A0A5K4F0M4_SCHMA Loading...

Metallophos domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F0M4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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
1M98.7Very high95.1Very high11 Ų1112.2 Ų12.25%0.0545%0.05CC..  0136.50-178.8165.97300108.3L3 F30 L34 P39 A41 V42 I43 F298 L299 M300M1-L3 HydrophobicContact CE-CD2 4.35Å; M1-F30 HydrophobicContact CE-CD2 3.73Å; M1-F30 HydrophobicContact CE-CE2 3.43Å; M1-F30 VanDerWaalsContact CE-CE2 3.43Å; M1-F30 HydrophobicContact CE-CZ 4.43Å; M1-L34 HydrophobicContact CE-CD2 3.96Å; M1-P39 HydrophobicContact CB-CB 3.9Å; M1-P39 HydrophobicContact CB-CG 3.97Å; M1-P39 HydrophobicContact CE-CG 4.45Å; M1-A41 PolarHBondContact N-O 2.8Å; M1-V42 HydrophobicContact CB-CG2 4.3Å; M1-V42 HydrophobicContact CE-CB 4.33Å; M1-V42 HydrophobicContact CE-CG1 3.9Å; M1-V42 HydrophobicContact CE-CG2 3.49Å; M1-V42 VanDerWaalsContact CE-CG2 3.49Å; M1-V42 CarbonylContact O-C 3.55Å; M1-V42 VanDerWaalsContact O-CA 3.28Å; M1-V42 WeakPolarHBondContact O-CA 3.21Å; M1-I43 PolarHBondContact O-N 3.46Å; M1-F298 HydrophobicContact CG-CD2 3.53Å; M1-F298 HydrophobicContact CG-CE2 3.9Å; M1-F298 HydrophobicContact CG-CG 4.26Å; M1-F298 HydrophobicContact SD-CD2 3.76Å; M1-F298 HydrophobicContact SD-CE2 3.64Å; M1-F298 HydrophobicContact SD-CG 4.34Å; M1-F298 HydrophobicContact SD-CZ 4.16Å; M1-L299 CarbonylContact C-O 3.59Å; M1-L299 WeakPolarHBondContact CA-O 3.22Å; M1-M300 HydrophobicContact CB-SD 3.8Å; M1-M300 HydrophobicContact CG-SD 4.08Å
2V98.9Very high93.7Very high1 Ų118.8 Ų18.81%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-133.1122.2-177.3-169.70000109.3I43 L45 L259 V285 F298 L299 L301V2-I43 CarbonylContact C-O 3.08Å; V2-I43 WeakPolarHBondContact CA-O 3.5Å; V2-I43 HydrophobicContact CG1-CB 4.17Å; V2-I43 HydrophobicContact CG1-CG2 4.25Å; V2-I43 HydrophobicContact CG2-CB 4.31Å; V2-I43 HydrophobicContact CG2-CD1 4.24Å; V2-L45 HydrophobicContact CG1-CD1 3.56Å; V2-L45 HydrophobicContact CG1-CD2 4.34Å; V2-L45 HydrophobicContact CG1-CG 3.78Å; V2-L259 HydrophobicContact CG1-CD1 4.14Å; V2-L259 HydrophobicContact CG2-CD1 3.93Å; V2-V285 HydrophobicContact CG1-CG2 4.11Å; V2-F298 WeakPolarHBondContact O-CA 3.17Å; V2-F298 WeakPolarHBondContact O-CB 3.26Å; V2-L299 HydrophobicContact CB-CB 4.3Å; V2-L299 PolarHBondContact N-O 2.94Å; V2-L299 PolarHBondContact O-N 2.66Å; V2-L301 HydrophobicContact CG2-CB 4.4Å
3L98.6Very high92.4Very high0 Ų024.5 Ų24.50%012%0.123CC..EExtended strand (participates in β ladder)trans-130.5162.9-1796699.3000109.8M1 T6 F30 V42 I43 I44 L45 F71 F288 F298M1-L3 HydrophobicContact CE-CD2 4.35Å; L3-T6 HydrophobicContact CD1-CG2 3.46Å; L3-T6 VanDerWaalsContact CD1-CG2 3.46Å; L3-F30 HydrophobicContact CD2-CD2 4.24Å; L3-F30 HydrophobicContact CD2-CE2 4.25Å; L3-V42 HydrophobicContact CD2-CG1 3.68Å; L3-V42 HydrophobicContact CG-CG1 4.47Å; L3-I43 PolarHBondContact N-O 2.93Å; L3-I44 HydrophobicContact CD1-CB 4.11Å; L3-I44 HydrophobicContact CD1-CD1 4.18Å; L3-I44 HydrophobicContact CD1-CG1 3.79Å; L3-I44 HydrophobicContact CD1-CG2 3.59Å; L3-I44 HydrophobicContact CD2-CG1 4.28Å; L3-I44 HydrophobicContact CG-CB 4.46Å; L3-I44 HydrophobicContact CG-CG1 3.96Å; L3-I44 HydrophobicContact CG-CG2 4.41Å; L3-I44 CarbonylContact O-C 3.54Å; L3-I44 WeakPolarHBondContact O-CA 3.34Å; L3-L45 PolarHBondContact O-N 2.63Å; L3-F71 HydrophobicContact CD1-CE1 4.37Å; L3-F288 HydrophobicContact CB-CB 4.23Å; L3-F288 HydrophobicContact CB-CD2 4Å; L3-F288 HydrophobicContact CB-CG 4.24Å; L3-F288 HydrophobicContact CD1-CB 4.33Å; L3-F288 HydrophobicContact CD1-CG 4.41Å; L3-F298 HydrophobicContact CB-CB 4.06Å
4A98.7Very high91.2Very high0 Ų023.4 Ų23.40%012%0.121CC..BIsolated β-bridgetrans-150.8162.2-177.500000110.7T6 L45 V285 S287 F288A4-T6 PolarHBondContact O-N 2.98Å; A4-L45 HydrophobicContact CB-CB 3.92Å; A4-V285 HydrophobicContact CB-CB 3.95Å; A4-V285 HydrophobicContact CB-CG1 4.1Å; A4-S287 WeakPolarHBondContact O-CA 3.19Å; A4-F288 PolarHBondContact O-N 3.2Å
5D98.6Very high90.8Very high0 Ų030 Ų300%015%0.151CC..  trans54.452.9165.6-52.6-77.2000112H7 G46 D47 H206 H262 H264 S287 N292D5-H7 VanDerWaalsContact C-N 3.32Å; D5-H7 IonicContact OD1-NE2 3.79Å; D5-G46 PolarHBondContact N-O 3.46Å; D5-G46 VanDerWaalsContact N-O 3.09Å; D5-D47 CarbonylContact C-O 3.56Å; D5-H206 IonicContact OD1-CE1 2.59Å; D5-H206 PolarHBondContact OD1-CE1 2.87Å; D5-H262 VanDerWaalsContact OD1-CA 3.25Å; D5-H262 WeakPolarHBondContact OD1-CA 3.44Å; D5-H262 PolarHBondContact OD1-N 3.29Å; D5-H262 VanDerWaalsContact OD1-N 3.08Å; D5-H262 PolarHBondContact OD2-N 3Å; D5-H264 IonicContact OD1-CD2 3.75Å; D5-H264 PolarHBondContact OD1-CD2 3.44Å; D5-H264 IonicContact OD1-NE2 2.76Å; D5-S287 PolarHBondContact O-OG 2.96Å; D5-N292 PolarHBondContact O-ND2 2.92Å
6T97.9Very high90.5Very high0 Ų032.1 Ų32.10%017%0.167CC..  trans-73-30.7178.754.70000111.3L3 A4 L8 M26 D47 I48 F71 F288 S289L3-T6 HydrophobicContact CD1-CG2 3.46Å; L3-T6 VanDerWaalsContact CD1-CG2 3.46Å; A4-T6 PolarHBondContact O-N 2.98Å; T6-L8 PolarHBondContact O-N 3.02Å; T6-M26 HydrophobicContact CG2-SD 4.32Å; T6-M26 VanDerWaalsContact O-SD 3.35Å; T6-D47 PolarHBondContact N-O 3Å; T6-D47 VanDerWaalsContact N-O 3.1Å; T6-I48 VanDerWaalsContact OG1-CA 3.24Å; T6-I48 WeakPolarHBondContact OG1-CA 3.24Å; T6-I48 PolarHBondContact OG1-O 3.19Å; T6-F71 HydrophobicContact CG2-CE1 4.27Å; T6-F71 HydrophobicContact CG2-CE2 4.37Å; T6-F71 HydrophobicContact CG2-CZ 3.55Å; T6-F288 HydrophobicContact CG2-CB 4.09Å; T6-F288 HydrophobicContact CG2-CD1 4.32Å; T6-S289 WeakPolarHBondContact O-CB 3.2Å; T6-S289 PolarHBondContact O-OG 3.33Å
7H96.8Very high90.4Very high4 Ų437.2 Ų37.22%0.01919%0.193CC..  trans47.863.3175-76.4-83.8000112.5D5 V9 D47 I48 D50 H87 H264 N292D5-H7 VanDerWaalsContact C-N 3.32Å; D5-H7 IonicContact OD1-NE2 3.79Å; H7-V9 WeakPolarHBondContact O-CG2 3.05Å; H7-V9 PolarHBondContact O-N 3.1Å; H7-D47 IonicContact CE1-OD2 2.7Å; H7-D47 PolarHBondContact CE1-OD2 2.95Å; H7-D47 VanDerWaalsContact CE1-OD2 3.31Å; H7-D47 PolarHBondContact N-O 3.04Å; H7-D47 IonicContact NE2-OD2 2.86Å; H7-D47 PolarHBondContact NE2-OD2 3.46Å; H7-I48 PolarHBondContact N-O 3.4Å; H7-D50 HydrophobicContact CB-CB 4.15Å; H7-D50 IonicContact CE1-OD1 3.84Å; H7-D50 IonicContact ND1-OD1 3.06Å; H7-D50 PolarHBondContact ND1-OD1 3.49Å; H7-D50 VanDerWaalsContact ND1-OD1 3.13Å; H7-H87 AromaticContact CE1-CD2 3.74Å; H7-H87 AromaticContact CE1-CE1 3.82Å; H7-H87 AromaticContact CE1-CG 3.63Å; H7-H87 AromaticContact CE1-ND1 3.69Å; H7-H87 AromaticContact CE1-NE2 3.95Å; H7-H87 AromaticContact ND1-ND1 3.8Å; H7-H264 AromaticContact CD2-NE2 3.83Å; H7-H264 AromaticContact CE1-NE2 3.99Å; H7-H264 AromaticContact NE2-CE1 3.75Å; H7-H264 AromaticContact NE2-NE2 3.09Å; H7-H264 PolarHBondContact NE2-NE2 3.45Å; H7-N292 PolarHBondContact CD2-ND2 3.42Å
8L96.4Very high90.2Very high0 Ų036.9 Ų36.90%019%0.192CC..BIsolated β-bridgetrans-60.9106.2171.2-88.566.7000108.3T6 M26 I48 L49 D50 L63 R66 F67 I70 F71T6-L8 PolarHBondContact O-N 3.02Å; L8-M26 HydrophobicContact CD1-CE 3.79Å; L8-M26 HydrophobicContact CD1-SD 4.27Å; L8-M26 HydrophobicContact CG-CE 4.27Å; L8-I48 VanDerWaalsContact CD1-O 3.31Å; L8-I48 WeakPolarHBondContact CD1-O 3.27Å; L8-I48 PolarHBondContact N-O 3.43Å; L8-L49 HydrophobicContact CB-CD2 4.23Å; L8-L49 HydrophobicContact CD2-CD2 4.39Å; L8-D50 PolarHBondContact O-N 3.46Å; L8-L63 HydrophobicContact CB-CD2 4.11Å; L8-L63 WeakPolarHBondContact O-CD2 3.15Å; L8-R66 HydrophobicContact CD2-CB 4.17Å; L8-F67 HydrophobicContact CD2-CB 3.84Å; L8-I70 HydrophobicContact CD1-CD1 4.49Å; L8-I70 HydrophobicContact CD2-CD1 4.06Å; L8-I70 HydrophobicContact CG-CD1 4.18Å; L8-F71 HydrophobicContact CD1-CE2 4.04Å
9V92.6Very high90.2Very high3 Ų336.1 Ų36.12%0.01819%0.186CC..  trans-69.9133.3-173.9-163.30000109.7H7 L13 R19 R66H7-V9 WeakPolarHBondContact O-CG2 3.05Å; H7-V9 PolarHBondContact O-N 3.1Å; V9-L13 HydrophobicContact CG1-CB 4.48Å; V9-R19 VanDerWaalsContact O-CD 3.25Å; V9-R19 WeakPolarHBondContact O-CD 3.39Å; V9-R66 PolarHBondContact O-NH1 3.28Å; V9-R66 PolarHBondContact O-NH2 2.68Å
10G88.8Confident90.3Very high1 Ų140 Ų401%0.0121%0.206CC..  trans-83.7-150.117800000112.5R19 E51G10-R19 PolarHBondContact O-NH1 3.03Å; G10-R19 VanDerWaalsContact O-NH1 3.08Å; G10-E51 WeakPolarHBondContact CA-OE1 3.28Å; G10-E51 VanDerWaalsContact CA-OE2 3.27Å; G10-E51 WeakPolarHBondContact CA-OE2 3.43Å; G10-E51 PolarHBondContact N-OE1 2.97Å; G10-E51 VanDerWaalsContact N-OE1 3.12Å
11Y80.4Confident90.3Very high114 Ų11442.7 Ų42.745%0.44721%0.213SC..SBendtrans-90.2-23.2-179.5-77.1-82.8000112.7E51 D59 Y62Y11-E51 PolarHBondContact N-OE2 3.43Å; Y11-D59 VanDerWaalsContact CD2-OD1 3.26Å; Y11-D59 WeakPolarHBondContact CD2-OD1 3.37Å; Y11-Y62 HydrophobicContact CD2-CD1 4.29Å; Y11-Y62 AromaticContact CE2-CD1 3.34Å; Y11-Y62 HydrophobicContact CE2-CD1 3.34Å; Y11-Y62 AromaticContact CE2-CE1 3.6Å; Y11-Y62 HydrophobicContact CE2-CE1 3.6Å; Y11-Y62 AromaticContact CE2-CG 3.99Å; Y11-Y62 HydrophobicContact CE2-CG 3.99Å; Y11-Y62 AromaticContact CZ-CD1 3.82Å; Y11-Y62 AromaticContact CZ-CE1 3.62Å; Y11-Y62 WeakPolarHBondContact OH-CE1 3.23Å
12V77.7Confident90Very high91 Ų9143.1 Ų43.155%0.55222%0.215SC*.SBendtrans-89.2-42.1-168.6-167.80000112E51 W54V12-E51 PolarHBondContact N-OE1 2.98Å; V12-E51 PolarHBondContact N-OE2 2.78Å; V12-E51 VanDerWaalsContact N-OE2 3.1Å; V12-W54 HydrophobicContact CB-CH2 3.34Å; V12-W54 HydrophobicContact CB-CZ2 4.13Å; V12-W54 HydrophobicContact CB-CZ3 3.81Å; V12-W54 HydrophobicContact CG1-CH2 3.31Å; V12-W54 HydrophobicContact CG1-CZ2 4.44Å; V12-W54 HydrophobicContact CG1-CZ3 3.67Å; V12-W54 HydrophobicContact CG2-CH2 3.8Å; V12-W54 HydrophobicContact CG2-CZ3 3.75Å
13L77.8Confident89.8Confident93 Ų9344.3 Ų44.349%0.48722%0.221SC..SBendtrans-96.5-8.4-176.9-56.4179.3000113.3V9 E51 W54V9-L13 HydrophobicContact CG1-CB 4.48Å; L13-E51 VanDerWaalsContact CB-OE1 3.3Å; L13-E51 WeakPolarHBondContact CB-OE1 3.37Å; L13-E51 HydrophobicContact CD1-CG 4.11Å; L13-E51 HydrophobicContact CG-CG 4.25Å; L13-E51 PolarHBondContact N-OE1 2.99Å; L13-W54 HydrophobicContact CD1-CZ2 3.92Å; L13-W54 HydrophobicContact CD2-CH2 4.24Å; L13-W54 HydrophobicContact CD2-CZ2 4.13Å; L13-W54 HydrophobicContact CG-CH2 4.25Å; L13-W54 HydrophobicContact CG-CZ2 3.79Å
14G74.8Confident89.6Confident10 Ų1048.5 Ų48.510%0.10324%0.237CC..  trans-116124.3-16900000115.1
15H85.3Confident89.5Confident122 Ų12248.8 Ų48.857%0.56524%0.238SC*.  trans-67.3136.1164.6-169.3-90.2000110.2I17 D18 R19H15-I17 VanDerWaalsContact C-N 3.28Å; H15-I17 PolarHBondContact ND1-N 3.02Å; H15-I17 PolarHBondContact O-N 3.08Å; H15-I17 VanDerWaalsContact O-N 3.14Å; H15-D18 PolarHBondContact O-N 3.11Å; H15-R19 PolarHBondContact O-N 3.17Å
16P86.6Confident89.4Confident64 Ų6448.9 Ų48.942%0.41624%0.238SC..Hα-helixtrans-54.4-38.2-175.9-29.435.3000114.8R19 I20P16-R19 WeakPolarHBondContact O-CB 3.07Å; P16-R19 PolarHBondContact O-N 3.32Å; P16-I20 WeakPolarHBondContact O-CG1 3.42Å; P16-I20 PolarHBondContact O-N 3.18Å
17I88.1Confident89.4Confident118 Ų11851.8 Ų51.861%0.60525%0.251SS*.Hα-helixtrans-65.9-42.8177.8-61.2175.9000111.5H15 R19 R21H15-I17 VanDerWaalsContact C-N 3.28Å; H15-I17 PolarHBondContact ND1-N 3.02Å; H15-I17 PolarHBondContact O-N 3.08Å; H15-I17 VanDerWaalsContact O-N 3.14Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R21 WeakPolarHBondContact O-CB 3.39Å; I17-R21 PolarHBondContact O-N 3.18Å
18D86.5Confident89.4Confident32 Ų3259.2 Ų59.217%0.17128%0.279CS..Hα-helixtrans-63.7-45.4177.8-173.948.4000109.4H15 I20 R21 R22H15-D18 PolarHBondContact O-N 3.11Å; D18-I20 PolarHBondContact O-N 2.64Å; D18-R21 WeakPolarHBondContact O-CB 3.03Å; D18-R21 PolarHBondContact O-N 3.02Å; D18-R21 IonicContact OD1-CZ 3.31Å; D18-R21 IonicContact OD1-NE 3.65Å; D18-R21 IonicContact OD1-NH2 3.57Å; D18-R21 PolarHBondContact OD1-NH2 3.27Å; D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.37Å; D18-R22 PolarHBondContact O-N 3.08Å; D18-R22 IonicContact OD1-CZ 3.94Å; D18-R22 IonicContact OD1-NE 3.42Å; D18-R22 PolarHBondContact OD1-NE 3.3Å; D18-R22 IonicContact OD1-NH2 3.92Å
19R91.2Very high89.4Confident21 Ų2159.8 Ų59.88%0.07928%0.284CS..Hα-helixtrans-54.2-54.1176.3-169.9171.564.8-142.43.1112.9V9 G10 H15 P16 I17 R21 R22 D23V9-R19 VanDerWaalsContact O-CD 3.25Å; V9-R19 WeakPolarHBondContact O-CD 3.39Å; G10-R19 PolarHBondContact O-NH1 3.03Å; G10-R19 VanDerWaalsContact O-NH1 3.08Å; H15-R19 PolarHBondContact O-N 3.17Å; P16-R19 WeakPolarHBondContact O-CB 3.07Å; P16-R19 PolarHBondContact O-N 3.32Å; I17-R19 VanDerWaalsContact C-N 3.32Å; R19-R21 VanDerWaalsContact C-N 3.29Å; R19-R21 PolarHBondContact O-N 2.98Å; R19-R22 PolarHBondContact O-N 3.25Å; R19-D23 WeakPolarHBondContact O-CB 3.43Å; R19-D23 VanDerWaalsContact O-CG 3.24Å; R19-D23 PolarHBondContact O-N 2.04Å
20I91.2Very high89.7Confident114 Ų11459.7 Ų59.759%0.58528%0.283SS*.Hα-helixtrans-57.1-44.1177.9-69.1166000111P16 D18 W24P16-I20 WeakPolarHBondContact O-CG1 3.42Å; P16-I20 PolarHBondContact O-N 3.18Å; D18-I20 PolarHBondContact O-N 2.64Å; I20-W24 VanDerWaalsContact O-CB 3.25Å; I20-W24 WeakPolarHBondContact O-CB 3.47Å; I20-W24 PolarHBondContact O-N 2.65Å
21R91Very high90.2Very high97 Ų9762.3 Ų62.337%0.36630%0.295SS..Hα-helixtrans-63.7-44.2-179.9178.3179.761.3179.1-9.5112.2I17 D18 R19 Q25 E318I17-R21 WeakPolarHBondContact O-CB 3.39Å; I17-R21 PolarHBondContact O-N 3.18Å; D18-R21 WeakPolarHBondContact O-CB 3.03Å; D18-R21 PolarHBondContact O-N 3.02Å; D18-R21 IonicContact OD1-CZ 3.31Å; D18-R21 IonicContact OD1-NE 3.65Å; D18-R21 IonicContact OD1-NH2 3.57Å; D18-R21 PolarHBondContact OD1-NH2 3.27Å; R19-R21 VanDerWaalsContact C-N 3.29Å; R19-R21 PolarHBondContact O-N 2.98Å; R21-Q25 PolarHBondContact O-N 3.05Å; R21-Q25 VanDerWaalsContact O-N 3.08Å; R21-E318 WeakPolarHBondContact CD-OE1 3.13Å; R21-E318 IonicContact CZ-OE1 3.88Å; R21-E318 VanDerWaalsContact CZ-OE1 3.31Å; R21-E318 IonicContact NE-OE1 3.37Å; R21-E318 IonicContact NH1-OE1 3.59Å; R21-E318 PolarHBondContact NH1-OE1 2.62Å; R21-E318 IonicContact NH1-OE2 3.07Å
22R92.1Very high91Very high21 Ų2159.1 Ų59.18%0.07929%0.292CS..Hα-helixtrans-71-41.6179.9-58.9-47.7166.1-166.94.4111.7D18 R19 W24 Q25 M26 E318D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.37Å; D18-R22 PolarHBondContact O-N 3.08Å; D18-R22 IonicContact OD1-CZ 3.94Å; D18-R22 IonicContact OD1-NE 3.42Å; D18-R22 PolarHBondContact OD1-NE 3.3Å; D18-R22 IonicContact OD1-NH2 3.92Å; R19-R22 PolarHBondContact O-N 3.25Å; R22-W24 VanDerWaalsContact C-N 3.34Å; R22-W24 PolarHBondContact O-N 2.77Å; R22-Q25 PolarHBondContact O-N 2.95Å; R22-M26 WeakPolarHBondContact O-CG 3.34Å; R22-M26 PolarHBondContact O-N 3.41Å; R22-E318 IonicContact CZ-OE2 2.73Å; R22-E318 IonicContact NH1-OE1 3.01Å; R22-E318 IonicContact NH1-OE2 3.53Å; R22-E318 PolarHBondContact NH1-OE2 3.01Å; R22-E318 IonicContact NH2-OE2 3.57Å; R22-E318 PolarHBondContact NH2-OE2 2.73Å
23D95.3Very high91.9Very high25 Ų2555.1 Ų55.113%0.13427%0.268CS..Hα-helixtrans-59.7-46.4174.8-71.93.4000111.3R19 Q25 M26 K27 R66 I70R19-D23 WeakPolarHBondContact O-CB 3.43Å; R19-D23 VanDerWaalsContact O-CG 3.24Å; R19-D23 PolarHBondContact O-N 2.04Å; D23-Q25 VanDerWaalsContact C-N 3.32Å; D23-Q25 PolarHBondContact O-N 3.4Å; D23-M26 PolarHBondContact O-N 3.32Å; D23-K27 VanDerWaalsContact O-CB 3.28Å; D23-K27 WeakPolarHBondContact O-CB 3.39Å; D23-K27 PolarHBondContact O-N 2.98Å; D23-R66 IonicContact OD1-CZ 3.96Å; D23-R66 IonicContact OD1-NE 3.55Å; D23-R66 IonicContact OD1-NH2 3.53Å; D23-R66 PolarHBondContact OD1-NH2 3.27Å; D23-R66 IonicContact OD2-CZ 2.62Å; D23-R66 IonicContact OD2-NE 3.57Å; D23-R66 PolarHBondContact OD2-NE 2.91Å; D23-R66 IonicContact OD2-NH2 3.31Å; D23-R66 PolarHBondContact OD2-NH2 3.33Å; D23-I70 HydrophobicContact CB-CD1 3.8Å; D23-I70 HydrophobicContact CB-CG1 4.37Å
24W94.6Very high92.9Very high89 Ų8951.7 Ų51.734%0.33725%0.251SS..Hα-helixtrans-58.5-44.9176.1176.992.4000111.6I20 R22 K27 R28 L321 Y325I20-W24 VanDerWaalsContact O-CB 3.25Å; I20-W24 WeakPolarHBondContact O-CB 3.47Å; I20-W24 PolarHBondContact O-N 2.65Å; R22-W24 VanDerWaalsContact C-N 3.34Å; R22-W24 PolarHBondContact O-N 2.77Å; W24-K27 PolarHBondContact O-N 3.13Å; W24-R28 HydrophobicContact CD2-CG 4.09Å; W24-R28 HydrophobicContact CG-CG 4.5Å; W24-R28 HydrophobicContact CH2-CG 4.36Å; W24-R28 HydrophobicContact CZ2-CG 3.8Å; W24-R28 WeakPolarHBondContact O-CB 3.43Å; W24-R28 VanDerWaalsContact O-CG 3.29Å; W24-R28 WeakPolarHBondContact O-CG 3.38Å; W24-R28 PolarHBondContact O-N 3.14Å; W24-L321 HydrophobicContact CH2-CD1 4.33Å; W24-L321 HydrophobicContact CZ3-CD1 4.11Å; W24-Y325 AromaticContact CH2-CE2 3.79Å; W24-Y325 HydrophobicContact CH2-CE2 3.79Å; W24-Y325 AromaticContact CH2-CZ 3.94Å; W24-Y325 VanDerWaalsContact CH2-OH 3.24Å; W24-Y325 WeakPolarHBondContact CH2-OH 3.34Å; W24-Y325 HydrophobicContact CZ2-CE2 4.27Å; W24-Y325 WeakPolarHBondContact CZ2-OH 3.36Å
25Q95.3Very high94Very high6 Ų660.7 Ų60.73%0.02828%0.283CS..Hα-helixtrans-61.3-51.5177.4172.1-102.8-51.200111.6R21 R22 D23 K27 R28 A29 F288 W290 L315R21-Q25 PolarHBondContact O-N 3.05Å; R21-Q25 VanDerWaalsContact O-N 3.08Å; R22-Q25 PolarHBondContact O-N 2.95Å; D23-Q25 VanDerWaalsContact C-N 3.32Å; D23-Q25 PolarHBondContact O-N 3.4Å; Q25-K27 VanDerWaalsContact C-N 3.31Å; Q25-K27 PolarHBondContact O-N 2.88Å; Q25-R28 PolarHBondContact O-N 3.31Å; Q25-A29 WeakPolarHBondContact O-CB 3.45Å; Q25-A29 PolarHBondContact O-N 3.35Å; Q25-F288 PolarHBondContact NE2-O 3.2Å; Q25-F288 VanDerWaalsContact NE2-O 3.09Å; Q25-W290 HydrophobicContact CB-CD2 4.15Å; Q25-W290 HydrophobicContact CB-CE3 3.45Å; Q25-W290 VanDerWaalsContact CB-CE3 3.45Å; Q25-W290 HydrophobicContact CB-CH2 4.02Å; Q25-W290 HydrophobicContact CB-CZ3 3.42Å; Q25-W290 VanDerWaalsContact CB-CZ3 3.42Å; Q25-W290 HydrophobicContact CG-CD2 3.57Å; Q25-W290 HydrophobicContact CG-CE3 3.42Å; Q25-W290 VanDerWaalsContact CG-CE3 3.42Å; Q25-W290 HydrophobicContact CG-CG 4.37Å; Q25-W290 HydrophobicContact CG-CH2 3.79Å; Q25-W290 HydrophobicContact CG-CZ2 3.84Å; Q25-W290 HydrophobicContact CG-CZ3 3.58Å; Q25-L315 VanDerWaalsContact NE2-CD1 3.27Å
26M97.2Very high94.6Very high1 Ų160.7 Ų60.71%0.00529%0.286CS..Hα-helixtrans-61.8-42.4-178.3-69.6-173.1-70.600110.8T6 L8 R22 D23 A29 F30 I70 F288T6-M26 HydrophobicContact CG2-SD 4.32Å; T6-M26 VanDerWaalsContact O-SD 3.35Å; L8-M26 HydrophobicContact CD1-CE 3.79Å; L8-M26 HydrophobicContact CD1-SD 4.27Å; L8-M26 HydrophobicContact CG-CE 4.27Å; R22-M26 WeakPolarHBondContact O-CG 3.34Å; R22-M26 PolarHBondContact O-N 3.41Å; D23-M26 PolarHBondContact O-N 3.32Å; M26-A29 PolarHBondContact O-N 3.4Å; M26-F30 WeakPolarHBondContact O-CB 3.35Å; M26-F30 PolarHBondContact O-N 3.1Å; M26-I70 HydrophobicContact CB-CG2 3.71Å; M26-I70 HydrophobicContact CE-CD1 4.28Å; M26-F288 HydrophobicContact CB-CD1 4.42Å; M26-F288 HydrophobicContact CB-CE1 4.26Å; M26-F288 HydrophobicContact CG-CD1 4.11Å; M26-F288 HydrophobicContact CG-CE1 4.39Å
27K98.1Very high95.1Very high61 Ų6161.3 Ų61.327%0.26528%0.283SS..Hα-helixtrans-61.6-50177.9-173.1172.2-169.1169.20111.3D23 W24 Q25 F30 Q31 D69 I70D23-K27 VanDerWaalsContact O-CB 3.28Å; D23-K27 WeakPolarHBondContact O-CB 3.39Å; D23-K27 PolarHBondContact O-N 2.98Å; W24-K27 PolarHBondContact O-N 3.13Å; Q25-K27 VanDerWaalsContact C-N 3.31Å; Q25-K27 PolarHBondContact O-N 2.88Å; K27-F30 PolarHBondContact O-N 3.25Å; K27-Q31 WeakPolarHBondContact O-CB 3.46Å; K27-Q31 VanDerWaalsContact O-CG 3.28Å; K27-Q31 WeakPolarHBondContact O-CG 3.49Å; K27-Q31 PolarHBondContact O-N 2.92Å; K27-D69 WeakPolarHBondContact CE-O 3.39Å; K27-D69 IonicContact NZ-OD1 3.85Å; K27-D69 PolarHBondContact NZ-OD1 3.15Å; K27-D69 IonicContact NZ-OD2 3.33Å; K27-D69 PolarHBondContact NZ-OD2 3.08Å; K27-I70 HydrophobicContact CB-CG1 4.38Å; K27-I70 HydrophobicContact CB-CG2 4.33Å
28R96.3Very high95.5Very high160 Ų16061 Ų6160%0.60428%0.283SS*.Hα-helixtrans-64.5-44179.6-69.1-64.2179.3-177.5-1.5112.1W24 Q25 A32W24-R28 HydrophobicContact CD2-CG 4.09Å; W24-R28 HydrophobicContact CG-CG 4.5Å; W24-R28 HydrophobicContact CH2-CG 4.36Å; W24-R28 HydrophobicContact CZ2-CG 3.8Å; W24-R28 WeakPolarHBondContact O-CB 3.43Å; W24-R28 VanDerWaalsContact O-CG 3.29Å; W24-R28 WeakPolarHBondContact O-CG 3.38Å; W24-R28 PolarHBondContact O-N 3.14Å; Q25-R28 PolarHBondContact O-N 3.31Å; R28-A32 WeakPolarHBondContact O-CB 3.34Å; R28-A32 PolarHBondContact O-N 2.96Å
