CE1 3.76Å; W127-E252 VanDerWaalsContact CZ3-O 3.27Å; W127-E252 WeakPolarHBondContact CZ3-O 3.41Å; W127-H253 AromaticContact CH2-CD2 3.66Å; W127-H253 AromaticContact CH2-CE1 3.7Å; W127-H253 AromaticContact CH2-NE2 3.17Å; W127-H253 WeakPolarHBondContact CH2-NE2 3.32Å; W127-H253 AromaticContact CZ2-NE2 3.98Å; W127-H253 AromaticContact CZ3-CD2 3.88Å; W127-H253 AromaticContact CZ3-CE1 3.69Å; W127-H253 AromaticContact CZ3-NE2 3.57Å; W127-Y274 AromaticContact CE2-CD2 3.89Å; W127-Y274 AromaticContact CE2-CE2 3.64Å; W127-Y274 HydrophobicContact CH2-CE2 4.03Å; W127-Y274 AromaticContact CZ2-CD2 3.83Å; W127-Y274 HydrophobicContact CZ2-CD2 3.83Å; W127-Y274 AromaticContact CZ2-CE2 3.27Å; W127-Y274 HydrophobicContact CZ2-CE2 3.27Å; W127-Y274 AromaticContact NE1-CD2 3.6Å; W127-Y274 AromaticContact NE1-CE2 3.85Å
128A98.9Very high97.4Very high6 Ų633 Ų335%0.0520%0.201CC..EExtended strand (participates in β ladder)trans-93141.9173.500000112.3L82 L83 K84 M142 C249 Y251L82-A128 HydrophobicContact CD1-CB 4.05Å; L83-A128 CarbonylContact O-C 3.52Å; L83-A128 WeakPolarHBondContact O-CA 3.48Å; K84-A128 HydrophobicContact CG-CB 3.84Å; A128-M142 HydrophobicContact CB-CE 4.29Å; A128-C249 WeakPolarHBondContact CB-SG 3.24Å; A128-Y251 HydrophobicContact CB-CD1 4.47Å; A128-Y251 HydrophobicContact CB-CE1 3.91Å; A128-Y251 HydrophobicContact CB-CE2 3.96Å
129Y98.8Very high97.7Very high13 Ų1335.2 Ų35.25%0.05121%0.212CC..EExtended strand (participates in β ladder)trans-128.1125.6-177-56-92.8000109.3H12 L15 R16 I19 L83 V85 W127H12-Y129 WeakPolarHBondContact CA-OH 3.14Å; H12-Y129 WeakPolarHBondContact CB-OH 3.46Å; H12-Y129 PolarHBondContact ND1-OH 2.87Å; L15-Y129 HydrophobicContact CB-CE1 4.05Å; R16-Y129 HydrophobicContact CB-CE1 4.17Å; I19-Y129 HydrophobicContact CD1-CD1 3.77Å; I19-Y129 HydrophobicContact CD1-CD2 3.58Å; I19-Y129 HydrophobicContact CD1-CE1 4.08Å; I19-Y129 HydrophobicContact CD1-CE2 3.93Å; I19-Y129 HydrophobicContact CD1-CG 3.52Å; I19-Y129 HydrophobicContact CG2-CG 4.45Å; L83-Y129 PolarHBondContact N-O 2.65Å; L83-Y129 PolarHBondContact O-N 2.81Å; V85-Y129 HydrophobicContact CB-CE2 3.9Å; V85-Y129 HydrophobicContact CG2-CD2 4.02Å; V85-Y129 HydrophobicContact CG2-CE2 3.84Å; W127-Y129 HydrophobicContact CB-CE2 3.95Å; W127-Y129 VanDerWaalsContact O-CD2 3.29Å; W127-Y129 WeakPolarHBondContact O-CD2 3.29Å; W127-Y129 WeakPolarHBondContact O-CE2 3.49Å
130A98.7Very high98.1Very high38 Ų3834.9 Ų34.931%0.31420%0.202SC..EExtended strand (participates in β ladder)trans-77.3123.4168.400000109.2G132 V134 M142A130-G132 PolarHBondContact O-N 3.34Å; A130-V134 HydrophobicContact CB-CB 4.4Å; A130-V134 HydrophobicContact CB-CG1 3.66Å; A130-V134 HydrophobicContact CB-CG2 3.76Å; A130-M142 HydrophobicContact CB-CE 4.11Å; A130-M142 HydrophobicContact CB-SD 4Å
131V98.9Very high98.4Very high0 Ų033.6 Ų33.60%019%0.189CC..  trans-87.996.7177.2-175.60000109.2I19 P21 L77 K78 G80 D81 L83I19-V131 HydrophobicContact CG2-CG2 3.99Å; P21-V131 HydrophobicContact CB-CG1 4.31Å; P21-V131 HydrophobicContact CG-CG1 3.98Å; L77-V131 HydrophobicContact CB-CG1 3.81Å; L77-V131 HydrophobicContact CB-CG2 4.37Å; L77-V131 HydrophobicContact CD1-CG2 4.16Å; L77-V131 HydrophobicContact CD2-CG2 4.44Å; K78-V131 WeakPolarHBondContact O-CB 3.39Å; K78-V131 WeakPolarHBondContact O-CG1 3.11Å; G80-V131 PolarHBondContact N-O 3.36Å; D81-V131 HydrophobicContact CB-CB 3.91Å; D81-V131 HydrophobicContact CB-CG2 3.84Å; D81-V131 WeakPolarHBondContact O-CB 3.4Å; D81-V131 WeakPolarHBondContact O-CG2 3.44Å; D81-V131 PolarHBondContact O-N 2.99Å; L83-V131 HydrophobicContact CB-CG2 4.35Å
132G98.5Very high98.6Very high33 Ų3334 Ų3434%0.3419%0.188SC..SBendtrans72.5-146.2-176.300000111.8A130 V134A130-G132 PolarHBondContact O-N 3.34Å; G132-V134 PolarHBondContact O-N 3.14Å
133E98.6Very high98.7Very high132 Ų13238.6 Ų38.662%0.61721%0.213SC*.SBendtrans-80116.2172-65.9-62.6154.200110.7E79 G80 K139E79-E133 WeakPolarHBondContact OE1-CA 3.29Å; E79-E133 VanDerWaalsContact OE1-CB 3.25Å; E79-E133 WeakPolarHBondContact OE1-CB 3.38Å; E79-E133 PolarHBondContact OE1-N 2.74Å; G80-E133 PolarHBondContact N-O 2.82Å; E133-K139 IonicContact OE2-NZ 3.86Å; E133-K139 PolarHBondContact OE2-NZ 3.28Å; E133-K139 VanDerWaalsContact OE2-NZ 3.17Å
134V98.6Very high98.7Very high12 Ų1239 Ų397%0.07322%0.216CC..PPolyproline II helixtrans-98.3159.6176.7-65.30000111.5A130 G132 V138 K139A130-V134 HydrophobicContact CB-CB 4.4Å; A130-V134 HydrophobicContact CB-CG1 3.66Å; A130-V134 HydrophobicContact CB-CG2 3.76Å; G132-V134 PolarHBondContact O-N 3.14Å; V134-V138 HydrophobicContact CB-CB 3.83Å; V134-V138 HydrophobicContact CB-CG1 3.66Å; V134-V138 HydrophobicContact CB-CG2 4.44Å; V134-V138 HydrophobicContact CG1-CG1 3.93Å; V134-V138 HydrophobicContact CG2-CB 4.17Å; V134-V138 HydrophobicContact CG2-CG1 3.84Å; V134-K139 HydrophobicContact CG2-CD 4.37Å; V134-K139 HydrophobicContact CG2-CG 3.61Å; V134-K139 VanDerWaalsContact O-CE 3.23Å; V134-K139 WeakPolarHBondContact O-CE 3.39Å; V134-K139 PolarHBondContact O-NZ 3.14Å
135S98.6Very high98.8Very high60 Ų6038.9 Ų38.942%0.4222%0.215SC..PPolyproline II helixtrans-65.5160.4177.869.20000112E137 V138 K139S135-E137 PolarHBondContact O-N 3Å; S135-V138 PolarHBondContact O-N 3.17Å; S135-V138 VanDerWaalsContact O-N 3.12Å; S135-V138 WeakPolarHBondContact OG-CG2 3.33Å; S135-V138 PolarHBondContact OG-N 3.4Å; S135-K139 WeakPolarHBondContact O-CG 3.42Å; S135-K139 PolarHBondContact O-N 2.88Å
136D98.7Very high98.8Very high119 Ų11940.7 Ų40.764%0.63622%0.223SC*.Hα-helixtrans-58.5-30.9173.8-67.5-20000112.1K139 N140D136-K139 PolarHBondContact O-N 3.4Å; D136-N140 VanDerWaalsContact O-CB 3.25Å; D136-N140 WeakPolarHBondContact O-CB 3.35Å; D136-N140 PolarHBondContact O-N 2.9Å; D136-N140 PolarHBondContact O-ND2 3.34Å
137E98.7Very high98.8Very high106 Ų10643.1 Ų43.150%0.49523%0.234SC..Hα-helixtrans-63.1-47.1174.9-176.7178-161.300111.8S135 L141 T225 L247S135-E137 PolarHBondContact O-N 3Å; E137-L141 WeakPolarHBondContact O-CB 3.49Å; E137-L141 PolarHBondContact O-N 3.5Å; E137-T225 HydrophobicContact CG-CG2 4.16Å; E137-L247 HydrophobicContact CG-CD1 4.28Å
138V98.9Very high98.8Very high4 Ų443 Ų432%0.02423%0.234CC..Hα-helixtrans-65.5-44.2176.3174.20000110.5L82 V134 S135 N140 L141 M142 L247L82-V138 HydrophobicContact CB-CG1 4.03Å; L82-V138 HydrophobicContact CD1-CG1 4.25Å; L82-V138 HydrophobicContact CD2-CG1 4.41Å; L82-V138 HydrophobicContact CG-CG1 4.47Å; V134-V138 HydrophobicContact CB-CB 3.83Å; V134-V138 HydrophobicContact CB-CG1 3.66Å; V134-V138 HydrophobicContact CB-CG2 4.44Å; V134-V138 HydrophobicContact CG1-CG1 3.93Å; V134-V138 HydrophobicContact CG2-CB 4.17Å; V134-V138 HydrophobicContact CG2-CG1 3.84Å; S135-V138 PolarHBondContact O-N 3.17Å; S135-V138 VanDerWaalsContact O-N 3.12Å; S135-V138 WeakPolarHBondContact OG-CG2 3.33Å; S135-V138 PolarHBondContact OG-N 3.4Å; V138-N140 PolarHBondContact O-N 2.92Å; V138-L141 PolarHBondContact O-N 2.95Å; V138-M142 HydrophobicContact CG1-CG 4.3Å; V138-M142 HydrophobicContact CG1-SD 3.87Å; V138-M142 VanDerWaalsContact O-CG 3.3Å; V138-M142 WeakPolarHBondContact O-CG 3.48Å; V138-M142 PolarHBondContact O-N 3.43Å; V138-L247 HydrophobicContact CG2-CD1 3.65Å
139K98.8Very high98.8Very high77 Ų7742.8 Ų42.834%0.33523%0.231SC..Hα-helixtrans-57.5-51.4177.4-67.3178.8176.2168.10110.8E133 V134 S135 D136 L141 M142 D143E133-K139 IonicContact OE2-NZ 3.86Å; E133-K139 PolarHBondContact OE2-NZ 3.28Å; E133-K139 VanDerWaalsContact OE2-NZ 3.17Å; V134-K139 HydrophobicContact CG2-CD 4.37Å; V134-K139 HydrophobicContact CG2-CG 3.61Å; V134-K139 VanDerWaalsContact O-CE 3.23Å; V134-K139 WeakPolarHBondContact O-CE 3.39Å; V134-K139 PolarHBondContact O-NZ 3.14Å; S135-K139 WeakPolarHBondContact O-CG 3.42Å; S135-K139 PolarHBondContact O-N 2.88Å; D136-K139 PolarHBondContact O-N 3.4Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-L141 PolarHBondContact O-N 3.41Å; K139-M142 PolarHBondContact O-N 3.44Å; K139-D143 WeakPolarHBondContact O-CB 3.13Å; K139-D143 VanDerWaalsContact O-CG 3.31Å; K139-D143 PolarHBondContact O-N 3.03Å
140N98.8Very high98.8Very high85 Ų8542.6 Ų42.646%0.45523%0.231SC..Hα-helixtrans-62.3-40.6179.3-69-29.7000112D136 V138 D143 V144 Y178D136-N140 VanDerWaalsContact O-CB 3.25Å; D136-N140 WeakPolarHBondContact O-CB 3.35Å; D136-N140 PolarHBondContact O-N 2.9Å; D136-N140 PolarHBondContact O-ND2 3.34Å; V138-N140 PolarHBondContact O-N 2.92Å; N140-D143 PolarHBondContact O-N 3.16Å; N140-V144 WeakPolarHBondContact O-CB 3.34Å; N140-V144 VanDerWaalsContact O-CG2 3.28Å; N140-V144 WeakPolarHBondContact O-CG2 3.41Å; N140-V144 PolarHBondContact O-N 2.96Å; N140-Y178 WeakPolarHBondContact CB-OH 3.46Å
141L98.9Very high98.8Very high0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-61-50.1175.6177.866.5000111L82 E137 V138 K139 D143 V144 T145 Y178 I223 T225 L247 C249L82-L141 HydrophobicContact CD2-CD2 3.98Å; E137-L141 WeakPolarHBondContact O-CB 3.49Å; E137-L141 PolarHBondContact O-N 3.5Å; V138-L141 PolarHBondContact O-N 2.95Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-L141 PolarHBondContact O-N 3.41Å; L141-D143 VanDerWaalsContact C-N 3.34Å; L141-D143 PolarHBondContact O-N 3.08Å; L141-V144 PolarHBondContact O-N 3.28Å; L141-T145 PolarHBondContact O-N 3.09Å; L141-T145 PolarHBondContact O-OG1 3.3Å; L141-Y178 HydrophobicContact CB-CE1 4.02Å; L141-Y178 HydrophobicContact CD1-CD1 3.52Å; L141-Y178 HydrophobicContact CD1-CE1 3.49Å; L141-Y178 VanDerWaalsContact CD1-CE1 3.49Å; L141-Y178 HydrophobicContact CG-CE1 4.37Å; L141-Y178 PolarHBondContact N-OH 3Å; L141-I223 HydrophobicContact CD1-CB 4.35Å; L141-I223 HydrophobicContact CD1-CG2 4.03Å; L141-T225 HydrophobicContact CB-CG2 4.43Å; L141-T225 HydrophobicContact CD1-CG2 4.18Å; L141-T225 HydrophobicContact CD2-CG2 4.03Å; L141-T225 HydrophobicContact CG-CG2 4.44Å; L141-L247 HydrophobicContact CD2-CB 3.67Å; L141-C249 HydrophobicContact CD1-CB 4.32Å; L141-C249 HydrophobicContact CD2-CB 3.77Å; L141-C249 HydrophobicContact CG-CB 3.65Å
142M98.8Very high98.8Very high20 Ų2042 Ų4210%0.09922%0.222CC..Hα-helixtrans-59.5-44.3178.8-70.6175.673.100112L82 A128 A130 V138 K139 T145 K146 Y251L82-M142 HydrophobicContact CD1-CE 4.27Å; L82-M142 HydrophobicContact CD1-CG 3.71Å; L82-M142 HydrophobicContact CD1-SD 3.64Å; A128-M142 HydrophobicContact CB-CE 4.29Å; A130-M142 HydrophobicContact CB-CE 4.11Å; A130-M142 HydrophobicContact CB-SD 4Å; V138-M142 HydrophobicContact CG1-CG 4.3Å; V138-M142 HydrophobicContact CG1-SD 3.87Å; V138-M142 VanDerWaalsContact O-CG 3.3Å; V138-M142 WeakPolarHBondContact O-CG 3.48Å; V138-M142 PolarHBondContact O-N 3.43Å; K139-M142 PolarHBondContact O-N 3.44Å; M142-T145 PolarHBondContact O-N 3.38Å; M142-K146 WeakPolarHBondContact O-CB 3.46Å; M142-K146 PolarHBondContact O-N 3.42Å; M142-Y251 HydrophobicContact CB-CE2 4.45Å; M142-Y251 VanDerWaalsContact CE-OH 3.28Å; M142-Y251 WeakPolarHBondContact CE-OH 3.35Å; M142-Y251 WeakPolarHBondContact O-CE2 3.21Å
143D98.7Very high98.8Very high99 Ų9940.7 Ų40.753%0.52921%0.207SC..Hα-helixtrans-63.9-43.6179-71.8-17.1000111.4K139 N140 L141 K146 E147K139-D143 WeakPolarHBondContact O-CB 3.13Å; K139-D143 VanDerWaalsContact O-CG 3.31Å; K139-D143 PolarHBondContact O-N 3.03Å; N140-D143 PolarHBondContact O-N 3.16Å; L141-D143 VanDerWaalsContact C-N 3.34Å; L141-D143 PolarHBondContact O-N 3.08Å; D143-K146 PolarHBondContact O-N 3.31Å; D143-E147 WeakPolarHBondContact O-CB 3.29Å; D143-E147 PolarHBondContact O-N 3.09Å
144V98.9Very high98.8Very high11 Ų1139.4 Ų39.47%0.06720%0.201CC..Hα-helixtrans-65.1-45.4177.1169.30000111.4N140 L141 K146 E147 C148 Y172 Y178 I223N140-V144 WeakPolarHBondContact O-CB 3.34Å; N140-V144 VanDerWaalsContact O-CG2 3.28Å; N140-V144 WeakPolarHBondContact O-CG2 3.41Å; N140-V144 PolarHBondContact O-N 2.96Å; L141-V144 PolarHBondContact O-N 3.28Å; V144-K146 PolarHBondContact O-N 3.13Å; V144-E147 PolarHBondContact O-N 2.79Å; V144-C148 WeakPolarHBondContact O-CB 3.29Å; V144-C148 PolarHBondContact O-N 3.46Å; V144-C148 PolarHBondContact O-SG 3.29Å; V144-Y172 HydrophobicContact CG1-CD1 4.31Å; V144-Y172 HydrophobicContact CG1-CE1 4.1Å; V144-Y172 HydrophobicContact CG2-CE1 4.44Å; V144-Y178 HydrophobicContact CB-CD2 4.37Å; V144-Y178 HydrophobicContact CB-CE2 4.18Å; V144-Y178 HydrophobicContact CG1-CD2 3.89Å; V144-Y178 HydrophobicContact CG1-CE2 4.21Å; V144-Y178 HydrophobicContact CG1-CG 4.36Å; V144-Y178 HydrophobicContact CG2-CD2 4.27Å; V144-Y178 HydrophobicContact CG2-CE2 3.78Å; V144-I223 HydrophobicContact CG1-CG2 4.45Å