29A97.1Very high96.1Very high13 Ų1359.8 Ų59.811%0.10728%0.277CS..Hα-helixtrans-62.1-46.5177.600000111.6Q25 M26 S33 F288 L315Q25-A29 WeakPolarHBondContact O-CB 3.45Å; Q25-A29 PolarHBondContact O-N 3.35Å; M26-A29 PolarHBondContact O-N 3.4Å; A29-S33 VanDerWaalsContact O-CB 3.26Å; A29-S33 WeakPolarHBondContact O-CB 3.26Å; A29-S33 PolarHBondContact O-N 3.24Å; A29-S33 PolarHBondContact O-OG 3.12Å; A29-F288 HydrophobicContact CB-CE1 4.05Å; A29-F288 HydrophobicContact CB-CZ 3.68Å; A29-L315 HydrophobicContact CB-CD1 3.64Å; A29-L315 HydrophobicContact CB-CD2 3.73Å; A29-L315 HydrophobicContact CB-CG 4.26Å
30F98.5Very high96.4Very high0 Ų063.9 Ų63.90%030%0.3CS..Hα-helixtrans-64.2-49.9-179.8-175.3-107.1000111.5M1 L3 M26 K27 A32 S33 L34 V42 F71 F288M1-F30 HydrophobicContact CE-CD2 3.73Å; M1-F30 HydrophobicContact CE-CE2 3.43Å; M1-F30 VanDerWaalsContact CE-CE2 3.43Å; M1-F30 HydrophobicContact CE-CZ 4.43Å; L3-F30 HydrophobicContact CD2-CD2 4.24Å; L3-F30 HydrophobicContact CD2-CE2 4.25Å; M26-F30 WeakPolarHBondContact O-CB 3.35Å; M26-F30 PolarHBondContact O-N 3.1Å; K27-F30 PolarHBondContact O-N 3.25Å; F30-A32 PolarHBondContact O-N 3.16Å; F30-S33 PolarHBondContact O-N 3.34Å; F30-S33 VanDerWaalsContact O-N 3.13Å; F30-L34 HydrophobicContact CD1-CD1 4.01Å; F30-L34 HydrophobicContact CD1-CG 4.35Å; F30-L34 HydrophobicContact CE1-CD1 3.44Å; F30-L34 VanDerWaalsContact CE1-CD1 3.44Å; F30-L34 HydrophobicContact CE1-CG 4.01Å; F30-L34 HydrophobicContact CE2-CD2 4.36Å; F30-L34 HydrophobicContact CE2-CG 4.43Å; F30-L34 HydrophobicContact CZ-CD1 3.81Å; F30-L34 HydrophobicContact CZ-CD2 4.1Å; F30-L34 HydrophobicContact CZ-CG 4.06Å; F30-L34 WeakPolarHBondContact O-CG 3.38Å; F30-L34 PolarHBondContact O-N 3.26Å; F30-V42 HydrophobicContact CE2-CG1 4Å; F30-V42 HydrophobicContact CE2-CG2 4.11Å; F30-V42 HydrophobicContact CZ-CG2 4.27Å; F30-F71 HydrophobicContact CB-CD1 4.28Å; F30-F71 HydrophobicContact CB-CE1 4.44Å; F30-F71 HydrophobicContact CD1-CB 4.33Å; F30-F71 AromaticContact CD1-CD1 3.99Å; F30-F71 HydrophobicContact CD1-CD1 3.99Å; F30-F71 AromaticContact CD2-CD1 3.62Å; F30-F71 HydrophobicContact CD2-CD1 3.62Å; F30-F71 HydrophobicContact CD2-CE1 4.07Å; F30-F71 HydrophobicContact CE1-CB 4.01Å; F30-F71 HydrophobicContact CE1-CD1 4.18Å; F30-F71 WeakPolarHBondContact CE1-O 3.45Å; F30-F71 AromaticContact CE2-CD1 3.84Å; F30-F71 HydrophobicContact CE2-CD1 3.84Å; F30-F71 AromaticContact CG-CD1 3.69Å; F30-F71 HydrophobicContact CG-CD1 3.69Å; F30-F71 HydrophobicContact CG-CE1 4.24Å; F30-F71 HydrophobicContact CZ-CB 4.26Å; F30-F71 HydrophobicContact CZ-CD1 4.11Å; F30-F288 HydrophobicContact CB-CE1 4.39Å; F30-F288 HydrophobicContact CB-CZ 4.32Å
31Q98.2Very high96.7Very high56 Ų5659 Ų5926%0.26228%0.278SS..Hα-helixtrans-61.8-43.3178.2-67.4-50.5-48.200112.7K27 S33 L34 Y35 H72K27-Q31 WeakPolarHBondContact O-CB 3.46Å; K27-Q31 VanDerWaalsContact O-CG 3.28Å; K27-Q31 WeakPolarHBondContact O-CG 3.49Å; K27-Q31 PolarHBondContact O-N 2.92Å; Q31-S33 VanDerWaalsContact C-N 3.3Å; Q31-S33 PolarHBondContact O-N 3.32Å; Q31-L34 PolarHBondContact O-N 2.87Å; Q31-Y35 WeakPolarHBondContact O-CB 3.28Å; Q31-Y35 PolarHBondContact O-N 3.45Å; Q31-H72 PolarHBondContact NE2-CE1 2.99Å; Q31-H72 PolarHBondContact NE2-ND1 3.21Å; Q31-H72 PolarHBondContact NE2-NE2 2.95Å; Q31-H72 PolarHBondContact NE2-O 3.35Å; Q31-H72 PolarHBondContact OE1-NE2 3.31Å
32A97.5Very high97.1Very high47 Ų4754.4 Ų54.439%0.38826%0.26SS..Hα-helixtrans-63.1-38.917500000111.7R28 F30 Y35 L36R28-A32 WeakPolarHBondContact O-CB 3.34Å; R28-A32 PolarHBondContact O-N 2.96Å; F30-A32 PolarHBondContact O-N 3.16Å; A32-Y35 PolarHBondContact O-N 3.47Å; A32-L36 VanDerWaalsContact O-CB 3.31Å; A32-L36 WeakPolarHBondContact O-CB 3.46Å; A32-L36 VanDerWaalsContact O-CG 3.23Å; A32-L36 WeakPolarHBondContact O-CG 3.32Å; A32-L36 PolarHBondContact O-N 2.9Å
33S98.1Very high97.4Very high7 Ų753.8 Ų53.85%0.04926%0.258CS..Hα-helixtrans-68-40.5179-580000111.9A29 F30 Q31 H37 F298A29-S33 VanDerWaalsContact O-CB 3.26Å; A29-S33 WeakPolarHBondContact O-CB 3.26Å; A29-S33 PolarHBondContact O-N 3.24Å; A29-S33 PolarHBondContact O-OG 3.12Å; F30-S33 PolarHBondContact O-N 3.34Å; F30-S33 VanDerWaalsContact O-N 3.13Å; Q31-S33 VanDerWaalsContact C-N 3.3Å; Q31-S33 PolarHBondContact O-N 3.32Å; S33-H37 VanDerWaalsContact O-CB 3.26Å; S33-H37 WeakPolarHBondContact O-CB 3.44Å; S33-H37 PolarHBondContact O-CD2 2.9Å; S33-H37 PolarHBondContact O-N 3.41Å; S33-F298 WeakPolarHBondContact OG-CE1 3.44Å; S33-F298 VanDerWaalsContact OG-CZ 3.3Å; S33-F298 WeakPolarHBondContact OG-CZ 3.43Å
34L98.1Very high97.5Very high22 Ų2252.6 Ų52.612%0.11525%0.252CS..Hα-helixtrans-60.8-46.9172.4-70.6-173.5000111.3M1 F30 Q31 N38 P39 V42 H73 T78M1-L34 HydrophobicContact CE-CD2 3.96Å; F30-L34 HydrophobicContact CD1-CD1 4.01Å; F30-L34 HydrophobicContact CD1-CG 4.35Å; F30-L34 HydrophobicContact CE1-CD1 3.44Å; F30-L34 VanDerWaalsContact CE1-CD1 3.44Å; F30-L34 HydrophobicContact CE1-CG 4.01Å; F30-L34 HydrophobicContact CE2-CD2 4.36Å; F30-L34 HydrophobicContact CE2-CG 4.43Å; F30-L34 HydrophobicContact CZ-CD1 3.81Å; F30-L34 HydrophobicContact CZ-CD2 4.1Å; F30-L34 HydrophobicContact CZ-CG 4.06Å; F30-L34 WeakPolarHBondContact O-CG 3.38Å; F30-L34 PolarHBondContact O-N 3.26Å; Q31-L34 PolarHBondContact O-N 2.87Å; L34-N38 VanDerWaalsContact O-CA 3.25Å; L34-N38 WeakPolarHBondContact O-CA 3.49Å; L34-N38 PolarHBondContact O-N 2.89Å; L34-P39 HydrophobicContact CD2-CG 3.8Å; L34-V42 HydrophobicContact CD2-CG2 4.03Å; L34-H73 HydrophobicContact CD1-CB 3.81Å; L34-T78 HydrophobicContact CD2-CG2 4.25Å
35Y97.5Very high97.7Very high198 Ų19848.4 Ų48.478%0.77624%0.236SC*.Hα-helixtrans-62.8-46.9179.4177.9-97.4000112.7Q31 A32Q31-Y35 WeakPolarHBondContact O-CB 3.28Å; Q31-Y35 PolarHBondContact O-N 3.45Å; A32-Y35 PolarHBondContact O-N 3.47Å
36L97.8Very high97.9Very high122 Ų12248.1 Ų48.164%0.63924%0.235SC*.Hα-helixtrans-76.7-36.7-174.9-70170.8000113.3A32A32-L36 VanDerWaalsContact O-CB 3.31Å; A32-L36 WeakPolarHBondContact O-CB 3.46Å; A32-L36 VanDerWaalsContact O-CG 3.23Å; A32-L36 WeakPolarHBondContact O-CG 3.32Å; A32-L36 PolarHBondContact O-N 2.9Å
37H97.3Very high98Very high77 Ų7748.1 Ų48.136%0.35624%0.235SC..Hα-helixtrans-107.4-16.1-171.1-59.9-55.4000114.3S33 F298 M300S33-H37 VanDerWaalsContact O-CB 3.26Å; S33-H37 WeakPolarHBondContact O-CB 3.44Å; S33-H37 PolarHBondContact O-CD2 2.9Å; S33-H37 PolarHBondContact O-N 3.41Å; H37-F298 AromaticContact CD2-CE2 3.9Å; H37-F298 AromaticContact CD2-CZ 3.64Å; H37-F298 AromaticContact NE2-CZ 3.76Å; H37-M300 HydrophobicContact CB-CE 3.76Å; H37-M300 HydrophobicContact CB-SD 4.07Å
38N96.9Very high98Very high111 Ų11145.2 Ų45.259%0.59422%0.222SC*.  trans4156.8178-168.537.8000114.2L34L34-N38 VanDerWaalsContact O-CA 3.25Å; L34-N38 WeakPolarHBondContact O-CA 3.49Å; L34-N38 PolarHBondContact O-N 2.89Å
39P98.2Very high98Very high8 Ų837.6 Ų37.65%0.05219%0.193CC..  trans-72.5142.6-173.631.5-35.8000112.1M1 L34 A41 V42 T78 M300M1-P39 HydrophobicContact CB-CB 3.9Å; M1-P39 HydrophobicContact CB-CG 3.97Å; M1-P39 HydrophobicContact CE-CG 4.45Å; L34-P39 HydrophobicContact CD2-CG 3.8Å; P39-A41 VanDerWaalsContact C-N 3.26Å; P39-A41 PolarHBondContact O-N 3.31Å; P39-V42 HydrophobicContact CG-CG2 4.2Å; P39-T78 HydrophobicContact CG-CG2 4.44Å; P39-T78 WeakPolarHBondContact O-CG2 3.41Å; P39-T78 PolarHBondContact O-OG1 2.89Å; P39-M300 HydrophobicContact CB-CE 4.48Å
40N97.5Very high98Very high106 Ų10637.2 Ų37.257%0.56719%0.189SC*.SBendtrans-64.1-33.7172.9-53103.4000112.3L79 F121 F122N40-L79 PolarHBondContact O-N 2.91Å; N40-L79 VanDerWaalsContact O-N 3.12Å; N40-F121 HydrophobicContact CB-CE1 3.92Å; N40-F121 HydrophobicContact CB-CZ 4.07Å; N40-F122 HydrophobicContact CB-CE2 4.49Å
41A98.2Very high97.8Very high13 Ų1337.3 Ų37.311%0.10719%0.19CC..EExtended strand (participates in β ladder)trans-144.4150.6175.600000112.5M1 P39 L79 W119 F121M1-A41 PolarHBondContact N-O 2.8Å; P39-A41 VanDerWaalsContact C-N 3.26Å; P39-A41 PolarHBondContact O-N 3.31Å; A41-L79 CarbonylContact C-O 3.19Å; A41-L79 WeakPolarHBondContact CA-O 3.45Å; A41-L79 HydrophobicContact CB-CB 4.34Å; A41-W119 HydrophobicContact CB-CH2 4.19Å; A41-F121 HydrophobicContact CB-CD1 4.26Å; A41-F121 HydrophobicContact CB-CE1 3.58Å; A41-F121 HydrophobicContact CB-CZ 3.92Å
42V98.7Very high97.7Very high0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-112.5130.3167.1-176.20000108.7M1 L3 F30 L34 P39 I44 T78 L79 V80 K81M1-V42 HydrophobicContact CB-CG2 4.3Å; M1-V42 HydrophobicContact CE-CB 4.33Å; M1-V42 HydrophobicContact CE-CG1 3.9Å; M1-V42 HydrophobicContact CE-CG2 3.49Å; M1-V42 VanDerWaalsContact CE-CG2 3.49Å; M1-V42 CarbonylContact O-C 3.55Å; M1-V42 VanDerWaalsContact O-CA 3.28Å; M1-V42 WeakPolarHBondContact O-CA 3.21Å; L3-V42 HydrophobicContact CD2-CG1 3.68Å; L3-V42 HydrophobicContact CG-CG1 4.47Å; F30-V42 HydrophobicContact CE2-CG1 4Å; F30-V42 HydrophobicContact CE2-CG2 4.11Å; F30-V42 HydrophobicContact CZ-CG2 4.27Å; L34-V42 HydrophobicContact CD2-CG2 4.03Å; P39-V42 HydrophobicContact CG-CG2 4.2Å; V42-I44 HydrophobicContact CG1-CG1 4.19Å; V42-T78 HydrophobicContact CG2-CG2 3.69Å; V42-L79 PolarHBondContact N-O 2.59Å; V42-V80 HydrophobicContact CB-CG2 4.13Å; V42-V80 CarbonylContact O-C 3.59Å; V42-V80 WeakPolarHBondContact O-CA 3.26Å; V42-K81 PolarHBondContact O-N 2.63Å
43I98.7Very high97.7Very high8 Ų835 Ų354%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-113127.8172.6-62.9157.5000108.1M1 V2 L3 L45 K81 W119 L204M1-I43 PolarHBondContact O-N 3.46Å; V2-I43 CarbonylContact C-O 3.08Å; V2-I43 WeakPolarHBondContact CA-O 3.5Å; V2-I43 HydrophobicContact CG1-CB 4.17Å; V2-I43 HydrophobicContact CG1-CG2 4.25Å; V2-I43 HydrophobicContact CG2-CB 4.31Å; V2-I43 HydrophobicContact CG2-CD1 4.24Å; L3-I43 PolarHBondContact N-O 2.93Å; I43-L45 HydrophobicContact CG2-CD2 3.58Å; I43-L45 HydrophobicContact CG2-CG 4.19Å; I43-K81 CarbonylContact C-O 3.57Å; I43-K81 VanDerWaalsContact CA-O 3.29Å; I43-K81 WeakPolarHBondContact CA-O 3.15Å; I43-W119 HydrophobicContact CD1-CZ3 4.26Å; I43-W119 HydrophobicContact CG1-CZ3 4.36Å; I43-L204 HydrophobicContact CD1-CD1 3.71Å; I43-L204 HydrophobicContact CD1-CD2 4.19Å; I43-L204 HydrophobicContact CG1-CD1 4.2Å; I43-L204 HydrophobicContact CG2-CD1 3.98Å; I43-L204 HydrophobicContact CG2-CD2 4.39Å
44I98.7Very high97.5Very high0 Ų040.4 Ų40.40%019%0.19CC..EExtended strand (participates in β ladder)trans-110.6110176.2-49.6-176.1000108.9L3 V42 G46 I48 F67 F71 V80 K81 T82 V83L3-I44 HydrophobicContact CD1-CB 4.11Å; L3-I44 HydrophobicContact CD1-CD1 4.18Å; L3-I44 HydrophobicContact CD1-CG1 3.79Å; L3-I44 HydrophobicContact CD1-CG2 3.59Å; L3-I44 HydrophobicContact CD2-CG1 4.28Å; L3-I44 HydrophobicContact CG-CB 4.46Å; L3-I44 HydrophobicContact CG-CG1 3.96Å; L3-I44 HydrophobicContact CG-CG2 4.41Å; L3-I44 CarbonylContact O-C 3.54Å; L3-I44 WeakPolarHBondContact O-CA 3.34Å; V42-I44 HydrophobicContact CG1-CG1 4.19Å; I44-G46 VanDerWaalsContact C-N 3.26Å; I44-G46 PolarHBondContact O-N 2.89Å; I44-I48 HydrophobicContact CB-CD1 4.06Å; I44-I48 HydrophobicContact CB-CG1 4.48Å; I44-I48 HydrophobicContact CG2-CD1 3.67Å; I44-I48 HydrophobicContact CG2-CG1 3.56Å; I44-F67 HydrophobicContact CD1-CE2 3.89Å; I44-F67 HydrophobicContact CD1-CZ 4.29Å; I44-F71 HydrophobicContact CD1-CD1 4.36Å; I44-F71 HydrophobicContact CD1-CG 4.44Å; I44-V80 HydrophobicContact CD1-CG1 4.18Å; I44-V80 HydrophobicContact CG1-CG1 4.45Å; I44-K81 PolarHBondContact N-O 2.87Å; I44-T82 HydrophobicContact CB-CG2 4.37Å; I44-T82 HydrophobicContact CD1-CG2 4.49Å; I44-V83 PolarHBondContact O-N 2.99Å
45L98.7Very high97.4Very high0 Ų039.8 Ų39.80%019%0.188CC..EExtended strand (participates in β ladder)trans-85.650.1-169.5-60174.7000113.6V2 L3 A4 I43 V83 L204 H206 L259 S260 V285V2-L45 HydrophobicContact CG1-CD1 3.56Å; V2-L45 HydrophobicContact CG1-CD2 4.34Å; V2-L45 HydrophobicContact CG1-CG 3.78Å; L3-L45 PolarHBondContact O-N 2.63Å; A4-L45 HydrophobicContact CB-CB 3.92Å; I43-L45 HydrophobicContact CG2-CD2 3.58Å; I43-L45 HydrophobicContact CG2-CG 4.19Å; L45-V83 HydrophobicContact CD2-CG2 3.79Å; L45-L204 HydrophobicContact CD2-CB 4.08Å; L45-L204 HydrophobicContact CD2-CD2 4.33Å; L45-H206 PolarHBondContact O-ND1 3.48Å; L45-L259 HydrophobicContact CD1-CB 3.87Å; L45-S260 WeakPolarHBondContact CD1-O 3.46Å; L45-V285 HydrophobicContact CD1-CB 4.22Å; L45-V285 HydrophobicContact CD1-CG2 3.55Å
46G98.5Very high97.2Very high0 Ų034 Ų340%017%0.173CC..SBendtrans76.6175.8174.500000115.6D5 I44 I48 V83D5-G46 PolarHBondContact N-O 3.46Å; D5-G46 VanDerWaalsContact N-O 3.09Å; I44-G46 VanDerWaalsContact C-N 3.26Å; I44-G46 PolarHBondContact O-N 2.89Å; G46-I48 PolarHBondContact O-N 3.28Å; G46-V83 WeakPolarHBondContact CA-O 3.43Å; G46-V83 PolarHBondContact N-O 3.35Å
47D98.6Very high97.1Very high1 Ų132.6 Ų32.61%0.00517%0.166CC..  trans49.850.3-168.9-78.48000110.5D5 T6 H7 G85 N86 H87 D88 H206D5-D47 CarbonylContact C-O 3.56Å; T6-D47 PolarHBondContact N-O 3Å; T6-D47 VanDerWaalsContact N-O 3.1Å; H7-D47 IonicContact CE1-OD2 2.7Å; H7-D47 PolarHBondContact CE1-OD2 2.95Å; H7-D47 VanDerWaalsContact CE1-OD2 3.31Å; H7-D47 PolarHBondContact N-O 3.04Å; H7-D47 IonicContact NE2-OD2 2.86Å; H7-D47 PolarHBondContact NE2-OD2 3.46Å; D47-G85 VanDerWaalsContact OD1-C 3.27Å; D47-G85 WeakPolarHBondContact OD1-CA 3.43Å; D47-N86 PolarHBondContact OD1-N 3.36Å; D47-N86 PolarHBondContact OD1-OD1 3.26Å; D47-N86 PolarHBondContact OD2-OD1 3.49Å; D47-H87 HydrophobicContact CB-CB 4.34Å; D47-H87 WeakPolarHBondContact OD1-CB 3.26Å; D47-H87 IonicContact OD1-CD2 2.71Å; D47-H87 PolarHBondContact OD1-N 2.99Å; D47-H87 IonicContact OD2-CD2 2.88Å; D47-H87 PolarHBondContact OD2-CD2 3.37Å; D47-H87 IonicContact OD2-CG 3.17Å; D47-D88 WeakPolarHBondContact CA-OD2 3.2Å; D47-D88 PolarHBondContact N-OD2 3.45Å; D47-H206 IonicContact OD1-CD2 2.67Å; D47-H206 IonicContact OD1-CE1 3.06Å; D47-H206 IonicContact OD1-NE2 3.09Å; D47-H206 PolarHBondContact OD1-NE2 3.34Å; D47-H206 IonicContact OD2-CE1 3.11Å; D47-H206 IonicContact OD2-NE2 2.73Å; D47-H206 PolarHBondContact OD2-NE2 3Å
48I98.4Very high97Very high0 Ų035.1 Ų35.10%018%0.182CC..  trans-69.1-49.3176.5-58.4-173.3000108.2T6 H7 L8 I44 G46 F67 T82 D88 F103 V107T6-I48 VanDerWaalsContact OG1-CA 3.24Å; T6-I48 WeakPolarHBondContact OG1-CA 3.24Å; T6-I48 PolarHBondContact OG1-O 3.19Å; H7-I48 PolarHBondContact N-O 3.4Å; L8-I48 VanDerWaalsContact CD1-O 3.31Å; L8-I48 WeakPolarHBondContact CD1-O 3.27Å; L8-I48 PolarHBondContact N-O 3.43Å; I44-I48 HydrophobicContact CB-CD1 4.06Å; I44-I48 HydrophobicContact CB-CG1 4.48Å; I44-I48 HydrophobicContact CG2-CD1 3.67Å; I44-I48 HydrophobicContact CG2-CG1 3.56Å; G46-I48 PolarHBondContact O-N 3.28Å; I48-F67 HydrophobicContact CD1-CE2 4.24Å; I48-F67 HydrophobicContact CG2-CD2 3.34Å; I48-F67 HydrophobicContact CG2-CE2 3.56Å; I48-F67 HydrophobicContact CG2-CG 4.25Å; I48-T82 HydrophobicContact CD1-CG2 3.59Å; I48-D88 PolarHBondContact N-OD1 3.22Å; I48-D88 PolarHBondContact N-OD2 3.03Å; I48-F103 HydrophobicContact CD1-CE2 4.46Å; I48-F103 HydrophobicContact CD1-CZ 4.17Å; I48-V107 HydrophobicContact CD1-CG1 3.68Å; I48-V107 HydrophobicContact CG2-CG1 4.47Å
49L97.6Very high96.9Very high0 Ų031.7 Ų31.70%016%0.164CC..BIsolated β-bridgetrans-99.5140.8177.9-49-176.2000109.2L8 F60 L63 H87 D88 V107L8-L49 HydrophobicContact CB-CD2 4.23Å; L8-L49 HydrophobicContact CD2-CD2 4.39Å; L49-F60 HydrophobicContact CD1-CD2 4.01Å; L49-F60 HydrophobicContact CD1-CE2 3.57Å; L49-F60 HydrophobicContact CD1-CZ 4.35Å; L49-L63 HydrophobicContact CD1-CB 4.43Å; L49-L63 HydrophobicContact CD2-CB 4Å; L49-H87 CarbonylContact O-C 3.59Å; L49-H87 WeakPolarHBondContact O-CB 3.33Å; L49-D88 PolarHBondContact N-OD1 3.34Å; L49-V107 HydrophobicContact CD1-CG2 4.49Å
50D95.6Very high96.9Very high5 Ų531.4 Ų31.43%0.02716%0.162CC..SBendtrans-83.8-30.9175.7-169.726.9000112.1H7 L8 H87 R291H7-D50 HydrophobicContact CB-CB 4.15Å; H7-D50 IonicContact CE1-OD1 3.84Å; H7-D50 IonicContact ND1-OD1 3.06Å; H7-D50 PolarHBondContact ND1-OD1 3.49Å; H7-D50 VanDerWaalsContact ND1-OD1 3.13Å; L8-D50 PolarHBondContact O-N 3.46Å; D50-H87 PolarHBondContact O-ND1 3Å; D50-H87 IonicContact OD1-CE1 3.27Å; D50-H87 PolarHBondContact OD1-CE1 3.39Å; D50-H87 VanDerWaalsContact OD1-CE1 3.3Å; D50-H87 IonicContact OD1-ND1 3.34Å; D50-H87 PolarHBondContact OD1-ND1 3.37Å; D50-R291 IonicContact OD2-CZ 3.95Å; D50-R291 IonicContact OD2-NE 2.72Å; D50-R291 PolarHBondContact OD2-NE 3.45Å; D50-R291 IonicContact OD2-NH2 3.13Å; D50-R291 PolarHBondContact OD2-NH2 3.26Å
51E95.3Very high96.8Very high2 Ų229.6 Ų29.61%0.00915%0.152CC..SBendtrans-114.88.6-173.5-63173.9-152.200113.1G10 Y11 V12 L13 K53 W54 A55G10-E51 WeakPolarHBondContact CA-OE1 3.28Å; G10-E51 VanDerWaalsContact CA-OE2 3.27Å; G10-E51 WeakPolarHBondContact CA-OE2 3.43Å; G10-E51 PolarHBondContact N-OE1 2.97Å; G10-E51 VanDerWaalsContact N-OE1 3.12Å; Y11-E51 PolarHBondContact N-OE2 3.43Å; V12-E51 PolarHBondContact N-OE1 2.98Å; V12-E51 PolarHBondContact N-OE2 2.78Å; V12-E51 VanDerWaalsContact N-OE2 3.1Å; L13-E51 VanDerWaalsContact CB-OE1 3.3Å; L13-E51 WeakPolarHBondContact CB-OE1 3.37Å; L13-E51 HydrophobicContact CD1-CG 4.11Å; L13-E51 HydrophobicContact CG-CG 4.25Å; L13-E51 PolarHBondContact N-OE1 2.99Å; E51-K53 PolarHBondContact O-N 3.46Å; E51-K53 VanDerWaalsContact O-N 3.08Å; E51-W54 HydrophobicContact CB-CZ2 4.4Å; E51-W54 HydrophobicContact CG-CZ2 3.8Å; E51-W54 PolarHBondContact O-N 2.88Å; E51-A55 WeakPolarHBondContact O-CB 3.4Å; E51-A55 PolarHBondContact O-N 3.09Å
52G96.5Very high96.6Very high0 Ų032.6 Ų32.60%016%0.161CC..THydrogen-bonded Turntrans-54.4-32.9-176.700000114W54 H87 D88 R102G52-W54 VanDerWaalsContact C-N 3.25Å; G52-W54 PolarHBondContact O-N 3.09Å; G52-H87 CarbonylContact C-O 3.51Å; G52-H87 WeakPolarHBondContact CA-O 3.4Å; G52-H87 PolarHBondContact N-O 2.79Å; G52-H87 VanDerWaalsContact N-O 3.09Å; G52-D88 CarbonylContact C-O 3.49Å; G52-D88 WeakPolarHBondContact CA-O 3.38Å; G52-R102 PolarHBondContact O-NH2 2.8Å
53K96.1Very high96.5Very high56 Ų5632.6 Ų32.624%0.24316%0.162CC..THydrogen-bonded Turntrans-67.4-14.7179.764.3-170.8165-143.90115.8E51 N86 H87 D88 G90E51-K53 PolarHBondContact O-N 3.46Å; E51-K53 VanDerWaalsContact O-N 3.08Å; K53-N86 WeakPolarHBondContact CD-O 3.41Å; K53-H87 PolarHBondContact N-O 2.88Å; K53-H87 PolarHBondContact NZ-CE1 3.31Å; K53-H87 VanDerWaalsContact NZ-CE1 3.28Å; K53-H87 PolarHBondContact NZ-ND1 2.85Å; K53-H87 PolarHBondContact NZ-NE2 2.86Å; K53-D88 PolarHBondContact N-O 3.16Å; K53-G90 VanDerWaalsContact CB-CA 3.43Å
54W95Very high96.4Very high120 Ų12032.4 Ų32.446%0.45516%0.16SC..THydrogen-bonded Turntrans-148.1-3.5-171.359-57.1000114.3V12 L13 E51 G52V12-W54 HydrophobicContact CB-CH2 3.34Å; V12-W54 HydrophobicContact CB-CZ2 4.13Å; V12-W54 HydrophobicContact CB-CZ3 3.81Å; V12-W54 HydrophobicContact CG1-CH2 3.31Å; V12-W54 HydrophobicContact CG1-CZ2 4.44Å; V12-W54 HydrophobicContact CG1-CZ3 3.67Å; V12-W54 HydrophobicContact CG2-CH2 3.8Å; V12-W54 HydrophobicContact CG2-CZ3 3.75Å; L13-W54 HydrophobicContact CD1-CZ2 3.92Å; L13-W54 HydrophobicContact CD2-CH2 4.24Å; L13-W54 HydrophobicContact CD2-CZ2 4.13Å; L13-W54 HydrophobicContact CG-CH2 4.25Å; L13-W54 HydrophobicContact CG-CZ2 3.79Å; E51-W54 HydrophobicContact CB-CZ2 4.4Å; E51-W54 HydrophobicContact CG-CZ2 3.8Å; E51-W54 PolarHBondContact O-N 2.88Å; G52-W54 VanDerWaalsContact C-N 3.25Å; G52-W54 PolarHBondContact O-N 3.09Å
55A94.8Very high96.3Very high8 Ų838.4 Ų38.47%0.06619%0.189CC..  trans-54.5138.8171.500000111.4E51 D59 F60 L63 R102E51-A55 WeakPolarHBondContact O-CB 3.4Å; E51-A55 PolarHBondContact O-N 3.09Å; A55-D59 HydrophobicContact CB-CB 3.95Å; A55-F60 HydrophobicContact CB-CB 4.09Å; A55-L63 HydrophobicContact CB-CD1 4.26Å; A55-R102 PolarHBondContact O-NH1 3.34Å; A55-R102 PolarHBondContact O-NH2 3.08Å
56T95.1Very high96.2Very high78 Ų7839.2 Ų39.248%0.47919%0.192SC..  trans-61.2169.3165.369.90000110D58 D59 F60T56-D58 VanDerWaalsContact C-N 3.3Å; T56-D58 PolarHBondContact O-N 3.43Å; T56-D59 PolarHBondContact O-N 3.04Å; T56-D59 WeakPolarHBondContact OG1-CB 3.38Å; T56-D59 PolarHBondContact OG1-N 3.37Å; T56-D59 PolarHBondContact OG1-OD2 3.38Å; T56-F60 WeakPolarHBondContact O-CB 3.49Å; T56-F60 PolarHBondContact O-N 3.35Å
57N95.4Very high96.1Very high92 Ų9240.1 Ų40.149%0.49220%0.195SC..Hα-helixtrans-60.9-40.8177.8-73.4-20.8000112.2F60 N61 F98N57-F60 PolarHBondContact O-N 3.36Å; N57-N61 WeakPolarHBondContact O-CB 3.42Å; N57-N61 PolarHBondContact O-N 2.73Å; N57-N61 PolarHBondContact O-ND2 2.81Å; N57-F98 WeakPolarHBondContact OD1-CZ 3.39Å
58D95.4Very high96Very high129 Ų12946 Ų4669%0.6922%0.218SC*.Hα-helixtrans-69-43.7-180-63.3-24.5000111.2T56 F60 N61 Y62T56-D58 VanDerWaalsContact C-N 3.3Å; T56-D58 PolarHBondContact O-N 3.43Å; D58-F60 VanDerWaalsContact C-N 3.32Å; D58-F60 PolarHBondContact O-N 3.05Å; D58-N61 PolarHBondContact O-N 2.84Å; D58-Y62 WeakPolarHBondContact O-CB 3.4Å; D58-Y62 PolarHBondContact O-N 2.8Å
59D95Very high96Very high39 Ų3950 Ų5021%0.20924%0.239CC..Hα-helixtrans-63.2-39.7175.6-64.9-43.9000111.8Y11 A55 T56 Y62 L63Y11-D59 VanDerWaalsContact CD2-OD1 3.26Å; Y11-D59 WeakPolarHBondContact CD2-OD1 3.37Å; A55-D59 HydrophobicContact CB-CB 3.95Å; T56-D59 PolarHBondContact O-N 3.04Å; T56-D59 WeakPolarHBondContact OG1-CB 3.38Å; T56-D59 PolarHBondContact OG1-N 3.37Å; T56-D59 PolarHBondContact OG1-OD2 3.38Å; D59-Y62 PolarHBondContact O-N 2.9Å; D59-L63 WeakPolarHBondContact O-CB 3.26Å; D59-L63 VanDerWaalsContact O-CG 3.3Å; D59-L63 WeakPolarHBondContact O-CG 3.37Å; D59-L63 PolarHBondContact O-N 2.97Å
60F96.6Very high96Very high2 Ų250.1 Ų50.11%0.00924%0.24CC..Hα-helixtrans-65.6-45.3177.3-176.9-92.6000111.2L49 A55 T56 N57 D58 Y62 L63 V64 R102 D106L49-F60 HydrophobicContact CD1-CD2 4.01Å; L49-F60 HydrophobicContact CD1-CE2 3.57Å; L49-F60 HydrophobicContact CD1-CZ 4.35Å; A55-F60 HydrophobicContact CB-CB 4.09Å; T56-F60 WeakPolarHBondContact O-CB 3.49Å; T56-F60 PolarHBondContact O-N 3.35Å; N57-F60 PolarHBondContact O-N 3.36Å; D58-F60 VanDerWaalsContact C-N 3.32Å; D58-F60 PolarHBondContact O-N 3.05Å; F60-Y62 VanDerWaalsContact C-N 3.32Å; F60-Y62 PolarHBondContact O-N 3.06Å; F60-L63 WeakPolarHBondContact O-CB 3.45Å; F60-L63 PolarHBondContact O-N 3.16Å; F60-V64 HydrophobicContact CD1-CG2 4Å; F60-V64 HydrophobicContact CE1-CG2 3.61Å; F60-V64 HydrophobicContact CZ-CG2 3.96Å; F60-V64 VanDerWaalsContact O-CG2 3.31Å; F60-V64 WeakPolarHBondContact O-CG2 3.22Å; F60-V64 PolarHBondContact O-N 2.66Å; F60-R102 HydrophobicContact CD1-CG 4.47Å; F60-R102 HydrophobicContact CE1-CB 4.04Å; F60-R102 HydrophobicContact CE1-CG 4.02Å; F60-R102 HydrophobicContact CE2-CG 4.06Å; F60-R102 HydrophobicContact CZ-CB 4.23Å; F60-R102 HydrophobicContact CZ-CG 3.81Å; F60-D106 HydrophobicContact CE1-CB 3.97Å
61N96.2Very high96.1Very high69 Ų6950.1 Ų50.137%0.36924%0.239SC..Hα-helixtrans-60.4-42.8176.1-71.1-21.6000111.4N57 D58 L63 V64 E65N57-N61 WeakPolarHBondContact O-CB 3.42Å; N57-N61 PolarHBondContact O-N 2.73Å; N57-N61 PolarHBondContact O-ND2 2.81Å; D58-N61 PolarHBondContact O-N 2.84Å; N61-L63 PolarHBondContact O-N 3.25Å; N61-V64 WeakPolarHBondContact O-CB 3.45Å; N61-V64 PolarHBondContact O-N 2.8Å; N61-E65 WeakPolarHBondContact O-CG 3.27Å; N61-E65 PolarHBondContact O-N 3.02Å
62Y94.8Very high96.2Very high75 Ų7553.8 Ų53.829%0.29426%0.257SS..Hα-helixtrans-62-41.2175178.3-105.8000112.8Y11 D58 D59 F60 V64 E65 R66Y11-Y62 HydrophobicContact CD2-CD1 4.29Å; Y11-Y62 AromaticContact CE2-CD1 3.34Å; Y11-Y62 HydrophobicContact CE2-CD1 3.34Å; Y11-Y62 AromaticContact CE2-CE1 3.6Å; Y11-Y62 HydrophobicContact CE2-CE1 3.6Å; Y11-Y62 AromaticContact CE2-CG 3.99Å; Y11-Y62 HydrophobicContact CE2-CG 3.99Å; Y11-Y62 AromaticContact CZ-CD1 3.82Å; Y11-Y62 AromaticContact CZ-CE1 3.62Å; Y11-Y62 WeakPolarHBondContact OH-CE1 3.23Å; D58-Y62 WeakPolarHBondContact O-CB 3.4Å; D58-Y62 PolarHBondContact O-N 2.8Å; D59-Y62 PolarHBondContact O-N 2.9Å; F60-Y62 VanDerWaalsContact C-N 3.32Å; F60-Y62 PolarHBondContact O-N 3.06Å; Y62-V64 VanDerWaalsContact C-N 3.33Å; Y62-E65 PolarHBondContact O-N 2.93Å; Y62-R66 HydrophobicContact CE1-CG 4.46Å; Y62-R66 VanDerWaalsContact CZ-CD 3.49Å; Y62-R66 WeakPolarHBondContact O-CG 3.34Å; Y62-R66 PolarHBondContact O-N 2.88Å; Y62-R66 VanDerWaalsContact O-N 3.13Å
63L95.8Very high96.2Very high1 Ų156.2 Ų56.21%0.00527%0.268CS..Hα-helixtrans-61.8-40.7173.5-78.4169.7000112L8 L49 A55 D59 F60 N61 R66 F67L8-L63 HydrophobicContact CB-CD2 4.11Å; L8-L63 WeakPolarHBondContact O-CD2 3.15Å; L49-L63 HydrophobicContact CD1-CB 4.43Å; L49-L63 HydrophobicContact CD2-CB 4Å; A55-L63 HydrophobicContact CB-CD1 4.26Å; D59-L63 WeakPolarHBondContact O-CB 3.26Å; D59-L63 VanDerWaalsContact O-CG 3.3Å; D59-L63 WeakPolarHBondContact O-CG 3.37Å; D59-L63 PolarHBondContact O-N 2.97Å; F60-L63 WeakPolarHBondContact O-CB 3.45Å; F60-L63 PolarHBondContact O-N 3.16Å; N61-L63 PolarHBondContact O-N 3.25Å; L63-R66 PolarHBondContact O-N 3.32Å; L63-F67 WeakPolarHBondContact O-CB 3.29Å; L63-F67 PolarHBondContact O-N 3.23Å
64V96.4Very high96.2Very high3 Ų356.7 Ų56.72%0.01827%0.273CS..Hα-helixtrans-65.7-42.9177167.70000111.7F60 N61 Y62 R66 F67 R68 D106 V107F60-V64 HydrophobicContact CD1-CG2 4Å; F60-V64 HydrophobicContact CE1-CG2 3.61Å; F60-V64 HydrophobicContact CZ-CG2 3.96Å; F60-V64 VanDerWaalsContact O-CG2 3.31Å; F60-V64 WeakPolarHBondContact O-CG2 3.22Å; F60-V64 PolarHBondContact O-N 2.66Å; N61-V64 WeakPolarHBondContact O-CB 3.45Å; N61-V64 PolarHBondContact O-N 2.8Å; Y62-V64 VanDerWaalsContact C-N 3.33Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.07Å; V64-F67 WeakPolarHBondContact O-CB 3.39Å; V64-F67 PolarHBondContact O-N 3.02Å; V64-R68 WeakPolarHBondContact O-CG 3.42Å; V64-R68 PolarHBondContact O-N 3.39Å; V64-D106 HydrophobicContact CG1-CB 3.99Å; V64-D106 HydrophobicContact CG2-CB 3.79Å; V64-V107 HydrophobicContact CG2-CG2 4Å
65E96.6Very high96.1Very high126 Ų12658.1 Ų58.159%0.58928%0.282SS*.Hα-helixtrans-59.9-43.6175.9-74.4178.4-179.900111.4N61 Y62 R68 D69N61-E65 WeakPolarHBondContact O-CG 3.27Å; N61-E65 PolarHBondContact O-N 3.02Å; Y62-E65 PolarHBondContact O-N 2.93Å; E65-R68 PolarHBondContact O-N 3.02Å; E65-D69 PolarHBondContact O-N 2.94Å
66R96.2Very high96.1Very high18 Ų1863.7 Ų63.77%0.06832%0.316CS..Hα-helixtrans-64.5-41.5174.9-74.3171.754.8-139.4-4.6112.5L8 V9 D23 Y62 L63 V64 R68 D69 I70L8-R66 HydrophobicContact CD2-CB 4.17Å; V9-R66 PolarHBondContact O-NH1 3.28Å; V9-R66 PolarHBondContact O-NH2 2.68Å; D23-R66 IonicContact OD1-CZ 3.96Å; D23-R66 IonicContact OD1-NE 3.55Å; D23-R66 IonicContact OD1-NH2 3.53Å; D23-R66 PolarHBondContact OD1-NH2 3.27Å; D23-R66 IonicContact OD2-CZ 2.62Å; D23-R66 IonicContact OD2-NE 3.57Å; D23-R66 PolarHBondContact OD2-NE 2.91Å; D23-R66 IonicContact OD2-NH2 3.31Å; D23-R66 PolarHBondContact OD2-NH2 3.33Å; Y62-R66 HydrophobicContact CE1-CG 4.46Å; Y62-R66 VanDerWaalsContact CZ-CD 3.49Å; Y62-R66 WeakPolarHBondContact O-CG 3.34Å; Y62-R66 PolarHBondContact O-N 2.88Å; Y62-R66 VanDerWaalsContact O-N 3.13Å; L63-R66 PolarHBondContact O-N 3.32Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.07Å; R66-R68 VanDerWaalsContact C-N 3.34Å; R66-R68 PolarHBondContact O-N 2.77Å; R66-D69 PolarHBondContact O-N 3.35Å; R66-I70 WeakPolarHBondContact O-CB 3.36Å; R66-I70 WeakPolarHBondContact O-CD1 3.35Å; R66-I70 VanDerWaalsContact O-CG1 3.23Å; R66-I70 WeakPolarHBondContact O-CG1 3.37Å; R66-I70 PolarHBondContact O-N 3.46Å
67F97.3Very high96.1Very high18 Ų1866.6 Ų66.68%0.07932%0.322CS..Hα-helixtrans-56.1-49.5173.2168.8-104.6000111L8 I44 I48 L63 V64 D69 I70 F71 T82 V107L8-F67 HydrophobicContact CD2-CB 3.84Å; I44-F67 HydrophobicContact CD1-CE2 3.89Å; I44-F67 HydrophobicContact CD1-CZ 4.29Å; I48-F67 HydrophobicContact CD1-CE2 4.24Å; I48-F67 HydrophobicContact CG2-CD2 3.34Å; I48-F67 HydrophobicContact CG2-CE2 3.56Å; I48-F67 HydrophobicContact CG2-CG 4.25Å; L63-F67 WeakPolarHBondContact O-CB 3.29Å; L63-F67 PolarHBondContact O-N 3.23Å; V64-F67 WeakPolarHBondContact O-CB 3.39Å; V64-F67 PolarHBondContact O-N 3.02Å; F67-D69 VanDerWaalsContact C-N 3.34Å; F67-D69 PolarHBondContact O-N 3.48Å; F67-I70 PolarHBondContact O-N 2.78Å; F67-F71 AromaticContact CD2-CD2 3.31Å; F67-F71 HydrophobicContact CD2-CD2 3.31Å; F67-F71 AromaticContact CD2-CE2 3.78Å; F67-F71 HydrophobicContact CD2-CE2 3.78Å; F67-F71 HydrophobicContact CD2-CG 4.31Å; F67-F71 HydrophobicContact CE2-CB 4.35Å; F67-F71 AromaticContact CE2-CD2 3.48Å; F67-F71 HydrophobicContact CE2-CD2 3.48Å; F67-F71 VanDerWaalsContact CE2-CD2 3.48Å; F67-F71 HydrophobicContact CE2-CE2 4.07Å; F67-F71 HydrophobicContact CE2-CG 4.11Å; F67-F71 HydrophobicContact CG-CD2 4.25Å; F67-F71 WeakPolarHBondContact O-CD2 3.49Å; F67-F71 PolarHBondContact O-N 3.09Å; F67-T82 HydrophobicContact CZ-CG2 4.21Å; F67-V107 HydrophobicContact CD1-CG1 4.26Å; F67-V107 HydrophobicContact CE1-CG1 3.88Å; F67-V107 HydrophobicContact CE2-CG1 4.41Å; F67-V107 HydrophobicContact CZ-CG1 3.97Å
68R96.8Very high96.2Very high125 Ų12562.7 Ų62.747%0.47230%0.301SS..Hα-helixtrans-63-37.6179-69.7171.8-179.3159.92.9112.5V64 E65 R66 H72 D106V64-R68 WeakPolarHBondContact O-CG 3.42Å; V64-R68 PolarHBondContact O-N 3.39Å; E65-R68 PolarHBondContact O-N 3.02Å; R66-R68 VanDerWaalsContact C-N 3.34Å; R66-R68 PolarHBondContact O-N 2.77Å; R68-H72 WeakPolarHBondContact O-CA 3.34Å; R68-H72 WeakPolarHBondContact O-CB 3.29Å; R68-H72 PolarHBondContact O-N 3.11Å; R68-H72 VanDerWaalsContact O-N 3.09Å; R68-D106 PolarHBondContact NH2-O 3.24Å
69D97.6Very high96.2Very high84 Ų8459.7 Ų59.745%0.44929%0.285SS..Hα-helixtrans-71.8-41176.6179.361.3000113.2K27 E65 R66 F67 H72K27-D69 WeakPolarHBondContact CE-O 3.39Å; K27-D69 IonicContact NZ-OD1 3.85Å; K27-D69 PolarHBondContact NZ-OD1 3.15Å; K27-D69 IonicContact NZ-OD2 3.33Å; K27-D69 PolarHBondContact NZ-OD2 3.08Å; E65-D69 PolarHBondContact O-N 2.94Å; R66-D69 PolarHBondContact O-N 3.35Å; F67-D69 VanDerWaalsContact C-N 3.34Å; F67-D69 PolarHBondContact O-N 3.48Å; D69-H72 PolarHBondContact O-ND1 3.29Å
70I97.8Very high96.3Very high2 Ų258.8 Ų58.81%0.0128%0.281CS..Hα-helixtrans-69.3-46.7-179.8-70.4166.3000110.4L8 D23 M26 K27 R66 F67L8-I70 HydrophobicContact CD1-CD1 4.49Å; L8-I70 HydrophobicContact CD2-CD1 4.06Å; L8-I70 HydrophobicContact CG-CD1 4.18Å; D23-I70 HydrophobicContact CB-CD1 3.8Å; D23-I70 HydrophobicContact CB-CG1 4.37Å; M26-I70 HydrophobicContact CB-CG2 3.71Å; M26-I70 HydrophobicContact CE-CD1 4.28Å; K27-I70 HydrophobicContact CB-CG1 4.38Å; K27-I70 HydrophobicContact CB-CG2 4.33Å; R66-I70 WeakPolarHBondContact O-CB 3.36Å; R66-I70 WeakPolarHBondContact O-CD1 3.35Å; R66-I70 VanDerWaalsContact O-CG1 3.23Å; R66-I70 WeakPolarHBondContact O-CG1 3.37Å; R66-I70 PolarHBondContact O-N 3.46Å; F67-I70 PolarHBondContact O-N 2.78Å
71F97.6Very high96.3Very high5 Ų560.4 Ų60.42%0.02229%0.288CS..THydrogen-bonded Turntrans-10024.7-174.9-57.6-76.1000113.3L3 T6 L8 F30 I44 F67 H73 F288L3-F71 HydrophobicContact CD1-CE1 4.37Å; T6-F71 HydrophobicContact CG2-CE1 4.27Å; T6-F71 HydrophobicContact CG2-CE2 4.37Å; T6-F71 HydrophobicContact CG2-CZ 3.55Å; L8-F71 HydrophobicContact CD1-CE2 4.04Å; F30-F71 HydrophobicContact CB-CD1 4.28Å; F30-F71 HydrophobicContact CB-CE1 4.44Å; F30-F71 HydrophobicContact CD1-CB 4.33Å; F30-F71 AromaticContact CD1-CD1 3.99Å; F30-F71 HydrophobicContact CD1-CD1 3.99Å; F30-F71 AromaticContact CD2-CD1 3.62Å; F30-F71 HydrophobicContact CD2-CD1 3.62Å; F30-F71 HydrophobicContact CD2-CE1 4.07Å; F30-F71 HydrophobicContact CE1-CB 4.01Å; F30-F71 HydrophobicContact CE1-CD1 4.18Å; F30-F71 WeakPolarHBondContact CE1-O 3.45Å; F30-F71 AromaticContact CE2-CD1 3.84Å; F30-F71 HydrophobicContact CE2-CD1 3.84Å; F30-F71 AromaticContact CG-CD1 3.69Å; F30-F71 HydrophobicContact CG-CD1 3.69Å; F30-F71 HydrophobicContact CG-CE1 4.24Å; F30-F71 HydrophobicContact CZ-CB 4.26Å; F30-F71 HydrophobicContact CZ-CD1 4.11Å; I44-F71 HydrophobicContact CD1-CD1 4.36Å; I44-F71 HydrophobicContact CD1-CG 4.44Å; F67-F71 AromaticContact CD2-CD2 3.31Å; F67-F71 HydrophobicContact CD2-CD2 3.31Å; F67-F71 AromaticContact CD2-CE2 3.78Å; F67-F71 HydrophobicContact CD2-CE2 3.78Å; F67-F71 HydrophobicContact CD2-CG 4.31Å; F67-F71 HydrophobicContact CE2-CB 4.35Å; F67-F71 AromaticContact CE2-CD2 3.48Å; F67-F71 HydrophobicContact CE2-CD2 3.48Å; F67-F71 VanDerWaalsContact CE2-CD2 3.48Å; F67-F71 HydrophobicContact CE2-CE2 4.07Å; F67-F71 HydrophobicContact CE2-CG 4.11Å; F67-F71 HydrophobicContact CG-CD2 4.25Å; F67-F71 WeakPolarHBondContact O-CD2 3.49Å; F67-F71 PolarHBondContact O-N 3.09Å; F71-H73 PolarHBondContact O-N 3.48Å; F71-H73 PolarHBondContact O-ND1 3.27Å; F71-F288 HydrophobicContact CE1-CE1 4.47Å
72H97.1Very high96.4Very high80 Ų8057.8 Ų57.837%0.3727%0.274SS..  trans-56.3139.5174.470-83.9000111.1Q31 R68 D69Q31-H72 PolarHBondContact NE2-CE1 2.99Å; Q31-H72 PolarHBondContact NE2-ND1 3.21Å; Q31-H72 PolarHBondContact NE2-NE2 2.95Å; Q31-H72 PolarHBondContact NE2-O 3.35Å; Q31-H72 PolarHBondContact OE1-NE2 3.31Å; R68-H72 WeakPolarHBondContact O-CA 3.34Å; R68-H72 WeakPolarHBondContact O-CB 3.29Å; R68-H72 PolarHBondContact O-N 3.11Å; R68-H72 VanDerWaalsContact O-N 3.09Å; D69-H72 PolarHBondContact O-ND1 3.29Å
73H96.4Very high96.5Very high50 Ų5054.3 Ų54.323%0.23126%0.261CS..  trans-157.8161.1-176.858.1-79.3000110.4L34 F71 K75 T78 V80L34-H73 HydrophobicContact CD1-CB 3.81Å; F71-H73 PolarHBondContact O-N 3.48Å; F71-H73 PolarHBondContact O-ND1 3.27Å; H73-K75 PolarHBondContact O-N 2.98Å; H73-T78 PolarHBondContact CD2-O 2.79Å; H73-T78 VanDerWaalsContact CD2-O 3.24Å; H73-V80 WeakPolarHBondContact CE1-CG2 3.29Å; H73-V80 WeakPolarHBondContact NE2-CG2 3.35Å
74D96.6Very high96.6Very high67 Ų6754.5 Ų54.536%0.35826%0.262SS..  trans-77.3100.9170.9-176.2-11000109.2T76 K77 T78D74-T76 VanDerWaalsContact CG-OG1 3.31Å; D74-T76 PolarHBondContact O-N 2.95Å; D74-T76 WeakPolarHBondContact OD1-CB 3.33Å; D74-T76 PolarHBondContact OD1-N 2.8Å; D74-T76 PolarHBondContact OD1-OG1 3.31Å; D74-T76 PolarHBondContact OD2-OG1 2.78Å; D74-K77 HydrophobicContact CB-CB 4.34Å; D74-K77 HydrophobicContact CB-CD 4.23Å; D74-K77 HydrophobicContact CB-CG 4.38Å; D74-K77 PolarHBondContact O-N 3.02Å; D74-K77 VanDerWaalsContact OD2-CD 3.22Å; D74-K77 WeakPolarHBondContact OD2-CD 3.48Å; D74-K77 WeakPolarHBondContact OD2-CE 3.17Å; D74-K77 IonicContact OD2-NZ 3.68Å; D74-K77 PolarHBondContact OD2-NZ 2.84Å; D74-K77 VanDerWaalsContact OD2-NZ 3.09Å; D74-T78 PolarHBondContact O-N 3.23Å
75K93.5Very high96.7Very high149 Ų14954.3 Ų54.365%0.64826%0.261SS*.THydrogen-bonded Turntrans-58.6-17.8-179.5-67.6-170.2175.3-160.60113.4H73H73-K75 PolarHBondContact O-N 2.98Å
76T94.4Very high96.8Very high126 Ų12648.4 Ų48.477%0.77323%0.233SC*.THydrogen-bonded Turntrans-80.1-18.8176.372.50000113.1D74D74-T76 VanDerWaalsContact CG-OG1 3.31Å; D74-T76 PolarHBondContact O-N 2.95Å; D74-T76 WeakPolarHBondContact OD1-CB 3.33Å; D74-T76 PolarHBondContact OD1-N 2.8Å; D74-T76 PolarHBondContact OD1-OG1 3.31Å; D74-T76 PolarHBondContact OD2-OG1 2.78Å
77K95Very high96.9Very high139 Ų13949.4 Ų49.460%0.60424%0.239SC*.THydrogen-bonded Turntrans-108.8-36.2-176.3-66.7179.1-174.5153.20113.4D74D74-K77 HydrophobicContact CB-CB 4.34Å; D74-K77 HydrophobicContact CB-CD 4.23Å; D74-K77 HydrophobicContact CB-CG 4.38Å; D74-K77 PolarHBondContact O-N 3.02Å; D74-K77 VanDerWaalsContact OD2-CD 3.22Å; D74-K77 WeakPolarHBondContact OD2-CD 3.48Å; D74-K77 WeakPolarHBondContact OD2-CE 3.17Å; D74-K77 IonicContact OD2-NZ 3.68Å; D74-K77 PolarHBondContact OD2-NZ 2.84Å; D74-K77 VanDerWaalsContact OD2-NZ 3.09Å
78T96.7Very high97Very high9 Ų948.5 Ų48.56%0.05524%0.235CC..  trans-133.1123.3-173.1-59.80000109.8L34 P39 V42 H73 D74L34-T78 HydrophobicContact CD2-CG2 4.25Å; P39-T78 HydrophobicContact CG-CG2 4.44Å; P39-T78 WeakPolarHBondContact O-CG2 3.41Å; P39-T78 PolarHBondContact O-OG1 2.89Å; V42-T78 HydrophobicContact CG2-CG2 3.69Å; H73-T78 PolarHBondContact CD2-O 2.79Å; H73-T78 VanDerWaalsContact CD2-O 3.24Å; D74-T78 PolarHBondContact O-N 3.23Å
79L96.3Very high97Very high66 Ų6642.6 Ų42.635%0.34621%0.212SC..EExtended strand (participates in β ladder)trans-82.7138.1170.3-174.267.3000110N40 A41 V42 K81 W119 F121N40-L79 PolarHBondContact O-N 2.91Å; N40-L79 VanDerWaalsContact O-N 3.12Å; A41-L79 CarbonylContact C-O 3.19Å; A41-L79 WeakPolarHBondContact CA-O 3.45Å; A41-L79 HydrophobicContact CB-CB 4.34Å; V42-L79 PolarHBondContact N-O 2.59Å; L79-K81 HydrophobicContact CD2-CD 4.45Å; L79-K81 HydrophobicContact CD2-CG 4.09Å; L79-K81 HydrophobicContact CG-CG 4.4Å; L79-W119 HydrophobicContact CD2-CH2 4.3Å; L79-W119 HydrophobicContact CD2-CZ2 3.37Å; L79-F121 HydrophobicContact CB-CE2 4.43Å; L79-F121 HydrophobicContact CD2-CD2 4.25Å; L79-F121 HydrophobicContact CD2-CE2 4.1Å
80V96.8Very high97.1Very high21 Ų2138.6 Ų38.613%0.12719%0.191CC..EExtended strand (participates in β ladder)trans-108.7128168.2179.20000108.9V42 I44 H73 T82V42-V80 HydrophobicContact CB-CG2 4.13Å; V42-V80 CarbonylContact O-C 3.59Å; V42-V80 WeakPolarHBondContact O-CA 3.26Å; I44-V80 HydrophobicContact CD1-CG1 4.18Å; I44-V80 HydrophobicContact CG1-CG1 4.45Å; H73-V80 WeakPolarHBondContact CE1-CG2 3.29Å; H73-V80 WeakPolarHBondContact NE2-CG2 3.35Å; V80-T82 HydrophobicContact CG1-CG2 4.39Å
81K96.4Very high97.1Very high35 Ų3540.3 Ų40.315%0.15220%0.199CC..EExtended strand (participates in β ladder)trans-118.5136170.3-73-69.5-1681740109.1V42 I43 I44 L79 W119 I128 D187V42-K81 PolarHBondContact O-N 2.63Å; I43-K81 CarbonylContact C-O 3.57Å; I43-K81 VanDerWaalsContact CA-O 3.29Å; I43-K81 WeakPolarHBondContact CA-O 3.15Å; I44-K81 PolarHBondContact N-O 2.87Å; L79-K81 HydrophobicContact CD2-CD 4.45Å; L79-K81 HydrophobicContact CD2-CG 4.09Å; L79-K81 HydrophobicContact CG-CG 4.4Å; K81-W119 HydrophobicContact CB-CZ3 4.46Å; K81-W119 HydrophobicContact CD-CD2 4.4Å; K81-W119 HydrophobicContact CG-CD2 4.12Å; K81-W119 HydrophobicContact CG-CE3 4.06Å; K81-W119 HydrophobicContact CG-CH2 3.93Å; K81-W119 HydrophobicContact CG-CZ2 3.96Å; K81-W119 HydrophobicContact CG-CZ3 3.97Å; K81-I128 HydrophobicContact CB-CD1 4.35Å; K81-D187 IonicContact NZ-OD2 2.88Å; K81-D187 PolarHBondContact NZ-OD2 3.32Å
82T97.6Very high97.1Very high15 Ų1541.6 Ų41.69%0.09220%0.204CC..EExtended strand (participates in β ladder)trans-114.4140.8179.658.30000110.2I44 I48 F67 V80 V107 G108I44-T82 HydrophobicContact CB-CG2 4.37Å; I44-T82 HydrophobicContact CD1-CG2 4.49Å; I48-T82 HydrophobicContact CD1-CG2 3.59Å; F67-T82 HydrophobicContact CZ-CG2 4.21Å; V80-T82 HydrophobicContact CG1-CG2 4.39Å; T82-V107 HydrophobicContact CG2-CG1 4.19Å; T82-G108 WeakPolarHBondContact OG1-CA 3.39Å
83V98.2Very high97Very high2 Ų246.7 Ų46.71%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-102.9146.2164.4-173.90000106.9I44 L45 G46 I128 L204 H206I44-V83 PolarHBondContact O-N 2.99Å; L45-V83 HydrophobicContact CD2-CG2 3.79Å; G46-V83 WeakPolarHBondContact CA-O 3.43Å; G46-V83 PolarHBondContact N-O 3.35Å; V83-I128 HydrophobicContact CG2-CG2 4.04Å; V83-L204 HydrophobicContact CG2-CB 4.11Å; V83-H206 HydrophobicContact CG1-CB 4.43Å
84V98.1Very high97Very high4 Ų446.7 Ų46.72%0.02423%0.231CC..  trans-85139176.1700000111.3D88 I89 F103 N130 H206V84-D88 HydrophobicContact CG2-CB 3.82Å; V84-I89 HydrophobicContact CG1-CD1 4.07Å; V84-I89 HydrophobicContact CG2-CB 4.09Å; V84-I89 HydrophobicContact CG2-CD1 3.66Å; V84-I89 HydrophobicContact CG2-CG1 3.63Å; V84-I89 HydrophobicContact CG2-CG2 3.41Å; V84-I89 VanDerWaalsContact CG2-CG2 3.41Å; V84-F103 HydrophobicContact CB-CD1 3.82Å; V84-F103 HydrophobicContact CB-CE1 3.48Å; V84-F103 VanDerWaalsContact CB-CE1 3.48Å; V84-F103 HydrophobicContact CB-CZ 4.06Å; V84-F103 HydrophobicContact CG2-CD1 3.54Å; V84-F103 HydrophobicContact CG2-CD2 4.37Å; V84-F103 HydrophobicContact CG2-CE1 3.6Å; V84-F103 HydrophobicContact CG2-CE2 4.39Å; V84-F103 HydrophobicContact CG2-CG 3.94Å; V84-F103 HydrophobicContact CG2-CZ 4.02Å; V84-N130 HydrophobicContact CG1-CB 3.73Å; V84-N130 WeakPolarHBondContact CG1-OD1 3.36Å; V84-H206 VanDerWaalsContact O-CB 3.31Å; V84-H206 WeakPolarHBondContact O-CB 3.13Å
85G98.5Very high97Very high0 Ų044.7 Ų44.70%022%0.221CC..  trans-112.7178.1173.200000113.9D47 D88 I89 H206D47-G85 VanDerWaalsContact OD1-C 3.27Å; D47-G85 WeakPolarHBondContact OD1-CA 3.43Å; G85-D88 WeakPolarHBondContact CA-OD2 3.2Å; G85-D88 PolarHBondContact N-OD2 3.47Å; G85-D88 WeakPolarHBondContact O-CB 3.45Å; G85-D88 PolarHBondContact O-N 3.1Å; G85-I89 PolarHBondContact O-N 3.4Å; G85-H206 WeakPolarHBondContact CA-CD2 3.28Å; G85-H206 VanDerWaalsContact CA-CG 3.49Å
86N98.5Very high97.2Very high1 Ų141.2 Ų41.21%0.00521%0.21CC..Hα-helixtrans-76.1-23.7-176.464.7-68.6000112.3D47 K53 D88 G90 F91 H206 F207 H262D47-N86 PolarHBondContact OD1-N 3.36Å; D47-N86 PolarHBondContact OD1-OD1 3.26Å; D47-N86 PolarHBondContact OD2-OD1 3.49Å; K53-N86 WeakPolarHBondContact CD-O 3.41Å; N86-D88 VanDerWaalsContact C-N 3.34Å; N86-G90 CarbonylContact O-C 3.58Å; N86-G90 WeakPolarHBondContact O-CA 3.43Å; N86-G90 PolarHBondContact O-N 3.22Å; N86-F91 HydrophobicContact CB-CD1 4.07Å; N86-F91 HydrophobicContact CB-CD2 4.36Å; N86-F91 HydrophobicContact CB-CE1 4.14Å; N86-F91 HydrophobicContact CB-CE2 4.43Å; N86-F91 HydrophobicContact CB-CG 4.18Å; N86-F91 HydrophobicContact CB-CZ 4.33Å; N86-F91 WeakPolarHBondContact ND2-CE2 3.37Å; N86-F91 WeakPolarHBondContact ND2-CZ 3.33Å; N86-H206 PolarHBondContact OD1-NE2 2.75Å; N86-H206 VanDerWaalsContact OD1-NE2 3.14Å; N86-F207 HydrophobicContact CB-CE1 3.87Å; N86-F207 HydrophobicContact CB-CZ 3.82Å; N86-F207 WeakPolarHBondContact OD1-CE1 3.35Å; N86-H262 PolarHBondContact OD1-CE1 3.3Å; N86-H262 PolarHBondContact OD1-ND1 2.9Å; N86-H262 VanDerWaalsContact OD1-ND1 3.13Å