145T98.9Very high98.8Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-62.2-43.2178.1-55.80000111.8L141 M142 C148 L149 P221 I223 C249 Y251L141-T145 PolarHBondContact O-N 3.09Å; L141-T145 PolarHBondContact O-OG1 3.3Å; M142-T145 PolarHBondContact O-N 3.38Å; T145-C148 WeakPolarHBondContact O-CB 3.48Å; T145-C148 PolarHBondContact O-N 2.72Å; T145-L149 PolarHBondContact O-N 3.38Å; T145-P221 HydrophobicContact CG2-CG 4.5Å; T145-P221 VanDerWaalsContact CG2-O 3.29Å; T145-P221 WeakPolarHBondContact CG2-O 3.48Å; T145-I223 HydrophobicContact CG2-CB 4.43Å; T145-I223 HydrophobicContact CG2-CG1 4Å; T145-I223 WeakPolarHBondContact OG1-CB 3.32Å; T145-C249 HydrophobicContact CG2-CB 4.19Å; T145-C249 VanDerWaalsContact CG2-O 3.29Å; T145-C249 WeakPolarHBondContact CG2-O 3.44Å; T145-C249 WeakPolarHBondContact OG1-CB 3.46Å; T145-Y251 HydrophobicContact CG2-CD2 3.71Å; T145-Y251 HydrophobicContact CG2-CE2 4.5Å
146K98.8Very high98.8Very high38 Ų3840 Ų4017%0.16520%0.195CC..Hα-helixtrans-65.2-40.9178-168.7178.6-61.2-178.90111.2M142 D143 V144 C148 L149 Y150 Y251 Y274M142-K146 WeakPolarHBondContact O-CB 3.46Å; M142-K146 PolarHBondContact O-N 3.42Å; D143-K146 PolarHBondContact O-N 3.31Å; V144-K146 PolarHBondContact O-N 3.13Å; K146-C148 VanDerWaalsContact C-N 3.35Å; K146-L149 WeakPolarHBondContact O-CB 3.27Å; K146-L149 PolarHBondContact O-N 3.19Å; K146-Y150 HydrophobicContact CD-CE2 4.47Å; K146-Y150 HydrophobicContact CG-CD2 4.18Å; K146-Y150 HydrophobicContact CG-CE2 3.91Å; K146-Y150 VanDerWaalsContact O-CD2 3.27Å; K146-Y150 WeakPolarHBondContact O-CD2 3.49Å; K146-Y150 PolarHBondContact O-N 3.23Å; K146-Y251 HydrophobicContact CB-CD2 3.82Å; K146-Y251 HydrophobicContact CB-CE2 3.75Å; K146-Y251 HydrophobicContact CB-CG 4.42Å; K146-Y251 VanDerWaalsContact CE-OH 3.32Å; K146-Y251 WeakPolarHBondContact CE-OH 3.07Å; K146-Y251 HydrophobicContact CG-CD2 4.48Å; K146-Y251 HydrophobicContact CG-CE2 4.49Å; K146-Y274 PolarHBondContact NZ-O 2.86Å
147E98.8Very high98.8Very high51 Ų5136.5 Ų36.524%0.23818%0.178CC..Hα-helixtrans-65.5-39.5175.5-170.161.1-152.400111.7D143 V144 L149 Y150 I151 Y172 R272D143-E147 WeakPolarHBondContact O-CB 3.29Å; D143-E147 PolarHBondContact O-N 3.09Å; V144-E147 PolarHBondContact O-N 2.79Å; E147-L149 VanDerWaalsContact C-N 3.28Å; E147-L149 PolarHBondContact O-N 3.25Å; E147-Y150 PolarHBondContact O-N 3.41Å; E147-I151 HydrophobicContact CG-CD1 3.72Å; E147-I151 HydrophobicContact CG-CG1 4.16Å; E147-I151 WeakPolarHBondContact O-CB 3.39Å; E147-I151 VanDerWaalsContact O-CG1 3.32Å; E147-I151 WeakPolarHBondContact O-CG1 3.32Å; E147-I151 PolarHBondContact O-N 3.28Å; E147-Y172 HydrophobicContact CB-CE1 3.68Å; E147-Y172 HydrophobicContact CG-CD1 4.42Å; E147-Y172 HydrophobicContact CG-CE1 3.69Å; E147-Y172 HydrophobicContact CG-CE2 3.82Å; E147-Y172 WeakPolarHBondContact CG-OH 3.42Å; E147-R272 IonicContact OE1-CZ 2.74Å; E147-R272 IonicContact OE1-NH1 3.8Å; E147-R272 PolarHBondContact OE1-NH1 2.91Å; E147-R272 IonicContact OE1-NH2 3.61Å; E147-R272 PolarHBondContact OE1-NH2 3.4Å; E147-R272 IonicContact OE2-CZ 3.4Å; E147-R272 IonicContact OE2-NH1 2.88Å; E147-R272 PolarHBondContact OE2-NH1 2.9Å; E147-R272 IonicContact OE2-NH2 3.52Å
148C98.9Very high98.8Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-55.4-43.7172.3-76.20000112V144 T145 K146 Y150 I151 G152 I169 P221 I223V144-C148 WeakPolarHBondContact O-CB 3.29Å; V144-C148 PolarHBondContact O-N 3.46Å; V144-C148 PolarHBondContact O-SG 3.29Å; T145-C148 WeakPolarHBondContact O-CB 3.48Å; T145-C148 PolarHBondContact O-N 2.72Å; K146-C148 VanDerWaalsContact C-N 3.35Å; C148-Y150 PolarHBondContact O-N 3.14Å; C148-I151 PolarHBondContact O-N 2.79Å; C148-G152 PolarHBondContact O-N 3.05Å; C148-I169 HydrophobicContact CB-CG2 3.8Å; C148-I169 WeakPolarHBondContact O-CG1 3.29Å; C148-P221 HydrophobicContact CB-CB 3.99Å; C148-P221 HydrophobicContact CB-CG 3.96Å; C148-I223 HydrophobicContact CB-CD1 4.49Å
149L98.9Very high98.7Very high0 Ų036.7 Ų36.70%019%0.194CC..Hα-helixtrans-56.3-53.8178167.962.4000110.6W127 T145 K146 E147 G152 I153 I219 P221 H253W127-L149 HydrophobicContact CH2-CD2 3.41Å; W127-L149 VanDerWaalsContact CH2-CD2 3.41Å; W127-L149 HydrophobicContact CZ3-CD2 3.61Å; T145-L149 PolarHBondContact O-N 3.38Å; K146-L149 WeakPolarHBondContact O-CB 3.27Å; K146-L149 PolarHBondContact O-N 3.19Å; E147-L149 VanDerWaalsContact C-N 3.28Å; E147-L149 PolarHBondContact O-N 3.25Å; L149-G152 PolarHBondContact O-N 3.36Å; L149-I153 HydrophobicContact CD1-CD1 3.69Å; L149-I153 HydrophobicContact CD1-CG1 4.27Å; L149-I153 HydrophobicContact CG-CD1 3.98Å; L149-I153 WeakPolarHBondContact O-CG1 3.22Å; L149-I153 PolarHBondContact O-N 2.9Å; L149-I219 HydrophobicContact CD1-CB 4.12Å; L149-I219 HydrophobicContact CD1-CG2 3.79Å; L149-I219 WeakPolarHBondContact CD1-O 3.47Å; L149-P221 HydrophobicContact CB-CG 3.93Å; L149-H253 HydrophobicContact CD1-CB 4.33Å
150Y98.9Very high98.7Very high10 Ų1035.4 Ų35.44%0.03919%0.191CC..Hα-helixtrans-69.3-39.9-177.4-72.7-69.7000113.1K146 E147 C148 G152 I153 E154 I264 E271 R272 Y274K146-Y150 HydrophobicContact CD-CE2 4.47Å; K146-Y150 HydrophobicContact CG-CD2 4.18Å; K146-Y150 HydrophobicContact CG-CE2 3.91Å; K146-Y150 VanDerWaalsContact O-CD2 3.27Å; K146-Y150 WeakPolarHBondContact O-CD2 3.49Å; K146-Y150 PolarHBondContact O-N 3.23Å; E147-Y150 PolarHBondContact O-N 3.41Å; C148-Y150 PolarHBondContact O-N 3.14Å; Y150-G152 VanDerWaalsContact C-N 3.25Å; Y150-G152 PolarHBondContact O-N 2.86Å; Y150-I153 PolarHBondContact O-N 3.07Å; Y150-E154 WeakPolarHBondContact O-CB 3.49Å; Y150-E154 VanDerWaalsContact O-CG 3.29Å; Y150-E154 WeakPolarHBondContact O-CG 3.16Å; Y150-E154 PolarHBondContact O-N 3.01Å; Y150-I264 HydrophobicContact CE1-CD1 4Å; Y150-E271 HydrophobicContact CE1-CB 3.86Å; Y150-E271 HydrophobicContact CE1-CG 4.31Å; Y150-E271 WeakPolarHBondContact CE1-OE2 3.47Å; Y150-E271 PolarHBondContact OH-OE2 3.23Å; Y150-R272 HydrophobicContact CD1-CG 4.09Å; Y150-R272 HydrophobicContact CD2-CG 3.47Å; Y150-R272 VanDerWaalsContact CD2-CG 3.47Å; Y150-R272 HydrophobicContact CE1-CG 4.13Å; Y150-R272 HydrophobicContact CE2-CB 4.21Å; Y150-R272 HydrophobicContact CE2-CG 3.5Å; Y150-R272 HydrophobicContact CG-CG 3.76Å; Y150-R272 PolarHBondContact OH-N 3.25Å; Y150-Y274 PolarHBondContact OH-OH 2.82Å
151I98.8Very high98.7Very high24 Ų2435 Ų3512%0.12318%0.183CC..Hα-helixtrans-57.5-42.5172.7-74.8175000110.5E147 C148 E154 K155 A168 Y172E147-I151 HydrophobicContact CG-CD1 3.72Å; E147-I151 HydrophobicContact CG-CG1 4.16Å; E147-I151 WeakPolarHBondContact O-CB 3.39Å; E147-I151 VanDerWaalsContact O-CG1 3.32Å; E147-I151 WeakPolarHBondContact O-CG1 3.32Å; E147-I151 PolarHBondContact O-N 3.28Å; C148-I151 PolarHBondContact O-N 2.79Å; I151-E154 PolarHBondContact O-N 3.18Å; I151-K155 WeakPolarHBondContact O-CG 3.37Å; I151-K155 PolarHBondContact O-N 2.91Å; I151-A168 HydrophobicContact CG2-CB 3.67Å; I151-Y172 HydrophobicContact CD1-CD1 4.13Å; I151-Y172 HydrophobicContact CD1-CD2 3.24Å; I151-Y172 HydrophobicContact CD1-CE2 3.72Å; I151-Y172 HydrophobicContact CD1-CG 3.49Å; I151-Y172 VanDerWaalsContact CD1-CG 3.49Å
152G98.9Very high98.7Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-59.5-51.2175.400000112.2C148 L149 Y150 E154 K155 A156 I219C148-G152 PolarHBondContact O-N 3.05Å; L149-G152 PolarHBondContact O-N 3.36Å; Y150-G152 VanDerWaalsContact C-N 3.25Å; Y150-G152 PolarHBondContact O-N 2.86Å; G152-E154 VanDerWaalsContact C-N 3.31Å; G152-E154 PolarHBondContact O-N 2.86Å; G152-K155 PolarHBondContact O-N 3.13Å; G152-A156 PolarHBondContact O-N 2.95Å; G152-I219 WeakPolarHBondContact O-CD1 3.48Å
153I98.8Very high98.7Very high7 Ų735.2 Ų35.24%0.03619%0.187CC..Hα-helixtrans-59.5-42.2179.3-66.9167.5000110.6L149 Y150 K155 A156 I219 H253 F255 P262 I264L149-I153 HydrophobicContact CD1-CD1 3.69Å; L149-I153 HydrophobicContact CD1-CG1 4.27Å; L149-I153 HydrophobicContact CG-CD1 3.98Å; L149-I153 WeakPolarHBondContact O-CG1 3.22Å; L149-I153 PolarHBondContact O-N 2.9Å; Y150-I153 PolarHBondContact O-N 3.07Å; I153-K155 PolarHBondContact O-N 2.81Å; I153-A156 WeakPolarHBondContact O-CA 3.25Å; I153-A156 VanDerWaalsContact O-CB 3.27Å; I153-A156 WeakPolarHBondContact O-CB 3.49Å; I153-A156 PolarHBondContact O-N 3.22Å; I153-I219 HydrophobicContact CG1-CB 4.27Å; I153-I219 HydrophobicContact CG1-CD1 3.98Å; I153-H253 HydrophobicContact CD1-CB 3.99Å; I153-F255 HydrophobicContact CD1-CD1 4.37Å; I153-F255 HydrophobicContact CG1-CD1 3.94Å; I153-F255 HydrophobicContact CG1-CE1 3.8Å; I153-F255 HydrophobicContact CG1-CZ 4.45Å; I153-P262 HydrophobicContact CG2-CB 3.73Å; I153-P262 HydrophobicContact CG2-CG 3.54Å; I153-P262 WeakPolarHBondContact O-CG 2.76Å; I153-I264 HydrophobicContact CD1-CD1 4.08Å; I153-I264 HydrophobicContact CD1-CG1 4.39Å; I153-I264 HydrophobicContact CG2-CG1 4.44Å
154E98.6Very high98.7Very high105 Ų10531.9 Ų31.949%0.49117%0.169SC..Hα-helixtrans-60.4-27.5176.5-74.6170.4-161.900113.3Y150 I151 G152 A156 R272Y150-E154 WeakPolarHBondContact O-CB 3.49Å; Y150-E154 VanDerWaalsContact O-CG 3.29Å; Y150-E154 WeakPolarHBondContact O-CG 3.16Å; Y150-E154 PolarHBondContact O-N 3.01Å; I151-E154 PolarHBondContact O-N 3.18Å; G152-E154 VanDerWaalsContact C-N 3.31Å; G152-E154 PolarHBondContact O-N 2.86Å; E154-A156 VanDerWaalsContact C-N 3.35Å; E154-R272 IonicContact OE1-CZ 2.99Å; E154-R272 IonicContact OE1-NH2 3.7Å; E154-R272 PolarHBondContact OE1-NH2 3.24Å
155K98.8Very high98.7Very high84 Ų8431.4 Ų31.437%0.36517%0.166SC..Hα-helixtrans-82-14.1172.5-60.8-48.5179.4-168.90113.3I151 G152 I153 V157 N160 I165 A168I151-K155 WeakPolarHBondContact O-CG 3.37Å; I151-K155 PolarHBondContact O-N 2.91Å; G152-K155 PolarHBondContact O-N 3.13Å; I153-K155 PolarHBondContact O-N 2.81Å; K155-V157 PolarHBondContact O-N 3.18Å; K155-N160 WeakPolarHBondContact O-CB 3.49Å; K155-N160 PolarHBondContact O-ND2 3.48Å; K155-I165 HydrophobicContact CB-CG1 4.01Å; K155-A168 HydrophobicContact CD-CB 4.29Å; K155-A168 HydrophobicContact CG-CB 3.61Å
156A98.6Very high98.7Very high0 Ų031.4 Ų31.40%017%0.166CC..  trans-81.155.9-176.800000113G152 I153 E154 I165 L211 I219 F255 I257G152-A156 PolarHBondContact O-N 2.95Å; I153-A156 WeakPolarHBondContact O-CA 3.25Å; I153-A156 VanDerWaalsContact O-CB 3.27Å; I153-A156 WeakPolarHBondContact O-CB 3.49Å; I153-A156 PolarHBondContact O-N 3.22Å; E154-A156 VanDerWaalsContact C-N 3.35Å; A156-I165 HydrophobicContact CB-CD1 3.87Å; A156-I165 HydrophobicContact CB-CG1 4.3Å; A156-L211 HydrophobicContact CB-CD1 4.32Å; A156-I219 HydrophobicContact CB-CD1 4.28Å; A156-F255 HydrophobicContact CB-CE2 3.4Å; A156-F255 VanDerWaalsContact CB-CE2 3.4Å; A156-F255 HydrophobicContact CB-CZ 3.46Å; A156-F255 VanDerWaalsContact CB-CZ 3.46Å; A156-I257 HydrophobicContact CB-CD1 4.27Å; A156-I257 WeakPolarHBondContact O-CG1 3.28Å
157V98.6Very high98.7Very high46 Ų4630.4 Ų30.428%0.27917%0.165SC..  trans-111.6154.5-178.9-63.50000112K155 G159 N160K155-V157 PolarHBondContact O-N 3.18Å; V157-G159 PolarHBondContact O-N 2.8Å; V157-N160 HydrophobicContact CG2-CB 4.16Å; V157-N160 WeakPolarHBondContact CG2-ND2 3.32Å; V157-N160 WeakPolarHBondContact O-CB 3.29Å; V157-N160 PolarHBondContact O-N 2.8Å
158V98.6Very high98.7Very high72 Ų7228.7 Ų28.744%0.43616%0.16SC..THydrogen-bonded Turntrans-54.3128.1178179.20000110.9E213 I257V158-E213 HydrophobicContact CG2-CB 4.04Å; V158-I257 HydrophobicContact CG2-CG2 3.77Å
159G97.4Very high98.7Very high41 Ų4128.7 Ų28.742%0.42316%0.16SC..THydrogen-bonded Turntrans98.1-27.4178.400000114.7V157 L211V157-G159 PolarHBondContact O-N 2.8Å; G159-L211 PolarHBondContact N-O 2.88Å
160N98.7Very high98.7Very high51 Ų5130.3 Ų30.327%0.27317%0.167SC..  trans-66.5176.3166.6-79.26.7000110.6K155 V157 D164 L211K155-N160 WeakPolarHBondContact O-CB 3.49Å; K155-N160 PolarHBondContact O-ND2 3.48Å; V157-N160 HydrophobicContact CG2-CB 4.16Å; V157-N160 WeakPolarHBondContact CG2-ND2 3.32Å; V157-N160 WeakPolarHBondContact O-CB 3.29Å; V157-N160 PolarHBondContact O-N 2.8Å; N160-D164 HydrophobicContact CB-CB 4.4Å; N160-L211 HydrophobicContact CB-CD1 4.12Å; N160-L211 WeakPolarHBondContact O-CB 3.47Å; N160-L211 PolarHBondContact O-N 3.48Å
161R98.8Very high98.7Very high77 Ų7736.9 Ų36.929%0.29120%0.198SC..BIsolated β-bridgetrans-126.3160.1179.1-61.5174.1174.1-82.42.4111G163 D164 G206 R207 G208 L209 R210R161-G163 PolarHBondContact O-N 2.91Å; R161-G163 VanDerWaalsContact O-N 3.15Å; R161-D164 PolarHBondContact N-OD2 2.78Å; R161-D164 VanDerWaalsContact O-CB 3.26Å; R161-D164 WeakPolarHBondContact O-CB 3.42Å; R161-D164 PolarHBondContact O-N 2.89Å; R161-G206 WeakPolarHBondContact CD-O 3.27Å; R161-G206 PolarHBondContact NE-O 2.99Å; R161-R207 WeakPolarHBondContact CB-O 3.18Å; R161-G208 PolarHBondContact NH1-O 3.46Å; R161-L209 CarbonylContact C-O 3.34Å; R161-L209 WeakPolarHBondContact CA-O 3.46Å; R161-L209 WeakPolarHBondContact CB-O 3.4Å; R161-R210 HydrophobicContact CG-CB 4.43Å
162I98.5Very high98.7Very high13 Ų1338.3 Ų38.37%0.06720%0.202CC..Hα-helixtrans-50.7-39.9175.4-67.1-71.3000111.9D164 I165 G166 P197 V199 L209 L211I162-D164 PolarHBondContact O-N 2.8Å; I162-I165 HydrophobicContact CD1-CD1 4.45Å; I162-I165 WeakPolarHBondContact O-CB 3.45Å; I162-I165 PolarHBondContact O-N 2.84Å; I162-I165 VanDerWaalsContact O-N 3.15Å; I162-G166 PolarHBondContact O-N 3.27Å; I162-P197 HydrophobicContact CD1-CB 4.29Å; I162-P197 HydrophobicContact CD1-CG 3.89Å; I162-P197 HydrophobicContact CG1-CB 4.47Å; I162-P197 HydrophobicContact CG1-CG 4.47Å; I162-V199 HydrophobicContact CD1-CB 4.44Å; I162-V199 HydrophobicContact CD1-CG1 4.16Å; I162-V199 HydrophobicContact CD1-CG2 3.95Å; I162-L209 HydrophobicContact CG1-CB 4.07Å; I162-L209 HydrophobicContact CG1-CD2 4.23Å; I162-L209 PolarHBondContact N-O 3.04Å; I162-L211 HydrophobicContact CD1-CD2 3.62Å; I162-L211 HydrophobicContact CG1-CD2 4.06Å
163G98.6Very high98.7Very high10 Ų1038.3 Ų38.310%0.10320%0.202CC..Hα-helixtrans-66.6-18.5177.900000114.8R161 A167 K204 A205 R207R161-G163 PolarHBondContact O-N 2.91Å; R161-G163 VanDerWaalsContact O-N 3.15Å; G163-A167 WeakPolarHBondContact O-CB 3.34Å; G163-A167 PolarHBondContact O-N 3.26Å; G163-K204 CarbonylContact C-O 3.48Å; G163-K204 WeakPolarHBondContact CA-O 3.43Å; G163-K204 CarbonylContact O-C 3.58Å; G163-A205 PolarHBondContact O-N 2.87Å; G163-R207 VanDerWaalsContact CA-O 3.31Å; G163-R207 WeakPolarHBondContact CA-O 3.46Å; G163-R207 PolarHBondContact N-O 3.29Å
164D98.9Very high98.7Very high30 Ų3041.8 Ų41.816%0.1622%0.219CC..Hα-helixtrans-73-36.9172.8-60.8-51.5000111.4N160 R161 I162 A168 A205 G206N160-D164 HydrophobicContact CB-CB 4.4Å; R161-D164 PolarHBondContact N-OD2 2.78Å; R161-D164 VanDerWaalsContact O-CB 3.26Å; R161-D164 WeakPolarHBondContact O-CB 3.42Å; R161-D164 PolarHBondContact O-N 2.89Å; I162-D164 PolarHBondContact O-N 2.8Å; D164-A168 WeakPolarHBondContact O-CB 3.25Å; D164-A168 PolarHBondContact O-N 3.14Å; D164-A205 VanDerWaalsContact OD1-CA 3.3Å; D164-A205 WeakPolarHBondContact OD1-CA 3.36Å; D164-A205 WeakPolarHBondContact OD1-CB 3.46Å; D164-G206 PolarHBondContact OD1-N 2.95Å
165I98.9Very high98.7Very high0 Ų040.9 Ų40.90%022%0.224CC..Hα-helixtrans-62.4-57.4173.8-61.9167.6000109K155 A156 I162 A167 A168 I169 V199 L211 I219K155-I165 HydrophobicContact CB-CG1 4.01Å; A156-I165 HydrophobicContact CB-CD1 3.87Å; A156-I165 HydrophobicContact CB-CG1 4.3Å; I162-I165 HydrophobicContact CD1-CD1 4.45Å; I162-I165 WeakPolarHBondContact O-CB 3.45Å; I162-I165 PolarHBondContact O-N 2.84Å; I162-I165 VanDerWaalsContact O-N 3.15Å; I165-A167 PolarHBondContact O-N 2.95Å; I165-A168 PolarHBondContact O-N 3.3Å; I165-I169 HydrophobicContact CG2-CD1 3.92Å; I165-I169 WeakPolarHBondContact O-CG1 3.37Å; I165-I169 PolarHBondContact O-N 3.23Å; I165-I169 VanDerWaalsContact O-N 3.13Å; I165-V199 HydrophobicContact CD1-CG1 3.98Å; I165-V199 HydrophobicContact CG2-CG1 4.11Å; I165-L211 HydrophobicContact CD1-CD1 3.93Å; I165-L211 HydrophobicContact CD1-CD2 4.4Å; I165-L211 HydrophobicContact CG1-CD1 4.43Å; I165-I219 HydrophobicContact CD1-CD1 4.23Å; I165-I219 HydrophobicContact CG2-CD1 3.64Å; I165-I219 HydrophobicContact CG2-CG1 4.16Å
166G98.8Very high98.7Very high0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-62.4-40.7-177.100000113.6I162 A168 Q170 P200 H201 Y202I162-G166 PolarHBondContact O-N 3.27Å; G166-A168 PolarHBondContact O-N 2.95Å; G166-Q170 WeakPolarHBondContact O-CB 3.41Å; G166-Q170 PolarHBondContact O-N 3.21Å; G166-P200 WeakPolarHBondContact CA-O 3.31Å; G166-H201 VanDerWaalsContact CA-C 3.43Å; G166-H201 CarbonylContact O-C 3.43Å; G166-Y202 WeakPolarHBondContact O-CA 3.15Å
167A98.9Very high98.7Very high17 Ų1745.4 Ų45.414%0.1426%0.257CS..Hα-helixtrans-64.2-39.3177.800000112.6G163 I165 E171 A205G163-A167 WeakPolarHBondContact O-CB 3.34Å; G163-A167 PolarHBondContact O-N 3.26Å; I165-A167 PolarHBondContact O-N 2.95Å; A167-E171 VanDerWaalsContact O-CB 3.25Å; A167-E171 WeakPolarHBondContact O-CB 3.46Å; A167-E171 PolarHBondContact O-N 2.92Å; A167-A205 HydrophobicContact CB-CB 4.09Å
168A98.9Very high98.7Very high15 Ų1544.8 Ų44.812%0.12425%0.25CS..Hα-helixtrans-69.5-41.7-179.400000112.4I151 K155 D164 I165 G166 Y172I151-A168 HydrophobicContact CG2-CB 3.67Å; K155-A168 HydrophobicContact CD-CB 4.29Å; K155-A168 HydrophobicContact CG-CB 3.61Å; D164-A168 WeakPolarHBondContact O-CB 3.25Å; D164-A168 PolarHBondContact O-N 3.14Å; I165-A168 PolarHBondContact O-N 3.3Å; G166-A168 PolarHBondContact O-N 2.95Å; A168-Y172 WeakPolarHBondContact O-CB 3.28Å; A168-Y172 PolarHBondContact O-N 3.23Å; A168-Y172 VanDerWaalsContact O-N 3.14Å
169I98.9Very high98.7Very high0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-62.9-50.3175-65.4171.2000110.1C148 I165 E171 Y172 A173 H201 I219 P221 I223C148-I169 HydrophobicContact CB-CG2 3.8Å; C148-I169 WeakPolarHBondContact O-CG1 3.29Å; I165-I169 HydrophobicContact CG2-CD1 3.92Å; I165-I169 WeakPolarHBondContact O-CG1 3.37Å; I165-I169 PolarHBondContact O-N 3.23Å; I165-I169 VanDerWaalsContact O-N 3.13Å; I169-E171 PolarHBondContact O-N 3.21Å; I169-Y172 PolarHBondContact O-N 3.13Å; I169-A173 PolarHBondContact O-N 3.28Å; I169-H201 HydrophobicContact CB-CB 4.32Å; I169-H201 WeakPolarHBondContact CB-O 3.35Å; I169-H201 HydrophobicContact CD1-CB 3.95Å; I169-H201 HydrophobicContact CG2-CB 3.87Å; I169-I219 HydrophobicContact CD1-CG2 4.07Å; I169-P221 HydrophobicContact CG2-CB 4.23Å; I169-I223 HydrophobicContact CG2-CD1 4.44Å
170Q98.8Very high98.7Very high34 Ų3439.7 Ų39.716%0.15921%0.213CC..Hα-helixtrans-58.9-47.9-179.9-175.1177.414.400112.7G166 Y172 A173 E174 H201 G203G166-Q170 WeakPolarHBondContact O-CB 3.41Å; G166-Q170 PolarHBondContact O-N 3.21Å; Q170-Y172 VanDerWaalsContact C-N 3.29Å; Q170-Y172 PolarHBondContact O-N 2.64Å; Q170-A173 PolarHBondContact O-N 3.49Å; Q170-E174 HydrophobicContact CG-CG 3.97Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.33Å; Q170-E174 WeakPolarHBondContact CG-OE2 3.24Å; Q170-E174 PolarHBondContact NE2-OE1 2.74Å; Q170-E174 PolarHBondContact NE2-OE2 3.45Å; Q170-E174 VanDerWaalsContact O-CB 3.27Å; Q170-E174 WeakPolarHBondContact O-CB 3.32Å; Q170-E174 WeakPolarHBondContact O-CG 3.31Å; Q170-E174 PolarHBondContact O-N 2.85Å; Q170-H201 PolarHBondContact N-O 2.92Å; Q170-G203 PolarHBondContact OE1-O 3.12Å
171E98.8Very high98.7Very high148 Ų14837.3 Ų37.369%0.69220%0.2SC*.Hα-helixtrans-58.6-43.3177.7-177.9178178.400111.3A167 I169 S175A167-E171 VanDerWaalsContact O-CB 3.25Å; A167-E171 WeakPolarHBondContact O-CB 3.46Å; A167-E171 PolarHBondContact O-N 2.92Å; I169-E171 PolarHBondContact O-N 3.21Å; E171-S175 WeakPolarHBondContact O-CB 3.27Å; E171-S175 PolarHBondContact O-N 2.62Å; E171-S175 VanDerWaalsContact O-N 3.17Å; E171-S175 PolarHBondContact O-OG 2.96Å
172Y98.9Very high98.7Very high54 Ų5437.2 Ų37.221%0.21220%0.2CC..Hα-helixtrans-66.7-47.8-179.3-172.9-91.2000112.8V144 E147 I151 A168 I169 Q170 S175 R176V144-Y172 HydrophobicContact CG1-CD1 4.31Å; V144-Y172 HydrophobicContact CG1-CE1 4.1Å; V144-Y172 HydrophobicContact CG2-CE1 4.44Å; E147-Y172 HydrophobicContact CB-CE1 3.68Å; E147-Y172 HydrophobicContact CG-CD1 4.42Å; E147-Y172 HydrophobicContact CG-CE1 3.69Å; E147-Y172 HydrophobicContact CG-CE2 3.82Å; E147-Y172 WeakPolarHBondContact CG-OH 3.42Å; I151-Y172 HydrophobicContact CD1-CD1 4.13Å; I151-Y172 HydrophobicContact CD1-CD2 3.24Å; I151-Y172 HydrophobicContact CD1-CE2 3.72Å; I151-Y172 HydrophobicContact CD1-CG 3.49Å; I151-Y172 VanDerWaalsContact CD1-CG 3.49Å; A168-Y172 WeakPolarHBondContact O-CB 3.28Å; A168-Y172 PolarHBondContact O-N 3.23Å; A168-Y172 VanDerWaalsContact O-N 3.14Å; I169-Y172 PolarHBondContact O-N 3.13Å; Q170-Y172 VanDerWaalsContact C-N 3.29Å; Q170-Y172 PolarHBondContact O-N 2.64Å; Y172-S175 PolarHBondContact O-OG 3.35Å; Y172-R176 VanDerWaalsContact CD2-NH1 3.31Å; Y172-R176 VanDerWaalsContact CZ-NE 3.32Å; Y172-R176 PolarHBondContact O-NH1 3.14Å; Y172-R176 PolarHBondContact OH-NE 2.88Å; Y172-R176 PolarHBondContact OH-NH2 2.92Å
173A98.9Very high98.7Very high0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-70.2-51-178.800000112.5I169 Q170 S175 R176 G177 Y178 V180 I223I169-A173 PolarHBondContact O-N 3.28Å; Q170-A173 PolarHBondContact O-N 3.49Å; A173-S175 VanDerWaalsContact C-N 3.33Å; A173-S175 PolarHBondContact O-N 3.32Å; A173-R176 PolarHBondContact O-N 2.76Å; A173-G177 PolarHBondContact O-N 2.99Å; A173-Y178 PolarHBondContact O-N 2.8Å; A173-V180 HydrophobicContact CB-CG2 3.54Å; A173-I223 HydrophobicContact CB-CD1 3.92Å; A173-I223 HydrophobicContact CB-CG2 4.42Å
174E98.7Very high98.7Very high81 Ų8142.6 Ų42.638%0.37923%0.226SC..Hα-helixtrans-68.8-31.7-175.1-66.8-176.3172.500111.5Q170 R176 G177 V180 R182Q170-E174 HydrophobicContact CG-CG 3.97Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.33Å; Q170-E174 WeakPolarHBondContact CG-OE2 3.24Å; Q170-E174 PolarHBondContact NE2-OE1 2.74Å; Q170-E174 PolarHBondContact NE2-OE2 3.45Å; Q170-E174 VanDerWaalsContact O-CB 3.27Å; Q170-E174 WeakPolarHBondContact O-CB 3.32Å; Q170-E174 WeakPolarHBondContact O-CG 3.31Å; Q170-E174 PolarHBondContact O-N 2.85Å; E174-R176 PolarHBondContact O-N 2.85Å; E174-R176 VanDerWaalsContact O-N 3.13Å; E174-G177 PolarHBondContact O-N 2.9Å; E174-V180 HydrophobicContact CG-CG2 4.41Å; E174-R182 IonicContact OE1-NH2 3.39Å
175S98.6Very high98.6Very high86 Ų8642 Ų4260%0.60122%0.224SC*.THydrogen-bonded Turntrans-64.7-14.7173.562.40000113.9E171 Y172 A173E171-S175 WeakPolarHBondContact O-CB 3.27Å; E171-S175 PolarHBondContact O-N 2.62Å; E171-S175 VanDerWaalsContact O-N 3.17Å; E171-S175 PolarHBondContact O-OG 2.96Å; Y172-S175 PolarHBondContact O-OG 3.35Å; A173-S175 VanDerWaalsContact C-N 3.33Å; A173-S175 PolarHBondContact O-N 3.32Å
176R98.5Very high98.6Very high118 Ų11842 Ų4245%0.44522%0.224SC..THydrogen-bonded Turntrans-104.84.9175.5-69.5166.4178.864.85112.9Y172 A173 E174 Y178Y172-R176 VanDerWaalsContact CD2-NH1 3.31Å; Y172-R176 VanDerWaalsContact CZ-NE 3.32Å; Y172-R176 PolarHBondContact O-NH1 3.14Å; Y172-R176 PolarHBondContact OH-NE 2.88Å; Y172-R176 PolarHBondContact OH-NH2 2.92Å; A173-R176 PolarHBondContact O-N 2.76Å; E174-R176 PolarHBondContact O-N 2.85Å; E174-R176 VanDerWaalsContact O-N 3.13Å; R176-Y178 HydrophobicContact CB-CD2 3.75Å; R176-Y178 HydrophobicContact CB-CE2 3.97Å
177G98.3Very high98.6Very high60 Ų6042.3 Ų42.362%0.61923%0.225SC*.THydrogen-bonded Turntrans85.713176.700000115.1A173 E174A173-G177 PolarHBondContact O-N 2.99Å; E174-G177 PolarHBondContact O-N 2.9Å