87H98.1Very high97.1Very high39 Ų3941.3 Ų41.318%0.18120%0.201CC..Hα-helixtrans-76-24.4170.5-76.7-115.7000112.7H7 D47 L49 D50 G52 K53H7-H87 AromaticContact CE1-CD2 3.74Å; H7-H87 AromaticContact CE1-CE1 3.82Å; H7-H87 AromaticContact CE1-CG 3.63Å; H7-H87 AromaticContact CE1-ND1 3.69Å; H7-H87 AromaticContact CE1-NE2 3.95Å; H7-H87 AromaticContact ND1-ND1 3.8Å; D47-H87 HydrophobicContact CB-CB 4.34Å; D47-H87 WeakPolarHBondContact OD1-CB 3.26Å; D47-H87 IonicContact OD1-CD2 2.71Å; D47-H87 PolarHBondContact OD1-N 2.99Å; D47-H87 IonicContact OD2-CD2 2.88Å; D47-H87 PolarHBondContact OD2-CD2 3.37Å; D47-H87 IonicContact OD2-CG 3.17Å; L49-H87 CarbonylContact O-C 3.59Å; L49-H87 WeakPolarHBondContact O-CB 3.33Å; D50-H87 PolarHBondContact O-ND1 3Å; D50-H87 IonicContact OD1-CE1 3.27Å; D50-H87 PolarHBondContact OD1-CE1 3.39Å; D50-H87 VanDerWaalsContact OD1-CE1 3.3Å; D50-H87 IonicContact OD1-ND1 3.34Å; D50-H87 PolarHBondContact OD1-ND1 3.37Å; G52-H87 CarbonylContact C-O 3.51Å; G52-H87 WeakPolarHBondContact CA-O 3.4Å; G52-H87 PolarHBondContact N-O 2.79Å; G52-H87 VanDerWaalsContact N-O 3.09Å; K53-H87 PolarHBondContact N-O 2.88Å; K53-H87 PolarHBondContact NZ-CE1 3.31Å; K53-H87 VanDerWaalsContact NZ-CE1 3.28Å; K53-H87 PolarHBondContact NZ-ND1 2.85Å; K53-H87 PolarHBondContact NZ-NE2 2.86Å
88D98.4Very high97.1Very high0 Ų039.8 Ų39.80%020%0.195CC..Hα-helixtrans-74.5-44.6179.1-61.5-49.9000112.4D47 I48 L49 G52 K53 V84 G85 N86 F103D47-D88 WeakPolarHBondContact CA-OD2 3.2Å; D47-D88 PolarHBondContact N-OD2 3.45Å; I48-D88 PolarHBondContact N-OD1 3.22Å; I48-D88 PolarHBondContact N-OD2 3.03Å; L49-D88 PolarHBondContact N-OD1 3.34Å; G52-D88 CarbonylContact C-O 3.49Å; G52-D88 WeakPolarHBondContact CA-O 3.38Å; K53-D88 PolarHBondContact N-O 3.16Å; V84-D88 HydrophobicContact CG2-CB 3.82Å; G85-D88 WeakPolarHBondContact CA-OD2 3.2Å; G85-D88 PolarHBondContact N-OD2 3.47Å; G85-D88 WeakPolarHBondContact O-CB 3.45Å; G85-D88 PolarHBondContact O-N 3.1Å; N86-D88 VanDerWaalsContact C-N 3.34Å; D88-F103 HydrophobicContact CB-CD2 3.58Å; D88-F103 HydrophobicContact CB-CE2 3.51Å; D88-F103 HydrophobicContact CB-CG 4.35Å; D88-F103 HydrophobicContact CB-CZ 4.26Å
89I97.8Very high97.1Very high0 Ų039.9 Ų39.90%020%0.195CC..Hα-helixtrans-129.4-1-172.665.3168.2000114.9V84 G85 T95 L99 N100 F103 I132V84-I89 HydrophobicContact CG1-CD1 4.07Å; V84-I89 HydrophobicContact CG2-CB 4.09Å; V84-I89 HydrophobicContact CG2-CD1 3.66Å; V84-I89 HydrophobicContact CG2-CG1 3.63Å; V84-I89 HydrophobicContact CG2-CG2 3.41Å; V84-I89 VanDerWaalsContact CG2-CG2 3.41Å; G85-I89 PolarHBondContact O-N 3.4Å; I89-T95 VanDerWaalsContact O-CA 3.31Å; I89-T95 WeakPolarHBondContact O-CA 3.3Å; I89-T95 WeakPolarHBondContact O-CB 3.35Å; I89-T95 PolarHBondContact O-OG1 2.98Å; I89-L99 HydrophobicContact CB-CB 4.22Å; I89-L99 WeakPolarHBondContact CG2-O 3.42Å; I89-L99 VanDerWaalsContact O-CD1 3.27Å; I89-L99 WeakPolarHBondContact O-CD1 3.44Å; I89-N100 WeakPolarHBondContact CD1-OD1 3.47Å; I89-F103 HydrophobicContact CG2-CB 3.64Å; I89-F103 HydrophobicContact CG2-CG 4.04Å; I89-I132 HydrophobicContact CD1-CB 4.41Å; I89-I132 HydrophobicContact CD1-CD1 4.34Å; I89-I132 HydrophobicContact CG1-CD1 4.48Å
90G98.2Very high97Very high0 Ų037.4 Ų37.40%018%0.182CC..  trans99.4159.5-176.400000112.6K53 N86K53-G90 VanDerWaalsContact CB-CA 3.43Å; N86-G90 CarbonylContact O-C 3.58Å; N86-G90 WeakPolarHBondContact O-CA 3.43Å; N86-G90 PolarHBondContact O-N 3.22Å
91F98.1Very high97Very high39 Ų3940 Ų4017%0.17119%0.192CC..  trans-63.7166.1162.1-74.3-86000110.1N86 Y93 A94 T95 F207N86-F91 HydrophobicContact CB-CD1 4.07Å; N86-F91 HydrophobicContact CB-CD2 4.36Å; N86-F91 HydrophobicContact CB-CE1 4.14Å; N86-F91 HydrophobicContact CB-CE2 4.43Å; N86-F91 HydrophobicContact CB-CG 4.18Å; N86-F91 HydrophobicContact CB-CZ 4.33Å; N86-F91 WeakPolarHBondContact ND2-CE2 3.37Å; N86-F91 WeakPolarHBondContact ND2-CZ 3.33Å; F91-Y93 VanDerWaalsContact C-N 3.29Å; F91-Y93 HydrophobicContact CB-CD1 3.81Å; F91-Y93 HydrophobicContact CB-CE1 3.37Å; F91-Y93 HydrophobicContact CD2-CE1 4.37Å; F91-Y93 AromaticContact CG-CE1 3.94Å; F91-Y93 HydrophobicContact CG-CE1 3.94Å; F91-Y93 PolarHBondContact O-N 2.96Å; F91-A94 CarbonylContact O-C 3.43Å; F91-A94 PolarHBondContact O-N 2.74Å; F91-T95 PolarHBondContact O-N 3.16Å; F91-F207 AromaticContact CD1-CZ 3.97Å; F91-F207 HydrophobicContact CD1-CZ 3.97Å; F91-F207 AromaticContact CE1-CZ 3.81Å; F91-F207 HydrophobicContact CE1-CZ 3.81Å
92H98Very high96.9Very high31 Ų3138.7 Ų38.714%0.14419%0.186CC..THydrogen-bonded Turntrans-50.5-46.7-176.3179.483.5000113.6A94 I132 E135 D137 C139 C142H92-A94 PolarHBondContact O-N 3.37Å; H92-A94 VanDerWaalsContact O-N 3.12Å; H92-I132 VanDerWaalsContact CA-CG2 3.46Å; H92-I132 HydrophobicContact CB-CG2 3.97Å; H92-I132 PolarHBondContact ND1-O 3.06Å; H92-E135 HydrophobicContact CB-CB 4.33Å; H92-E135 HydrophobicContact CB-CG 4.36Å; H92-E135 WeakPolarHBondContact CD2-CG 3.32Å; H92-E135 WeakPolarHBondContact CE1-CB 3.35Å; H92-E135 IonicContact CG-OE2 3.05Å; H92-E135 VanDerWaalsContact ND1-CB 3.34Å; H92-E135 WeakPolarHBondContact ND1-CB 3.11Å; H92-D137 IonicContact CE1-OD1 3.72Å; H92-D137 IonicContact CE1-OD2 3.35Å; H92-D137 IonicContact NE2-OD1 2.85Å; H92-D137 IonicContact NE2-OD2 3.96Å; H92-D137 PolarHBondContact NE2-OD2 3.4Å; H92-C139 PolarHBondContact CE1-SG 2.83Å; H92-C142 VanDerWaalsContact CE1-SG 3.51Å
93Y95.7Very high96.9Very high187 Ų18738 Ų3873%0.73318%0.182SC*.THydrogen-bonded Turntrans-67.6-11.3-179.263.4-98000114.7F91F91-Y93 VanDerWaalsContact C-N 3.29Å; F91-Y93 HydrophobicContact CB-CD1 3.81Å; F91-Y93 HydrophobicContact CB-CE1 3.37Å; F91-Y93 HydrophobicContact CD2-CE1 4.37Å; F91-Y93 AromaticContact CG-CE1 3.94Å; F91-Y93 HydrophobicContact CG-CE1 3.94Å; F91-Y93 PolarHBondContact O-N 2.96Å
94A96.6Very high96.8Very high51 Ų5138.6 Ų38.642%0.42119%0.185SC..THydrogen-bonded Turntrans-121.6-13.8-17500000113.7F91 H92F91-A94 CarbonylContact O-C 3.43Å; F91-A94 PolarHBondContact O-N 2.74Å; H92-A94 PolarHBondContact O-N 3.37Å; H92-A94 VanDerWaalsContact O-N 3.12Å
95T97Very high96.6Very high24 Ų2444.5 Ų44.515%0.14721%0.207CC..  trans-74.3159.1178.7-159.10000111.5I89 F91 N100 I132 L141I89-T95 VanDerWaalsContact O-CA 3.31Å; I89-T95 WeakPolarHBondContact O-CA 3.3Å; I89-T95 WeakPolarHBondContact O-CB 3.35Å; I89-T95 PolarHBondContact O-OG1 2.98Å; F91-T95 PolarHBondContact O-N 3.16Å; T95-N100 PolarHBondContact OG1-ND2 2.8Å; T95-N100 VanDerWaalsContact OG1-ND2 3.08Å; T95-I132 HydrophobicContact CG2-CG2 3.7Å; T95-L141 HydrophobicContact CG2-CD2 4Å
96N95.7Very high96.4Very high77 Ų7745.5 Ų45.541%0.41221%0.212SC..  trans-155.1172.4175.358.858.4000110.5F98 L99 N100N96-F98 VanDerWaalsContact C-N 3.3Å; N96-F98 PolarHBondContact O-N 2.94Å; N96-F98 WeakPolarHBondContact OD1-CB 3.26Å; N96-F98 PolarHBondContact OD1-N 3.46Å; N96-F98 VanDerWaalsContact OD1-N 3.12Å; N96-L99 PolarHBondContact O-N 3.47Å; N96-L99 WeakPolarHBondContact OD1-CG 3.31Å; N96-L99 PolarHBondContact OD1-N 3.31Å; N96-N100 PolarHBondContact O-N 2.87Å; N96-N100 PolarHBondContact O-ND2 2.95Å
97E93.3Very high96.3Very high128 Ų12845.7 Ų45.760%0.59821%0.213SC*.Hα-helixtrans-56.9-41.5-178.4-175.6174.8-158.200112.7L99 N100 H101E97-L99 PolarHBondContact O-N 3.5Å; E97-N100 PolarHBondContact O-N 3.38Å; E97-H101 WeakPolarHBondContact CG-CE1 3.44Å; E97-H101 WeakPolarHBondContact O-CB 3.16Å; E97-H101 VanDerWaalsContact O-CG 3.29Å; E97-H101 PolarHBondContact O-N 3.46Å; E97-H101 IonicContact OE1-CE1 3.3Å; E97-H101 PolarHBondContact OE1-CE1 2.83Å; E97-H101 IonicContact OE1-NE2 2.65Å
98F95.4Very high95.7Very high106 Ų10644.8 Ų44.847%0.46521%0.214SC..Hα-helixtrans-60.6-46.3178166.1-97.4000112.4N57 N96 H101 R102N57-F98 WeakPolarHBondContact OD1-CZ 3.39Å; N96-F98 VanDerWaalsContact C-N 3.3Å; N96-F98 PolarHBondContact O-N 2.94Å; N96-F98 WeakPolarHBondContact OD1-CB 3.26Å; N96-F98 PolarHBondContact OD1-N 3.46Å; N96-F98 VanDerWaalsContact OD1-N 3.12Å; F98-H101 PolarHBondContact O-N 3.24Å; F98-R102 WeakPolarHBondContact O-CG 2.95Å; F98-R102 PolarHBondContact O-N 3.12Å
99L96.4Very high94.4Very high12 Ų1250 Ų506%0.06324%0.242CC..Hα-helixtrans-63.2-42.4177.6-67.2177.9000111.4I89 N96 E97 R102 F103I89-L99 HydrophobicContact CB-CB 4.22Å; I89-L99 WeakPolarHBondContact CG2-O 3.42Å; I89-L99 VanDerWaalsContact O-CD1 3.27Å; I89-L99 WeakPolarHBondContact O-CD1 3.44Å; N96-L99 PolarHBondContact O-N 3.47Å; N96-L99 WeakPolarHBondContact OD1-CG 3.31Å; N96-L99 PolarHBondContact OD1-N 3.31Å; E97-L99 PolarHBondContact O-N 3.5Å; L99-R102 VanDerWaalsContact CD2-CZ 3.41Å; L99-R102 WeakPolarHBondContact O-CG 3.44Å; L99-F103 WeakPolarHBondContact O-CB 3.25Å; L99-F103 PolarHBondContact O-N 3.29Å
100N95.1Very high93.6Very high13 Ų1353.2 Ų53.27%0.0726%0.26CS..Hα-helixtrans-62.6-49.5175.1-77.5-87.6000111.2I89 T95 N96 E97 F103 H104 N130I89-N100 WeakPolarHBondContact CD1-OD1 3.47Å; T95-N100 PolarHBondContact OG1-ND2 2.8Å; T95-N100 VanDerWaalsContact OG1-ND2 3.08Å; N96-N100 PolarHBondContact O-N 2.87Å; N96-N100 PolarHBondContact O-ND2 2.95Å; E97-N100 PolarHBondContact O-N 3.38Å; N100-F103 PolarHBondContact O-N 3.05Å; N100-H104 PolarHBondContact O-N 3.27Å; N100-H104 PolarHBondContact O-ND1 2.96Å; N100-N130 PolarHBondContact OD1-ND2 3.16Å
101H95Very high92.7Very high75 Ų7555.2 Ų55.235%0.34727%0.272SS..Hα-helixtrans-62.9-45-177.8-74.6176.1000112.6E97 F98 F103 H104 R105 V111E97-H101 WeakPolarHBondContact CG-CE1 3.44Å; E97-H101 WeakPolarHBondContact O-CB 3.16Å; E97-H101 VanDerWaalsContact O-CG 3.29Å; E97-H101 PolarHBondContact O-N 3.46Å; E97-H101 IonicContact OE1-CE1 3.3Å; E97-H101 PolarHBondContact OE1-CE1 2.83Å; E97-H101 IonicContact OE1-NE2 2.65Å; F98-H101 PolarHBondContact O-N 3.24Å; H101-F103 PolarHBondContact O-N 3.44Å; H101-H104 PolarHBondContact O-N 3.11Å; H101-R105 WeakPolarHBondContact O-CB 3.36Å; H101-R105 PolarHBondContact O-N 3.06Å; H101-V111 HydrophobicContact CB-CG2 4Å
102R96Very high92Very high8 Ų860.6 Ų60.63%0.0329%0.292CS..Hα-helixtrans-64.6-40.5179.574.4-179.8-173.5175.8-0.1112.1G52 A55 F60 F98 L99 D106G52-R102 PolarHBondContact O-NH2 2.8Å; A55-R102 PolarHBondContact O-NH1 3.34Å; A55-R102 PolarHBondContact O-NH2 3.08Å; F60-R102 HydrophobicContact CD1-CG 4.47Å; F60-R102 HydrophobicContact CE1-CB 4.04Å; F60-R102 HydrophobicContact CE1-CG 4.02Å; F60-R102 HydrophobicContact CE2-CG 4.06Å; F60-R102 HydrophobicContact CZ-CB 4.23Å; F60-R102 HydrophobicContact CZ-CG 3.81Å; F98-R102 WeakPolarHBondContact O-CG 2.95Å; F98-R102 PolarHBondContact O-N 3.12Å; L99-R102 VanDerWaalsContact CD2-CZ 3.41Å; L99-R102 WeakPolarHBondContact O-CG 3.44Å; R102-D106 WeakPolarHBondContact O-CB 3.34Å; R102-D106 PolarHBondContact O-N 3.06Å; R102-D106 VanDerWaalsContact O-N 3.1Å
103F97.4Very high91.6Very high0 Ų060.4 Ų60.40%029%0.293CS..Hα-helixtrans-61.4-53.3176.1178-94000111.3I48 V84 D88 I89 L99 N100 H101 R105 D106 V107 G108I48-F103 HydrophobicContact CD1-CE2 4.46Å; I48-F103 HydrophobicContact CD1-CZ 4.17Å; V84-F103 HydrophobicContact CB-CD1 3.82Å; V84-F103 HydrophobicContact CB-CE1 3.48Å; V84-F103 VanDerWaalsContact CB-CE1 3.48Å; V84-F103 HydrophobicContact CB-CZ 4.06Å; V84-F103 HydrophobicContact CG2-CD1 3.54Å; V84-F103 HydrophobicContact CG2-CD2 4.37Å; V84-F103 HydrophobicContact CG2-CE1 3.6Å; V84-F103 HydrophobicContact CG2-CE2 4.39Å; V84-F103 HydrophobicContact CG2-CG 3.94Å; V84-F103 HydrophobicContact CG2-CZ 4.02Å; D88-F103 HydrophobicContact CB-CD2 3.58Å; D88-F103 HydrophobicContact CB-CE2 3.51Å; D88-F103 HydrophobicContact CB-CG 4.35Å; D88-F103 HydrophobicContact CB-CZ 4.26Å; I89-F103 HydrophobicContact CG2-CB 3.64Å; I89-F103 HydrophobicContact CG2-CG 4.04Å; L99-F103 WeakPolarHBondContact O-CB 3.25Å; L99-F103 PolarHBondContact O-N 3.29Å; N100-F103 PolarHBondContact O-N 3.05Å; H101-F103 PolarHBondContact O-N 3.44Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.42Å; F103-D106 PolarHBondContact O-N 3Å; F103-V107 HydrophobicContact CD2-CB 3.99Å; F103-V107 HydrophobicContact CD2-CG1 4.33Å; F103-V107 HydrophobicContact CD2-CG2 4.08Å; F103-V107 HydrophobicContact CE2-CB 3.83Å; F103-V107 HydrophobicContact CE2-CG1 3.66Å; F103-V107 HydrophobicContact CE2-CG2 4.16Å; F103-V107 HydrophobicContact CZ-CB 4.18Å; F103-V107 HydrophobicContact CZ-CG1 3.82Å; F103-V107 WeakPolarHBondContact O-CA 3.38Å; F103-V107 WeakPolarHBondContact O-CB 3.38Å; F103-V107 PolarHBondContact O-N 2.95Å; F103-G108 PolarHBondContact O-N 2.59Å; F103-G108 VanDerWaalsContact O-N 3.13Å
104H95.5Very high91.5Very high16 Ų1651.7 Ų51.77%0.07426%0.259CS..Hα-helixtrans-68.9-31.5-176-64.9101.4000112.8N100 H101 G108 D109 N110 T113N100-H104 PolarHBondContact O-N 3.27Å; N100-H104 PolarHBondContact O-ND1 2.96Å; H101-H104 PolarHBondContact O-N 3.11Å; H104-G108 CarbonylContact O-C 3.53Å; H104-G108 VanDerWaalsContact O-CA 3.28Å; H104-G108 WeakPolarHBondContact O-CA 3.36Å; H104-G108 PolarHBondContact O-N 3.36Å; H104-D109 PolarHBondContact O-N 3.03Å; H104-N110 VanDerWaalsContact CB-O 3.26Å; H104-N110 WeakPolarHBondContact CB-O 3.18Å; H104-N110 CarbonylContact O-C 3.48Å; H104-N110 PolarHBondContact O-N 3.41Å; H104-T113 WeakPolarHBondContact CD2-CB 3.22Å; H104-T113 VanDerWaalsContact CD2-CG2 3.43Å; H104-T113 WeakPolarHBondContact CD2-CG2 3.48Å
105R94.7Very high91.5Very high127 Ų12749.9 Ų49.948%0.47924%0.243SC..Hα-helixtrans-64-48.5173.3-178.1-174.164.8-148.4-5.4112.3H101 F103 V111H101-R105 WeakPolarHBondContact O-CB 3.36Å; H101-R105 PolarHBondContact O-N 3.06Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.42Å; R105-V111 HydrophobicContact CB-CB 4.18Å; R105-V111 HydrophobicContact CB-CG2 4.36Å
106D94.4Very high91.5Very high22 Ų2248.7 Ų48.712%0.11824%0.236CC..Hα-helixtrans-101-25.5-163.9-63.8-40000114F60 V64 R68 R102 F103F60-D106 HydrophobicContact CE1-CB 3.97Å; V64-D106 HydrophobicContact CG1-CB 3.99Å; V64-D106 HydrophobicContact CG2-CB 3.79Å; R68-D106 PolarHBondContact NH2-O 3.24Å; R102-D106 WeakPolarHBondContact O-CB 3.34Å; R102-D106 PolarHBondContact O-N 3.06Å; R102-D106 VanDerWaalsContact O-N 3.1Å; F103-D106 PolarHBondContact O-N 3Å
107V95.1Very high91.6Very high4 Ų446.2 Ų46.22%0.02422%0.221CC..THydrogen-bonded Turntrans-110.6-38.7178.5-177.60000111.8I48 L49 V64 F67 T82 F103I48-V107 HydrophobicContact CD1-CG1 3.68Å; I48-V107 HydrophobicContact CG2-CG1 4.47Å; L49-V107 HydrophobicContact CD1-CG2 4.49Å; V64-V107 HydrophobicContact CG2-CG2 4Å; F67-V107 HydrophobicContact CD1-CG1 4.26Å; F67-V107 HydrophobicContact CE1-CG1 3.88Å; F67-V107 HydrophobicContact CE2-CG1 4.41Å; F67-V107 HydrophobicContact CZ-CG1 3.97Å; T82-V107 HydrophobicContact CG2-CG1 4.19Å; F103-V107 HydrophobicContact CD2-CB 3.99Å; F103-V107 HydrophobicContact CD2-CG1 4.33Å; F103-V107 HydrophobicContact CD2-CG2 4.08Å; F103-V107 HydrophobicContact CE2-CB 3.83Å; F103-V107 HydrophobicContact CE2-CG1 3.66Å; F103-V107 HydrophobicContact CE2-CG2 4.16Å; F103-V107 HydrophobicContact CZ-CB 4.18Å; F103-V107 HydrophobicContact CZ-CG1 3.82Å; F103-V107 WeakPolarHBondContact O-CA 3.38Å; F103-V107 WeakPolarHBondContact O-CB 3.38Å; F103-V107 PolarHBondContact O-N 2.95Å
108G85.2Confident91.8Very high20 Ų2040.1 Ų40.121%0.20619%0.192CC..SBendtrans-91.53.2-179.600000116T82 F103 H104 N110T82-G108 WeakPolarHBondContact OG1-CA 3.39Å; F103-G108 PolarHBondContact O-N 2.59Å; F103-G108 VanDerWaalsContact O-N 3.13Å; H104-G108 CarbonylContact O-C 3.53Å; H104-G108 VanDerWaalsContact O-CA 3.28Å; H104-G108 WeakPolarHBondContact O-CA 3.36Å; H104-G108 PolarHBondContact O-N 3.36Å; G108-N110 PolarHBondContact O-N 3.47Å
109D71.9Confident91.8Very high110 Ų11035.4 Ų35.459%0.58817%0.172SC*.SBendtrans59.7-1.8-178.5-66.9-31.1000117.2H104H104-D109 PolarHBondContact O-N 3.03Å
110N82Confident91.9Very high68 Ų6835.2 Ų35.236%0.36417%0.171SC..  trans-145.7112.5-179.4-175.1-5.2000113.1H104 G108 Y112 T113H104-N110 VanDerWaalsContact CB-O 3.26Å; H104-N110 WeakPolarHBondContact CB-O 3.18Å; H104-N110 CarbonylContact O-C 3.48Å; H104-N110 PolarHBondContact O-N 3.41Å; G108-N110 PolarHBondContact O-N 3.47Å; N110-Y112 PolarHBondContact O-N 3.36Å; N110-Y112 PolarHBondContact OD1-N 3.07Å; N110-T113 WeakPolarHBondContact O-CB 3.36Å; N110-T113 PolarHBondContact O-N 3.05Å; N110-T113 VanDerWaalsContact O-N 3.16Å; N110-T113 PolarHBondContact O-OG1 3.33Å
111V79.3Confident91.9Very high41 Ų4136.7 Ų36.725%0.24818%0.177CC..THydrogen-bonded Turntrans-61.6-28.5-18071.10000113.7H101 R105 T113H101-V111 HydrophobicContact CB-CG2 4Å; R105-V111 HydrophobicContact CB-CB 4.18Å; R105-V111 HydrophobicContact CB-CG2 4.36Å; V111-T113 PolarHBondContact O-N 3.22Å
112Y82.9Confident91.8Very high153 Ų15339.9 Ų39.960%0.619%0.19SC*.THydrogen-bonded Turntrans-88.920.3-179.5-56.4-72.9000112.7N110 P114N110-Y112 PolarHBondContact O-N 3.36Å; N110-Y112 PolarHBondContact OD1-N 3.07Å; Y112-P114 VanDerWaalsContact O-CD 3.23Å; Y112-P114 WeakPolarHBondContact O-CD 3.41Å; Y112-P114 VanDerWaalsContact O-N 3.16Å
113T90.2Very high91.7Very high26 Ų2639.9 Ų39.916%0.1619%0.193CC..  trans-63.4116.6177.2-61.50000109.4H104 N110 V111 Y117H104-T113 WeakPolarHBondContact CD2-CB 3.22Å; H104-T113 VanDerWaalsContact CD2-CG2 3.43Å; H104-T113 WeakPolarHBondContact CD2-CG2 3.48Å; N110-T113 WeakPolarHBondContact O-CB 3.36Å; N110-T113 PolarHBondContact O-N 3.05Å; N110-T113 VanDerWaalsContact O-N 3.16Å; N110-T113 PolarHBondContact O-OG1 3.33Å; V111-T113 PolarHBondContact O-N 3.22Å; T113-Y117 HydrophobicContact CG2-CD1 3.98Å; T113-Y117 HydrophobicContact CG2-CE1 3.55Å
114P93.5Very high91.8Very high5 Ų540.4 Ų40.43%0.03220%0.196CC..  trans-70.6159.6177.831.4-37.3000111.1Y112 I116 Y117 I148 F183Y112-P114 VanDerWaalsContact O-CD 3.23Å; Y112-P114 WeakPolarHBondContact O-CD 3.41Å; Y112-P114 VanDerWaalsContact O-N 3.16Å; P114-I116 WeakPolarHBondContact CG-O 3.29Å; P114-I116 PolarHBondContact O-N 3.05Å; P114-I116 VanDerWaalsContact O-N 3.07Å; P114-Y117 HydrophobicContact CG-CD1 4.26Å; P114-Y117 HydrophobicContact CG-CG 4.34Å; P114-I148 HydrophobicContact CB-CD1 3.58Å; P114-F183 HydrophobicContact CB-CB 4.29Å
115P95.6Very high91.9Very high12 Ų1239.7 Ų39.78%0.07819%0.192CC..SBendtrans-62.8-18.4-179.625.5-35.7000113.9N130 A133 L141 K144 A145P115-N130 HydrophobicContact CB-CB 4.48Å; P115-N130 WeakPolarHBondContact O-CB 3.41Å; P115-N130 PolarHBondContact O-N 2.96Å; P115-A133 HydrophobicContact CB-CB 3.78Å; P115-L141 HydrophobicContact CB-CD1 3.86Å; P115-L141 HydrophobicContact CG-CD1 4.42Å; P115-K144 HydrophobicContact CG-CB 3.93Å; P115-A145 HydrophobicContact CB-CB 3.96Å; P115-A145 HydrophobicContact CG-CB 3.9Å
116I97.6Very high92.1Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-146.5137.3168.4-174168.1000108.7P114 V127 I128 A129 F134 A145 I148 L149 I152 L249P114-I116 WeakPolarHBondContact CG-O 3.29Å; P114-I116 PolarHBondContact O-N 3.05Å; P114-I116 VanDerWaalsContact O-N 3.07Å; I116-V127 HydrophobicContact CD1-CG1 3.66Å; I116-V127 HydrophobicContact CG1-CG1 3.65Å; I116-I128 VanDerWaalsContact CA-O 3.29Å; I116-I128 WeakPolarHBondContact CA-O 3.4Å; I116-A129 HydrophobicContact CD1-CB 4.01Å; I116-A129 HydrophobicContact CG1-CB 4.1Å; I116-F134 HydrophobicContact CD1-CE2 4.39Å; I116-F134 HydrophobicContact CD1-CZ 3.84Å; I116-A145 HydrophobicContact CG2-CB 4.49Å; I116-A145 WeakPolarHBondContact CG2-O 3.28Å; I116-I148 HydrophobicContact CG2-CB 3.84Å; I116-I148 HydrophobicContact CG2-CG2 3.84Å; I116-I148 VanDerWaalsContact O-CG2 3.26Å; I116-I148 WeakPolarHBondContact O-CG2 3.48Å; I116-L149 HydrophobicContact CD1-CB 4.36Å; I116-L149 HydrophobicContact CD1-CD1 3.87Å; I116-L149 HydrophobicContact CG2-CB 4.49Å; I116-I152 HydrophobicContact CG1-CD1 4.01Å; I116-I152 HydrophobicContact CG2-CD1 4.35Å; I116-L249 HydrophobicContact CD1-CD2 4.27Å
117Y96.9Very high92.3Very high24 Ų2433 Ų339%0.09417%0.165CC..EExtended strand (participates in β ladder)trans-146.8156174.859.4-77.4000112.2T113 P114 W119 V127 I128 Y185T113-Y117 HydrophobicContact CG2-CD1 3.98Å; T113-Y117 HydrophobicContact CG2-CE1 3.55Å; P114-Y117 HydrophobicContact CG-CD1 4.26Å; P114-Y117 HydrophobicContact CG-CG 4.34Å; Y117-W119 HydrophobicContact CD2-CB 4.24Å; Y117-W119 HydrophobicContact CE2-CB 4.06Å; Y117-V127 CarbonylContact O-C 3.55Å; Y117-V127 WeakPolarHBondContact O-CA 3.35Å; Y117-I128 HydrophobicContact CD1-CB 4.15Å; Y117-I128 HydrophobicContact CD1-CG2 4.34Å; Y117-I128 HydrophobicContact CE1-CB 3.67Å; Y117-I128 HydrophobicContact CE1-CD1 4.39Å; Y117-I128 HydrophobicContact CE1-CG2 3.55Å; Y117-I128 HydrophobicContact CE2-CB 4.14Å; Y117-I128 HydrophobicContact CE2-CD1 3.69Å; Y117-I128 HydrophobicContact CE2-CG1 4.37Å; Y117-I128 PolarHBondContact N-O 3.12Å; Y117-I128 PolarHBondContact O-N 3.24Å; Y117-I128 WeakPolarHBondContact OH-CD1 3.26Å; Y117-Y185 CarbonylContact C-O 3.59Å; Y117-Y185 WeakPolarHBondContact CA-O 3.37Å; Y117-Y185 WeakPolarHBondContact CB-O 3.41Å
118L97.7Very high92.4Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-91.2128.5169-176.4146.8000109.2H125 F126 I152 Y155 L156 Y185 I186 D187 V188L118-H125 HydrophobicContact CD1-CB 4.39Å; L118-F126 CarbonylContact C-O 3.46Å; L118-F126 WeakPolarHBondContact CA-O 3.28Å; L118-I152 HydrophobicContact CB-CG1 4.4Å; L118-I152 HydrophobicContact CB-CG2 4.2Å; L118-I152 HydrophobicContact CD1-CG2 4.08Å; L118-Y155 HydrophobicContact CD1-CD1 4.01Å; L118-Y155 HydrophobicContact CD1-CE1 4.18Å; L118-Y155 HydrophobicContact CD2-CE1 4.27Å; L118-L156 HydrophobicContact CD1-CD1 4.35Å; L118-L156 HydrophobicContact CD1-CD2 3.63Å; L118-L156 HydrophobicContact CD1-CG 3.92Å; L118-Y185 PolarHBondContact N-O 3.07Å; L118-I186 HydrophobicContact CD2-CG2 4.31Å; L118-D187 PolarHBondContact O-N 3.08Å; L118-V188 HydrophobicContact CD2-CG1 4.12Å
119W96.5Very high93.1Very high8 Ų832.1 Ų32.13%0.0316%0.156CC..EExtended strand (participates in β ladder)trans-119.6120.6171.9167.552.3000109A41 I43 L79 K81 Y117 F121 F126 I128 D187A41-W119 HydrophobicContact CB-CH2 4.19Å; I43-W119 HydrophobicContact CD1-CZ3 4.26Å; I43-W119 HydrophobicContact CG1-CZ3 4.36Å; L79-W119 HydrophobicContact CD2-CH2 4.3Å; L79-W119 HydrophobicContact CD2-CZ2 3.37Å; K81-W119 HydrophobicContact CB-CZ3 4.46Å; K81-W119 HydrophobicContact CD-CD2 4.4Å; K81-W119 HydrophobicContact CG-CD2 4.12Å; K81-W119 HydrophobicContact CG-CE3 4.06Å; K81-W119 HydrophobicContact CG-CH2 3.93Å; K81-W119 HydrophobicContact CG-CZ2 3.96Å; K81-W119 HydrophobicContact CG-CZ3 3.97Å; Y117-W119 HydrophobicContact CD2-CB 4.24Å; Y117-W119 HydrophobicContact CE2-CB 4.06Å; W119-F121 HydrophobicContact CD2-CB 4.32Å; W119-F121 HydrophobicContact CH2-CB 3.83Å; W119-F121 AromaticContact CH2-CD1 3.96Å; W119-F121 HydrophobicContact CH2-CD1 3.96Å; W119-F121 HydrophobicContact CH2-CD2 4.44Å; W119-F121 AromaticContact CH2-CG 3.84Å; W119-F121 HydrophobicContact CH2-CG 3.84Å; W119-F121 HydrophobicContact CZ2-CB 3.29Å; W119-F121 AromaticContact CZ2-CD1 3.87Å; W119-F121 HydrophobicContact CZ2-CD1 3.87Å; W119-F121 AromaticContact CZ2-CD2 3.54Å; W119-F121 HydrophobicContact CZ2-CD2 3.54Å; W119-F121 HydrophobicContact CZ2-CE2 4.27Å; W119-F121 AromaticContact CZ2-CG 3.29Å; W119-F121 HydrophobicContact CZ2-CG 3.29Å; W119-F126 HydrophobicContact CD2-CD2 4.35Å; W119-F126 HydrophobicContact CE3-CB 3.74Å; W119-F126 AromaticContact CE3-CD2 3.67Å; W119-F126 HydrophobicContact CE3-CD2 3.67Å; W119-F126 AromaticContact CE3-CG 3.81Å; W119-F126 HydrophobicContact CE3-CG 3.81Å; W119-F126 HydrophobicContact CH2-CD2 4.44Å; W119-F126 HydrophobicContact CZ3-CB 4.35Å; W119-F126 AromaticContact CZ3-CD2 3.72Å; W119-F126 HydrophobicContact CZ3-CD2 3.72Å; W119-F126 HydrophobicContact CZ3-CE2 4.14Å; W119-F126 AromaticContact CZ3-CG 3.95Å; W119-F126 HydrophobicContact CZ3-CG 3.95Å; W119-F126 PolarHBondContact N-O 3.4Å; W119-F126 PolarHBondContact O-N 2.85Å; W119-I128 HydrophobicContact CB-CD1 4.44Å; W119-I128 HydrophobicContact CE3-CD1 4.14Å; W119-D187 CarbonylContact C-O 3.57Å; W119-D187 WeakPolarHBondContact CA-O 3.46Å; W119-D187 HydrophobicContact CB-CB 4.46Å; W119-D187 VanDerWaalsContact CD1-OD2 3.27Å
120S96.8Very high94.3Very high7 Ų727.1 Ų27.15%0.04913%0.129CC..EExtended strand (participates in β ladder)trans-98.3129.3173.6-171.60000110.3I124 H125 D187 S195S120-I124 WeakPolarHBondContact CA-O 3.22Å; S120-H125 PolarHBondContact OG-ND1 2.76Å; S120-D187 PolarHBondContact N-O 2.81Å; S120-S195 PolarHBondContact OG-OG 3.13Å
121F96.1Very high95.1Very high44 Ų4424 Ų2419%0.19311%0.113CC..EExtended strand (participates in β ladder)trans-138.4117.2179.7-172.1-117.8000110N40 A41 L79 W119 G123 I124 F126N40-F121 HydrophobicContact CB-CE1 3.92Å; N40-F121 HydrophobicContact CB-CZ 4.07Å; A41-F121 HydrophobicContact CB-CD1 4.26Å; A41-F121 HydrophobicContact CB-CE1 3.58Å; A41-F121 HydrophobicContact CB-CZ 3.92Å; L79-F121 HydrophobicContact CB-CE2 4.43Å; L79-F121 HydrophobicContact CD2-CD2 4.25Å; L79-F121 HydrophobicContact CD2-CE2 4.1Å; W119-F121 HydrophobicContact CD2-CB 4.32Å; W119-F121 HydrophobicContact CH2-CB 3.83Å; W119-F121 AromaticContact CH2-CD1 3.96Å; W119-F121 HydrophobicContact CH2-CD1 3.96Å; W119-F121 HydrophobicContact CH2-CD2 4.44Å; W119-F121 AromaticContact CH2-CG 3.84Å; W119-F121 HydrophobicContact CH2-CG 3.84Å; W119-F121 HydrophobicContact CZ2-CB 3.29Å; W119-F121 AromaticContact CZ2-CD1 3.87Å; W119-F121 HydrophobicContact CZ2-CD1 3.87Å; W119-F121 AromaticContact CZ2-CD2 3.54Å; W119-F121 HydrophobicContact CZ2-CD2 3.54Å; W119-F121 HydrophobicContact CZ2-CE2 4.27Å; W119-F121 AromaticContact CZ2-CG 3.29Å; W119-F121 HydrophobicContact CZ2-CG 3.29Å; F121-G123 PolarHBondContact O-N 2.77Å; F121-I124 PolarHBondContact N-O 2.68Å; F121-I124 WeakPolarHBondContact O-CB 3.33Å; F121-I124 PolarHBondContact O-N 2.86Å; F121-F126 HydrophobicContact CB-CD2 4.41Å; F121-F126 HydrophobicContact CB-CE2 4.14Å
122F93.8Very high96Very high142 Ų14222.3 Ų22.362%0.62310%0.102SC*.THydrogen-bonded Turntrans49.545.1-173.4-69.8-84.2000112.4N40 I124N40-F122 HydrophobicContact CB-CE2 4.49Å; F122-I124 PolarHBondContact O-N 2.85Å
123G93.8Very high96.8Very high9 Ų915 Ų159%0.0937%0.074CC..THydrogen-bonded Turntrans70.67.6-179.400000115.5F121 S194 S199F121-G123 PolarHBondContact O-N 2.77Å; G123-S194 WeakPolarHBondContact CA-O 3.46Å; G123-S194 VanDerWaalsContact CA-OG 3.26Å; G123-S194 WeakPolarHBondContact CA-OG 3.43Å; G123-S194 PolarHBondContact N-OG 3Å; G123-S194 VanDerWaalsContact N-OG 3.09Å; G123-S199 WeakPolarHBondContact O-CB 3.48Å
124I97.7Very high97.2Very high11 Ų1114 Ų146%0.0567%0.067CC..EExtended strand (participates in β ladder)trans-100.5123.2175.1-50.2-53.3000109.3S120 F121 F122 F126 I303 S304 S305S120-I124 WeakPolarHBondContact CA-O 3.22Å; F121-I124 PolarHBondContact N-O 2.68Å; F121-I124 WeakPolarHBondContact O-CB 3.33Å; F121-I124 PolarHBondContact O-N 2.86Å; F122-I124 PolarHBondContact O-N 2.85Å; I124-F126 HydrophobicContact CB-CE2 3.74Å; I124-F126 HydrophobicContact CB-CZ 4.15Å; I124-F126 HydrophobicContact CG2-CD2 4.29Å; I124-F126 HydrophobicContact CG2-CE1 4.35Å; I124-F126 HydrophobicContact CG2-CE2 3.61Å; I124-F126 HydrophobicContact CG2-CZ 3.64Å; I124-F126 WeakPolarHBondContact O-CD2 3.35Å; I124-I303 HydrophobicContact CG1-CG2 4.46Å; I124-I303 HydrophobicContact CG2-CD1 4.17Å; I124-I303 HydrophobicContact CG2-CG1 4.27Å; I124-S304 WeakPolarHBondContact CD1-O 3.34Å; I124-S305 VanDerWaalsContact CD1-N 3.34Å
125H97.8Very high97.3Very high0 Ų015.8 Ų15.80%08%0.075CC..EExtended strand (participates in β ladder)trans-86.7121.6177.7-52.5-29.3000111.2L118 S120 L156 S195 V197 S199 P201 V202L118-H125 HydrophobicContact CD1-CB 4.39Å; S120-H125 PolarHBondContact OG-ND1 2.76Å; H125-L156 HydrophobicContact CB-CD2 4.45Å; H125-S195 PolarHBondContact CE1-O 3.49Å; H125-V197 PolarHBondContact CE1-O 3.28Å; H125-V197 PolarHBondContact NE2-O 3.09Å; H125-S199 PolarHBondContact CD2-N 3.27Å; H125-S199 PolarHBondContact CD2-O 2.9Å; H125-S199 VanDerWaalsContact CD2-O 3.25Å; H125-S199 PolarHBondContact NE2-N 2.78Å; H125-P201 VanDerWaalsContact O-CA 3.29Å; H125-P201 WeakPolarHBondContact O-CA 3.43Å; H125-V202 PolarHBondContact O-N 2.91Å
126F98.7Very high97.3Very high8 Ų817.9 Ų17.94%0.03510%0.098CC..EExtended strand (participates in β ladder)trans-108.8140.8170.5-60.3-90000108.8L118 W119 F121 I124 V202 L204 I303L118-F126 CarbonylContact C-O 3.46Å; L118-F126 WeakPolarHBondContact CA-O 3.28Å; W119-F126 HydrophobicContact CD2-CD2 4.35Å; W119-F126 HydrophobicContact CE3-CB 3.74Å; W119-F126 AromaticContact CE3-CD2 3.67Å; W119-F126 HydrophobicContact CE3-CD2 3.67Å; W119-F126 AromaticContact CE3-CG 3.81Å; W119-F126 HydrophobicContact CE3-CG 3.81Å; W119-F126 HydrophobicContact CH2-CD2 4.44Å; W119-F126 HydrophobicContact CZ3-CB 4.35Å; W119-F126 AromaticContact CZ3-CD2 3.72Å; W119-F126 HydrophobicContact CZ3-CD2 3.72Å; W119-F126 HydrophobicContact CZ3-CE2 4.14Å; W119-F126 AromaticContact CZ3-CG 3.95Å; W119-F126 HydrophobicContact CZ3-CG 3.95Å; W119-F126 PolarHBondContact N-O 3.4Å; W119-F126 PolarHBondContact O-N 2.85Å; F121-F126 HydrophobicContact CB-CD2 4.41Å; F121-F126 HydrophobicContact CB-CE2 4.14Å; I124-F126 HydrophobicContact CB-CE2 3.74Å; I124-F126 HydrophobicContact CB-CZ 4.15Å; I124-F126 HydrophobicContact CG2-CD2 4.29Å; I124-F126 HydrophobicContact CG2-CE1 4.35Å; I124-F126 HydrophobicContact CG2-CE2 3.61Å; I124-F126 HydrophobicContact CG2-CZ 3.64Å; I124-F126 WeakPolarHBondContact O-CD2 3.35Å; F126-V202 CarbonylContact C-O 3.5Å; F126-V202 VanDerWaalsContact CA-O 3.29Å; F126-V202 WeakPolarHBondContact CA-O 3.04Å; F126-V202 HydrophobicContact CD1-CB 3.69Å; F126-V202 HydrophobicContact CD1-CG1 4.01Å; F126-V202 HydrophobicContact CD1-CG2 4.34Å; F126-V202 HydrophobicContact CE1-CB 4Å; F126-V202 HydrophobicContact CE1-CG1 4.2Å; F126-V202 HydrophobicContact CE1-CG2 4.2Å; F126-L204 HydrophobicContact CB-CD1 3.94Å; F126-L204 HydrophobicContact CB-CG 4.44Å; F126-L204 HydrophobicContact CD1-CD1 3.8Å; F126-L204 HydrophobicContact CD1-CD2 4.26Å; F126-L204 HydrophobicContact CD1-CG 4.12Å; F126-L204 HydrophobicContact CG-CD1 4.14Å; F126-I303 HydrophobicContact CZ-CG2 4.42Å
127V98.8Very high97.2Very high0 Ų021.9 Ų21.90%012%0.12CC..EExtended strand (participates in β ladder)trans-113110.1170.5179.70000107.4I116 Y117 I152 P201 V202 I203 L204 L253I116-V127 HydrophobicContact CD1-CG1 3.66Å; I116-V127 HydrophobicContact CG1-CG1 3.65Å; Y117-V127 CarbonylContact O-C 3.55Å; Y117-V127 WeakPolarHBondContact O-CA 3.35Å; V127-I152 HydrophobicContact CG2-CG2 4.18Å; V127-P201 HydrophobicContact CG2-CB 4.07Å; V127-V202 PolarHBondContact N-O 2.85Å; V127-I203 CarbonylContact O-C 3.58Å; V127-I203 WeakPolarHBondContact O-CA 3.5Å; V127-L204 PolarHBondContact O-N 2.94Å; V127-L253 HydrophobicContact CB-CD1 4.12Å; V127-L253 HydrophobicContact CG1-CD1 3.75Å; V127-L253 HydrophobicContact CG2-CD1 4.24Å; V127-L253 HydrophobicContact CG2-CD2 4.23Å
128I98.6Very high97.1Very high7 Ų725.9 Ų25.94%0.03614%0.143CC..EExtended strand (participates in β ladder)trans-90.4119.6177.7-67.5168.6000107.5K81 V83 I116 Y117 W119 L204K81-I128 HydrophobicContact CB-CD1 4.35Å; V83-I128 HydrophobicContact CG2-CG2 4.04Å; I116-I128 VanDerWaalsContact CA-O 3.29Å; I116-I128 WeakPolarHBondContact CA-O 3.4Å; Y117-I128 HydrophobicContact CD1-CB 4.15Å; Y117-I128 HydrophobicContact CD1-CG2 4.34Å; Y117-I128 HydrophobicContact CE1-CB 3.67Å; Y117-I128 HydrophobicContact CE1-CD1 4.39Å; Y117-I128 HydrophobicContact CE1-CG2 3.55Å; Y117-I128 HydrophobicContact CE2-CB 4.14Å; Y117-I128 HydrophobicContact CE2-CD1 3.69Å; Y117-I128 HydrophobicContact CE2-CG1 4.37Å; Y117-I128 PolarHBondContact N-O 3.12Å; Y117-I128 PolarHBondContact O-N 3.24Å; Y117-I128 WeakPolarHBondContact OH-CD1 3.26Å; W119-I128 HydrophobicContact CB-CD1 4.44Å; W119-I128 HydrophobicContact CE3-CD1 4.14Å; I128-L204 WeakPolarHBondContact CA-O 3.42Å; I128-L204 HydrophobicContact CD1-CD1 4.21Å; I128-L204 HydrophobicContact CG1-CB 3.97Å; I128-L204 HydrophobicContact CG1-CD1 3.75Å; I128-L204 HydrophobicContact CG1-CG 4.35Å
129A98.6Very high97Very high0 Ų027.9 Ų27.90%016%0.157CC..EExtended strand (participates in β ladder)trans-122.6122.5-17500000110.8I116 S131 F134 L204 Q205I116-A129 HydrophobicContact CD1-CB 4.01Å; I116-A129 HydrophobicContact CG1-CB 4.1Å; A129-S131 PolarHBondContact O-N 3.13Å; A129-S131 VanDerWaalsContact O-N 3.1Å; A129-F134 HydrophobicContact CB-CE2 3.98Å; A129-L204 PolarHBondContact N-O 2.97Å; A129-Q205 HydrophobicContact CB-CB 4.28Å; A129-Q205 WeakPolarHBondContact O-CA 3.48Å; A129-Q205 WeakPolarHBondContact O-CB 3.34Å
130N98.2Very high96.9Very high5 Ų533.7 Ų33.73%0.02719%0.188CC..  trans-68.1103.4165.7179.3-3.9000108.3V84 N100 P115 I132 A133 F134V84-N130 HydrophobicContact CG1-CB 3.73Å; V84-N130 WeakPolarHBondContact CG1-OD1 3.36Å; N100-N130 PolarHBondContact OD1-ND2 3.16Å; P115-N130 HydrophobicContact CB-CB 4.48Å; P115-N130 WeakPolarHBondContact O-CB 3.41Å; P115-N130 PolarHBondContact O-N 2.96Å; N130-I132 PolarHBondContact O-N 2.74Å; N130-I132 VanDerWaalsContact O-N 3.16Å; N130-I132 VanDerWaalsContact OD1-CB 3.26Å; N130-I132 WeakPolarHBondContact OD1-CB 3.23Å; N130-I132 VanDerWaalsContact OD1-CD1 3.23Å; N130-I132 WeakPolarHBondContact OD1-CD1 3.26Å; N130-I132 PolarHBondContact OD1-N 2.91Å; N130-A133 HydrophobicContact CB-CB 4.26Å; N130-A133 VanDerWaalsContact O-CB 3.3Å; N130-A133 WeakPolarHBondContact O-CB 3.31Å; N130-A133 PolarHBondContact O-N 3Å; N130-F134 WeakPolarHBondContact O-CD2 3.48Å
131S98.7Very high96.9Very high3 Ų335.1 Ų35.12%0.02120%0.195CC..G310 helixtrans-62.2-23.2-178.646.10000113.7A129 A133 F134 F207A129-S131 PolarHBondContact O-N 3.13Å; A129-S131 VanDerWaalsContact O-N 3.1Å; S131-A133 PolarHBondContact O-N 2.79Å; S131-F134 PolarHBondContact O-N 3.22Å; S131-F207 PolarHBondContact OG-N 2.86Å; S131-F207 VanDerWaalsContact OG-N 3.1Å
132I98.5Very high97Very high4 Ų433 Ų332%0.02119%0.186CC..G310 helixtrans-69.3-21.4176.6-61.688.5000111.2I89 H92 T95 N130 F134I89-I132 HydrophobicContact CD1-CB 4.41Å; I89-I132 HydrophobicContact CD1-CD1 4.34Å; I89-I132 HydrophobicContact CG1-CD1 4.48Å; H92-I132 VanDerWaalsContact CA-CG2 3.46Å; H92-I132 HydrophobicContact CB-CG2 3.97Å; H92-I132 PolarHBondContact ND1-O 3.06Å; T95-I132 HydrophobicContact CG2-CG2 3.7Å; N130-I132 PolarHBondContact O-N 2.74Å; N130-I132 VanDerWaalsContact O-N 3.16Å; N130-I132 VanDerWaalsContact OD1-CB 3.26Å; N130-I132 WeakPolarHBondContact OD1-CB 3.23Å; N130-I132 VanDerWaalsContact OD1-CD1 3.23Å; N130-I132 WeakPolarHBondContact OD1-CD1 3.26Å; N130-I132 PolarHBondContact OD1-N 2.91Å; I132-F134 VanDerWaalsContact C-N 3.28Å; I132-F134 PolarHBondContact O-N 3Å
133A98.3Very high97.1Very high0 Ų032.1 Ų32.10%018%0.182CC..G310 helixtrans-83.85.4176.500000114P115 N130 S131 L141 C142 A145P115-A133 HydrophobicContact CB-CB 3.78Å; N130-A133 HydrophobicContact CB-CB 4.26Å; N130-A133 VanDerWaalsContact O-CB 3.3Å; N130-A133 WeakPolarHBondContact O-CB 3.31Å; N130-A133 PolarHBondContact O-N 3Å; S131-A133 PolarHBondContact O-N 2.79Å; A133-L141 HydrophobicContact CB-CD1 4.28Å; A133-L141 HydrophobicContact CB-CD2 4.06Å; A133-L141 HydrophobicContact CB-CG 3.69Å; A133-C142 WeakPolarHBondContact O-CA 3.26Å; A133-C142 PolarHBondContact O-SG 3.14Å; A133-A145 HydrophobicContact CB-CB 3.7Å
134F98.3Very high97.2Very high6 Ų635.1 Ų35.13%0.02619%0.192CC..  trans-114.236.1-178.5-73.1-82.8000113.3I116 A129 N130 S131 I132 A145 L149 L241 A245 L249I116-F134 HydrophobicContact CD1-CE2 4.39Å; I116-F134 HydrophobicContact CD1-CZ 3.84Å; A129-F134 HydrophobicContact CB-CE2 3.98Å; N130-F134 WeakPolarHBondContact O-CD2 3.48Å; S131-F134 PolarHBondContact O-N 3.22Å; I132-F134 VanDerWaalsContact C-N 3.28Å; I132-F134 PolarHBondContact O-N 3Å; F134-A145 HydrophobicContact CE2-CB 4.39Å; F134-A145 HydrophobicContact CZ-CB 4.18Å; F134-L149 HydrophobicContact CE1-CD2 4.06Å; F134-L241 HydrophobicContact CB-CD2 4.19Å; F134-A245 HydrophobicContact CB-CB 3.9Å; F134-A245 WeakPolarHBondContact O-CB 3.31Å; F134-L249 HydrophobicContact CD1-CD2 4.43Å; F134-L249 HydrophobicContact CD1-CG 4.38Å; F134-L249 HydrophobicContact CE1-CD2 3.78Å; F134-L249 HydrophobicContact CE1-CG 4.18Å; F134-L249 HydrophobicContact CE2-CD2 4.32Å; F134-L249 HydrophobicContact CZ-CD2 3.72Å; F134-L249 HydrophobicContact CZ-CG 4.5Å
135E97.2Very high97.2Very high42 Ų4234.6 Ų34.620%0.19619%0.19CC..SBendtrans-71-32.9177.4-171.968.7-159.800113.1H92 D137 K237H92-E135 HydrophobicContact CB-CB 4.33Å; H92-E135 HydrophobicContact CB-CG 4.36Å; H92-E135 WeakPolarHBondContact CD2-CG 3.32Å; H92-E135 WeakPolarHBondContact CE1-CB 3.35Å; H92-E135 IonicContact CG-OE2 3.05Å; H92-E135 VanDerWaalsContact ND1-CB 3.34Å; H92-E135 WeakPolarHBondContact ND1-CB 3.11Å; E135-D137 HydrophobicContact CG-CB 4.49Å; E135-K237 WeakPolarHBondContact O-CE 3.24Å; E135-K237 PolarHBondContact O-NZ 3.1Å; E135-K237 WeakPolarHBondContact OE1-CD 3.34Å; E135-K237 WeakPolarHBondContact OE1-CE 3.25Å; E135-K237 WeakPolarHBondContact OE1-CG 3.31Å; E135-K237 IonicContact OE1-NZ 2.95Å; E135-K237 PolarHBondContact OE1-NZ 3.34Å; E135-K237 WeakPolarHBondContact OE2-CG 3.47Å
136G94.5Very high97.2Very high55 Ų5535.6 Ų35.657%0.56720%0.195SC*.SBendtrans87.116.7178.900000115.2
137D96.1Very high97Very high84 Ų8439.3 Ų39.345%0.44921%0.211SC..SBendtrans-93.5-3.5-179.174.1-23.9000114.1H92 E135 C139 C142H92-D137 IonicContact CE1-OD1 3.72Å; H92-D137 IonicContact CE1-OD2 3.35Å; H92-D137 IonicContact NE2-OD1 2.85Å; H92-D137 IonicContact NE2-OD2 3.96Å; H92-D137 PolarHBondContact NE2-OD2 3.4Å; E135-D137 HydrophobicContact CG-CB 4.49Å; D137-C139 VanDerWaalsContact C-N 3.26Å; D137-C139 PolarHBondContact O-N 3.1Å; D137-C139 PolarHBondContact OD1-N 2.71Å; D137-C139 VanDerWaalsContact OD1-N 3.11Å; D137-C139 PolarHBondContact OD1-SG 2.78Å; D137-C142 PolarHBondContact OD1-SG 2.86Å
138N94.2Very high96.9Very high108 Ų10839.6 Ų39.658%0.57821%0.213SC*.  trans60.124.9-176.4-56.9-56.3000115.1
139C96.6Very high96.9Very high43 Ų4339.2 Ų39.229%0.29121%0.211SC..  trans-59.4165164.1780000110.6H92 D137 L141 C142 F143H92-C139 PolarHBondContact CE1-SG 2.83Å; D137-C139 VanDerWaalsContact C-N 3.26Å; D137-C139 PolarHBondContact O-N 3.1Å; D137-C139 PolarHBondContact OD1-N 2.71Å; D137-C139 VanDerWaalsContact OD1-N 3.11Å; D137-C139 PolarHBondContact OD1-SG 2.78Å; C139-L141 PolarHBondContact O-N 2.96Å; C139-L141 VanDerWaalsContact O-N 3.09Å; C139-C142 CarbonylContact O-C 3.53Å; C139-C142 WeakPolarHBondContact O-CA 3.27Å; C139-C142 PolarHBondContact O-N 3.48Å; C139-F143 WeakPolarHBondContact O-CB 3.16Å; C139-F143 PolarHBondContact O-N 3.35Å
140D94.6Very high96.8Very high130 Ų13047.8 Ų47.870%0.69524%0.243SC*.Hα-helixtrans-52.2-41-174-67.4-17.2000113.5K144D140-K144 WeakPolarHBondContact O-CB 3.42Å; D140-K144 WeakPolarHBondContact O-CG 3.43Å; D140-K144 PolarHBondContact O-N 2.91Å
141L95.5Very high96.7Very high36 Ų3648.1 Ų48.119%0.18825%0.245CC..Hα-helixtrans-63.8-46.5177.1-175.367.4000111.6T95 P115 A133 C139 A145T95-L141 HydrophobicContact CG2-CD2 4Å; P115-L141 HydrophobicContact CB-CD1 3.86Å; P115-L141 HydrophobicContact CG-CD1 4.42Å; A133-L141 HydrophobicContact CB-CD1 4.28Å; A133-L141 HydrophobicContact CB-CD2 4.06Å; A133-L141 HydrophobicContact CB-CG 3.69Å; C139-L141 PolarHBondContact O-N 2.96Å; C139-L141 VanDerWaalsContact O-N 3.09Å; L141-A145 WeakPolarHBondContact O-CB 3.32Å; L141-A145 PolarHBondContact O-N 2.74Å
142C97.9Very high96.6Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-69.3-39.9179.1-74.40000112.8H92 A133 D137 C139 A145 N146H92-C142 VanDerWaalsContact CE1-SG 3.51Å; A133-C142 WeakPolarHBondContact O-CA 3.26Å; A133-C142 PolarHBondContact O-SG 3.14Å; D137-C142 PolarHBondContact OD1-SG 2.86Å; C139-C142 CarbonylContact O-C 3.53Å; C139-C142 WeakPolarHBondContact O-CA 3.27Å; C139-C142 PolarHBondContact O-N 3.48Å; C142-A145 PolarHBondContact O-N 2.9Å; C142-N146 WeakPolarHBondContact O-CB 3.31Å; C142-N146 VanDerWaalsContact O-CG 3.25Å; C142-N146 PolarHBondContact O-N 3.3Å; C142-N146 PolarHBondContact O-ND2 3.48Å
143F97Very high96.6Very high124 Ų12448.4 Ų48.454%0.54425%0.248SC..Hα-helixtrans-61.5-49.3175.6179.8-92.1000110.5C139 A145 N146 F147C139-F143 WeakPolarHBondContact O-CB 3.16Å; C139-F143 PolarHBondContact O-N 3.35Å; F143-A145 VanDerWaalsContact C-N 3.35Å; F143-A145 PolarHBondContact O-N 3.43Å; F143-N146 PolarHBondContact O-N 3.4Å; F143-F147 VanDerWaalsContact O-CB 3.32Å; F143-F147 WeakPolarHBondContact O-CB 3.47Å; F143-F147 PolarHBondContact O-N 3.12Å
144K95Very high96.4Very high71 Ų7153.4 Ų53.431%0.30927%0.267SS..Hα-helixtrans-58-45.7175.6-74.2175.3-176.7-1770111.5P115 D140 N146 F147 I148 F183P115-K144 HydrophobicContact CG-CB 3.93Å; D140-K144 WeakPolarHBondContact O-CB 3.42Å; D140-K144 WeakPolarHBondContact O-CG 3.43Å; D140-K144 PolarHBondContact O-N 2.91Å; K144-N146 PolarHBondContact O-N 2.64Å; K144-F147 PolarHBondContact O-N 3Å; K144-I148 WeakPolarHBondContact O-CB 3.09Å; K144-I148 VanDerWaalsContact O-CG1 3.28Å; K144-I148 WeakPolarHBondContact O-CG1 3.46Å; K144-I148 PolarHBondContact O-N 2.71Å; K144-F183 HydrophobicContact CD-CZ 4.41Å