178Y98.8Very high98.6Very high33 Ų3341.6 Ų41.613%0.12922%0.219CC..  trans-95.1148.4178-65.3-88.9000112.2N140 L141 V144 A173 R176 I223 N224 T225N140-Y178 WeakPolarHBondContact CB-OH 3.46Å; L141-Y178 HydrophobicContact CB-CE1 4.02Å; L141-Y178 HydrophobicContact CD1-CD1 3.52Å; L141-Y178 HydrophobicContact CD1-CE1 3.49Å; L141-Y178 VanDerWaalsContact CD1-CE1 3.49Å; L141-Y178 HydrophobicContact CG-CE1 4.37Å; L141-Y178 PolarHBondContact N-OH 3Å; V144-Y178 HydrophobicContact CB-CD2 4.37Å; V144-Y178 HydrophobicContact CB-CE2 4.18Å; V144-Y178 HydrophobicContact CG1-CD2 3.89Å; V144-Y178 HydrophobicContact CG1-CE2 4.21Å; V144-Y178 HydrophobicContact CG1-CG 4.36Å; V144-Y178 HydrophobicContact CG2-CD2 4.27Å; V144-Y178 HydrophobicContact CG2-CE2 3.78Å; A173-Y178 PolarHBondContact O-N 2.8Å; R176-Y178 HydrophobicContact CB-CD2 3.75Å; R176-Y178 HydrophobicContact CB-CE2 3.97Å; Y178-I223 VanDerWaalsContact CB-CG2 3.43Å; Y178-I223 HydrophobicContact CD1-CG2 4.01Å; Y178-I223 HydrophobicContact CG-CG2 3.9Å; Y178-N224 WeakPolarHBondContact CA-O 3.49Å; Y178-N224 WeakPolarHBondContact CB-O 3.29Å; Y178-N224 WeakPolarHBondContact CD1-O 3.41Å; Y178-T225 HydrophobicContact CD1-CG2 4.44Å; Y178-T225 HydrophobicContact CE1-CG2 4.04Å
179G98.7Very high98.4Very high7 Ų741.3 Ų41.37%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-85.3138.9172.600000112I223 N224 G226G179-I223 CarbonylContact O-C 3.53Å; G179-I223 WeakPolarHBondContact O-CA 3.21Å; G179-N224 PolarHBondContact N-O 3.38Å; G179-N224 PolarHBondContact O-N 3.45Å; G179-G226 WeakPolarHBondContact CA-O 3.31Å; G179-G226 PolarHBondContact N-O 2.84Å
180V98.9Very high97.9Very high0 Ų041.9 Ų41.90%022%0.221CC..EExtended strand (participates in β ladder)trans-106.6113.3174.4-174.70000109.6A173 E174 R182 H201 I223 W228A173-V180 HydrophobicContact CB-CG2 3.54Å; E174-V180 HydrophobicContact CG-CG2 4.41Å; V180-R182 VanDerWaalsContact O-CG 3.31Å; V180-R182 WeakPolarHBondContact O-CG 3.41Å; V180-H201 HydrophobicContact CG1-CB 3.78Å; V180-H201 WeakPolarHBondContact CG1-O 3.16Å; V180-I223 HydrophobicContact CB-CD1 4.35Å; V180-I223 HydrophobicContact CG1-CD1 4.18Å; V180-I223 HydrophobicContact CG2-CD1 3.83Å; V180-W228 WeakPolarHBondContact O-CB 3.24Å
181V98.8Very high97Very high1 Ų143.8 Ų43.81%0.00624%0.237CC..  trans-53.5140.5-179.7174.30000110.6V67 L184 M222 N224 I230V67-V181 HydrophobicContact CG1-CG1 4.43Å; V67-V181 HydrophobicContact CG1-CG2 3.98Å; V181-L184 HydrophobicContact CG1-CB 4.36Å; V181-M222 HydrophobicContact CB-CB 3.81Å; V181-M222 HydrophobicContact CG1-CB 4.48Å; V181-M222 HydrophobicContact CG2-CB 3.77Å; V181-M222 PolarHBondContact N-O 2.92Å; V181-M222 VanDerWaalsContact N-O 3.07Å; V181-N224 WeakPolarHBondContact CG2-ND2 3.27Å; V181-I230 HydrophobicContact CG1-CD1 3.96Å; V181-I230 HydrophobicContact CG1-CG2 3.96Å; V181-I230 HydrophobicContact CG2-CG2 3.84Å
182R98.5Very high96.3Very high75 Ų7540.3 Ų40.328%0.28323%0.226SC..SBendtrans-117.5-22-173.5-55.6-174.1178.8168.1-1.5114.2E174 V180 Y202 W228E174-R182 IonicContact OE1-NH2 3.39Å; V180-R182 VanDerWaalsContact O-CG 3.31Å; V180-R182 WeakPolarHBondContact O-CG 3.41Å; R182-Y202 VanDerWaalsContact CA-CE1 3.47Å; R182-Y202 HydrophobicContact CB-CD1 4.05Å; R182-Y202 HydrophobicContact CB-CE1 3.58Å; R182-Y202 HydrophobicContact CG-CD1 3.78Å; R182-Y202 HydrophobicContact CG-CE1 3.84Å; R182-Y202 HydrophobicContact CG-CG 4.14Å; R182-Y202 PolarHBondContact O-OH 2.93Å; R182-W228 HydrophobicContact CB-CD2 4.42Å; R182-W228 HydrophobicContact CB-CE3 3.59Å; R182-W228 HydrophobicContact CB-CZ3 3.73Å; R182-W228 HydrophobicContact CG-CB 4.46Å; R182-W228 HydrophobicContact CG-CD2 3.83Å; R182-W228 HydrophobicContact CG-CE3 3.48Å; R182-W228 VanDerWaalsContact CG-CE3 3.48Å; R182-W228 HydrophobicContact CG-CG 4.27Å; R182-W228 HydrophobicContact CG-CZ3 4.03Å
183D97.6Very high95.7Very high104 Ų10438.9 Ų38.956%0.55622%0.221SC*.SBendtrans-80.2-23.3-176.7-56.1-94.2000112.5W228 I230D183-W228 WeakPolarHBondContact OD2-CZ3 3.27Å; D183-I230 HydrophobicContact CB-CD1 3.79Å; D183-I230 HydrophobicContact CB-CG1 4.07Å
184L97.8Very high95.3Very high32 Ų3244.2 Ų44.217%0.16825%0.246CC..SBendtrans-124.5138.7176.3-56.5174.5000109A68 V181 M222 I230 H240A68-L184 HydrophobicContact CB-CD1 3.59Å; V181-L184 HydrophobicContact CG1-CB 4.36Å; L184-M222 HydrophobicContact CB-CE 3.44Å; L184-M222 VanDerWaalsContact CB-CE 3.44Å; L184-M222 HydrophobicContact CB-SD 3.83Å; L184-M222 HydrophobicContact CD1-SD 3.92Å; L184-M222 WeakPolarHBondContact O-CE 3.25Å; L184-I230 HydrophobicContact CD1-CD1 3.94Å; L184-I230 HydrophobicContact CG-CD1 3.97Å; L184-H240 HydrophobicContact CD1-CB 4.29Å
185V98.5Very high95Very high18 Ų1843.3 Ų43.311%0.10924%0.242CC..  trans-150.5164-170-610000110M198 P200 Y202V185-M198 HydrophobicContact CG2-CB 4.14Å; V185-M198 HydrophobicContact CG2-CE 3.26Å; V185-M198 HydrophobicContact CG2-SD 4.43Å; V185-P200 HydrophobicContact CG1-CB 4.05Å; V185-P200 HydrophobicContact CG1-CG 4.34Å; V185-Y202 HydrophobicContact CG1-CE1 4.07Å
186G98.4Very high94.8Very high0 Ų046.5 Ų46.50%025%0.247CC..EExtended strand (participates in β ladder)trans-62.7171.4171.500000113M198 V199 H201 T218 E220G186-M198 CarbonylContact O-C 3.59Å; G186-V199 PolarHBondContact N-O 2.96Å; G186-V199 VanDerWaalsContact N-O 3.1Å; G186-V199 PolarHBondContact O-N 3.06Å; G186-H201 PolarHBondContact N-CE1 2.75Å; G186-H201 VanDerWaalsContact N-CE1 3.34Å; G186-T218 WeakPolarHBondContact CA-OG1 3.44Å; G186-E220 WeakPolarHBondContact CA-OE1 3.35Å
187H98.3Very high94.7Very high5 Ų541.5 Ų41.52%0.02323%0.23CC..EExtended strand (participates in β ladder)trans-149.8170.5-175.954.588.6000112.3D124 M193 H194 P197 M198 L217 T218 E220D124-H187 IonicContact OD2-CE1 3Å; D124-H187 IonicContact OD2-NE2 3.64Å; H187-M193 PolarHBondContact CE1-O 3.24Å; H187-M193 PolarHBondContact ND1-O 3.14Å; H187-H194 AromaticContact CD2-CD2 3.57Å; H187-H194 AromaticContact CE1-CD2 3.6Å; H187-H194 AromaticContact CG-CD2 3.85Å; H187-H194 AromaticContact ND1-CD2 3.87Å; H187-H194 AromaticContact NE2-CD2 3.4Å; H187-H194 PolarHBondContact NE2-CD2 3.23Å; H187-H194 AromaticContact NE2-NE2 3.93Å; H187-P197 CarbonylContact C-O 3.4Å; H187-P197 WeakPolarHBondContact CA-O 3.4Å; H187-M198 HydrophobicContact CB-SD 4.36Å; H187-L217 CarbonylContact O-C 3.49Å; H187-L217 VanDerWaalsContact O-CA 3.29Å; H187-L217 WeakPolarHBondContact O-CA 3.39Å; H187-T218 PolarHBondContact CD2-OG1 3.42Å; H187-T218 VanDerWaalsContact CD2-OG1 3.28Å; H187-T218 PolarHBondContact N-OG1 2.71Å; H187-T218 PolarHBondContact NE2-OG1 3.38Å; H187-T218 PolarHBondContact O-N 2.89Å; H187-E220 IonicContact CD2-OE1 3.72Å; H187-E220 PolarHBondContact CD2-OE1 3.45Å; H187-E220 VanDerWaalsContact CD2-OE1 3.25Å; H187-E220 IonicContact NE2-OE1 2.76Å
188G97.8Very high94.7Very high2 Ų243.2 Ų43.22%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-73.1151.3163.900000110.4E195 P197 V216G188-E195 VanDerWaalsContact CA-O 3.32Å; G188-E195 WeakPolarHBondContact CA-O 3.35Å; G188-E195 PolarHBondContact N-O 3.12Å; G188-E195 WeakPolarHBondContact O-CA 3.24Å; G188-E195 PolarHBondContact O-N 3.04Å; G188-P197 PolarHBondContact N-O 3.15Å; G188-V216 WeakPolarHBondContact CA-O 3.48Å
189V95.8Very high94.7Very high9 Ų941.6 Ų41.66%0.05522%0.217CC..  trans-124.6134.3174-177.70000108.7M1 L122 V216 T218 Q254M1-V189 HydrophobicContact CE-CG1 4Å; L122-V189 HydrophobicContact CD1-CG1 3.38Å; L122-V189 HydrophobicContact CD2-CG1 4.47Å; L122-V189 HydrophobicContact CG-CG1 3.98Å; V189-V216 HydrophobicContact CB-CB 4.46Å; V189-V216 HydrophobicContact CB-CG1 3.98Å; V189-V216 PolarHBondContact N-O 2.98Å; V189-V216 WeakPolarHBondContact O-CB 3.32Å; V189-T218 HydrophobicContact CG2-CG2 3.6Å; V189-Q254 HydrophobicContact CG2-CG 4.32Å
190G88.1Confident94.7Very high12 Ų1242.7 Ų42.712%0.12422%0.222CC..SBendtrans-142.6-136.1-18000000111.1M1 T192 E195M1-G190 WeakPolarHBondContact CE-O 3.46Å; G190-T192 PolarHBondContact N-O 3.23Å; G190-T192 VanDerWaalsContact N-O 3.14Å; G190-T192 PolarHBondContact O-N 2.86Å; G190-E195 WeakPolarHBondContact CA-OE1 3.43Å
191P79.6Confident94.7Very high74 Ų7442.7 Ų42.748%0.48122%0.223SC..SBendtrans-59.4-23.9165.9-23.734.1000113.5E195P191-E195 WeakPolarHBondContact CD-OE1 3.49Å
192T85.3Confident94.7Very high75 Ų7546.4 Ų46.446%0.4624%0.237SC..SBendtrans-118.2161.2176.361.60000111.8G190 E195G190-T192 PolarHBondContact N-O 3.23Å; G190-T192 VanDerWaalsContact N-O 3.14Å; G190-T192 PolarHBondContact O-N 2.86Å; T192-E195 PolarHBondContact N-OE1 3.04Å; T192-E195 WeakPolarHBondContact OG1-CG 3.29Å; T192-E195 PolarHBondContact OG1-OE1 3.04Å
193M86.4Confident94.6Very high24 Ų2444.2 Ų44.212%0.11824%0.238CC..SBendtrans-62.2-60.9-174.9-179.3-172.6-53.900111.7L44 Q45 V48 V88 H187L44-M193 HydrophobicContact CB-CE 4.23Å; Q45-M193 HydrophobicContact CG-CE 4.2Å; V48-M193 HydrophobicContact CG2-CE 3.81Å; V48-M193 HydrophobicContact CG2-SD 4.45Å; V88-M193 HydrophobicContact CB-CE 3.53Å; V88-M193 HydrophobicContact CB-CG 4.47Å; V88-M193 HydrophobicContact CB-SD 4.21Å; V88-M193 HydrophobicContact CG1-CE 3.76Å; V88-M193 HydrophobicContact CG1-CG 4.07Å; V88-M193 HydrophobicContact CG1-SD 4.41Å; V88-M193 HydrophobicContact CG2-CE 3.53Å; V88-M193 HydrophobicContact CG2-CG 3.92Å; V88-M193 HydrophobicContact CG2-SD 3.54Å; V88-M193 VanDerWaalsContact CG2-SD 3.54Å; H187-M193 PolarHBondContact CE1-O 3.24Å; H187-M193 PolarHBondContact ND1-O 3.14Å
194H90.1Very high94.6Very high113 Ų11346.9 Ų46.952%0.52325%0.245SC..SBendtrans-99104.2-178.9-56.8131.4000111.3H187H187-H194 AromaticContact CD2-CD2 3.57Å; H187-H194 AromaticContact CE1-CD2 3.6Å; H187-H194 AromaticContact CG-CD2 3.85Å; H187-H194 AromaticContact ND1-CD2 3.87Å; H187-H194 AromaticContact NE2-CD2 3.4Å; H187-H194 PolarHBondContact NE2-CD2 3.23Å; H187-H194 AromaticContact NE2-NE2 3.93Å
195E92.4Very high94.7Very high61 Ų6148.6 Ų48.629%0.28526%0.263SS..EExtended strand (participates in β ladder)trans-123.2165.5173.9-65.4-171.8-16200112G188 G190 P191 T192G188-E195 VanDerWaalsContact CA-O 3.32Å; G188-E195 WeakPolarHBondContact CA-O 3.35Å; G188-E195 PolarHBondContact N-O 3.12Å; G188-E195 WeakPolarHBondContact O-CA 3.24Å; G188-E195 PolarHBondContact O-N 3.04Å; G190-E195 WeakPolarHBondContact CA-OE1 3.43Å; P191-E195 WeakPolarHBondContact CD-OE1 3.49Å; T192-E195 PolarHBondContact N-OE1 3.04Å; T192-E195 WeakPolarHBondContact OG1-CG 3.29Å; T192-E195 PolarHBondContact OG1-OE1 3.04Å
196E94.4Very high94.6Very high154 Ų15449.6 Ų49.672%0.7228%0.278SS*.EExtended strand (participates in β ladder)trans-69.7148.3170.9-71.2-73.2174.600110.9M198E196-M198 PolarHBondContact OE2-N 2.93Å
197P97Very high94.6Very high13 Ų1358 Ų588%0.08431%0.309CS..EExtended strand (participates in β ladder)cis-85.8148.94.134.4-34.6000113.1I162 H187 G188 V199 L209 L217I162-P197 HydrophobicContact CD1-CB 4.29Å; I162-P197 HydrophobicContact CD1-CG 3.89Å; I162-P197 HydrophobicContact CG1-CB 4.47Å; I162-P197 HydrophobicContact CG1-CG 4.47Å; H187-P197 CarbonylContact C-O 3.4Å; H187-P197 WeakPolarHBondContact CA-O 3.4Å; G188-P197 PolarHBondContact N-O 3.15Å; P197-V199 WeakPolarHBondContact O-CG2 3.32Å; P197-L209 HydrophobicContact CB-CD1 4.36Å; P197-L209 HydrophobicContact CB-CD2 4.45Å; P197-L209 HydrophobicContact CG-CD2 4.29Å; P197-L217 HydrophobicContact CG-CD2 3.76Å
198M97.9Very high94.5Very high95 Ų9560.1 Ų60.147%0.46833%0.332SS..EExtended strand (participates in β ladder)trans-61.2138.2157.6-59.6-59.5-79.800110.2V185 G186 H187 E196 P200V185-M198 HydrophobicContact CG2-CB 4.14Å; V185-M198 HydrophobicContact CG2-CE 3.26Å; V185-M198 HydrophobicContact CG2-SD 4.43Å; G186-M198 CarbonylContact O-C 3.59Å; H187-M198 HydrophobicContact CB-SD 4.36Å; E196-M198 PolarHBondContact OE2-N 2.93Å; M198-P200 VanDerWaalsContact C-CD 3.5Å; M198-P200 VanDerWaalsContact O-CD 3.31Å; M198-P200 WeakPolarHBondContact O-CD 3.36Å
199V98.5Very high94.5Very high0 Ų064 Ų640%035%0.352CS..EExtended strand (participates in β ladder)trans-120.678.1-175.9-166.40000110.3I162 I165 G186 P197 H201 L217 I219I162-V199 HydrophobicContact CD1-CB 4.44Å; I162-V199 HydrophobicContact CD1-CG1 4.16Å; I162-V199 HydrophobicContact CD1-CG2 3.95Å; I165-V199 HydrophobicContact CD1-CG1 3.98Å; I165-V199 HydrophobicContact CG2-CG1 4.11Å; G186-V199 PolarHBondContact N-O 2.96Å; G186-V199 VanDerWaalsContact N-O 3.1Å; G186-V199 PolarHBondContact O-N 3.06Å; P197-V199 WeakPolarHBondContact O-CG2 3.32Å; V199-H201 PolarHBondContact O-N 3.11Å; V199-L217 HydrophobicContact CG2-CD1 4.39Å; V199-L217 HydrophobicContact CG2-CD2 4.2Å; V199-I219 HydrophobicContact CG1-CG1 4.33Å