145A97.4Very high96.3Very high0 Ų053.1 Ų53.10%027%0.266CS..Hα-helixtrans-60.1-47.6177.200000112.5P115 I116 A133 F134 L141 C142 F143 F147 I148 L149P115-A145 HydrophobicContact CB-CB 3.96Å; P115-A145 HydrophobicContact CG-CB 3.9Å; I116-A145 HydrophobicContact CG2-CB 4.49Å; I116-A145 WeakPolarHBondContact CG2-O 3.28Å; A133-A145 HydrophobicContact CB-CB 3.7Å; F134-A145 HydrophobicContact CE2-CB 4.39Å; F134-A145 HydrophobicContact CZ-CB 4.18Å; L141-A145 WeakPolarHBondContact O-CB 3.32Å; L141-A145 PolarHBondContact O-N 2.74Å; C142-A145 PolarHBondContact O-N 2.9Å; F143-A145 VanDerWaalsContact C-N 3.35Å; F143-A145 PolarHBondContact O-N 3.43Å; A145-F147 VanDerWaalsContact C-N 3.34Å; A145-F147 PolarHBondContact O-N 2.9Å; A145-I148 PolarHBondContact O-N 3.09Å; A145-L149 VanDerWaalsContact O-CB 3.22Å; A145-L149 WeakPolarHBondContact O-CB 3.23Å; A145-L149 PolarHBondContact O-N 2.78Å
146N97.8Very high96.3Very high21 Ų2151.4 Ų51.411%0.11226%0.258CS..Hα-helixtrans-64.1-39.4179.1-75.8-28.9000112.6C142 F143 K144 R150 Q248C142-N146 WeakPolarHBondContact O-CB 3.31Å; C142-N146 VanDerWaalsContact O-CG 3.25Å; C142-N146 PolarHBondContact O-N 3.3Å; C142-N146 PolarHBondContact O-ND2 3.48Å; F143-N146 PolarHBondContact O-N 3.4Å; K144-N146 PolarHBondContact O-N 2.64Å; N146-R150 WeakPolarHBondContact O-CG 3.11Å; N146-R150 PolarHBondContact O-N 2.79Å; N146-Q248 PolarHBondContact OD1-NE2 2.92Å; N146-Q248 PolarHBondContact OD1-OE1 2.91Å
147F95.7Very high96.4Very high86 Ų8652.9 Ų52.938%0.37725%0.253SS..Hα-helixtrans-64.4-52177.2-179.4-108.8000111F143 K144 A145 L149 R150 L151 L179F143-F147 VanDerWaalsContact O-CB 3.32Å; F143-F147 WeakPolarHBondContact O-CB 3.47Å; F143-F147 PolarHBondContact O-N 3.12Å; K144-F147 PolarHBondContact O-N 3Å; A145-F147 VanDerWaalsContact C-N 3.34Å; A145-F147 PolarHBondContact O-N 2.9Å; F147-L149 VanDerWaalsContact C-N 3.35Å; F147-L149 PolarHBondContact O-N 3.18Å; F147-R150 WeakPolarHBondContact O-CB 3.49Å; F147-R150 PolarHBondContact O-N 2.92Å; F147-L151 HydrophobicContact CD1-CD1 4.14Å; F147-L151 HydrophobicContact CE1-CD1 3.78Å; F147-L151 HydrophobicContact CZ-CD1 4.24Å; F147-L151 PolarHBondContact O-N 2.84Å; F147-L179 HydrophobicContact CE1-CD1 3.64Å; F147-L179 HydrophobicContact CE1-CD2 4.18Å; F147-L179 HydrophobicContact CZ-CD1 3.74Å
148I95.8Very high96.4Very high6 Ų650.4 Ų50.43%0.03124%0.241CC..Hα-helixtrans-66.6-36.2-178.9-63.3171.2000111.6P114 I116 K144 A145 R150 L151 I152 F183 Y185P114-I148 HydrophobicContact CB-CD1 3.58Å; I116-I148 HydrophobicContact CG2-CB 3.84Å; I116-I148 HydrophobicContact CG2-CG2 3.84Å; I116-I148 VanDerWaalsContact O-CG2 3.26Å; I116-I148 WeakPolarHBondContact O-CG2 3.48Å; K144-I148 WeakPolarHBondContact O-CB 3.09Å; K144-I148 VanDerWaalsContact O-CG1 3.28Å; K144-I148 WeakPolarHBondContact O-CG1 3.46Å; K144-I148 PolarHBondContact O-N 2.71Å; A145-I148 PolarHBondContact O-N 3.09Å; I148-R150 PolarHBondContact O-N 2.98Å; I148-L151 WeakPolarHBondContact O-CB 3.42Å; I148-L151 PolarHBondContact O-N 3.49Å; I148-I152 HydrophobicContact CG2-CD1 3.86Å; I148-I152 HydrophobicContact CG2-CG1 4.18Å; I148-I152 WeakPolarHBondContact O-CG1 3.22Å; I148-I152 PolarHBondContact O-N 3.09Å; I148-F183 HydrophobicContact CD1-CB 4.42Å; I148-Y185 VanDerWaalsContact CG2-CB 3.41Å; I148-Y185 HydrophobicContact CG2-CD1 4.33Å; I148-Y185 HydrophobicContact CG2-CD2 3.77Å; I148-Y185 HydrophobicContact CG2-CG 3.58Å
149L98.1Very high96.5Very high0 Ų045.5 Ų45.50%022%0.215CC..Hα-helixtrans-54.8-41.3174.3174.161.7000112I116 F134 A145 F147 I152 A153 Q248 L249 L253I116-L149 HydrophobicContact CD1-CB 4.36Å; I116-L149 HydrophobicContact CD1-CD1 3.87Å; I116-L149 HydrophobicContact CG2-CB 4.49Å; F134-L149 HydrophobicContact CE1-CD2 4.06Å; A145-L149 VanDerWaalsContact O-CB 3.22Å; A145-L149 WeakPolarHBondContact O-CB 3.23Å; A145-L149 PolarHBondContact O-N 2.78Å; F147-L149 VanDerWaalsContact C-N 3.35Å; F147-L149 PolarHBondContact O-N 3.18Å; L149-I152 PolarHBondContact O-N 2.86Å; L149-A153 WeakPolarHBondContact O-CB 3.28Å; L149-A153 PolarHBondContact O-N 3.41Å; L149-Q248 HydrophobicContact CD2-CG 3.82Å; L149-L249 HydrophobicContact CD1-CD2 4.29Å; L149-L249 HydrophobicContact CD2-CD2 4.24Å; L149-L253 HydrophobicContact CD1-CD1 3.82Å; L149-L253 HydrophobicContact CD1-CD2 3.68Å; L149-L253 HydrophobicContact CD1-CG 3.65Å
150R96.9Very high96.4Very high179 Ų17948.6 Ų48.668%0.67522%0.224SC*.Hα-helixtrans-66.8-37.4177.4-67.6173.7-176.71802.7111.9N146 F147 I148 A153 R154N146-R150 WeakPolarHBondContact O-CG 3.11Å; N146-R150 PolarHBondContact O-N 2.79Å; F147-R150 WeakPolarHBondContact O-CB 3.49Å; F147-R150 PolarHBondContact O-N 2.92Å; I148-R150 PolarHBondContact O-N 2.98Å; R150-A153 PolarHBondContact O-N 3.47Å; R150-R154 WeakPolarHBondContact O-CB 3.38Å; R150-R154 PolarHBondContact O-N 2.92Å
151L95.5Very high96.4Very high12 Ų1249.7 Ų49.76%0.06323%0.229CC..Hα-helixtrans-66.3-45.3176.2-58.3175.6000111.1F147 I148 A153 R154 Y155 M177 L179 Y185F147-L151 HydrophobicContact CD1-CD1 4.14Å; F147-L151 HydrophobicContact CE1-CD1 3.78Å; F147-L151 HydrophobicContact CZ-CD1 4.24Å; F147-L151 PolarHBondContact O-N 2.84Å; I148-L151 WeakPolarHBondContact O-CB 3.42Å; I148-L151 PolarHBondContact O-N 3.49Å; L151-A153 VanDerWaalsContact C-N 3.35Å; L151-A153 PolarHBondContact O-N 3.31Å; L151-R154 VanDerWaalsContact CD2-NH2 3.33Å; L151-R154 PolarHBondContact O-N 2.76Å; L151-Y155 WeakPolarHBondContact O-CB 3.48Å; L151-Y155 PolarHBondContact O-N 2.94Å; L151-M177 HydrophobicContact CD2-CE 4.43Å; L151-L179 HydrophobicContact CD1-CD1 3.75Å; L151-Y185 HydrophobicContact CB-CE2 3.67Å; L151-Y185 HydrophobicContact CD1-CE1 3.92Å; L151-Y185 HydrophobicContact CD1-CE2 4.46Å
152I97.4Very high96.3Very high0 Ų049.7 Ų49.70%023%0.232CC..Hα-helixtrans-60.1-45.4175.2-66.9169000110.8I116 L118 V127 I148 L149 R154 Y155 L156 Y185 L253I116-I152 HydrophobicContact CG1-CD1 4.01Å; I116-I152 HydrophobicContact CG2-CD1 4.35Å; L118-I152 HydrophobicContact CB-CG1 4.4Å; L118-I152 HydrophobicContact CB-CG2 4.2Å; L118-I152 HydrophobicContact CD1-CG2 4.08Å; V127-I152 HydrophobicContact CG2-CG2 4.18Å; I148-I152 HydrophobicContact CG2-CD1 3.86Å; I148-I152 HydrophobicContact CG2-CG1 4.18Å; I148-I152 WeakPolarHBondContact O-CG1 3.22Å; I148-I152 PolarHBondContact O-N 3.09Å; L149-I152 PolarHBondContact O-N 2.86Å; I152-R154 PolarHBondContact O-N 3.3Å; I152-Y155 PolarHBondContact O-N 3.37Å; I152-L156 HydrophobicContact CG2-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.38Å; I152-L156 WeakPolarHBondContact O-CG 3.46Å; I152-L156 PolarHBondContact O-N 2.94Å; I152-Y185 HydrophobicContact CD1-CD2 4.4Å; I152-Y185 HydrophobicContact CG1-CD2 3.7Å; I152-Y185 HydrophobicContact CG1-CE2 4.2Å; I152-L253 HydrophobicContact CG2-CD2 3.84Å
153A98Very high95.8Very high13 Ų1353.2 Ų53.211%0.10725%0.253CS..Hα-helixtrans-59.3-46.6177.600000111.4L149 R150 L151 Y155 L156 D157 S252L149-A153 WeakPolarHBondContact O-CB 3.28Å; L149-A153 PolarHBondContact O-N 3.41Å; R150-A153 PolarHBondContact O-N 3.47Å; L151-A153 VanDerWaalsContact C-N 3.35Å; L151-A153 PolarHBondContact O-N 3.31Å; A153-Y155 PolarHBondContact O-N 2.9Å; A153-L156 PolarHBondContact O-N 2.82Å; A153-D157 WeakPolarHBondContact O-CB 3.36Å; A153-D157 PolarHBondContact O-N 2.8Å; A153-S252 WeakPolarHBondContact CB-O 3.34Å
154R95.7Very high94.9Very high106 Ų10653.2 Ų53.240%0.427%0.266SS..Hα-helixtrans-61.1-42.5175.7-176-177.564.8-174.3-11.1112.3R150 L151 I152 D157 C158 E174 M177R150-R154 WeakPolarHBondContact O-CB 3.38Å; R150-R154 PolarHBondContact O-N 2.92Å; L151-R154 VanDerWaalsContact CD2-NH2 3.33Å; L151-R154 PolarHBondContact O-N 2.76Å; I152-R154 PolarHBondContact O-N 3.3Å; R154-D157 PolarHBondContact O-N 2.88Å; R154-C158 WeakPolarHBondContact O-CB 3.33Å; R154-C158 PolarHBondContact O-N 2.84Å; R154-E174 IonicContact CZ-OE1 2.96Å; R154-E174 IonicContact CZ-OE2 3.75Å; R154-E174 IonicContact NE-OE1 3.83Å; R154-E174 PolarHBondContact NE-OE1 3.48Å; R154-E174 IonicContact NE-OE2 2.92Å; R154-E174 IonicContact NH2-OE1 3.17Å; R154-E174 PolarHBondContact NH2-OE1 3.28Å; R154-E174 IonicContact NH2-OE2 3.41Å; R154-E174 PolarHBondContact NH2-OE2 3.35Å; R154-M177 PolarHBondContact NH2-SD 3.44Å
155Y96.1Very high94.3Very high0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-61.6-46.5177175-105.2000111.4L118 L151 I152 A153 C158 L159 C170 E174 I186L118-Y155 HydrophobicContact CD1-CD1 4.01Å; L118-Y155 HydrophobicContact CD1-CE1 4.18Å; L118-Y155 HydrophobicContact CD2-CE1 4.27Å; L151-Y155 WeakPolarHBondContact O-CB 3.48Å; L151-Y155 PolarHBondContact O-N 2.94Å; I152-Y155 PolarHBondContact O-N 3.37Å; A153-Y155 PolarHBondContact O-N 2.9Å; Y155-C158 WeakPolarHBondContact O-CB 3.4Å; Y155-C158 PolarHBondContact O-N 3.44Å; Y155-L159 HydrophobicContact CD1-CD1 4.14Å; Y155-L159 HydrophobicContact CE1-CD1 3.48Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.48Å; Y155-L159 HydrophobicContact CE1-CG 4.14Å; Y155-L159 HydrophobicContact CE2-CD1 4.46Å; Y155-L159 HydrophobicContact CE2-CD2 4.42Å; Y155-L159 HydrophobicContact CE2-CG 4.33Å; Y155-L159 PolarHBondContact O-N 3.44Å; Y155-C170 HydrophobicContact CD2-CB 4.05Å; Y155-C170 HydrophobicContact CE2-CB 3.91Å; Y155-E174 HydrophobicContact CD2-CG 3.8Å; Y155-E174 HydrophobicContact CG-CG 4.37Å; Y155-I186 HydrophobicContact CD1-CD1 4.08Å; Y155-I186 HydrophobicContact CD2-CD1 3.78Å; Y155-I186 HydrophobicContact CE1-CD1 4.42Å; Y155-I186 HydrophobicContact CE1-CG2 4.17Å; Y155-I186 HydrophobicContact CE2-CD1 4.16Å; Y155-I186 HydrophobicContact CG-CD1 3.73Å
156L97.2Very high93.9Very high6 Ų658.9 Ų58.93%0.03131%0.307CS..Hα-helixtrans-62.6-41.9176.6-73.5171.6000112.3L118 H125 I152 A153 C158 L159 K160 Y198 P201 L253L118-L156 HydrophobicContact CD1-CD1 4.35Å; L118-L156 HydrophobicContact CD1-CD2 3.63Å; L118-L156 HydrophobicContact CD1-CG 3.92Å; H125-L156 HydrophobicContact CB-CD2 4.45Å; I152-L156 HydrophobicContact CG2-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.38Å; I152-L156 WeakPolarHBondContact O-CG 3.46Å; I152-L156 PolarHBondContact O-N 2.94Å; A153-L156 PolarHBondContact O-N 2.82Å; L156-C158 VanDerWaalsContact C-N 3.33Å; L156-L159 PolarHBondContact O-N 2.89Å; L156-K160 WeakPolarHBondContact O-CB 3.49Å; L156-K160 PolarHBondContact O-N 3.09Å; L156-Y198 HydrophobicContact CB-CE2 4.42Å; L156-Y198 HydrophobicContact CD2-CE2 4.45Å; L156-Y198 WeakPolarHBondContact O-CD2 3.36Å; L156-P201 HydrophobicContact CD1-CB 4.38Å; L156-P201 HydrophobicContact CD1-CG 3.99Å; L156-L253 HydrophobicContact CD1-CD2 4.02Å
157D96.2Very high93.5Very high86 Ų8658 Ų5846%0.4630%0.303SS..Hα-helixtrans-63.6-40175-78.6-24.4000111.6A153 R154 K160 L161A153-D157 WeakPolarHBondContact O-CB 3.36Å; A153-D157 PolarHBondContact O-N 2.8Å; R154-D157 PolarHBondContact O-N 2.88Å; D157-K160 PolarHBondContact O-N 3.42Å; D157-L161 WeakPolarHBondContact O-CG 3.38Å; D157-L161 PolarHBondContact O-N 3.04Å; D157-L161 VanDerWaalsContact O-N 3.12Å
158C96.3Very high93.2Very high31 Ų3159.2 Ų59.221%0.20931%0.308CS..Hα-helixtrans-59.9-48.6173.4-175.10000111.1R154 Y155 L156 K160 L161 S162 C170R154-C158 WeakPolarHBondContact O-CB 3.33Å; R154-C158 PolarHBondContact O-N 2.84Å; Y155-C158 WeakPolarHBondContact O-CB 3.4Å; Y155-C158 PolarHBondContact O-N 3.44Å; L156-C158 VanDerWaalsContact C-N 3.33Å; C158-K160 VanDerWaalsContact C-N 3.31Å; C158-K160 PolarHBondContact O-N 2.92Å; C158-L161 PolarHBondContact O-N 3.23Å; C158-S162 VanDerWaalsContact O-CB 3.28Å; C158-S162 WeakPolarHBondContact O-CB 3.3Å; C158-S162 PolarHBondContact O-N 2.75Å; C158-S162 PolarHBondContact O-OG 2.73Å; C158-C170 HydrophobicContact CB-CB 3.76Å; C158-C170 WeakPolarHBondContact CB-SG 3.32Å; C158-C170 VanDerWaalsContact SG-CA 3.51Å; C158-C170 WeakPolarHBondContact SG-CB 3.47Å; C158-C170 CovalentContact SG-SG 2.04Å; C158-C170 PolarHBondContact SG-SG 2.88Å
159L96Very high93.1Very high5 Ų561 Ų613%0.02632%0.321CS..Hα-helixtrans-60.3-41.6177.2-70.5-177.4000111.7Y155 L156 L161 S162 A167 C170 Y198Y155-L159 HydrophobicContact CD1-CD1 4.14Å; Y155-L159 HydrophobicContact CE1-CD1 3.48Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.48Å; Y155-L159 HydrophobicContact CE1-CG 4.14Å; Y155-L159 HydrophobicContact CE2-CD1 4.46Å; Y155-L159 HydrophobicContact CE2-CD2 4.42Å; Y155-L159 HydrophobicContact CE2-CG 4.33Å; Y155-L159 PolarHBondContact O-N 3.44Å; L156-L159 PolarHBondContact O-N 2.89Å; L159-L161 VanDerWaalsContact C-N 3.27Å; L159-L161 PolarHBondContact O-N 3.42Å; L159-S162 PolarHBondContact O-N 2.83Å; L159-A167 HydrophobicContact CD2-CB 4.11Å; L159-C170 HydrophobicContact CD2-CB 4.04Å; L159-Y198 HydrophobicContact CB-CD2 4.32Å
160K94.7Very high92.9Very high109 Ų10961.1 Ų61.147%0.47432%0.322SS..Hα-helixtrans-61.7-34.2-179.8-173.2179.3177.1-174.70112.9L156 D157 C158 Y198L156-K160 WeakPolarHBondContact O-CB 3.49Å; L156-K160 PolarHBondContact O-N 3.09Å; D157-K160 PolarHBondContact O-N 3.42Å; C158-K160 VanDerWaalsContact C-N 3.31Å; C158-K160 PolarHBondContact O-N 2.92Å; K160-Y198 HydrophobicContact CB-CD1 4.24Å; K160-Y198 HydrophobicContact CB-CD2 3.75Å; K160-Y198 HydrophobicContact CB-CE1 4.44Å; K160-Y198 HydrophobicContact CB-CE2 3.97Å; K160-Y198 HydrophobicContact CB-CG 3.89Å; K160-Y198 HydrophobicContact CD-CE1 4.3Å; K160-Y198 HydrophobicContact CD-CE2 4.41Å; K160-Y198 HydrophobicContact CG-CD1 4.15Å; K160-Y198 HydrophobicContact CG-CD2 4.43Å; K160-Y198 HydrophobicContact CG-CE1 4.11Å; K160-Y198 HydrophobicContact CG-CE2 4.39Å; K160-Y198 HydrophobicContact CG-CG 4.31Å
161L94.3Very high92.7Very high153 Ų15354.7 Ų54.780%0.80130%0.298SS*.Hα-helixtrans-92.6-7.4179.4-62.8175.3000113.2D157 C158 L159D157-L161 WeakPolarHBondContact O-CG 3.38Å; D157-L161 PolarHBondContact O-N 3.04Å; D157-L161 VanDerWaalsContact O-N 3.12Å; C158-L161 PolarHBondContact O-N 3.23Å; L159-L161 VanDerWaalsContact C-N 3.27Å; L159-L161 PolarHBondContact O-N 3.42Å
162S92.8Very high92.4Very high36 Ų3657.6 Ų57.625%0.25232%0.319SS..  trans-86.8146.2-174-71.50000112.8C158 L159 C170C158-S162 VanDerWaalsContact O-CB 3.28Å; C158-S162 WeakPolarHBondContact O-CB 3.3Å; C158-S162 PolarHBondContact O-N 2.75Å; C158-S162 PolarHBondContact O-OG 2.73Å; L159-S162 PolarHBondContact O-N 2.83Å; S162-C170 PolarHBondContact OG-SG 2.9Å
163T87.1Confident92.1Very high73 Ų7363.9 Ų63.945%0.44835%0.346SS..  trans-78.8159164.158.50000110.3S165 N166 A167T163-S165 PolarHBondContact O-N 2.75Å; T163-S165 VanDerWaalsContact O-N 3.08Å; T163-S165 PolarHBondContact OG1-OG 2.96Å; T163-N166 PolarHBondContact O-N 3.43Å; T163-A167 PolarHBondContact O-N 3.04Å
164P79.7Confident91.6Very high125 Ų12563.7 Ų63.781%0.81234%0.343SS*.THydrogen-bonded Turntrans-53.4-30.9175.7-28.235.6000114.2
165S82Confident91.1Very high97 Ų9762 Ų6268%0.67834%0.342SS*.THydrogen-bonded Turntrans-71.1-29.3178.462.10000113.7T163T163-S165 PolarHBondContact O-N 2.75Å; T163-S165 VanDerWaalsContact O-N 3.08Å; T163-S165 PolarHBondContact OG1-OG 2.96Å
166N88.7Confident90.5Very high93 Ų9365.2 Ų65.250%0.49738%0.375SS..THydrogen-bonded Turntrans-112.7-7.8-169.7-66.214.8000112.9T163 K168 S169T163-N166 PolarHBondContact O-N 3.43Å; N166-K168 VanDerWaalsContact C-N 3.27Å; N166-K168 PolarHBondContact O-N 3.2Å; N166-S169 WeakPolarHBondContact O-CB 3.42Å; N166-S169 PolarHBondContact O-N 3.35Å; N166-S169 PolarHBondContact O-OG 3.36Å
167A88.9Confident89.7Confident3 Ų369.2 Ų69.23%0.02540%0.395CS..Hα-helixtrans-61.4-32.2-175.500000113.7L159 T163 S169 C170 F196L159-A167 HydrophobicContact CD2-CB 4.11Å; T163-A167 PolarHBondContact O-N 3.04Å; A167-S169 PolarHBondContact O-N 2.91Å; A167-C170 VanDerWaalsContact O-CB 3.27Å; A167-C170 WeakPolarHBondContact O-CB 3.47Å; A167-C170 PolarHBondContact O-N 3.45Å; A167-F196 HydrophobicContact CB-CB 3.91Å; A167-F196 WeakPolarHBondContact CB-O 3.41Å
168K90.5Very high88.8Confident111 Ų11166.9 Ų66.948%0.48339%0.391SS..Hα-helixtrans-59.4-28.6172.5-72.4-167.7174.3-164.20112.9N166 C170 Y171 S172 F196N166-K168 VanDerWaalsContact C-N 3.27Å; N166-K168 PolarHBondContact O-N 3.2Å; K168-C170 PolarHBondContact O-N 3.47Å; K168-Y171 PolarHBondContact O-N 2.92Å; K168-S172 PolarHBondContact O-N 3.19Å; K168-S172 VanDerWaalsContact O-N 3.11Å; K168-S172 PolarHBondContact O-OG 2.95Å; K168-F196 HydrophobicContact CD-CE2 4.46Å; K168-F196 HydrophobicContact CG-CD1 4.19Å; K168-F196 HydrophobicContact CG-CD2 3.88Å; K168-F196 HydrophobicContact CG-CE1 4.4Å; K168-F196 HydrophobicContact CG-CE2 4.11Å; K168-F196 HydrophobicContact CG-CG 3.92Å; K168-F196 HydrophobicContact CG-CZ 4.35Å
169S92.7Very high87.7Confident44 Ų4467.5 Ų67.531%0.30839%0.392SS..Hα-helixtrans-66-25.3176.678.20000112.9N166 A167 Y171 K173N166-S169 WeakPolarHBondContact O-CB 3.42Å; N166-S169 PolarHBondContact O-N 3.35Å; N166-S169 PolarHBondContact O-OG 3.36Å; A167-S169 PolarHBondContact O-N 2.91Å; S169-Y171 VanDerWaalsContact C-N 3.33Å; S169-K173 WeakPolarHBondContact O-CB 3.46Å; S169-K173 WeakPolarHBondContact O-CD 3.1Å; S169-K173 WeakPolarHBondContact O-CG 3.37Å; S169-K173 PolarHBondContact O-N 3.34Å
170C93.7Very high86.6Confident1 Ų168.3 Ų68.31%0.00740%0.398CS..Hα-helixtrans-61.1-45.9173.1-62.50000110.3Y155 C158 L159 S162 A167 K168 K173 E174Y155-C170 HydrophobicContact CD2-CB 4.05Å; Y155-C170 HydrophobicContact CE2-CB 3.91Å; C158-C170 HydrophobicContact CB-CB 3.76Å; C158-C170 WeakPolarHBondContact CB-SG 3.32Å; C158-C170 VanDerWaalsContact SG-CA 3.51Å; C158-C170 WeakPolarHBondContact SG-CB 3.47Å; C158-C170 CovalentContact SG-SG 2.04Å; C158-C170 PolarHBondContact SG-SG 2.88Å; L159-C170 HydrophobicContact CD2-CB 4.04Å; S162-C170 PolarHBondContact OG-SG 2.9Å; A167-C170 VanDerWaalsContact O-CB 3.27Å; A167-C170 WeakPolarHBondContact O-CB 3.47Å; A167-C170 PolarHBondContact O-N 3.45Å; K168-C170 PolarHBondContact O-N 3.47Å; C170-K173 PolarHBondContact O-N 3.14Å; C170-E174 WeakPolarHBondContact O-CG 3.24Å; C170-E174 PolarHBondContact O-N 2.79Å
171Y92Very high85.5Confident45 Ų4569.9 Ų69.918%0.17641%0.412CS..Hα-helixtrans-68.7-44178.9179.1-113.5000112.1K168 S169 K173 E174 L175 I186 V188 V190 F196K168-Y171 PolarHBondContact O-N 2.92Å; S169-Y171 VanDerWaalsContact C-N 3.33Å; Y171-K173 VanDerWaalsContact C-N 3.26Å; Y171-K173 PolarHBondContact O-N 3.09Å; Y171-E174 PolarHBondContact O-N 2.85Å; Y171-E174 VanDerWaalsContact O-N 3.08Å; Y171-L175 HydrophobicContact CD1-CD1 3.86Å; Y171-L175 HydrophobicContact CD1-CG 4.37Å; Y171-L175 HydrophobicContact CE1-CD1 3.37Å; Y171-L175 HydrophobicContact CE1-CD2 4.44Å; Y171-L175 HydrophobicContact CE1-CG 3.98Å; Y171-L175 HydrophobicContact CE2-CD2 4.34Å; Y171-L175 HydrophobicContact CE2-CG 4.25Å; Y171-L175 PolarHBondContact O-N 3Å; Y171-I186 HydrophobicContact CD2-CB 4.46Å; Y171-I186 HydrophobicContact CD2-CG2 3.86Å; Y171-I186 HydrophobicContact CE2-CB 4.2Å; Y171-I186 HydrophobicContact CE2-CG2 3.86Å; Y171-V188 HydrophobicContact CD2-CG2 3.99Å; Y171-V188 HydrophobicContact CE2-CG2 3.7Å; Y171-V190 HydrophobicContact CD1-CG1 4.4Å; Y171-V190 HydrophobicContact CE1-CG1 3.63Å; Y171-F196 HydrophobicContact CD1-CE1 4.16Å; Y171-F196 HydrophobicContact CD1-CZ 4.49Å; Y171-F196 AromaticContact CG-CE1 3.96Å; Y171-F196 HydrophobicContact CG-CE1 3.96Å
172S90.9Very high84.5Confident72 Ų7268.1 Ų68.150%0.50340%0.4SS..Hα-helixtrans-60.3-34.7176.8-54.20000113.1K168 G176K168-S172 PolarHBondContact O-N 3.19Å; K168-S172 VanDerWaalsContact O-N 3.11Å; K168-S172 PolarHBondContact O-OG 2.95Å; S172-G176 PolarHBondContact O-N 3.27Å
173K89.8Confident83.8Confident133 Ų13368.4 Ų68.458%0.57840%0.396SS*.Hα-helixtrans-65.3-39.8174.5-75.7169-174.31760112.2S169 C170 Y171 G176S169-K173 WeakPolarHBondContact O-CB 3.46Å; S169-K173 WeakPolarHBondContact O-CD 3.1Å; S169-K173 WeakPolarHBondContact O-CG 3.37Å; S169-K173 PolarHBondContact O-N 3.34Å; C170-K173 PolarHBondContact O-N 3.14Å; Y171-K173 VanDerWaalsContact C-N 3.26Å; Y171-K173 PolarHBondContact O-N 3.09Å; K173-G176 PolarHBondContact O-N 2.84Å