200P98.6Very high94.7Very high29 Ų2969.9 Ų69.919%0.18837%0.374CS..  trans-58.4136.5175.1-24.434.8000112.8G166 V185 M198 Y202G166-P200 WeakPolarHBondContact CA-O 3.31Å; V185-P200 HydrophobicContact CG1-CB 4.05Å; V185-P200 HydrophobicContact CG1-CG 4.34Å; M198-P200 VanDerWaalsContact C-CD 3.5Å; M198-P200 VanDerWaalsContact O-CD 3.31Å; M198-P200 WeakPolarHBondContact O-CD 3.36Å; P200-Y202 HydrophobicContact CB-CD1 3.94Å; P200-Y202 HydrophobicContact CB-CE1 3.71Å; P200-Y202 HydrophobicContact CB-CG 4.42Å; P200-Y202 WeakPolarHBondContact CB-O 3.49Å; P200-Y202 PolarHBondContact O-N 3.3Å
201H98.7Very high95.2Very high1 Ų169.3 Ų69.31%0.00537%0.368CS..SBendtrans-82.413.4172.1-47112000113.1G166 I169 Q170 V180 G186 V199 E220G166-H201 VanDerWaalsContact CA-C 3.43Å; G166-H201 CarbonylContact O-C 3.43Å; I169-H201 HydrophobicContact CB-CB 4.32Å; I169-H201 WeakPolarHBondContact CB-O 3.35Å; I169-H201 HydrophobicContact CD1-CB 3.95Å; I169-H201 HydrophobicContact CG2-CB 3.87Å; Q170-H201 PolarHBondContact N-O 2.92Å; V180-H201 HydrophobicContact CG1-CB 3.78Å; V180-H201 WeakPolarHBondContact CG1-O 3.16Å; G186-H201 PolarHBondContact N-CE1 2.75Å; G186-H201 VanDerWaalsContact N-CE1 3.34Å; V199-H201 PolarHBondContact O-N 3.11Å; H201-E220 PolarHBondContact CE1-O 2.91Å; H201-E220 PolarHBondContact NE2-N 2.76Å; H201-E220 VanDerWaalsContact NE2-N 3.19Å
202Y98.7Very high96Very high78 Ų7873.9 Ų73.931%0.30638%0.375SS..SBendtrans-136159.7175.265.1-84.2000110.5G166 R182 V185 P200G166-Y202 WeakPolarHBondContact O-CA 3.15Å; R182-Y202 VanDerWaalsContact CA-CE1 3.47Å; R182-Y202 HydrophobicContact CB-CD1 4.05Å; R182-Y202 HydrophobicContact CB-CE1 3.58Å; R182-Y202 HydrophobicContact CG-CD1 3.78Å; R182-Y202 HydrophobicContact CG-CE1 3.84Å; R182-Y202 HydrophobicContact CG-CG 4.14Å; R182-Y202 PolarHBondContact O-OH 2.93Å; V185-Y202 HydrophobicContact CG1-CE1 4.07Å; P200-Y202 HydrophobicContact CB-CD1 3.94Å; P200-Y202 HydrophobicContact CB-CE1 3.71Å; P200-Y202 HydrophobicContact CB-CG 4.42Å; P200-Y202 WeakPolarHBondContact CB-O 3.49Å; P200-Y202 PolarHBondContact O-N 3.3Å
203G96.7Very high96.7Very high30 Ų3075.8 Ų75.831%0.30938%0.379SS..  trans147.6-149.3172.800000115.4Q170Q170-G203 PolarHBondContact OE1-O 3.12Å
204K98.3Very high97.2Very high159 Ų15977 Ų7769%0.69140%0.398SS*.  trans-128.1125.2-175.3-66.4-177.4-178.8178.90110.1G163 R207G163-K204 CarbonylContact C-O 3.48Å; G163-K204 WeakPolarHBondContact CA-O 3.43Å; G163-K204 CarbonylContact O-C 3.58Å; K204-R207 HydrophobicContact CB-CB 4.37Å; K204-R207 HydrophobicContact CB-CG 3.84Å; K204-R207 VanDerWaalsContact O-CB 3.31Å; K204-R207 WeakPolarHBondContact O-CB 3.21Å; K204-R207 PolarHBondContact O-N 3.36Å
205A98.5Very high97.5Very high68 Ų6873.7 Ų73.756%0.56238%0.384SS*.THydrogen-bonded Turntrans-53.5142.3174.300000111.3G163 D164 A167 R207G163-A205 PolarHBondContact O-N 2.87Å; D164-A205 VanDerWaalsContact OD1-CA 3.3Å; D164-A205 WeakPolarHBondContact OD1-CA 3.36Å; D164-A205 WeakPolarHBondContact OD1-CB 3.46Å; A167-A205 HydrophobicContact CB-CB 4.09Å; A205-R207 VanDerWaalsContact C-N 3.26Å; A205-R207 PolarHBondContact O-N 3.35Å
206G98.1Very high97.8Very high40 Ų4071.9 Ų71.941%0.41238%0.377SS..THydrogen-bonded Turntrans738.7-177.700000115R161 D164R161-G206 WeakPolarHBondContact CD-O 3.27Å; R161-G206 PolarHBondContact NE-O 2.99Å; D164-G206 PolarHBondContact OD1-N 2.95Å
207R97.9Very high98Very high176 Ų17664.6 Ų64.666%0.66434%0.343SS*.  trans-112.2164.4177.6-56.5-61.6-177.1163.6-1.3112.3R161 G163 K204 A205R161-R207 WeakPolarHBondContact CB-O 3.18Å; G163-R207 VanDerWaalsContact CA-O 3.31Å; G163-R207 WeakPolarHBondContact CA-O 3.46Å; G163-R207 PolarHBondContact N-O 3.29Å; K204-R207 HydrophobicContact CB-CB 4.37Å; K204-R207 HydrophobicContact CB-CG 3.84Å; K204-R207 VanDerWaalsContact O-CB 3.31Å; K204-R207 WeakPolarHBondContact O-CB 3.21Å; K204-R207 PolarHBondContact O-N 3.36Å; A205-R207 VanDerWaalsContact C-N 3.26Å; A205-R207 PolarHBondContact O-N 3.35Å
208G96.7Very high98.1Very high49 Ų4964 Ų6451%0.50534%0.339SS..SBendtrans83.5-174.3179.800000114.4R161R161-G208 PolarHBondContact NH1-O 3.46Å
209L97.8Very high98.1Very high84 Ų8459.5 Ų59.544%0.4432%0.316SS..SBendtrans-60.2140.8-178.8177.6143.2000110.9R161 I162 P197 M215R161-L209 CarbonylContact C-O 3.34Å; R161-L209 WeakPolarHBondContact CA-O 3.46Å; R161-L209 WeakPolarHBondContact CB-O 3.4Å; I162-L209 HydrophobicContact CG1-CB 4.07Å; I162-L209 HydrophobicContact CG1-CD2 4.23Å; I162-L209 PolarHBondContact N-O 3.04Å; P197-L209 HydrophobicContact CB-CD1 4.36Å; P197-L209 HydrophobicContact CB-CD2 4.45Å; P197-L209 HydrophobicContact CG-CD2 4.29Å; L209-M215 HydrophobicContact CD2-CE 3.72Å; L209-M215 HydrophobicContact CD2-SD 4.23Å
210R98.5Very high98.1Very high133 Ų13360.3 Ų60.350%0.50232%0.32SS..BIsolated β-bridgetrans-81.4127.3177179.4176.9-70.5176.1-1.9109.8R161R161-R210 HydrophobicContact CG-CB 4.43Å
211L98.6Very high98.1Very high0 Ų059 Ų590%031%0.311CS..PPolyproline II helixtrans-68.6138.8176.7-57.9179.9000110.8A156 G159 N160 I162 I165 M215 L217 I257A156-L211 HydrophobicContact CB-CD1 4.32Å; G159-L211 PolarHBondContact N-O 2.88Å; N160-L211 HydrophobicContact CB-CD1 4.12Å; N160-L211 WeakPolarHBondContact O-CB 3.47Å; N160-L211 PolarHBondContact O-N 3.48Å; I162-L211 HydrophobicContact CD1-CD2 3.62Å; I162-L211 HydrophobicContact CG1-CD2 4.06Å; I165-L211 HydrophobicContact CD1-CD1 3.93Å; I165-L211 HydrophobicContact CD1-CD2 4.4Å; I165-L211 HydrophobicContact CG1-CD1 4.43Å; L211-M215 HydrophobicContact CD2-SD 4.34Å; L211-L217 HydrophobicContact CD2-CD1 4.05Å; L211-I257 HydrophobicContact CB-CD1 3.96Å; L211-I257 HydrophobicContact CD1-CD1 4.14Å; L211-I257 HydrophobicContact CD2-CD1 4.03Å; L211-I257 HydrophobicContact CG-CD1 4.27Å
212R98Very high98.2Very high169 Ų16959 Ų5964%0.63831%0.311SS*.  trans-135.1153.6-177.7-60.5-178.7-175.9175.40.6109.8M215R212-M215 HydrophobicContact CB-CE 3.91Å; R212-M215 HydrophobicContact CB-SD 4.32Å; R212-M215 HydrophobicContact CG-CE 4.08Å; R212-M215 PolarHBondContact N-SD 3.48Å; R212-M215 WeakPolarHBondContact O-CG 3.28Å; R212-M215 PolarHBondContact O-N 2.69Å
213E98.2Very high98.2Very high115 Ų11555.2 Ų55.254%0.53730%0.297SS..THydrogen-bonded Turntrans-55.3140.3171.4178.4169.2-138.700110.8V158 I257 K259V158-E213 HydrophobicContact CG2-CB 4.04Å; E213-I257 CarbonylContact C-O 3.33Å; E213-I257 WeakPolarHBondContact CA-O 3.47Å; E213-K259 WeakPolarHBondContact OE1-CB 3.19Å; E213-K259 PolarHBondContact OE1-N 3.15Å; E213-K259 VanDerWaalsContact OE1-N 3.14Å
214G96.7Very high98.3Very high51 Ų5153.8 Ų53.853%0.52628%0.282SS..THydrogen-bonded Turntrans88-6.1-179.700000115V216 I257G214-V216 PolarHBondContact O-N 3.31Å; G214-I257 PolarHBondContact N-O 3.48Å
215M97.6Very high98.3Very high43 Ų4347.9 Ų47.921%0.21226%0.259CS..  trans-67.3130.9170.4-71.7174.9174.700109.8L209 L211 R212 L217 V256 I257L209-M215 HydrophobicContact CD2-CE 3.72Å; L209-M215 HydrophobicContact CD2-SD 4.23Å; L211-M215 HydrophobicContact CD2-SD 4.34Å; R212-M215 HydrophobicContact CB-CE 3.91Å; R212-M215 HydrophobicContact CB-SD 4.32Å; R212-M215 HydrophobicContact CG-CE 4.08Å; R212-M215 PolarHBondContact N-SD 3.48Å; R212-M215 WeakPolarHBondContact O-CG 3.28Å; R212-M215 PolarHBondContact O-N 2.69Å; M215-L217 HydrophobicContact CB-CD2 4.41Å; M215-L217 HydrophobicContact CB-CG 4.33Å; M215-V256 CarbonylContact O-C 3.51Å; M215-V256 WeakPolarHBondContact O-CA 3.45Å; M215-I257 HydrophobicContact CB-CB 4.5Å; M215-I257 HydrophobicContact CB-CD1 4.19Å; M215-I257 HydrophobicContact CB-CG1 4.4Å; M215-I257 PolarHBondContact O-N 3.18Å
216V98.2Very high98.1Very high23 Ų2346 Ų4614%0.13925%0.247CC..EExtended strand (participates in β ladder)trans-106.2123.9168.2-174.50000107M1 G188 V189 G214 Q254 F255 V256 L265M1-V216 HydrophobicContact CE-CG1 4.4Å; M1-V216 HydrophobicContact CE-CG2 4.49Å; M1-V216 HydrophobicContact SD-CB 4.28Å; M1-V216 HydrophobicContact SD-CG1 3.8Å; M1-V216 HydrophobicContact SD-CG2 3.86Å; G188-V216 WeakPolarHBondContact CA-O 3.48Å; V189-V216 HydrophobicContact CB-CB 4.46Å; V189-V216 HydrophobicContact CB-CG1 3.98Å; V189-V216 PolarHBondContact N-O 2.98Å; V189-V216 WeakPolarHBondContact O-CB 3.32Å; G214-V216 PolarHBondContact O-N 3.31Å; V216-Q254 HydrophobicContact CG1-CG 3.71Å; V216-F255 VanDerWaalsContact CA-O 3.29Å; V216-F255 WeakPolarHBondContact CA-O 3.2Å; V216-F255 WeakPolarHBondContact CG1-O 3.5Å; V216-V256 HydrophobicContact CG2-CB 4.15Å; V216-V256 HydrophobicContact CG2-CG2 4.06Å; V216-L265 HydrophobicContact CG1-CD1 4.06Å
217L98.6Very high98.1Very high1 Ų145.8 Ų45.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-131.8154-174.2-56.1178.7000110.2H187 P197 V199 L211 M215 Q254 F255 I257H187-L217 CarbonylContact O-C 3.49Å; H187-L217 VanDerWaalsContact O-CA 3.29Å; H187-L217 WeakPolarHBondContact O-CA 3.39Å; P197-L217 HydrophobicContact CG-CD2 3.76Å; V199-L217 HydrophobicContact CG2-CD1 4.39Å; V199-L217 HydrophobicContact CG2-CD2 4.2Å; L211-L217 HydrophobicContact CD2-CD1 4.05Å; M215-L217 HydrophobicContact CB-CD2 4.41Å; M215-L217 HydrophobicContact CB-CG 4.33Å; L217-Q254 WeakPolarHBondContact O-CA 3.36Å; L217-F255 HydrophobicContact CB-CE1 4.33Å; L217-F255 HydrophobicContact CB-CE2 4.36Å; L217-F255 HydrophobicContact CB-CZ 3.97Å; L217-F255 HydrophobicContact CD1-CZ 4.41Å; L217-F255 PolarHBondContact N-O 3.37Å; L217-F255 PolarHBondContact O-N 3.21Å; L217-I257 HydrophobicContact CD1-CD1 3.85Å
218T98.8Very high98.2Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-94.6141.5158.567.40000109.5D124 G186 H187 V189 E220 E252 H253 Q254D124-T218 HydrophobicContact CB-CG2 4.08Å; G186-T218 WeakPolarHBondContact CA-OG1 3.44Å; H187-T218 PolarHBondContact CD2-OG1 3.42Å; H187-T218 VanDerWaalsContact CD2-OG1 3.28Å; H187-T218 PolarHBondContact N-OG1 2.71Å; H187-T218 PolarHBondContact NE2-OG1 3.38Å; H187-T218 PolarHBondContact O-N 2.89Å; V189-T218 HydrophobicContact CG2-CG2 3.6Å; T218-E220 PolarHBondContact OG1-OE1 3.39Å; T218-E252 VanDerWaalsContact CB-OE1 3.22Å; T218-E252 WeakPolarHBondContact CB-OE1 3.46Å; T218-E252 WeakPolarHBondContact CG2-OE1 3.28Å; T218-H253 WeakPolarHBondContact CA-O 3.46Å; T218-Q254 HydrophobicContact CG2-CB 4.49Å
219I98.8Very high98.3Very high0 Ų042.7 Ų42.70%021%0.214CC..EExtended strand (participates in β ladder)trans-121.1120157.6-73.8174.2000105.5L149 G152 I153 A156 I165 I169 V199 E252 H253 F255L149-I219 HydrophobicContact CD1-CB 4.12Å; L149-I219 HydrophobicContact CD1-CG2 3.79Å; L149-I219 WeakPolarHBondContact CD1-O 3.47Å; G152-I219 WeakPolarHBondContact O-CD1 3.48Å; I153-I219 HydrophobicContact CG1-CB 4.27Å; I153-I219 HydrophobicContact CG1-CD1 3.98Å; A156-I219 HydrophobicContact CB-CD1 4.28Å; I165-I219 HydrophobicContact CD1-CD1 4.23Å; I165-I219 HydrophobicContact CG2-CD1 3.64Å; I165-I219 HydrophobicContact CG2-CG1 4.16Å; I169-I219 HydrophobicContact CD1-CG2 4.07Å; V199-I219 HydrophobicContact CG1-CG1 4.33Å; I219-E252 VanDerWaalsContact O-CA 3.3Å; I219-E252 WeakPolarHBondContact O-CA 3.31Å; I219-H253 PolarHBondContact N-O 3.43Å; I219-H253 VanDerWaalsContact N-O 3.11Å; I219-H253 PolarHBondContact O-N 2.95Å; I219-F255 HydrophobicContact CB-CE1 4.01Å; I219-F255 HydrophobicContact CD1-CE1 3.62Å; I219-F255 HydrophobicContact CD1-CZ 3.58Å; I219-F255 HydrophobicContact CG1-CE1 3.63Å; I219-F255 HydrophobicContact CG1-CZ 3.93Å
220E98.8Very high98.3Very high18 Ų1839.8 Ų39.88%0.08420%0.199CC..  trans-138.557.8-169.251.2170.8128.800112.4G186 H187 H201 T218 M222 Q250 Y251 E252G186-E220 WeakPolarHBondContact CA-OE1 3.35Å; H187-E220 IonicContact CD2-OE1 3.72Å; H187-E220 PolarHBondContact CD2-OE1 3.45Å; H187-E220 VanDerWaalsContact CD2-OE1 3.25Å; H187-E220 IonicContact NE2-OE1 2.76Å; H201-E220 PolarHBondContact CE1-O 2.91Å; H201-E220 PolarHBondContact NE2-N 2.76Å; H201-E220 VanDerWaalsContact NE2-N 3.19Å; T218-E220 PolarHBondContact OG1-OE1 3.39Å; E220-M222 PolarHBondContact O-N 3.25Å; E220-M222 VanDerWaalsContact O-N 3.14Å; E220-Q250 PolarHBondContact OE2-NE2 2.86Å; E220-Q250 VanDerWaalsContact OE2-NE2 3.08Å; E220-Y251 CarbonylContact C-O 3.53Å; E220-Y251 VanDerWaalsContact CA-O 3.27Å; E220-Y251 WeakPolarHBondContact CA-O 3.32Å; E220-E252 HydrophobicContact CB-CB 3.52Å; E220-E252 HydrophobicContact CB-CG 3.62Å
221P98.9Very high98.3Very high0 Ų038.2 Ų38.20%020%0.2CC..  trans-58123.6-174.324.8-36.6000111.9T145 C148 L149 I169 I223 Q250 Y251T145-P221 HydrophobicContact CG2-CG 4.5Å; T145-P221 VanDerWaalsContact CG2-O 3.29Å; T145-P221 WeakPolarHBondContact CG2-O 3.48Å; C148-P221 HydrophobicContact CB-CB 3.99Å; C148-P221 HydrophobicContact CB-CG 3.96Å; L149-P221 HydrophobicContact CB-CG 3.93Å; I169-P221 HydrophobicContact CG2-CB 4.23Å; P221-I223 HydrophobicContact CB-CD1 4.17Å; P221-I223 HydrophobicContact CB-CG1 4.3Å; P221-Q250 WeakPolarHBondContact O-CA 3.36Å; P221-Y251 VanDerWaalsContact CD-O 3.26Å; P221-Y251 WeakPolarHBondContact CD-O 3.43Å
222M98.9Very high98.2Very high1 Ų140.2 Ų40.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-99.2111167.8-73.3158.4-82.300108.8V67 A68 V181 L184 E220 C249 Q250V67-M222 HydrophobicContact CG1-CB 4Å; V67-M222 HydrophobicContact CG1-CG 3.92Å; V67-M222 HydrophobicContact CG1-SD 3.59Å; V67-M222 VanDerWaalsContact CG1-SD 3.59Å; A68-M222 HydrophobicContact CB-SD 4Å; V181-M222 HydrophobicContact CB-CB 3.81Å; V181-M222 HydrophobicContact CG1-CB 4.48Å; V181-M222 HydrophobicContact CG2-CB 3.77Å; V181-M222 PolarHBondContact N-O 2.92Å; V181-M222 VanDerWaalsContact N-O 3.07Å; L184-M222 HydrophobicContact CB-CE 3.44Å; L184-M222 VanDerWaalsContact CB-CE 3.44Å; L184-M222 HydrophobicContact CB-SD 3.83Å; L184-M222 HydrophobicContact CD1-SD 3.92Å; L184-M222 WeakPolarHBondContact O-CE 3.25Å; E220-M222 PolarHBondContact O-N 3.25Å; E220-M222 VanDerWaalsContact O-N 3.14Å; M222-C249 WeakPolarHBondContact CA-O 3.31Å; M222-Q250 HydrophobicContact CG-CB 3.99Å; M222-Q250 HydrophobicContact CG-CG 3.8Å
223I98.9Very high97.9Very high0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-114.5132.9-175.8-51.5-61000108.8L141 V144 T145 C148 I169 A173 Y178 G179 V180 P221 S248 C249L141-I223 HydrophobicContact CD1-CB 4.35Å; L141-I223 HydrophobicContact CD1-CG2 4.03Å; V144-I223 HydrophobicContact CG1-CG2 4.45Å; T145-I223 HydrophobicContact CG2-CB 4.43Å; T145-I223 HydrophobicContact CG2-CG1 4Å; T145-I223 WeakPolarHBondContact OG1-CB 3.32Å; C148-I223 HydrophobicContact CB-CD1 4.49Å; I169-I223 HydrophobicContact CG2-CD1 4.44Å; A173-I223 HydrophobicContact CB-CD1 3.92Å; A173-I223 HydrophobicContact CB-CG2 4.42Å; Y178-I223 VanDerWaalsContact CB-CG2 3.43Å; Y178-I223 HydrophobicContact CD1-CG2 4.01Å; Y178-I223 HydrophobicContact CG-CG2 3.9Å; G179-I223 CarbonylContact O-C 3.53Å; G179-I223 WeakPolarHBondContact O-CA 3.21Å; V180-I223 HydrophobicContact CB-CD1 4.35Å; V180-I223 HydrophobicContact CG1-CD1 4.18Å; V180-I223 HydrophobicContact CG2-CD1 3.83Å; P221-I223 HydrophobicContact CB-CD1 4.17Å; P221-I223 HydrophobicContact CB-CG1 4.3Å; I223-S248 CarbonylContact O-C 3.58Å; I223-S248 WeakPolarHBondContact O-CA 3.19Å; I223-C249 PolarHBondContact N-O 2.62Å; I223-C249 PolarHBondContact O-N 3.05Å
224N98.9Very high97.7Very high0 Ų035.9 Ų35.90%020%0.203CC..EExtended strand (participates in β ladder)trans-113.3147.2-177.9-59.3-14.5000110.5Y178 G179 V181 G226 T227 T242 L247 S248Y178-N224 WeakPolarHBondContact CA-O 3.49Å; Y178-N224 WeakPolarHBondContact CB-O 3.29Å; Y178-N224 WeakPolarHBondContact CD1-O 3.41Å; G179-N224 PolarHBondContact N-O 3.38Å; G179-N224 PolarHBondContact O-N 3.45Å; V181-N224 WeakPolarHBondContact CG2-ND2 3.27Å; N224-G226 PolarHBondContact O-N 3.31Å; N224-T227 WeakPolarHBondContact CB-O 3.2Å; N224-T227 PolarHBondContact ND2-O 3.22Å; N224-T242 HydrophobicContact CB-CG2 4.11Å; N224-L247 CarbonylContact C-O 3.52Å; N224-L247 VanDerWaalsContact CA-O 3.25Å; N224-L247 WeakPolarHBondContact CA-O 3.42Å; N224-S248 WeakPolarHBondContact OD1-CB 3.34Å; N224-S248 PolarHBondContact OD1-OG 3.34Å
225T98.8Very high97.5Very high34 Ų3442.1 Ų42.121%0.20922%0.216CC..SBendtrans-68.2-19.9173.155.20000113.5E137 L141 Y178 L247E137-T225 HydrophobicContact CG-CG2 4.16Å; L141-T225 HydrophobicContact CB-CG2 4.43Å; L141-T225 HydrophobicContact CD1-CG2 4.18Å; L141-T225 HydrophobicContact CD2-CG2 4.03Å; L141-T225 HydrophobicContact CG-CG2 4.44Å; Y178-T225 HydrophobicContact CD1-CG2 4.44Å; Y178-T225 HydrophobicContact CE1-CG2 4.04Å; T225-L247 HydrophobicContact CG2-CB 3.93Å; T225-L247 PolarHBondContact N-O 3.22Å; T225-L247 PolarHBondContact OG1-N 2.95Å
226G95.6Very high97.3Very high29 Ų2941.3 Ų41.330%0.29921%0.213SC..SBendtrans-121.3-129.5-177.900000113.4G179 N224 D244G179-G226 WeakPolarHBondContact CA-O 3.31Å; G179-G226 PolarHBondContact N-O 2.84Å; N224-G226 PolarHBondContact O-N 3.31Å; G226-D244 VanDerWaalsContact CA-OD2 3.31Å; G226-D244 WeakPolarHBondContact CA-OD2 3.48Å
227T97.9Very high97.2Very high35 Ų3540.7 Ų40.722%0.21521%0.211CC..  trans-63.3153178.7-170.30000111.8N224 E229 L243 D244N224-T227 WeakPolarHBondContact CB-O 3.2Å; N224-T227 PolarHBondContact ND2-O 3.22Å; T227-E229 HydrophobicContact CG2-CB 3.9Å; T227-E229 PolarHBondContact OG1-N 3.47Å; T227-E229 PolarHBondContact OG1-OE2 3.3Å; T227-E229 VanDerWaalsContact OG1-OE2 3.07Å; T227-L243 HydrophobicContact CG2-CB 4.07Å; T227-D244 HydrophobicContact CG2-CB 4.12Å; T227-D244 PolarHBondContact N-OD2 3.41Å
228W98.5Very high97.2Very high78 Ų7841.7 Ų41.730%0.29522%0.215SC..SBendtrans-73.9-17.6170.661-90.4000112.5V180 R182 D183V180-W228 WeakPolarHBondContact O-CB 3.24Å; R182-W228 HydrophobicContact CB-CD2 4.42Å; R182-W228 HydrophobicContact CB-CE3 3.59Å; R182-W228 HydrophobicContact CB-CZ3 3.73Å; R182-W228 HydrophobicContact CG-CB 4.46Å; R182-W228 HydrophobicContact CG-CD2 3.83Å; R182-W228 HydrophobicContact CG-CE3 3.48Å; R182-W228 VanDerWaalsContact CG-CE3 3.48Å; R182-W228 HydrophobicContact CG-CG 4.27Å; R182-W228 HydrophobicContact CG-CZ3 4.03Å; D183-W228 WeakPolarHBondContact OD2-CZ3 3.27Å
229E98.7Very high97.2Very high83 Ų8342.2 Ų42.239%0.38822%0.219SC..  trans-69.8142.5-175.4-64.4169.711400111.4T227 L243T227-E229 HydrophobicContact CG2-CB 3.9Å; T227-E229 PolarHBondContact OG1-N 3.47Å; T227-E229 PolarHBondContact OG1-OE2 3.3Å; T227-E229 VanDerWaalsContact OG1-OE2 3.07Å; E229-L243 HydrophobicContact CB-CB 3.92Å; E229-L243 HydrophobicContact CB-CD2 3.71Å; E229-L243 HydrophobicContact CB-CG 4.47Å; E229-L243 HydrophobicContact CG-CD2 4.45Å; E229-L243 WeakPolarHBondContact O-CB 3.28Å; E229-L243 PolarHBondContact O-N 3.03Å
230I98.5Very high97.2Very high23 Ų2343.3 Ų43.312%0.11822%0.224CC..EExtended strand (participates in β ladder)trans-126.8156.117970-179.4000110.1V67 V181 D183 L184 H240 K241V67-I230 HydrophobicContact CB-CG2 4.38Å; V67-I230 HydrophobicContact CG1-CG2 4.27Å; V67-I230 HydrophobicContact CG2-CG2 3.73Å; V181-I230 HydrophobicContact CG1-CD1 3.96Å; V181-I230 HydrophobicContact CG1-CG2 3.96Å; V181-I230 HydrophobicContact CG2-CG2 3.84Å; D183-I230 HydrophobicContact CB-CD1 3.79Å; D183-I230 HydrophobicContact CB-CG1 4.07Å; L184-I230 HydrophobicContact CD1-CD1 3.94Å; L184-I230 HydrophobicContact CG-CD1 3.97Å; I230-H240 HydrophobicContact CD1-CB 3.98Å; I230-K241 CarbonylContact C-O 3.56Å; I230-K241 WeakPolarHBondContact CA-O 3.32Å; I230-K241 VanDerWaalsContact CB-O 3.29Å; I230-K241 WeakPolarHBondContact CB-O 3.37Å
231D97.9Very high97.2Very high99 Ų9945.8 Ų45.853%0.52924%0.235SC..EExtended strand (participates in β ladder)trans-117.7155.9169.7-16512.3000110.1H240 K241 L243D231-H240 CarbonylContact O-C 3.55Å; D231-H240 VanDerWaalsContact O-CA 3.28Å; D231-H240 WeakPolarHBondContact O-CA 3.34Å; D231-K241 PolarHBondContact N-O 2.82Å; D231-K241 PolarHBondContact O-N 3.1Å; D231-L243 HydrophobicContact CB-CD1 4.24Å
232T97.2Very high97.2Very high42 Ų4246.1 Ų46.126%0.25824%0.237SC..EExtended strand (participates in β ladder)trans-111.1133.1-177.7-52.20000110.5M234 H240T232-M234 PolarHBondContact O-N 2.87Å; T232-H240 PolarHBondContact OG1-CE1 2.8Å; T232-H240 PolarHBondContact OG1-ND1 2.66Å
233D92.3Very high97.1Very high56 Ų5650.4 Ų50.430%0.29926%0.259SS..  trans-65.5100.4172.1174.323.6000110.7K235 T236 G237 A239D233-K235 PolarHBondContact O-N 2.82Å; D233-K235 VanDerWaalsContact O-N 3.11Å; D233-K235 VanDerWaalsContact OD1-CB 3.28Å; D233-K235 WeakPolarHBondContact OD1-CB 3.39Å; D233-K235 WeakPolarHBondContact OD1-CG 3.5Å; D233-K235 PolarHBondContact OD1-N 3.42Å; D233-T236 PolarHBondContact O-N 3.35Å; D233-T236 PolarHBondContact OD2-OG1 2.91Å; D233-G237 VanDerWaalsContact O-CA 3.32Å; D233-G237 WeakPolarHBondContact O-CA 3.4Å; D233-G237 PolarHBondContact O-N 3.21Å; D233-A239 HydrophobicContact CB-CB 4.08Å; D233-A239 PolarHBondContact N-O 3.08Å
234M93Very high97.1Very high137 Ų13754.5 Ų54.568%0.67528%0.281SS*.THydrogen-bonded Turntrans-71.5-0.7-179.9-61.3-55.5-62.200114.4I52 T232I52-M234 WeakPolarHBondContact CD1-O 3.23Å; T232-M234 PolarHBondContact O-N 2.87Å
235K93Very high97Very high183 Ų18356.8 Ų56.880%0.79631%0.305SS*.THydrogen-bonded Turntrans-74.9-39.9170.6-65.9177.6-178.7172.30111.8D233D233-K235 PolarHBondContact O-N 2.82Å; D233-K235 VanDerWaalsContact O-N 3.11Å; D233-K235 VanDerWaalsContact OD1-CB 3.28Å; D233-K235 WeakPolarHBondContact OD1-CB 3.39Å; D233-K235 WeakPolarHBondContact OD1-CG 3.5Å; D233-K235 PolarHBondContact OD1-N 3.42Å
236T94.1Very high97Very high26 Ų2655.8 Ų55.816%0.1630%0.301CS..THydrogen-bonded Turntrans-112.2-24.7-176.460.30000112.2F71 D233 W238F71-T236 HydrophobicContact CD2-CG2 4.46Å; F71-T236 HydrophobicContact CE2-CG2 3.68Å; F71-T236 HydrophobicContact CZ-CG2 4.21Å; D233-T236 PolarHBondContact O-N 3.35Å; D233-T236 PolarHBondContact OD2-OG1 2.91Å; T236-W238 VanDerWaalsContact C-N 3.27Å; T236-W238 VanDerWaalsContact O-CD1 3.24Å; T236-W238 PolarHBondContact OG1-N 2.85Å
237G96.3Very high97.2Very high10 Ų1055.9 Ų55.910%0.10330%0.295CS..SBendtrans7810.2-175.600000113.7D233D233-G237 VanDerWaalsContact O-CA 3.32Å; D233-G237 WeakPolarHBondContact O-CA 3.4Å; D233-G237 PolarHBondContact O-N 3.21Å
238W97.8Very high97.2Very high22 Ų2254.2 Ų54.28%0.08329%0.285CS..  trans-113.7-64.2-170.4-76.3108.2000113.6V48 D49 M53 Y55 H69 F71 T236 H240V48-W238 HydrophobicContact CB-CH2 4.38Å; V48-W238 HydrophobicContact CG1-CH2 3.98Å; V48-W238 WeakPolarHBondContact O-CZ2 3.39Å; D49-W238 WeakPolarHBondContact O-CH2 3.48Å; M53-W238 PolarHBondContact O-NE1 2.75Å; Y55-W238 AromaticContact CD2-CD2 3.56Å; Y55-W238 HydrophobicContact CD2-CD2 3.56Å; Y55-W238 AromaticContact CD2-CE2 3.85Å; Y55-W238 AromaticContact CD2-CE3 3.72Å; Y55-W238 HydrophobicContact CD2-CE3 3.72Å; Y55-W238 AromaticContact CD2-CG 3.94Å; Y55-W238 HydrophobicContact CD2-CG 3.94Å; Y55-W238 HydrophobicContact CD2-CH2 4.41Å; Y55-W238 HydrophobicContact CD2-CZ2 4.27Å; Y55-W238 HydrophobicContact CD2-CZ3 4.14Å; Y55-W238 HydrophobicContact CE2-CD2 4.37Å; Y55-W238 HydrophobicContact CE2-CE3 4.43Å; Y55-W238 HydrophobicContact CE2-CG 4.45Å; Y55-W238 HydrophobicContact CG-CD2 4.48Å; Y55-W238 HydrophobicContact CG-CZ2 4.45Å; H69-W238 HydrophobicContact CB-CB 4.45Å; H69-W238 HydrophobicContact CB-CE3 4.14Å; H69-W238 VanDerWaalsContact CB-O 3.27Å; H69-W238 WeakPolarHBondContact CB-O 3.18Å; F71-W238 HydrophobicContact CD1-CB 4.43Å; F71-W238 HydrophobicContact CE1-CB 3.52Å; F71-W238 AromaticContact CE1-CD1 3.73Å; F71-W238 AromaticContact CE1-CG 3.66Å; F71-W238 HydrophobicContact CE1-CG 3.66Å; F71-W238 HydrophobicContact CZ-CB 3.92Å; F71-W238 AromaticContact CZ-CD1 3.52Å; F71-W238 AromaticContact CZ-CG 3.9Å; F71-W238 HydrophobicContact CZ-CG 3.9Å; T236-W238 VanDerWaalsContact C-N 3.27Å; T236-W238 VanDerWaalsContact O-CD1 3.24Å; T236-W238 PolarHBondContact OG1-N 2.85Å; W238-H240 PolarHBondContact O-CD2 3.34Å; W238-H240 PolarHBondContact O-N 2.93Å; W238-H240 PolarHBondContact O-NE2 3.17Å