174E88.7Confident83.8Confident9 Ų967.5 Ų67.54%0.04239%0.391CS..Hα-helixtrans-69.4-40.1177.9-63.2-56.3154.900111.6R154 Y155 C170 Y171 G176 M177 Y185 I186R154-E174 IonicContact CZ-OE1 2.96Å; R154-E174 IonicContact CZ-OE2 3.75Å; R154-E174 IonicContact NE-OE1 3.83Å; R154-E174 PolarHBondContact NE-OE1 3.48Å; R154-E174 IonicContact NE-OE2 2.92Å; R154-E174 IonicContact NH2-OE1 3.17Å; R154-E174 PolarHBondContact NH2-OE1 3.28Å; R154-E174 IonicContact NH2-OE2 3.41Å; R154-E174 PolarHBondContact NH2-OE2 3.35Å; Y155-E174 HydrophobicContact CD2-CG 3.8Å; Y155-E174 HydrophobicContact CG-CG 4.37Å; C170-E174 WeakPolarHBondContact O-CG 3.24Å; C170-E174 PolarHBondContact O-N 2.79Å; Y171-E174 PolarHBondContact O-N 2.85Å; Y171-E174 VanDerWaalsContact O-N 3.08Å; E174-G176 VanDerWaalsContact C-N 3.34Å; E174-G176 PolarHBondContact O-N 3.21Å; E174-M177 PolarHBondContact O-N 3.33Å; E174-Y185 PolarHBondContact OE2-OH 2.8Å; E174-I186 HydrophobicContact CB-CD1 3.78Å; E174-I186 HydrophobicContact CG-CD1 3.77Å
175L84.9Confident84.4Confident69 Ų6961.7 Ų61.736%0.36135%0.353SS..Hα-helixtrans-61.3-40.9171.9-72.1178000112.3Y171 M177 G178 S180Y171-L175 HydrophobicContact CD1-CD1 3.86Å; Y171-L175 HydrophobicContact CD1-CG 4.37Å; Y171-L175 HydrophobicContact CE1-CD1 3.37Å; Y171-L175 HydrophobicContact CE1-CD2 4.44Å; Y171-L175 HydrophobicContact CE1-CG 3.98Å; Y171-L175 HydrophobicContact CE2-CD2 4.34Å; Y171-L175 HydrophobicContact CE2-CG 4.25Å; Y171-L175 PolarHBondContact O-N 3Å; L175-M177 PolarHBondContact O-N 3.29Å; L175-G178 PolarHBondContact O-N 2.97Å; L175-S180 WeakPolarHBondContact CD2-OG 3.15Å
176G82.2Confident85Confident69 Ų6957.9 Ų57.971%0.71133%0.325SS*.THydrogen-bonded Turntrans-62.7-11.1-179.500000114.8S172 K173 E174S172-G176 PolarHBondContact O-N 3.27Å; K173-G176 PolarHBondContact O-N 2.84Å; E174-G176 VanDerWaalsContact C-N 3.34Å; E174-G176 PolarHBondContact O-N 3.21Å
177M81.5Confident85.2Confident90 Ų9056.5 Ų56.544%0.44332%0.318SS..THydrogen-bonded Turntrans-84.8-8.4174.4-65-176.968.900113.6L151 R154 E174 L175 L179L151-M177 HydrophobicContact CD2-CE 4.43Å; R154-M177 PolarHBondContact NH2-SD 3.44Å; E174-M177 PolarHBondContact O-N 3.33Å; L175-M177 PolarHBondContact O-N 3.29Å; M177-L179 HydrophobicContact CB-CD1 4.4Å; M177-L179 HydrophobicContact CE-CD1 4.33Å; M177-L179 PolarHBondContact O-N 3.2Å; M177-L179 VanDerWaalsContact O-N 3.1Å
178G76.1Confident85.4Confident37 Ų3757.1 Ų57.138%0.38132%0.322SS..SBendtrans71.6-4.6177.700000115.5L175 S180 D181L175-G178 PolarHBondContact O-N 2.97Å; G178-S180 VanDerWaalsContact C-N 3.31Å; G178-S180 PolarHBondContact O-N 3.44Å; G178-D181 PolarHBondContact O-N 3.41Å
179L74.9Confident85.6Confident44 Ų4455.8 Ų55.823%0.2332%0.319CS..Hα-helixtrans-72.3-25.2-179.8-66.6168.4000113F147 L151 M177 D181 E182 F183F147-L179 HydrophobicContact CE1-CD1 3.64Å; F147-L179 HydrophobicContact CE1-CD2 4.18Å; F147-L179 HydrophobicContact CZ-CD1 3.74Å; L151-L179 HydrophobicContact CD1-CD1 3.75Å; M177-L179 HydrophobicContact CB-CD1 4.4Å; M177-L179 HydrophobicContact CE-CD1 4.33Å; M177-L179 PolarHBondContact O-N 3.2Å; M177-L179 VanDerWaalsContact O-N 3.1Å; L179-D181 PolarHBondContact O-N 3.23Å; L179-E182 PolarHBondContact O-N 3.09Å; L179-F183 PolarHBondContact O-N 2.87Å
180S71.4Confident85.5Confident22 Ų2256.6 Ų56.615%0.15432%0.322CS..Hα-helixtrans-64.5-23.9177.550.70000113.3L175 G178 F183 P184L175-S180 WeakPolarHBondContact CD2-OG 3.15Å; G178-S180 VanDerWaalsContact C-N 3.31Å; G178-S180 PolarHBondContact O-N 3.44Å; S180-F183 CarbonylContact O-C 3.57Å; S180-P184 WeakPolarHBondContact O-CA 3.47Å
181D73Confident85.4Confident141 Ų14163.1 Ų63.175%0.75436%0.357SS*.Hα-helixtrans-76.5-35.1-178-61.2-13.7000111.1G178 L179G178-D181 PolarHBondContact O-N 3.41Å; L179-D181 PolarHBondContact O-N 3.23Å
182E72.2Confident85.5Confident117 Ų11762.9 Ų62.955%0.54736%0.359SS..Hα-helixtrans-84-41.5175.8-163.5-174.8167.700111.6L179L179-E182 PolarHBondContact O-N 3.09Å
183F77.7Confident85.5Confident42 Ų4263.9 Ų63.918%0.18436%0.364CS..  trans-137.696-177.9-59.1-67.7000110.5P114 K144 I148 L179 S180 Y185P114-F183 HydrophobicContact CB-CB 4.29Å; K144-F183 HydrophobicContact CD-CZ 4.41Å; I148-F183 HydrophobicContact CD1-CB 4.42Å; L179-F183 PolarHBondContact O-N 2.87Å; S180-F183 CarbonylContact O-C 3.57Å; F183-Y185 VanDerWaalsContact C-N 3.32Å; F183-Y185 WeakPolarHBondContact O-CD1 3.2Å; F183-Y185 PolarHBondContact O-N 2.85Å
184P88.2Confident85.6Confident53 Ų5359.3 Ų59.334%0.34435%0.348SS..  trans-72.485.5179.929.1-34.8000110.7S180S180-P184 WeakPolarHBondContact O-CA 3.47Å
185Y93.3Very high85.9Confident3 Ų358.9 Ų58.91%0.01235%0.347CS..  trans-90.6-4.6-176.271-90.1000114.5Y117 L118 I148 L151 I152 E174 F183Y117-Y185 CarbonylContact C-O 3.59Å; Y117-Y185 WeakPolarHBondContact CA-O 3.37Å; Y117-Y185 WeakPolarHBondContact CB-O 3.41Å; L118-Y185 PolarHBondContact N-O 3.07Å; I148-Y185 VanDerWaalsContact CG2-CB 3.41Å; I148-Y185 HydrophobicContact CG2-CD1 4.33Å; I148-Y185 HydrophobicContact CG2-CD2 3.77Å; I148-Y185 HydrophobicContact CG2-CG 3.58Å; L151-Y185 HydrophobicContact CB-CE2 3.67Å; L151-Y185 HydrophobicContact CD1-CE1 3.92Å; L151-Y185 HydrophobicContact CD1-CE2 4.46Å; I152-Y185 HydrophobicContact CD1-CD2 4.4Å; I152-Y185 HydrophobicContact CG1-CD2 3.7Å; I152-Y185 HydrophobicContact CG1-CE2 4.2Å; E174-Y185 PolarHBondContact OE2-OH 2.8Å; F183-Y185 VanDerWaalsContact C-N 3.32Å; F183-Y185 WeakPolarHBondContact O-CD1 3.2Å; F183-Y185 PolarHBondContact O-N 2.85Å
186I94Very high86.3Confident18 Ų1856.2 Ų56.29%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-118.398.2172.3-55.6-178.9000107.9L118 Y155 Y171 E174 V188L118-I186 HydrophobicContact CD2-CG2 4.31Å; Y155-I186 HydrophobicContact CD1-CD1 4.08Å; Y155-I186 HydrophobicContact CD2-CD1 3.78Å; Y155-I186 HydrophobicContact CE1-CD1 4.42Å; Y155-I186 HydrophobicContact CE1-CG2 4.17Å; Y155-I186 HydrophobicContact CE2-CD1 4.16Å; Y155-I186 HydrophobicContact CG-CD1 3.73Å; Y171-I186 HydrophobicContact CD2-CB 4.46Å; Y171-I186 HydrophobicContact CD2-CG2 3.86Å; Y171-I186 HydrophobicContact CE2-CB 4.2Å; Y171-I186 HydrophobicContact CE2-CG2 3.86Å; E174-I186 HydrophobicContact CB-CD1 3.78Å; E174-I186 HydrophobicContact CG-CD1 3.77Å; I186-V188 HydrophobicContact CG2-CB 4.46Å; I186-V188 HydrophobicContact CG2-CG1 3.63Å; I186-V188 HydrophobicContact CG2-CG2 4.05Å
187D93.3Very high86.8Confident63 Ų6356.8 Ų56.834%0.33732%0.322SS..EExtended strand (participates in β ladder)trans-95.296.8175.6-178.616.7000108.9K81 L118 W119 S120K81-D187 IonicContact NZ-OD2 2.88Å; K81-D187 PolarHBondContact NZ-OD2 3.32Å; L118-D187 PolarHBondContact O-N 3.08Å; W119-D187 CarbonylContact C-O 3.57Å; W119-D187 WeakPolarHBondContact CA-O 3.46Å; W119-D187 HydrophobicContact CB-CB 4.46Å; W119-D187 VanDerWaalsContact CD1-OD2 3.27Å; S120-D187 PolarHBondContact N-O 2.81Å
188V93.3Very high87.5Confident17 Ų1755.6 Ų55.610%0.10331%0.313CS..  trans-132.3147.5-178-66.50000110.4L118 Y171 I186 V190L118-V188 HydrophobicContact CD2-CG1 4.12Å; Y171-V188 HydrophobicContact CD2-CG2 3.99Å; Y171-V188 HydrophobicContact CE2-CG2 3.7Å; I186-V188 HydrophobicContact CG2-CB 4.46Å; I186-V188 HydrophobicContact CG2-CG1 3.63Å; I186-V188 HydrophobicContact CG2-CG2 4.05Å; V188-V190 HydrophobicContact CG2-CG1 4.46Å; V188-V190 PolarHBondContact O-N 3.13Å
189D93.5Very high88.4Confident82 Ų8253.8 Ų53.844%0.43929%0.294SS..  trans-80.6108.2165.9-177.1-5.9000109.4N191 D192D189-N191 PolarHBondContact O-N 2.75Å; D189-N191 WeakPolarHBondContact OD1-CB 3.3Å; D189-N191 PolarHBondContact OD1-N 2.67Å; D189-D192 HydrophobicContact CB-CB 3.86Å; D189-D192 PolarHBondContact O-N 3.17Å; D189-D192 VanDerWaalsContact O-N 3.13Å
190V90.9Very high89.4Confident61 Ų6155.1 Ų55.137%0.3730%0.296SS..THydrogen-bonded Turntrans-65-21.1-179.6-640000113.8Y171 V188Y171-V190 HydrophobicContact CD1-CG1 4.4Å; Y171-V190 HydrophobicContact CE1-CG1 3.63Å; V188-V190 HydrophobicContact CG2-CG1 4.46Å; V188-V190 PolarHBondContact O-N 3.13Å
191N92.5Very high90.7Very high139 Ų13954 Ų5474%0.74329%0.289SS*.THydrogen-bonded Turntrans-88.9-14.6178.3-58.9-54.2000112.3D189 P193D189-N191 PolarHBondContact O-N 2.75Å; D189-N191 WeakPolarHBondContact OD1-CB 3.3Å; D189-N191 PolarHBondContact OD1-N 2.67Å; N191-P193 WeakPolarHBondContact O-CD 3.44Å
192D92.4Very high91.9Very high40 Ų4047.3 Ų47.321%0.21425%0.253CS..  trans-93.1108.7176.3-179.51.6000110.8D189 S194 S195D189-D192 HydrophobicContact CB-CB 3.86Å; D189-D192 PolarHBondContact O-N 3.17Å; D189-D192 VanDerWaalsContact O-N 3.13Å; D192-S194 PolarHBondContact O-N 3.22Å; D192-S194 VanDerWaalsContact O-N 3.15Å; D192-S194 VanDerWaalsContact OD1-CB 3.24Å; D192-S194 WeakPolarHBondContact OD1-CB 3.46Å; D192-S194 PolarHBondContact OD1-N 3.37Å; D192-S194 PolarHBondContact OD1-OG 2.88Å; D192-S194 PolarHBondContact OD2-OG 3.42Å; D192-S195 WeakPolarHBondContact O-CB 3.44Å; D192-S195 PolarHBondContact O-N 2.9Å; D192-S195 VanDerWaalsContact O-N 3.08Å
193P91.6Very high93.2Very high92 Ų9241.8 Ų41.860%0.59723%0.227SC*.G310 helixtrans-59.1-27.3177.9-2234.2000113.5N191 S195 F196N191-P193 WeakPolarHBondContact O-CD 3.44Å; P193-S195 PolarHBondContact O-N 2.93Å; P193-F196 PolarHBondContact O-N 3.35Å; P193-F196 VanDerWaalsContact O-N 3.14Å
194S92.9Very high94.2Very high37 Ų3739.8 Ų39.826%0.25922%0.218SC..G310 helixtrans-66.6-24.618082.80000112.1G123 D192 F196 V197G123-S194 WeakPolarHBondContact CA-O 3.46Å; G123-S194 VanDerWaalsContact CA-OG 3.26Å; G123-S194 WeakPolarHBondContact CA-OG 3.43Å; G123-S194 PolarHBondContact N-OG 3Å; G123-S194 VanDerWaalsContact N-OG 3.09Å; D192-S194 PolarHBondContact O-N 3.22Å; D192-S194 VanDerWaalsContact O-N 3.15Å; D192-S194 VanDerWaalsContact OD1-CB 3.24Å; D192-S194 WeakPolarHBondContact OD1-CB 3.46Å; D192-S194 PolarHBondContact OD1-N 3.37Å; D192-S194 PolarHBondContact OD1-OG 2.88Å; D192-S194 PolarHBondContact OD2-OG 3.42Å; S194-F196 PolarHBondContact O-N 3.44Å; S194-F196 VanDerWaalsContact O-N 3.16Å; S194-V197 PolarHBondContact O-N 2.9Å; S194-V197 VanDerWaalsContact O-N 3.1Å
195S94Very high94.7Very high1 Ų137.2 Ų37.21%0.00720%0.202CC..G310 helixtrans-65.7-14.4174.8-680000113.9S120 H125 D192 P193S120-S195 PolarHBondContact OG-OG 3.13Å; H125-S195 PolarHBondContact CE1-O 3.49Å; D192-S195 WeakPolarHBondContact O-CB 3.44Å; D192-S195 PolarHBondContact O-N 2.9Å; D192-S195 VanDerWaalsContact O-N 3.08Å; P193-S195 PolarHBondContact O-N 2.93Å
196F94.3Very high95Very high12 Ų1237.1 Ų37.15%0.05320%0.201CC..G310 helixtrans-108.715.4177-53-78.2000112.5A167 K168 Y171 P193 S194A167-F196 HydrophobicContact CB-CB 3.91Å; A167-F196 WeakPolarHBondContact CB-O 3.41Å; K168-F196 HydrophobicContact CD-CE2 4.46Å; K168-F196 HydrophobicContact CG-CD1 4.19Å; K168-F196 HydrophobicContact CG-CD2 3.88Å; K168-F196 HydrophobicContact CG-CE1 4.4Å; K168-F196 HydrophobicContact CG-CE2 4.11Å; K168-F196 HydrophobicContact CG-CG 3.92Å; K168-F196 HydrophobicContact CG-CZ 4.35Å; Y171-F196 HydrophobicContact CD1-CE1 4.16Å; Y171-F196 HydrophobicContact CD1-CZ 4.49Å; Y171-F196 AromaticContact CG-CE1 3.96Å; Y171-F196 HydrophobicContact CG-CE1 3.96Å; P193-F196 PolarHBondContact O-N 3.35Å; P193-F196 VanDerWaalsContact O-N 3.14Å; S194-F196 PolarHBondContact O-N 3.44Å; S194-F196 VanDerWaalsContact O-N 3.16Å
197V93Very high95.2Very high81 Ų8136.6 Ų36.649%0.49120%0.198SC..SBendtrans-103.1124172.2179.40000108.1H125 S194 S199H125-V197 PolarHBondContact CE1-O 3.28Å; H125-V197 PolarHBondContact NE2-O 3.09Å; S194-V197 PolarHBondContact O-N 2.9Å; S194-V197 VanDerWaalsContact O-N 3.1Å; V197-S199 PolarHBondContact O-N 2.73Å
198Y95Very high95.5Very high65 Ų6533.6 Ų33.626%0.25518%0.182SC..  trans-56.6115.6179.9175.9-99.2000111.7L156 L159 K160 R200L156-Y198 HydrophobicContact CB-CE2 4.42Å; L156-Y198 HydrophobicContact CD2-CE2 4.45Å; L156-Y198 WeakPolarHBondContact O-CD2 3.36Å; L159-Y198 HydrophobicContact CB-CD2 4.32Å; K160-Y198 HydrophobicContact CB-CD1 4.24Å; K160-Y198 HydrophobicContact CB-CD2 3.75Å; K160-Y198 HydrophobicContact CB-CE1 4.44Å; K160-Y198 HydrophobicContact CB-CE2 3.97Å; K160-Y198 HydrophobicContact CB-CG 3.89Å; K160-Y198 HydrophobicContact CD-CE1 4.3Å; K160-Y198 HydrophobicContact CD-CE2 4.41Å; K160-Y198 HydrophobicContact CG-CD1 4.15Å; K160-Y198 HydrophobicContact CG-CD2 4.43Å; K160-Y198 HydrophobicContact CG-CE1 4.11Å; K160-Y198 HydrophobicContact CG-CE2 4.39Å; K160-Y198 HydrophobicContact CG-CG 4.31Å; Y198-R200 HydrophobicContact CE1-CB 4.35Å
199S95.2Very high95.7Very high0 Ų032.8 Ų32.80%018%0.177CC..  trans-109.9128.3162.7169.40000109.2G123 H125 V197 R256G123-S199 WeakPolarHBondContact O-CB 3.48Å; H125-S199 PolarHBondContact CD2-N 3.27Å; H125-S199 PolarHBondContact CD2-O 2.9Å; H125-S199 VanDerWaalsContact CD2-O 3.25Å; H125-S199 PolarHBondContact NE2-N 2.78Å; V197-S199 PolarHBondContact O-N 2.73Å; S199-R256 PolarHBondContact OG-NH2 2.81Å
200R96.7Very high96Very high71 Ų7131.8 Ų31.827%0.26817%0.168SC..  trans-56.2126.1174.3-173.1173.3173.1-159.1-5.6109.1Y198 R254 P255 R256 T279Y198-R200 HydrophobicContact CE1-CB 4.35Å; R200-R254 WeakPolarHBondContact CG-O 3.42Å; R200-R254 PolarHBondContact NE-O 2.87Å; R200-P255 VanDerWaalsContact CZ-O 3.29Å; R200-P255 PolarHBondContact NE-O 2.82Å; R200-P255 PolarHBondContact NH2-O 2.7Å; R200-R256 HydrophobicContact CB-CB 4.37Å; R200-R256 HydrophobicContact CB-CG 4.46Å; R200-R256 HydrophobicContact CG-CB 3.93Å; R200-R256 HydrophobicContact CG-CG 4.39Å; R200-R256 WeakPolarHBondContact O-CD 3.37Å; R200-R256 WeakPolarHBondContact O-CG 3.34Å; R200-R256 PolarHBondContact O-NE 2.82Å; R200-T279 PolarHBondContact NH2-O 3.36Å
201P98.2Very high96.3Very high0 Ų029.3 Ų29.30%015%0.152CC..  trans-74.9158.2-160.227.5-35.6000113.2H125 V127 L156 L253 P255 R256H125-P201 VanDerWaalsContact O-CA 3.29Å; H125-P201 WeakPolarHBondContact O-CA 3.43Å; V127-P201 HydrophobicContact CG2-CB 4.07Å; L156-P201 HydrophobicContact CD1-CB 4.38Å; L156-P201 HydrophobicContact CD1-CG 3.99Å; P201-L253 HydrophobicContact CG-CB 4.33Å; P201-L253 WeakPolarHBondContact CG-O 3.41Å; P201-P255 CarbonylContact O-C 3.44Å; P201-P255 VanDerWaalsContact O-CA 3.26Å; P201-P255 WeakPolarHBondContact O-CA 3.2Å; P201-P255 WeakPolarHBondContact O-CB 3.5Å; P201-R256 PolarHBondContact O-N 2.96Å
202V98.8Very high96.5Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-107126168-179.30000108.8H125 F126 V127 L204 R256 L257 L259 I303H125-V202 PolarHBondContact O-N 2.91Å; F126-V202 CarbonylContact C-O 3.5Å; F126-V202 VanDerWaalsContact CA-O 3.29Å; F126-V202 WeakPolarHBondContact CA-O 3.04Å; F126-V202 HydrophobicContact CD1-CB 3.69Å; F126-V202 HydrophobicContact CD1-CG1 4.01Å; F126-V202 HydrophobicContact CD1-CG2 4.34Å; F126-V202 HydrophobicContact CE1-CB 4Å; F126-V202 HydrophobicContact CE1-CG1 4.2Å; F126-V202 HydrophobicContact CE1-CG2 4.2Å; V127-V202 PolarHBondContact N-O 2.85Å; V202-L204 HydrophobicContact CG1-CD2 4.05Å; V202-R256 HydrophobicContact CG2-CG 4.33Å; V202-L257 CarbonylContact C-O 3.52Å; V202-L257 VanDerWaalsContact CA-O 3.28Å; V202-L257 WeakPolarHBondContact CA-O 3.45Å; V202-L257 HydrophobicContact CG1-CB 4.08Å; V202-L257 HydrophobicContact CG1-CD2 4.06Å; V202-L257 HydrophobicContact CG1-CG 4.04Å; V202-L257 HydrophobicContact CG2-CB 4.17Å; V202-L257 HydrophobicContact CG2-CD2 4.49Å; V202-L259 HydrophobicContact CG1-CG 4.46Å; V202-I303 HydrophobicContact CG2-CD1 3.59Å
203I98.9Very high96.7Very high0 Ų025.2 Ų25.20%014%0.137CC..EExtended strand (participates in β ladder)trans-87.2132.1174.9-62.9175.8000109.3V127 Q205 L249 L253 P255 L257 I258 L259V127-I203 CarbonylContact O-C 3.58Å; V127-I203 WeakPolarHBondContact O-CA 3.5Å; I203-Q205 HydrophobicContact CG2-CB 4.42Å; I203-Q205 HydrophobicContact CG2-CG 4.12Å; I203-L249 HydrophobicContact CD1-CB 4.32Å; I203-L253 HydrophobicContact CD1-CB 4.41Å; I203-L253 HydrophobicContact CD1-CD1 3.71Å; I203-L253 HydrophobicContact CG1-CD1 3.94Å; I203-P255 HydrophobicContact CD1-CB 3.88Å; I203-P255 HydrophobicContact CD1-CG 3.65Å; I203-P255 HydrophobicContact CG1-CB 3.84Å; I203-P255 HydrophobicContact CG1-CG 4.19Å; I203-L257 PolarHBondContact N-O 2.72Å; I203-I258 HydrophobicContact CB-CB 4.45Å; I203-I258 HydrophobicContact CB-CG1 4.08Å; I203-I258 HydrophobicContact CB-CG2 4.13Å; I203-I258 HydrophobicContact CD1-CG1 4.36Å; I203-I258 HydrophobicContact CG2-CG2 4.23Å; I203-I258 CarbonylContact O-C 3.59Å; I203-I258 WeakPolarHBondContact O-CA 3.19Å; I203-L259 PolarHBondContact O-N 3.13Å
204L98.9Very high96.9Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-117.9115.1173.5-54.2176.9000107.5I43 L45 V83 F126 V127 I128 A129 V202 L259I43-L204 HydrophobicContact CD1-CD1 3.71Å; I43-L204 HydrophobicContact CD1-CD2 4.19Å; I43-L204 HydrophobicContact CG1-CD1 4.2Å; I43-L204 HydrophobicContact CG2-CD1 3.98Å; I43-L204 HydrophobicContact CG2-CD2 4.39Å; L45-L204 HydrophobicContact CD2-CB 4.08Å; L45-L204 HydrophobicContact CD2-CD2 4.33Å; V83-L204 HydrophobicContact CG2-CB 4.11Å; F126-L204 HydrophobicContact CB-CD1 3.94Å; F126-L204 HydrophobicContact CB-CG 4.44Å; F126-L204 HydrophobicContact CD1-CD1 3.8Å; F126-L204 HydrophobicContact CD1-CD2 4.26Å; F126-L204 HydrophobicContact CD1-CG 4.12Å; F126-L204 HydrophobicContact CG-CD1 4.14Å; V127-L204 PolarHBondContact O-N 2.94Å; I128-L204 WeakPolarHBondContact CA-O 3.42Å; I128-L204 HydrophobicContact CD1-CD1 4.21Å; I128-L204 HydrophobicContact CG1-CB 3.97Å; I128-L204 HydrophobicContact CG1-CD1 3.75Å; I128-L204 HydrophobicContact CG1-CG 4.35Å; A129-L204 PolarHBondContact N-O 2.97Å; V202-L204 HydrophobicContact CG1-CD2 4.05Å; L204-L259 HydrophobicContact CD2-CB 3.93Å; L204-L259 HydrophobicContact CD2-CD1 3.83Å; L204-L259 HydrophobicContact CD2-CG 4.17Å
205Q98.8Very high97Very high0 Ų028.3 Ų28.30%013%0.131CC..EExtended strand (participates in β ladder)trans-147.2169.6179.860.5-179.354.100110.3A129 I203 F207 L241 L259 S260A129-Q205 HydrophobicContact CB-CB 4.28Å; A129-Q205 WeakPolarHBondContact O-CA 3.48Å; A129-Q205 WeakPolarHBondContact O-CB 3.34Å; I203-Q205 HydrophobicContact CG2-CB 4.42Å; I203-Q205 HydrophobicContact CG2-CG 4.12Å; Q205-F207 WeakPolarHBondContact CG-O 3.38Å; Q205-F207 PolarHBondContact NE2-O 3.27Å; Q205-L241 VanDerWaalsContact NE2-CD1 3.25Å; Q205-L259 PolarHBondContact N-O 2.94Å; Q205-L259 VanDerWaalsContact N-O 3.14Å; Q205-S260 WeakPolarHBondContact O-CA 3.34Å
206H98.8Very high96.9Very high0 Ų031.5 Ų31.50%017%0.165CC..SBendtrans-86.6-59.1178.4179.962.6000111.6D5 L45 D47 V83 V84 G85 N86 G261 H262D5-H206 IonicContact OD1-CE1 2.59Å; D5-H206 PolarHBondContact OD1-CE1 2.87Å; L45-H206 PolarHBondContact O-ND1 3.48Å; D47-H206 IonicContact OD1-CD2 2.67Å; D47-H206 IonicContact OD1-CE1 3.06Å; D47-H206 IonicContact OD1-NE2 3.09Å; D47-H206 PolarHBondContact OD1-NE2 3.34Å; D47-H206 IonicContact OD2-CE1 3.11Å; D47-H206 IonicContact OD2-NE2 2.73Å; D47-H206 PolarHBondContact OD2-NE2 3Å; V83-H206 HydrophobicContact CG1-CB 4.43Å; V84-H206 VanDerWaalsContact O-CB 3.31Å; V84-H206 WeakPolarHBondContact O-CB 3.13Å; G85-H206 WeakPolarHBondContact CA-CD2 3.28Å; G85-H206 VanDerWaalsContact CA-CG 3.49Å; N86-H206 PolarHBondContact OD1-NE2 2.75Å; N86-H206 VanDerWaalsContact OD1-NE2 3.14Å; H206-G261 CarbonylContact O-C 3.56Å; H206-G261 PolarHBondContact O-N 2.76Å; H206-H262 AromaticContact CD2-ND1 3.79Å; H206-H262 VanDerWaalsContact CE1-CA 3.48Å; H206-H262 WeakPolarHBondContact CE1-CA 3.18Å; H206-H262 PolarHBondContact CE1-N 3.1Å; H206-H262 AromaticContact CE1-ND1 4Å; H206-H262 WeakPolarHBondContact NE2-CB 3.02Å; H206-H262 AromaticContact NE2-CG 3.6Å; H206-H262 AromaticContact NE2-ND1 3.09Å; H206-H262 PolarHBondContact NE2-ND1 2.99Å
207F98.8Very high97Very high7 Ų731.3 Ų31.33%0.03117%0.165CC..SBendtrans-68.9143179.1-70.1-2.4000112.1N86 F91 S131 Q205 L241 H262N86-F207 HydrophobicContact CB-CE1 3.87Å; N86-F207 HydrophobicContact CB-CZ 3.82Å; N86-F207 WeakPolarHBondContact OD1-CE1 3.35Å; F91-F207 AromaticContact CD1-CZ 3.97Å; F91-F207 HydrophobicContact CD1-CZ 3.97Å; F91-F207 AromaticContact CE1-CZ 3.81Å; F91-F207 HydrophobicContact CE1-CZ 3.81Å; S131-F207 PolarHBondContact OG-N 2.86Å; S131-F207 VanDerWaalsContact OG-N 3.1Å; Q205-F207 WeakPolarHBondContact CG-O 3.38Å; Q205-F207 PolarHBondContact NE2-O 3.27Å; F207-L241 HydrophobicContact CB-CD2 4.24Å; F207-L241 HydrophobicContact CB-CG 4.34Å; F207-L241 HydrophobicContact CD2-CD2 4.37Å; F207-H262 HydrophobicContact CD1-CB 3.98Å; F207-H262 AromaticContact CD1-CD2 3.75Å; F207-H262 AromaticContact CD1-CE1 3.9Å; F207-H262 AromaticContact CD1-CG 3.48Å; F207-H262 VanDerWaalsContact CD1-CG 3.48Å; F207-H262 AromaticContact CD1-ND1 3.59Å; F207-H262 AromaticContact CE1-CD2 3.94Å; F207-H262 AromaticContact CE1-CE1 3.32Å; F207-H262 WeakPolarHBondContact CE1-CE1 3.44Å; F207-H262 AromaticContact CE1-CG 3.7Å; F207-H262 AromaticContact CE1-ND1 3.31Å; F207-H262 VanDerWaalsContact CE1-ND1 3.31Å; F207-H262 WeakPolarHBondContact CE1-ND1 3.02Å; F207-H262 AromaticContact CE1-NE2 3.74Å