239A98.1Very high97.3Very high10 Ų1050.5 Ų50.58%0.08327%0.271CS..  trans-63125.5-170.900000111.7A70 D233A70-A239 HydrophobicContact CB-CB 4.04Å; D233-A239 HydrophobicContact CB-CB 4.08Å; D233-A239 PolarHBondContact N-O 3.08Å
240H98.6Very high97.3Very high23 Ų2346.9 Ų46.911%0.10625%0.254CS..EExtended strand (participates in β ladder)trans-102.7138.5171.5-57.7-76.5000110.3E66 V67 A68 H69 L184 I230 D231 T232 W238E66-H240 CarbonylContact C-O 3.59Å; E66-H240 WeakPolarHBondContact CA-O 3.34Å; V67-H240 HydrophobicContact CB-CB 4.28Å; V67-H240 PolarHBondContact N-O 2.83Å; A68-H240 PolarHBondContact O-N 3.43Å; H69-H240 AromaticContact CE1-NE2 3.95Å; H69-H240 AromaticContact ND1-CD2 3.3Å; H69-H240 PolarHBondContact ND1-CD2 3Å; H69-H240 VanDerWaalsContact ND1-CD2 3.3Å; H69-H240 AromaticContact ND1-NE2 3.26Å; H69-H240 PolarHBondContact ND1-NE2 2.91Å; L184-H240 HydrophobicContact CD1-CB 4.29Å; I230-H240 HydrophobicContact CD1-CB 3.98Å; D231-H240 CarbonylContact O-C 3.55Å; D231-H240 VanDerWaalsContact O-CA 3.28Å; D231-H240 WeakPolarHBondContact O-CA 3.34Å; T232-H240 PolarHBondContact OG1-CE1 2.8Å; T232-H240 PolarHBondContact OG1-ND1 2.66Å; W238-H240 PolarHBondContact O-CD2 3.34Å; W238-H240 PolarHBondContact O-N 2.93Å; W238-H240 PolarHBondContact O-NE2 3.17Å
241K98.6Very high97.3Very high70 Ų7046 Ų4630%0.30425%0.249SC..EExtended strand (participates in β ladder)trans-129.7155179.2-65.3178.9174.5-98.40110.4D65 E66 I230 D231D65-K241 WeakPolarHBondContact O-CA 3.32Å; D65-K241 IonicContact OD1-NZ 3.82Å; D65-K241 PolarHBondContact OD1-NZ 2.54Å; D65-K241 IonicContact OD2-NZ 3.35Å; E66-K241 HydrophobicContact CG-CD 4.32Å; E66-K241 HydrophobicContact CG-CG 3.88Å; E66-K241 IonicContact OE1-NZ 3.24Å; E66-K241 PolarHBondContact OE1-NZ 3.41Å; I230-K241 CarbonylContact C-O 3.56Å; I230-K241 WeakPolarHBondContact CA-O 3.32Å; I230-K241 VanDerWaalsContact CB-O 3.29Å; I230-K241 WeakPolarHBondContact CB-O 3.37Å; D231-K241 PolarHBondContact N-O 2.82Å; D231-K241 PolarHBondContact O-N 3.1Å
242T98.8Very high97.3Very high7 Ų741.3 Ų41.34%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-58.8139.517159.60000110.4D65 V67 N224 D244 G245 G246D65-T242 PolarHBondContact O-N 2.86Å; V67-T242 HydrophobicContact CG2-CG2 3.78Å; N224-T242 HydrophobicContact CB-CG2 4.11Å; T242-D244 PolarHBondContact O-N 3.32Å; T242-G245 PolarHBondContact O-N 3.4Å; T242-G245 WeakPolarHBondContact OG1-CA 3.11Å; T242-G245 PolarHBondContact OG1-N 2.84Å; T242-G246 WeakPolarHBondContact CB-O 3.41Å; T242-G246 WeakPolarHBondContact CG2-O 3.42Å; T242-G246 PolarHBondContact OG1-N 2.91Å; T242-G246 VanDerWaalsContact OG1-N 3.12Å; T242-G246 PolarHBondContact OG1-O 3.33Å
243L98.3Very high97.4Very high91 Ų9139.3 Ų39.348%0.47621%0.211SC..THydrogen-bonded Turntrans-67.4-28.3-177.5-177.664.1000112.4T227 E229 D231T227-L243 HydrophobicContact CG2-CB 4.07Å; E229-L243 HydrophobicContact CB-CB 3.92Å; E229-L243 HydrophobicContact CB-CD2 3.71Å; E229-L243 HydrophobicContact CB-CG 4.47Å; E229-L243 HydrophobicContact CG-CD2 4.45Å; E229-L243 WeakPolarHBondContact O-CB 3.28Å; E229-L243 PolarHBondContact O-N 3.03Å; D231-L243 HydrophobicContact CB-CD1 4.24Å
244D98.2Very high97.7Very high86 Ų8636.6 Ų36.646%0.4620%0.197SC..THydrogen-bonded Turntrans-100.21.7-177.363.22.5000114.3G226 T227 T242 G246G226-D244 VanDerWaalsContact CA-OD2 3.31Å; G226-D244 WeakPolarHBondContact CA-OD2 3.48Å; T227-D244 HydrophobicContact CG2-CB 4.12Å; T227-D244 PolarHBondContact N-OD2 3.41Å; T242-D244 PolarHBondContact O-N 3.32Å; D244-G246 PolarHBondContact O-N 2.97Å; D244-G246 PolarHBondContact OD1-N 3.21Å
245G97.8Very high97.9Very high49 Ų4930.1 Ų30.151%0.50517%0.165SC..  trans72.611.6-17600000114.1T242T242-G245 PolarHBondContact O-N 3.4Å; T242-G245 WeakPolarHBondContact OG1-CA 3.11Å; T242-G245 PolarHBondContact OG1-N 2.84Å
246G98.5Very high98.2Very high13 Ų1323 Ų2313%0.13414%0.137CC..  trans-63.6159.7169.900000112.1D65 T242 D244D65-G246 WeakPolarHBondContact CA-O 3.41Å; D65-G246 WeakPolarHBondContact CB-O 3.23Å; T242-G246 WeakPolarHBondContact CB-O 3.41Å; T242-G246 WeakPolarHBondContact CG2-O 3.42Å; T242-G246 PolarHBondContact OG1-N 2.91Å; T242-G246 VanDerWaalsContact OG1-N 3.12Å; T242-G246 PolarHBondContact OG1-O 3.33Å; D244-G246 PolarHBondContact O-N 2.97Å; D244-G246 PolarHBondContact OD1-N 3.21Å
247L98.8Very high98.4Very high31 Ų3121.7 Ų21.716%0.16213%0.129CC..  trans-69.5147.1176.2-63.2171000110.1N64 E137 V138 L141 N224 T225N64-L247 HydrophobicContact CB-CD2 3.87Å; E137-L247 HydrophobicContact CG-CD1 4.28Å; V138-L247 HydrophobicContact CG2-CD1 3.65Å; L141-L247 HydrophobicContact CD2-CB 3.67Å; N224-L247 CarbonylContact C-O 3.52Å; N224-L247 VanDerWaalsContact CA-O 3.25Å; N224-L247 WeakPolarHBondContact CA-O 3.42Å; T225-L247 HydrophobicContact CG2-CB 3.93Å; T225-L247 PolarHBondContact N-O 3.22Å; T225-L247 PolarHBondContact OG1-N 2.95Å
248S98.9Very high98.5Very high0 Ų022.8 Ų22.80%013%0.134CC..EExtended strand (participates in β ladder)trans-129135.8174.6-176.50000110.8N64 K84 I223 N224N64-S248 PolarHBondContact O-N 2.91Å; K84-S248 WeakPolarHBondContact CD-O 3.46Å; K84-S248 PolarHBondContact NZ-O 3.11Å; K84-S248 PolarHBondContact NZ-OG 2.93Å; I223-S248 CarbonylContact O-C 3.58Å; I223-S248 WeakPolarHBondContact O-CA 3.19Å; N224-S248 WeakPolarHBondContact OD1-CB 3.34Å; N224-S248 PolarHBondContact OD1-OG 3.34Å
249C98.9Very high98.5Very high0 Ų028.8 Ų28.80%016%0.16CC..EExtended strand (participates in β ladder)trans-124.4144175.2-172.30000110.5L82 A128 L141 T145 M222 I223L82-C249 HydrophobicContact CD2-CB 3.98Å; A128-C249 WeakPolarHBondContact CB-SG 3.24Å; L141-C249 HydrophobicContact CD1-CB 4.32Å; L141-C249 HydrophobicContact CD2-CB 3.77Å; L141-C249 HydrophobicContact CG-CB 3.65Å; T145-C249 HydrophobicContact CG2-CB 4.19Å; T145-C249 VanDerWaalsContact CG2-O 3.29Å; T145-C249 WeakPolarHBondContact CG2-O 3.44Å; T145-C249 WeakPolarHBondContact OG1-CB 3.46Å; M222-C249 WeakPolarHBondContact CA-O 3.31Å; I223-C249 PolarHBondContact N-O 2.62Å; I223-C249 PolarHBondContact O-N 3.05Å
250Q98.9Very high98.5Very high7 Ų735 Ų353%0.03319%0.192CC..EExtended strand (participates in β ladder)trans-131.5141.7175.3-173.1-17619.100109K84 C126 E220 P221 M222K84-Q250 HydrophobicContact CG-CB 4.5Å; C126-Q250 HydrophobicContact CB-CG 4.22Å; C126-Q250 VanDerWaalsContact SG-CD 3.59Å; C126-Q250 PolarHBondContact SG-OE1 3.27Å; E220-Q250 PolarHBondContact OE2-NE2 2.86Å; E220-Q250 VanDerWaalsContact OE2-NE2 3.08Å; P221-Q250 WeakPolarHBondContact O-CA 3.36Å; M222-Q250 HydrophobicContact CG-CB 3.99Å; M222-Q250 HydrophobicContact CG-CG 3.8Å
251Y98.9Very high98.4Very high3 Ų334.6 Ų34.61%0.01220%0.195CC..  trans-135.2147161.9-73.6-82.3000107.5C126 W127 A128 M142 T145 K146 E220 P221C126-Y251 CarbonylContact O-C 3.59Å; C126-Y251 VanDerWaalsContact O-CA 3.31Å; C126-Y251 WeakPolarHBondContact O-CA 3.41Å; W127-Y251 AromaticContact CD1-CE1 3.94Å; W127-Y251 AromaticContact CD2-CD1 3.49Å; W127-Y251 HydrophobicContact CD2-CD1 3.49Å; W127-Y251 VanDerWaalsContact CD2-CD1 3.49Å; W127-Y251 AromaticContact CD2-CE1 3.98Å; W127-Y251 HydrophobicContact CD2-CE1 3.98Å; W127-Y251 AromaticContact CE2-CD1 3.47Å; W127-Y251 VanDerWaalsContact CE2-CD1 3.47Å; W127-Y251 AromaticContact CE2-CE1 3.72Å; W127-Y251 AromaticContact CE3-CD1 3.78Å; W127-Y251 HydrophobicContact CE3-CD1 3.78Å; W127-Y251 AromaticContact CG-CD1 3.94Å; W127-Y251 HydrophobicContact CG-CD1 3.94Å; W127-Y251 HydrophobicContact CG-CE1 4.06Å; W127-Y251 AromaticContact CH2-CD1 3.9Å; W127-Y251 HydrophobicContact CH2-CD1 3.9Å; W127-Y251 HydrophobicContact CH2-CG 4.46Å; W127-Y251 AromaticContact CZ2-CD1 3.68Å; W127-Y251 HydrophobicContact CZ2-CD1 3.68Å; W127-Y251 HydrophobicContact CZ2-CE1 4.12Å; W127-Y251 AromaticContact CZ3-CD1 3.95Å; W127-Y251 HydrophobicContact CZ3-CD1 3.95Å; W127-Y251 HydrophobicContact CZ3-CG 4.48Å; W127-Y251 AromaticContact NE1-CE1 3.76Å; A128-Y251 HydrophobicContact CB-CD1 4.47Å; A128-Y251 HydrophobicContact CB-CE1 3.91Å; A128-Y251 HydrophobicContact CB-CE2 3.96Å; M142-Y251 HydrophobicContact CB-CE2 4.45Å; M142-Y251 VanDerWaalsContact CE-OH 3.28Å; M142-Y251 WeakPolarHBondContact CE-OH 3.35Å; M142-Y251 WeakPolarHBondContact O-CE2 3.21Å; T145-Y251 HydrophobicContact CG2-CD2 3.71Å; T145-Y251 HydrophobicContact CG2-CE2 4.5Å; K146-Y251 HydrophobicContact CB-CD2 3.82Å; K146-Y251 HydrophobicContact CB-CE2 3.75Å; K146-Y251 HydrophobicContact CB-CG 4.42Å; K146-Y251 VanDerWaalsContact CE-OH 3.32Å; K146-Y251 WeakPolarHBondContact CE-OH 3.07Å; K146-Y251 HydrophobicContact CG-CD2 4.48Å; K146-Y251 HydrophobicContact CG-CE2 4.49Å; E220-Y251 CarbonylContact C-O 3.53Å; E220-Y251 VanDerWaalsContact CA-O 3.27Å; E220-Y251 WeakPolarHBondContact CA-O 3.32Å; P221-Y251 VanDerWaalsContact CD-O 3.26Å; P221-Y251 WeakPolarHBondContact CD-O 3.43Å
252E98.8Very high98.4Very high1 Ų133.1 Ų33.11%0.00519%0.192CC..  trans-146.2134.5-177.5169.2-179.7-162.100113S125 C126 W127 T218 I219 E220S125-E252 PolarHBondContact OG-O 2.89Å; C126-E252 HydrophobicContact CB-CB 3.94Å; C126-E252 PolarHBondContact N-OE2 2.81Å; C126-E252 PolarHBondContact O-N 3.28Å; W127-E252 VanDerWaalsContact CZ3-O 3.27Å; W127-E252 WeakPolarHBondContact CZ3-O 3.41Å; T218-E252 VanDerWaalsContact CB-OE1 3.22Å; T218-E252 WeakPolarHBondContact CB-OE1 3.46Å; T218-E252 WeakPolarHBondContact CG2-OE1 3.28Å; I219-E252 VanDerWaalsContact O-CA 3.3Å; I219-E252 WeakPolarHBondContact O-CA 3.31Å; E220-E252 HydrophobicContact CB-CB 3.52Å; E220-E252 HydrophobicContact CB-CG 3.62Å
253H98.7Very high98.3Very high0 Ų036.3 Ų36.30%021%0.211CC..EExtended strand (participates in β ladder)trans-122.6139.4163.4-82.1-50.1000111.2W127 L149 I153 T218 I219 I264 T266 E271 Y274W127-H253 AromaticContact CH2-CD2 3.66Å; W127-H253 AromaticContact CH2-CE1 3.7Å; W127-H253 AromaticContact CH2-NE2 3.17Å; W127-H253 WeakPolarHBondContact CH2-NE2 3.32Å; W127-H253 AromaticContact CZ2-NE2 3.98Å; W127-H253 AromaticContact CZ3-CD2 3.88Å; W127-H253 AromaticContact CZ3-CE1 3.69Å; W127-H253 AromaticContact CZ3-NE2 3.57Å; L149-H253 HydrophobicContact CD1-CB 4.33Å; I153-H253 HydrophobicContact CD1-CB 3.99Å; T218-H253 WeakPolarHBondContact CA-O 3.46Å; I219-H253 PolarHBondContact N-O 3.43Å; I219-H253 VanDerWaalsContact N-O 3.11Å; I219-H253 PolarHBondContact O-N 2.95Å; H253-I264 HydrophobicContact CB-CG2 3.92Å; H253-T266 WeakPolarHBondContact CA-OG1 3.35Å; H253-T266 PolarHBondContact CE1-O 3.01Å; H253-T266 PolarHBondContact ND1-O 2.61Å; H253-T266 PolarHBondContact ND1-OG1 3.13Å; H253-E271 IonicContact NE2-OE2 2.87Å; H253-Y274 PolarHBondContact CE1-OH 3.11Å; H253-Y274 AromaticContact NE2-CZ 3.83Å; H253-Y274 PolarHBondContact NE2-OH 3.2Å
254Q98.4Very high98.3Very high0 Ų033.4 Ų33.40%020%0.196CC..EExtended strand (participates in β ladder)trans-85.5134.6157.4-177.9-174.6-43.700109.6L122 A123 D124 V189 V216 L217 T218 L265 T266L122-Q254 PolarHBondContact O-NE2 3.32Å; L122-Q254 VanDerWaalsContact O-NE2 3.14Å; A123-Q254 VanDerWaalsContact CA-OE1 3.25Å; D124-Q254 WeakPolarHBondContact O-CB 3.27Å; V189-Q254 HydrophobicContact CG2-CG 4.32Å; V216-Q254 HydrophobicContact CG1-CG 3.71Å; L217-Q254 WeakPolarHBondContact O-CA 3.36Å; T218-Q254 HydrophobicContact CG2-CB 4.49Å; Q254-L265 HydrophobicContact CG-CD1 4.33Å; Q254-L265 WeakPolarHBondContact O-CB 3.3Å; Q254-L265 PolarHBondContact O-N 3.08Å; Q254-T266 HydrophobicContact CB-CG2 4.25Å; Q254-T266 PolarHBondContact N-OG1 2.99Å; Q254-T266 PolarHBondContact O-N 3.32Å
255F98.5Very high98.3Very high0 Ų030.1 Ų30.10%018%0.178CC..EExtended strand (participates in β ladder)trans-145.7160.1178.262.8-86.9000111.5I153 A156 V216 L217 I219 I257 P262 V263 I264I153-F255 HydrophobicContact CD1-CD1 4.37Å; I153-F255 HydrophobicContact CG1-CD1 3.94Å; I153-F255 HydrophobicContact CG1-CE1 3.8Å; I153-F255 HydrophobicContact CG1-CZ 4.45Å; A156-F255 HydrophobicContact CB-CE2 3.4Å; A156-F255 VanDerWaalsContact CB-CE2 3.4Å; A156-F255 HydrophobicContact CB-CZ 3.46Å; A156-F255 VanDerWaalsContact CB-CZ 3.46Å; V216-F255 VanDerWaalsContact CA-O 3.29Å; V216-F255 WeakPolarHBondContact CA-O 3.2Å; V216-F255 WeakPolarHBondContact CG1-O 3.5Å; L217-F255 HydrophobicContact CB-CE1 4.33Å; L217-F255 HydrophobicContact CB-CE2 4.36Å; L217-F255 HydrophobicContact CB-CZ 3.97Å; L217-F255 HydrophobicContact CD1-CZ 4.41Å; L217-F255 PolarHBondContact N-O 3.37Å; L217-F255 PolarHBondContact O-N 3.21Å; I219-F255 HydrophobicContact CB-CE1 4.01Å; I219-F255 HydrophobicContact CD1-CE1 3.62Å; I219-F255 HydrophobicContact CD1-CZ 3.58Å; I219-F255 HydrophobicContact CG1-CE1 3.63Å; I219-F255 HydrophobicContact CG1-CZ 3.93Å; F255-I257 HydrophobicContact CD2-CG1 4.31Å; F255-I257 HydrophobicContact CE2-CD1 4.46Å; F255-I257 HydrophobicContact CE2-CG1 3.86Å; F255-P262 HydrophobicContact CD2-CB 3.62Å; F255-P262 HydrophobicContact CE2-CB 4.08Å; F255-P262 HydrophobicContact CG-CB 4.33Å; F255-V263 CarbonylContact C-O 3.58Å; F255-V263 VanDerWaalsContact CA-O 3.27Å; F255-V263 WeakPolarHBondContact CA-O 3.33Å; F255-V263 VanDerWaalsContact CB-O 3.24Å; F255-V263 WeakPolarHBondContact CB-O 3.38Å; F255-I264 HydrophobicContact CB-CG1 4.28Å
256V98.3Very high98.4Very high33 Ų3327.8 Ų27.820%0.215%0.154CC..EExtended strand (participates in β ladder)trans-105.4133.4171.162.10000110.4M215 V216 T258 P262 V263 L265M215-V256 CarbonylContact O-C 3.51Å; M215-V256 WeakPolarHBondContact O-CA 3.45Å; V216-V256 HydrophobicContact CG2-CB 4.15Å; V216-V256 HydrophobicContact CG2-CG2 4.06Å; V256-T258 HydrophobicContact CG1-CG2 4.2Å; V256-T258 PolarHBondContact O-N 3.04Å; V256-P262 WeakPolarHBondContact O-CA 3.44Å; V256-V263 HydrophobicContact CG1-CB 3.92Å; V256-V263 PolarHBondContact N-O 3.27Å; V256-V263 PolarHBondContact O-N 2.95Å; V256-L265 HydrophobicContact CB-CD1 4.39Å; V256-L265 HydrophobicContact CG1-CD2 4.05Å; V256-L265 HydrophobicContact CG1-CG 4.48Å
257I98.6Very high98.4Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-78.1118.9172.6-58.8-174.9000108.6A156 V158 L211 E213 G214 M215 L217 F255A156-I257 HydrophobicContact CB-CD1 4.27Å; A156-I257 WeakPolarHBondContact O-CG1 3.28Å; V158-I257 HydrophobicContact CG2-CG2 3.77Å; L211-I257 HydrophobicContact CB-CD1 3.96Å; L211-I257 HydrophobicContact CD1-CD1 4.14Å; L211-I257 HydrophobicContact CD2-CD1 4.03Å; L211-I257 HydrophobicContact CG-CD1 4.27Å; E213-I257 CarbonylContact C-O 3.33Å; E213-I257 WeakPolarHBondContact CA-O 3.47Å; G214-I257 PolarHBondContact N-O 3.48Å; M215-I257 HydrophobicContact CB-CB 4.5Å; M215-I257 HydrophobicContact CB-CD1 4.19Å; M215-I257 HydrophobicContact CB-CG1 4.4Å; M215-I257 PolarHBondContact O-N 3.18Å; L217-I257 HydrophobicContact CD1-CD1 3.85Å; F255-I257 HydrophobicContact CD2-CG1 4.31Å; F255-I257 HydrophobicContact CE2-CD1 4.46Å; F255-I257 HydrophobicContact CE2-CG1 3.86Å
258T98.5Very high98.3Very high33 Ų3328.5 Ų28.520%0.20216%0.158CC..EExtended strand (participates in β ladder)trans-109.3167.2172.282.20000110.5V256 D260 G261 V263V256-T258 HydrophobicContact CG1-CG2 4.2Å; V256-T258 PolarHBondContact O-N 3.04Å; T258-D260 PolarHBondContact O-N 2.84Å; T258-D260 PolarHBondContact OG1-N 3.24Å; T258-D260 VanDerWaalsContact OG1-N 3.16Å; T258-G261 WeakPolarHBondContact CB-O 3.29Å; T258-G261 PolarHBondContact N-O 2.58Å; T258-G261 PolarHBondContact O-N 2.94Å; T258-G261 PolarHBondContact OG1-N 3.17Å; T258-G261 PolarHBondContact OG1-O 2.69Å; T258-V263 HydrophobicContact CG2-CB 4.34Å; T258-V263 HydrophobicContact CG2-CG2 3.69Å
259K97.4Very high98.1Very high148 Ų14830.9 Ų30.964%0.64318%0.182SC*.THydrogen-bonded Turntrans-57.2-25.6170.868.2-175.3-175.9179.50114E213E213-K259 WeakPolarHBondContact OE1-CB 3.19Å; E213-K259 PolarHBondContact OE1-N 3.15Å; E213-K259 VanDerWaalsContact OE1-N 3.14Å
260D97.1Very high97.9Very high139 Ų13938 Ų3874%0.74322%0.215SC*.THydrogen-bonded Turntrans-98.12.2-175.6-60.6-50000112.2T258T258-D260 PolarHBondContact O-N 2.84Å; T258-D260 PolarHBondContact OG1-N 3.24Å; T258-D260 VanDerWaalsContact OG1-N 3.16Å
261G96.8Very high97.7Very high16 Ų1640.3 Ų40.317%0.16523%0.226CC..EExtended strand (participates in β ladder)trans123.7175.4-177.400000113.1T258T258-G261 WeakPolarHBondContact CB-O 3.29Å; T258-G261 PolarHBondContact N-O 2.58Å; T258-G261 PolarHBondContact O-N 2.94Å; T258-G261 PolarHBondContact OG1-N 3.17Å; T258-G261 PolarHBondContact OG1-O 2.69Å
262P98.4Very high97.4Very high39 Ų3945 Ų4525%0.25324%0.244SC..EExtended strand (participates in β ladder)trans-67.7138.6174.530.7-36.7000111I153 F255 V256I153-P262 HydrophobicContact CG2-CB 3.73Å; I153-P262 HydrophobicContact CG2-CG 3.54Å; I153-P262 WeakPolarHBondContact O-CG 2.76Å; F255-P262 HydrophobicContact CD2-CB 3.62Å; F255-P262 HydrophobicContact CE2-CB 4.08Å; F255-P262 HydrophobicContact CG-CB 4.33Å; V256-P262 WeakPolarHBondContact O-CA 3.44Å
263V98.2Very high97Very high73 Ų7349.3 Ų49.344%0.44227%0.27SS..EExtended strand (participates in β ladder)trans-113.6113.1171.2175.60000108F255 V256 T258 L265F255-V263 CarbonylContact C-O 3.58Å; F255-V263 VanDerWaalsContact CA-O 3.27Å; F255-V263 WeakPolarHBondContact CA-O 3.33Å; F255-V263 VanDerWaalsContact CB-O 3.24Å; F255-V263 WeakPolarHBondContact CB-O 3.38Å; V256-V263 HydrophobicContact CG1-CB 3.92Å; V256-V263 PolarHBondContact N-O 3.27Å; V256-V263 PolarHBondContact O-N 2.95Å; T258-V263 HydrophobicContact CG2-CB 4.34Å; T258-V263 HydrophobicContact CG2-CG2 3.69Å; V263-L265 PolarHBondContact O-N 2.99Å
264I98.6Very high96.6Very high31 Ų3151 Ų5116%0.15928%0.277CS..EExtended strand (participates in β ladder)trans-72121.6-178.1-61.1174000109.3Y150 I153 H253 F255 E271Y150-I264 HydrophobicContact CE1-CD1 4Å; I153-I264 HydrophobicContact CD1-CD1 4.08Å; I153-I264 HydrophobicContact CD1-CG1 4.39Å; I153-I264 HydrophobicContact CG2-CG1 4.44Å; H253-I264 HydrophobicContact CB-CG2 3.92Å; F255-I264 HydrophobicContact CB-CG1 4.28Å; I264-E271 HydrophobicContact CD1-CG 4.05Å
265L98.3Very high96.5Very high16 Ų1653.5 Ų53.58%0.08429%0.29CS..SBendtrans-88.3-26.3-177.5-59.4178.9000111.7M1 D2 G5 V216 Q254 V256 V263M1-L265 HydrophobicContact CB-CD1 3.91Å; M1-L265 HydrophobicContact SD-CD1 4.26Å; D2-L265 WeakPolarHBondContact OD1-CD2 3.15Å; G5-L265 VanDerWaalsContact CA-O 3.29Å; G5-L265 WeakPolarHBondContact CA-O 3.25Å; V216-L265 HydrophobicContact CG1-CD1 4.06Å; Q254-L265 HydrophobicContact CG-CD1 4.33Å; Q254-L265 WeakPolarHBondContact O-CB 3.3Å; Q254-L265 PolarHBondContact O-N 3.08Å; V256-L265 HydrophobicContact CB-CD1 4.39Å; V256-L265 HydrophobicContact CG1-CD2 4.05Å; V256-L265 HydrophobicContact CG1-CG 4.48Å; V263-L265 PolarHBondContact O-N 2.99Å
266T98.3Very high96.4Very high0 Ų056.3 Ų56.30%031%0.306CS..SBendtrans-101.328.4176.1540000113.2L8 A123 H253 Q254 Q268L8-T266 HydrophobicContact CD2-CG2 4.19Å; A123-T266 HydrophobicContact CB-CG2 3.94Å; H253-T266 WeakPolarHBondContact CA-OG1 3.35Å; H253-T266 PolarHBondContact CE1-O 3.01Å; H253-T266 PolarHBondContact ND1-O 2.61Å; H253-T266 PolarHBondContact ND1-OG1 3.13Å; Q254-T266 HydrophobicContact CB-CG2 4.25Å; Q254-T266 PolarHBondContact N-OG1 2.99Å; Q254-T266 PolarHBondContact O-N 3.32Å; T266-Q268 PolarHBondContact O-N 3.46Å
267S98.4Very high96.3Very high40 Ų4057.6 Ų57.628%0.2831%0.312SS..  trans-59.1135.6178.5178.30000110.7A9 G269 E271A9-S267 VanDerWaalsContact CB-O 3.26Å; A9-S267 WeakPolarHBondContact CB-O 3.43Å; S267-G269 PolarHBondContact OG-N 3.16Å; S267-G269 PolarHBondContact OG-O 2.81Å; S267-E271 WeakPolarHBondContact CB-OE1 3.28Å; S267-E271 PolarHBondContact OG-OE1 3.16Å
268Q97.2Very high96.1Very high20 Ų2061 Ų619%0.09333%0.33CS..  trans-103.46.9177.8-53.3179.332.700112.9A9 I13 T266 Y274A9-Q268 HydrophobicContact CB-CG 4.07Å; I13-Q268 HydrophobicContact CD1-CB 4.28Å; I13-Q268 HydrophobicContact CG1-CB 4.2Å; T266-Q268 PolarHBondContact O-N 3.46Å; Q268-Y274 HydrophobicContact CB-CD1 4.04Å; Q268-Y274 HydrophobicContact CB-CD2 3.85Å; Q268-Y274 HydrophobicContact CB-CE1 3.86Å; Q268-Y274 HydrophobicContact CB-CE2 3.67Å; Q268-Y274 HydrophobicContact CB-CG 4.03Å; Q268-Y274 HydrophobicContact CG-CD2 4.2Å; Q268-Y274 HydrophobicContact CG-CE2 3.76Å; Q268-Y274 PolarHBondContact N-OH 2.77Å
269G95.2Very high96Very high49 Ų4962.8 Ų62.851%0.50534%0.338SS..SBendtrans143.5-131.6-177.500000112.5S267 E271S267-G269 PolarHBondContact OG-N 3.16Å; S267-G269 PolarHBondContact OG-O 2.81Å; G269-E271 PolarHBondContact O-N 3.14Å
270E94.8Very high95.9Very high149 Ų14957.1 Ų57.170%0.69632%0.317SS*.SBendtrans-74.8119.7173.1-170.9-179.5172.300109.4T273 Y274E270-T273 HydrophobicContact CB-CG2 3.75Å; E270-T273 HydrophobicContact CG-CG2 3.58Å; E270-T273 PolarHBondContact O-N 2.85Å; E270-T273 PolarHBondContact O-OG1 2.72Å; E270-Y274 WeakPolarHBondContact O-CD1 3.46Å; E270-Y274 WeakPolarHBondContact O-CE1 3.46Å
271E95.1Very high95.8Very high57 Ų5751.2 Ų51.227%0.26629%0.287SS..THydrogen-bonded Turntrans-58.3142.2-177-61.5-54.5149.800111.7Y150 H253 I264 S267 G269 T273 Y274Y150-E271 HydrophobicContact CE1-CB 3.86Å; Y150-E271 HydrophobicContact CE1-CG 4.31Å; Y150-E271 WeakPolarHBondContact CE1-OE2 3.47Å; Y150-E271 PolarHBondContact OH-OE2 3.23Å; H253-E271 IonicContact NE2-OE2 2.87Å; I264-E271 HydrophobicContact CD1-CG 4.05Å; S267-E271 WeakPolarHBondContact CB-OE1 3.28Å; S267-E271 PolarHBondContact OG-OE1 3.16Å; G269-E271 PolarHBondContact O-N 3.14Å; E271-T273 PolarHBondContact O-N 2.93Å; E271-Y274 PolarHBondContact OE2-OH 2.88Å
272R92Very high95.7Very high102 Ų10253.9 Ų53.939%0.38530%0.296SS..THydrogen-bonded Turntrans68.25.1-176.6-54.3160.9165.2-102.22.8115.3E147 Y150 E154E147-R272 IonicContact OE1-CZ 2.74Å; E147-R272 IonicContact OE1-NH1 3.8Å; E147-R272 PolarHBondContact OE1-NH1 2.91Å; E147-R272 IonicContact OE1-NH2 3.61Å; E147-R272 PolarHBondContact OE1-NH2 3.4Å; E147-R272 IonicContact OE2-CZ 3.4Å; E147-R272 IonicContact OE2-NH1 2.88Å; E147-R272 PolarHBondContact OE2-NH1 2.9Å; E147-R272 IonicContact OE2-NH2 3.52Å; Y150-R272 HydrophobicContact CD1-CG 4.09Å; Y150-R272 HydrophobicContact CD2-CG 3.47Å; Y150-R272 VanDerWaalsContact CD2-CG 3.47Å; Y150-R272 HydrophobicContact CE1-CG 4.13Å; Y150-R272 HydrophobicContact CE2-CB 4.21Å; Y150-R272 HydrophobicContact CE2-CG 3.5Å; Y150-R272 HydrophobicContact CG-CG 3.76Å; Y150-R272 PolarHBondContact OH-N 3.25Å; E154-R272 IonicContact OE1-CZ 2.99Å; E154-R272 IonicContact OE1-NH2 3.7Å; E154-R272 PolarHBondContact OE1-NH2 3.24Å
273T91.1Very high95.5Very high90 Ų9055.2 Ų55.255%0.55230%0.3SS*.  trans-101.5-5.9179.376.40000115E270 E271E270-T273 HydrophobicContact CB-CG2 3.75Å; E270-T273 HydrophobicContact CG-CG2 3.58Å; E270-T273 PolarHBondContact O-N 2.85Å; E270-T273 PolarHBondContact O-OG1 2.72Å; E271-T273 PolarHBondContact O-N 2.93Å
274Y89.1Confident95.3Very high35 Ų3553.5 Ų53.514%0.13729%0.287CS..  trans-125.10-169.659.5-106000114.6R16 W127 K146 Y150 H253 Q268 E270 E271R16-Y274 PolarHBondContact NE-OXT 3.18Å; R16-Y274 PolarHBondContact NH2-OXT 3.4Å; W127-Y274 AromaticContact CE2-CD2 3.89Å; W127-Y274 AromaticContact CE2-CE2 3.64Å; W127-Y274 HydrophobicContact CH2-CE2 4.03Å; W127-Y274 AromaticContact CZ2-CD2 3.83Å; W127-Y274 HydrophobicContact CZ2-CD2 3.83Å; W127-Y274 AromaticContact CZ2-CE2 3.27Å; W127-Y274 HydrophobicContact CZ2-CE2 3.27Å; W127-Y274 AromaticContact NE1-CD2 3.6Å; W127-Y274 AromaticContact NE1-CE2 3.85Å; K146-Y274 PolarHBondContact NZ-O 2.86Å; Y150-Y274 PolarHBondContact OH-OH 2.82Å; H253-Y274 PolarHBondContact CE1-OH 3.11Å; H253-Y274 AromaticContact NE2-CZ 3.83Å; H253-Y274 PolarHBondContact NE2-OH 3.2Å; Q268-Y274 HydrophobicContact CB-CD1 4.04Å; Q268-Y274 HydrophobicContact CB-CD2 3.85Å; Q268-Y274 HydrophobicContact CB-CE1 3.86Å; Q268-Y274 HydrophobicContact CB-CE2 3.67Å; Q268-Y274 HydrophobicContact CB-CG 4.03Å; Q268-Y274 HydrophobicContact CG-CD2 4.2Å; Q268-Y274 HydrophobicContact CG-CE2 3.76Å; Q268-Y274 PolarHBondContact N-OH 2.77Å; E270-Y274 WeakPolarHBondContact O-CD1 3.46Å; E270-Y274 WeakPolarHBondContact O-CE1 3.46Å; E271-Y274 PolarHBondContact OE2-OH 2.88Å

Retrieved 274 of 274 residues in 87 ms (Link to these results)

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