208P98.8Very high96.8Very high0 Ų030.1 Ų30.10%016%0.16CC..PPolyproline II helixtrans-61.2155.5169-21.930.5000112.2C240 L241 T263 E282P208-C240 HydrophobicContact CB-CB 4.3Å; P208-C240 WeakPolarHBondContact O-CA 3.32Å; P208-L241 PolarHBondContact O-N 2.97Å; P208-T263 HydrophobicContact CG-CG2 3.71Å; P208-E282 WeakPolarHBondContact CA-OE1 3.44Å; P208-E282 WeakPolarHBondContact CB-OE1 3.5Å
209L98.7Very high96.3Very high0 Ų031.6 Ų31.60%018%0.176CC..PPolyproline II helixtrans-60.8160.1163.6-65.3-176000110.3R211 L241 T246 L249 L250 I258 H271 E282L209-R211 PolarHBondContact O-N 3.19Å; L209-L241 HydrophobicContact CD2-CD1 4.1Å; L209-T246 HydrophobicContact CB-CG2 3.84Å; L209-T246 HydrophobicContact CD1-CG2 4.28Å; L209-T246 HydrophobicContact CD2-CG2 4.13Å; L209-T246 HydrophobicContact CG-CG2 4.3Å; L209-L249 HydrophobicContact CD2-CD1 4.34Å; L209-L250 HydrophobicContact CD1-CD1 4.3Å; L209-L250 HydrophobicContact CD1-CD2 3.84Å; L209-L250 HydrophobicContact CD1-CG 4.15Å; L209-I258 HydrophobicContact CD1-CB 4.47Å; L209-I258 HydrophobicContact CD1-CD1 3.98Å; L209-I258 HydrophobicContact CD1-CG1 3.94Å; L209-I258 HydrophobicContact CD1-CG2 4.34Å; L209-I258 HydrophobicContact CG-CG2 4.27Å; L209-H271 WeakPolarHBondContact CB-CE1 3.3Å; L209-E282 PolarHBondContact N-OE1 3.33Å
210Y98.4Very high96Very high62 Ų6240.5 Ų40.524%0.24322%0.215CC..PPolyproline II helixtrans-53.6126.5-177.7174.7-92.3000111.4P236 L241 K243 T246Y210-P236 HydrophobicContact CD2-CG 4.16Å; Y210-P236 HydrophobicContact CE2-CG 3.85Å; Y210-L241 WeakPolarHBondContact CA-O 3.31Å; Y210-L241 WeakPolarHBondContact CB-O 3.45Å; Y210-K243 HydrophobicContact CD1-CD 4.45Å; Y210-K243 HydrophobicContact CD1-CG 3.52Å; Y210-K243 HydrophobicContact CD2-CG 3.61Å; Y210-K243 HydrophobicContact CE1-CD 4.06Å; Y210-K243 HydrophobicContact CE1-CG 3.58Å; Y210-K243 HydrophobicContact CE2-CD 4.35Å; Y210-K243 HydrophobicContact CE2-CG 3.63Å; Y210-K243 HydrophobicContact CG-CB 4.39Å; Y210-K243 HydrophobicContact CG-CG 3.55Å; Y210-K243 WeakPolarHBondContact OH-CE 3.08Å; Y210-T246 VanDerWaalsContact CB-OG1 3.24Å; Y210-T246 WeakPolarHBondContact CB-OG1 3.33Å; Y210-T246 PolarHBondContact N-OG1 3.45Å
211R96.9Very high95.8Very high9 Ų938.5 Ų38.53%0.03421%0.211CC..  trans-147142165.445.2-178.9-162.8-132.710.5109.7L209 S213 D214 N234 M269 S284L209-R211 PolarHBondContact O-N 3.19Å; R211-S213 VanDerWaalsContact C-N 3.25Å; R211-S213 PolarHBondContact O-N 2.75Å; R211-D214 IonicContact CZ-OD1 2.75Å; R211-D214 IonicContact CZ-OD2 3.64Å; R211-D214 IonicContact NE-OD1 3.79Å; R211-D214 PolarHBondContact NE-OD1 3.04Å; R211-D214 IonicContact NH2-OD1 3.09Å; R211-D214 PolarHBondContact NH2-OD1 2.97Å; R211-D214 IonicContact NH2-OD2 2.71Å; R211-D214 PolarHBondContact NH2-OD2 3.13Å; R211-N234 WeakPolarHBondContact O-CB 3.31Å; R211-N234 PolarHBondContact O-ND2 2.89Å; R211-M269 HydrophobicContact CB-CE 3.64Å; R211-M269 HydrophobicContact CB-SD 3.73Å; R211-M269 VanDerWaalsContact CD-SD 3.51Å; R211-M269 HydrophobicContact CG-CE 3.9Å; R211-M269 HydrophobicContact CG-SD 4.19Å; R211-S284 PolarHBondContact NH1-OG 2.83Å
212S96.9Very high95.6Very high70 Ų7043 Ų4349%0.4923%0.234SC..SBendtrans-65.8-29.7-179.656.20000113.2V233 N234S212-V233 CarbonylContact O-C 2.98Å; S212-V233 WeakPolarHBondContact O-CA 3.36Å; S212-N234 PolarHBondContact O-N 2.84Å
213S97.1Very high95.5Very high22 Ų2243.3 Ų43.315%0.15424%0.236CC..  trans-168.2171.3178.163.30000110R211 R215 R230 T232 N234R211-S213 VanDerWaalsContact C-N 3.25Å; R211-S213 PolarHBondContact O-N 2.75Å; S213-R215 PolarHBondContact O-N 3.33Å; S213-R215 WeakPolarHBondContact OG-CB 3.25Å; S213-R215 PolarHBondContact OG-N 3.09Å; S213-R230 WeakPolarHBondContact CB-O 3.03Å; S213-T232 WeakPolarHBondContact CB-O 3.48Å; S213-N234 WeakPolarHBondContact CA-ND2 3.38Å
214D96.3Very high95.3Very high3 Ų343.9 Ų43.92%0.01624%0.241CC..G310 helixtrans-86.412.9176.6-71.115.6000112.6R211 G216 C217 M225 R230 N234R211-D214 IonicContact CZ-OD1 2.75Å; R211-D214 IonicContact CZ-OD2 3.64Å; R211-D214 IonicContact NE-OD1 3.79Å; R211-D214 PolarHBondContact NE-OD1 3.04Å; R211-D214 IonicContact NH2-OD1 3.09Å; R211-D214 PolarHBondContact NH2-OD1 2.97Å; R211-D214 IonicContact NH2-OD2 2.71Å; R211-D214 PolarHBondContact NH2-OD2 3.13Å; D214-G216 PolarHBondContact O-N 3.31Å; D214-C217 VanDerWaalsContact O-CB 3.31Å; D214-C217 WeakPolarHBondContact O-CB 3.48Å; D214-C217 PolarHBondContact O-N 3.41Å; D214-C217 VanDerWaalsContact O-N 3.07Å; D214-C217 PolarHBondContact O-SG 3.08Å; D214-M225 HydrophobicContact CB-CE 4.22Å; D214-M225 HydrophobicContact CB-SD 3.9Å; D214-M225 WeakPolarHBondContact OD2-CE 3.49Å; D214-R230 CarbonylContact C-O 3.43Å; D214-R230 HydrophobicContact CB-CB 4.24Å; D214-R230 HydrophobicContact CB-CG 4.14Å; D214-R230 PolarHBondContact N-O 3.42Å; D214-R230 WeakPolarHBondContact O-CD 3.48Å; D214-N234 PolarHBondContact OD1-ND2 3.07Å; D214-N234 VanDerWaalsContact OD1-ND2 3.1Å
215R95.1Very high95.2Very high191 Ų19145 Ų4572%0.72125%0.246SC*.G310 helixtrans-59.1-31.9-178.9-178.4179.1168-178.8-4.1112.8S213 C217 R230S213-R215 PolarHBondContact O-N 3.33Å; S213-R215 WeakPolarHBondContact OG-CB 3.25Å; S213-R215 PolarHBondContact OG-N 3.09Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-R230 PolarHBondContact N-O 3.08Å
216G92.2Very high94.9Very high68 Ų6847.4 Ų47.470%0.70126%0.262SS*.G310 helixtrans-77-12178.800000114.7D214D214-G216 PolarHBondContact O-N 3.31Å
217C95Very high94.6Very high9 Ų955 Ų556%0.06130%0.295CS..SBendtrans-73146.3-177.9-50.50000111.3D214 R215 R230 C267D214-C217 VanDerWaalsContact O-CB 3.31Å; D214-C217 WeakPolarHBondContact O-CB 3.48Å; D214-C217 PolarHBondContact O-N 3.41Å; D214-C217 VanDerWaalsContact O-N 3.07Å; D214-C217 PolarHBondContact O-SG 3.08Å; R215-C217 VanDerWaalsContact C-N 3.31Å; C217-R230 PolarHBondContact O-NH1 3.28Å; C217-C267 HydrophobicContact CB-CB 3.79Å; C217-C267 WeakPolarHBondContact CB-SG 3.16Å; C217-C267 WeakPolarHBondContact SG-CB 3.45Å; C217-C267 CovalentContact SG-SG 2.02Å; C217-C267 PolarHBondContact SG-SG 2.91Å
218S89.3Confident94.3Very high56 Ų5661.2 Ų61.239%0.39232%0.324SS..  trans-63.2142.5178-174.20000112.9K220 A224 R230S218-K220 PolarHBondContact OG-N 2.86Å; S218-A224 WeakPolarHBondContact O-CB 3.23Å; S218-R230 PolarHBondContact O-NH1 3.3Å; S218-R230 PolarHBondContact O-NH2 3.21Å
219T85.5Confident94.1Very high96 Ų9664.3 Ų64.359%0.58934%0.34SS*.SBendtrans-88.8-10.9175.253.80000114.1R230T219-R230 VanDerWaalsContact CA-NH1 3.33Å
220K89Confident93.8Very high187 Ų18765 Ų6581%0.81334%0.342SS*.  trans-66.5-41.4-172.9-64.4-176176-1760113.8S218S218-K220 PolarHBondContact OG-N 2.86Å
221P92.1Very high93.6Very high29 Ų2968.9 Ų68.919%0.18836%0.36CS..SBendtrans-69.3140.5-178.6-2034.3000112.5D223 A224 K312P221-D223 WeakPolarHBondContact CB-OD1 3.43Å; P221-D223 PolarHBondContact O-N 3.15Å; P221-A224 HydrophobicContact CB-CB 4.2Å; P221-A224 WeakPolarHBondContact O-CB 3.26Å; P221-A224 PolarHBondContact O-N 3.25Å; P221-A224 VanDerWaalsContact O-N 3.1Å; P221-K312 HydrophobicContact CB-CD 4.28Å
222I93.6Very high93.6Very high95 Ų9572.4 Ų72.449%0.48738%0.383SS..THydrogen-bonded Turntrans-71.8-15.3-178.461.9171.4000113.5N295 Y314I222-N295 HydrophobicContact CD1-CB 3.93Å; I222-N295 HydrophobicContact CG1-CB 4.06Å; I222-N295 PolarHBondContact O-ND2 3.39Å; I222-Y314 HydrophobicContact CD1-CD1 3.78Å; I222-Y314 HydrophobicContact CD1-CD2 4.08Å; I222-Y314 HydrophobicContact CD1-CE1 3.98Å; I222-Y314 HydrophobicContact CD1-CE2 4.26Å; I222-Y314 HydrophobicContact CD1-CG 3.83Å; I222-Y314 HydrophobicContact CG1-CD1 3.69Å; I222-Y314 HydrophobicContact CG1-CD2 4.39Å; I222-Y314 HydrophobicContact CG1-CE1 3.37Å; I222-Y314 HydrophobicContact CG1-CE2 4.13Å; I222-Y314 HydrophobicContact CG1-CG 4.19Å
223D95.8Very high93.6Very high5 Ų574.3 Ų74.33%0.02739%0.391CS..THydrogen-bonded Turntrans-96.45.1174.865.2-24.4000112.5P221 Y265 S266 A286 L293 K312 Y314P221-D223 WeakPolarHBondContact CB-OD1 3.43Å; P221-D223 PolarHBondContact O-N 3.15Å; D223-Y265 WeakPolarHBondContact O-CA 3.44Å; D223-S266 PolarHBondContact O-N 2.63Å; D223-S266 WeakPolarHBondContact OD2-CB 3.16Å; D223-A286 HydrophobicContact CB-CB 3.75Å; D223-A286 WeakPolarHBondContact OD2-CB 3.41Å; D223-L293 HydrophobicContact CB-CD2 3.69Å; D223-K312 IonicContact OD1-NZ 3.93Å; D223-K312 PolarHBondContact OD1-NZ 3.03Å; D223-K312 IonicContact OD2-NZ 2.72Å; D223-K312 PolarHBondContact OD2-NZ 2.92Å; D223-Y314 HydrophobicContact CB-CD1 4.48Å; D223-Y314 HydrophobicContact CB-CE1 3.92Å
224A95.9Very high93.6Very high13 Ų1374.1 Ų74.111%0.10739%0.389CS..SBendtrans-79.6147.617700000110.9S218 P221 R230S218-A224 WeakPolarHBondContact O-CB 3.23Å; P221-A224 HydrophobicContact CB-CB 4.2Å; P221-A224 WeakPolarHBondContact O-CB 3.26Å; P221-A224 PolarHBondContact O-N 3.25Å; P221-A224 VanDerWaalsContact O-N 3.1Å; A224-R230 VanDerWaalsContact CB-NH2 3.27Å
225M95.5Very high93.7Very high23 Ų2380.7 Ų80.711%0.11341%0.413CS..PPolyproline II helixtrans-53.8139.3-178.1-175.4-178-73.800111.6D214 L229 R230 Y265D214-M225 HydrophobicContact CB-CE 4.22Å; D214-M225 HydrophobicContact CB-SD 3.9Å; D214-M225 WeakPolarHBondContact OD2-CE 3.49Å; M225-L229 HydrophobicContact CG-CB 3.72Å; M225-L229 VanDerWaalsContact SD-C 3.52Å; M225-L229 HydrophobicContact SD-CB 3.75Å; M225-R230 HydrophobicContact CB-CG 3.9Å; M225-R230 HydrophobicContact CG-CG 3.97Å; M225-R230 PolarHBondContact O-NE 2.96Å; M225-R230 PolarHBondContact O-NH2 2.65Å; M225-R230 HydrophobicContact SD-CB 4.4Å; M225-R230 HydrophobicContact SD-CG 3.91Å; M225-Y265 HydrophobicContact CB-CD1 4.17Å; M225-Y265 HydrophobicContact CB-CD2 3.8Å; M225-Y265 HydrophobicContact CB-CE2 4.47Å; M225-Y265 HydrophobicContact CB-CG 3.65Å; M225-Y265 HydrophobicContact CE-CD2 3.58Å; M225-Y265 HydrophobicContact CE-CE2 4.16Å; M225-Y265 HydrophobicContact CE-CG 4.45Å; M225-Y265 HydrophobicContact CG-CD2 3.81Å; M225-Y265 HydrophobicContact CG-CE2 4.09Å; M225-Y265 HydrophobicContact CG-CG 4.16Å
226P93.9Very high93.9Very high51 Ų5174.2 Ų74.233%0.33140%0.396SS..PPolyproline II helixtrans-54.8142.4173.4-28.535.2000113.1H228 L229 R230P226-H228 PolarHBondContact O-N 3.1Å; P226-H228 VanDerWaalsContact O-N 3.07Å; P226-L229 HydrophobicContact CB-CD1 4.48Å; P226-L229 HydrophobicContact CB-CG 4.48Å; P226-L229 HydrophobicContact CG-CD1 4.25Å; P226-L229 PolarHBondContact O-N 3.21Å; P226-R230 PolarHBondContact O-N 3.12Å
227K91.2Very high94.1Very high160 Ų16074.9 Ų74.970%0.69638%0.38SS*.THydrogen-bonded Turntrans-55.2-32.8-173-173.1179.2179.9-178.70114
228H92.3Very high94.2Very high137 Ų13777.6 Ų77.663%0.63439%0.393SS*.THydrogen-bonded Turntrans-72.1-36179.966.1-86000112.3P226P226-H228 PolarHBondContact O-N 3.1Å; P226-H228 VanDerWaalsContact O-N 3.07Å
229L94.5Very high94.6Very high65 Ų6576.6 Ų76.634%0.3438%0.384SS..G310 helixtrans-75.2-27.1178.2-60.6-178.9000112.8M225 P226 K231 T232M225-L229 HydrophobicContact CG-CB 3.72Å; M225-L229 VanDerWaalsContact SD-C 3.52Å; M225-L229 HydrophobicContact SD-CB 3.75Å; P226-L229 HydrophobicContact CB-CD1 4.48Å; P226-L229 HydrophobicContact CB-CG 4.48Å; P226-L229 HydrophobicContact CG-CD1 4.25Å; P226-L229 PolarHBondContact O-N 3.21Å; L229-K231 PolarHBondContact O-N 2.88Å; L229-K231 VanDerWaalsContact O-N 3.11Å; L229-T232 WeakPolarHBondContact O-CB 3.37Å; L229-T232 PolarHBondContact O-N 3.38Å; L229-T232 PolarHBondContact O-OG1 2.94Å
230R93.6Very high95.2Very high14 Ų1472 Ų725%0.05336%0.356CS..G310 helixtrans-62.9-20.6-180-69.1-179.3-152.3-147.9-10.9115.1S213 D214 R215 C217 S218 T219 A224 M225 P226 T232S213-R230 WeakPolarHBondContact CB-O 3.03Å; D214-R230 CarbonylContact C-O 3.43Å; D214-R230 HydrophobicContact CB-CB 4.24Å; D214-R230 HydrophobicContact CB-CG 4.14Å; D214-R230 PolarHBondContact N-O 3.42Å; D214-R230 WeakPolarHBondContact O-CD 3.48Å; R215-R230 PolarHBondContact N-O 3.08Å; C217-R230 PolarHBondContact O-NH1 3.28Å; S218-R230 PolarHBondContact O-NH1 3.3Å; S218-R230 PolarHBondContact O-NH2 3.21Å; T219-R230 VanDerWaalsContact CA-NH1 3.33Å; A224-R230 VanDerWaalsContact CB-NH2 3.27Å; M225-R230 HydrophobicContact CB-CG 3.9Å; M225-R230 HydrophobicContact CG-CG 3.97Å; M225-R230 PolarHBondContact O-NE 2.96Å; M225-R230 PolarHBondContact O-NH2 2.65Å; M225-R230 HydrophobicContact SD-CB 4.4Å; M225-R230 HydrophobicContact SD-CG 3.91Å; P226-R230 PolarHBondContact O-N 3.12Å; R230-T232 VanDerWaalsContact C-N 3.31Å
231K94Very high95.7Very high143 Ų14363.3 Ų63.362%0.62232%0.318SS*.G310 helixtrans-85.2-10.3179.4-64.7-177.8-179.6-178.80112.1L229 V233L229-K231 PolarHBondContact O-N 2.88Å; L229-K231 VanDerWaalsContact O-N 3.11Å; K231-V233 PolarHBondContact O-N 2.93Å
232T95.8Very high96Very high84 Ų8462.2 Ų62.252%0.51531%0.311SS..SBendtrans-60.2132.1174.6-56.60000108.9S213 L229 R230 N234S213-T232 WeakPolarHBondContact CB-O 3.48Å; L229-T232 WeakPolarHBondContact O-CB 3.37Å; L229-T232 PolarHBondContact O-N 3.38Å; L229-T232 PolarHBondContact O-OG1 2.94Å; R230-T232 VanDerWaalsContact C-N 3.31Å; T232-N234 PolarHBondContact O-N 3.37Å
233V97.6Very high96.2Very high109 Ų10963.2 Ų63.266%0.66131%0.312SS*.PPolyproline II helixtrans-73.2123.4178.3178.30000108S212 K231S212-V233 CarbonylContact O-C 2.98Å; S212-V233 WeakPolarHBondContact O-CA 3.36Å; K231-V233 PolarHBondContact O-N 2.93Å
234N98.1Very high96.3Very high19 Ų1969.2 Ų69.210%0.10234%0.34CS..PPolyproline II helixtrans-73.3135174.6-67.8-23.1000109.3R211 S212 S213 D214 T232 P236 D239R211-N234 WeakPolarHBondContact O-CB 3.31Å; R211-N234 PolarHBondContact O-ND2 2.89Å; S212-N234 PolarHBondContact O-N 2.84Å; S213-N234 WeakPolarHBondContact CA-ND2 3.38Å; D214-N234 PolarHBondContact OD1-ND2 3.07Å; D214-N234 VanDerWaalsContact OD1-ND2 3.1Å; T232-N234 PolarHBondContact O-N 3.37Å; N234-P236 WeakPolarHBondContact O-CD 3.46Å; N234-D239 HydrophobicContact CB-CB 4.07Å
235R97.9Very high96.4Very high140 Ų14068.8 Ų68.853%0.52834%0.336SS..PPolyproline II helixtrans-90.4117.6175.5-60.3165-64.11696.8108.4L238 D239R235-L238 HydrophobicContact CB-CB 4.2Å; R235-L238 HydrophobicContact CB-CD1 4.3Å; R235-L238 PolarHBondContact O-N 2.85Å; R235-D239 VanDerWaalsContact CB-OD2 3.27Å; R235-D239 WeakPolarHBondContact CB-OD2 3.37Å; R235-D239 IonicContact CZ-OD1 2.65Å; R235-D239 IonicContact CZ-OD2 3.36Å; R235-D239 PolarHBondContact N-OD2 2.87Å; R235-D239 IonicContact NE-OD1 2.93Å; R235-D239 IonicContact NE-OD2 3.21Å; R235-D239 PolarHBondContact NE-OD2 2.96Å; R235-D239 IonicContact NH2-OD1 3.57Å; R235-D239 PolarHBondContact NH2-OD1 3.42Å; R235-D239 IonicContact NH2-OD2 3.59Å; R235-D239 PolarHBondContact O-N 2.75Å
236P98.1Very high96.6Very high55 Ų5568.1 Ų68.136%0.35733%0.333SS..BIsolated β-bridgetrans-56.2146.3173.8-25.736.9000111.1Y210 N234 L238 C240Y210-P236 HydrophobicContact CD2-CG 4.16Å; Y210-P236 HydrophobicContact CE2-CG 3.85Å; N234-P236 WeakPolarHBondContact O-CD 3.46Å; P236-L238 PolarHBondContact O-N 2.94Å; P236-L238 VanDerWaalsContact O-N 3.17Å; P236-C240 CarbonylContact C-O 3.56Å
237K96.5Very high96.7Very high83 Ų8371.4 Ų71.436%0.36134%0.342SS..THydrogen-bonded Turntrans69.7-4.9-177.4-55.3150.2159.3-121.60115E135 C240E135-K237 WeakPolarHBondContact O-CE 3.24Å; E135-K237 PolarHBondContact O-NZ 3.1Å; E135-K237 WeakPolarHBondContact OE1-CD 3.34Å; E135-K237 WeakPolarHBondContact OE1-CE 3.25Å; E135-K237 WeakPolarHBondContact OE1-CG 3.31Å; E135-K237 IonicContact OE1-NZ 2.95Å; E135-K237 PolarHBondContact OE1-NZ 3.34Å; E135-K237 WeakPolarHBondContact OE2-CG 3.47Å; K237-C240 PolarHBondContact N-O 3.45Å
238L97.5Very high97.1Very high65 Ų6566.4 Ų66.434%0.3432%0.321SS..THydrogen-bonded Turntrans-115.6-58.8171.1-72.897.1000111.5R235 P236 H262R235-L238 HydrophobicContact CB-CB 4.2Å; R235-L238 HydrophobicContact CB-CD1 4.3Å; R235-L238 PolarHBondContact O-N 2.85Å; P236-L238 PolarHBondContact O-N 2.94Å; P236-L238 VanDerWaalsContact O-N 3.17Å; L238-H262 PolarHBondContact O-NE2 3.27Å
239D98Very high97.4Very high36 Ų3659.9 Ų59.919%0.19329%0.291CS..THydrogen-bonded Turntrans-98.2-17-172.6-48.4-46.2000112N234 R235N234-D239 HydrophobicContact CB-CB 4.07Å; R235-D239 VanDerWaalsContact CB-OD2 3.27Å; R235-D239 WeakPolarHBondContact CB-OD2 3.37Å; R235-D239 IonicContact CZ-OD1 2.65Å; R235-D239 IonicContact CZ-OD2 3.36Å; R235-D239 PolarHBondContact N-OD2 2.87Å; R235-D239 IonicContact NE-OD1 2.93Å; R235-D239 IonicContact NE-OD2 3.21Å; R235-D239 PolarHBondContact NE-OD2 2.96Å; R235-D239 IonicContact NH2-OD1 3.57Å; R235-D239 PolarHBondContact NH2-OD1 3.42Å; R235-D239 IonicContact NH2-OD2 3.59Å; R235-D239 PolarHBondContact O-N 2.75Å
240C98.4Very high97.5Very high0 Ų057 Ų570%028%0.276CS..BIsolated β-bridgetrans-161.6169.7176.561.70000110.9P208 P236 K237P208-C240 HydrophobicContact CB-CB 4.3Å; P208-C240 WeakPolarHBondContact O-CA 3.32Å; P236-C240 CarbonylContact C-O 3.56Å; K237-C240 PolarHBondContact N-O 3.45Å
241L98.7Very high97.7Very high4 Ų460.2 Ų60.22%0.02129%0.292CS..  trans-63.1159.6172.8-69.7-171000112.7F134 Q205 F207 P208 L209 Y210 A245 L249F134-L241 HydrophobicContact CB-CD2 4.19Å; Q205-L241 VanDerWaalsContact NE2-CD1 3.25Å; F207-L241 HydrophobicContact CB-CD2 4.24Å; F207-L241 HydrophobicContact CB-CG 4.34Å; F207-L241 HydrophobicContact CD2-CD2 4.37Å; P208-L241 PolarHBondContact O-N 2.97Å; L209-L241 HydrophobicContact CD2-CD1 4.1Å; Y210-L241 WeakPolarHBondContact CA-O 3.31Å; Y210-L241 WeakPolarHBondContact CB-O 3.45Å; L241-A245 HydrophobicContact CB-CB 4.34Å; L241-A245 HydrophobicContact CD1-CB 4.4Å; L241-L249 HydrophobicContact CD1-CD1 3.59Å
242S98.4Very high97.9Very high6 Ų655.4 Ų55.44%0.04228%0.276CS..  trans-66.3161.2170.4700000111.9E244 A245 T246S242-E244 WeakPolarHBondContact CB-OE2 3.36Å; S242-E244 PolarHBondContact O-N 2.9Å; S242-A245 VanDerWaalsContact OG-CB 3.25Å; S242-A245 WeakPolarHBondContact OG-CB 3.25Å; S242-A245 PolarHBondContact OG-N 2.71Å; S242-T246 VanDerWaalsContact O-CB 3.26Å; S242-T246 WeakPolarHBondContact O-CB 3.26Å; S242-T246 PolarHBondContact O-N 2.67Å; S242-T246 PolarHBondContact O-OG1 3.37Å
243K97.8Very high98Very high115 Ų11551.6 Ų51.650%0.525%0.253SS..Hα-helixtrans-60.2-39.3174.4-73.5-179-177.8176.10110.6Y210 T246 K247Y210-K243 HydrophobicContact CD1-CD 4.45Å; Y210-K243 HydrophobicContact CD1-CG 3.52Å; Y210-K243 HydrophobicContact CD2-CG 3.61Å; Y210-K243 HydrophobicContact CE1-CD 4.06Å; Y210-K243 HydrophobicContact CE1-CG 3.58Å; Y210-K243 HydrophobicContact CE2-CD 4.35Å; Y210-K243 HydrophobicContact CE2-CG 3.63Å; Y210-K243 HydrophobicContact CG-CB 4.39Å; Y210-K243 HydrophobicContact CG-CG 3.55Å; Y210-K243 WeakPolarHBondContact OH-CE 3.08Å; K243-T246 PolarHBondContact O-N 2.98Å; K243-K247 VanDerWaalsContact O-CB 3.26Å; K243-K247 WeakPolarHBondContact O-CB 3.27Å; K243-K247 PolarHBondContact O-N 2.96Å
244E98.1Very high98Very high132 Ų13250.6 Ų50.662%0.61724%0.237SC*.Hα-helixtrans-66.5-50.1-177.2-62.666.7-143.200110.3S242 T246 K247 Q248S242-E244 WeakPolarHBondContact CB-OE2 3.36Å; S242-E244 PolarHBondContact O-N 2.9Å; E244-T246 PolarHBondContact O-N 2.85Å; E244-K247 PolarHBondContact O-N 3.45Å; E244-Q248 WeakPolarHBondContact O-CB 3.49Å; E244-Q248 PolarHBondContact O-N 2.64Å
245A98.6Very high98Very high4 Ų449.7 Ų49.73%0.03323%0.232CC..Hα-helixtrans-62-43175.600000112F134 L241 S242 Q248 L249F134-A245 HydrophobicContact CB-CB 3.9Å; F134-A245 WeakPolarHBondContact O-CB 3.31Å; L241-A245 HydrophobicContact CB-CB 4.34Å; L241-A245 HydrophobicContact CD1-CB 4.4Å; S242-A245 VanDerWaalsContact OG-CB 3.25Å; S242-A245 WeakPolarHBondContact OG-CB 3.25Å; S242-A245 PolarHBondContact OG-N 2.71Å; A245-Q248 PolarHBondContact O-N 2.82Å; A245-L249 WeakPolarHBondContact O-CG 3.36Å; A245-L249 PolarHBondContact O-N 2.87Å
246T98.7Very high97.9Very high9 Ų944 Ų446%0.05521%0.211CC..Hα-helixtrans-60.4-48.4177.1-62.80000111.3L209 Y210 S242 K243 E244 Q248 L249 L250L209-T246 HydrophobicContact CB-CG2 3.84Å; L209-T246 HydrophobicContact CD1-CG2 4.28Å; L209-T246 HydrophobicContact CD2-CG2 4.13Å; L209-T246 HydrophobicContact CG-CG2 4.3Å; Y210-T246 VanDerWaalsContact CB-OG1 3.24Å; Y210-T246 WeakPolarHBondContact CB-OG1 3.33Å; Y210-T246 PolarHBondContact N-OG1 3.45Å; S242-T246 VanDerWaalsContact O-CB 3.26Å; S242-T246 WeakPolarHBondContact O-CB 3.26Å; S242-T246 PolarHBondContact O-N 2.67Å; S242-T246 PolarHBondContact O-OG1 3.37Å; K243-T246 PolarHBondContact O-N 2.98Å; E244-T246 PolarHBondContact O-N 2.85Å; T246-Q248 VanDerWaalsContact C-N 3.35Å; T246-Q248 PolarHBondContact O-N 2.97Å; T246-L249 PolarHBondContact O-N 3.43Å; T246-L250 HydrophobicContact CG2-CD1 3.82Å; T246-L250 HydrophobicContact CG2-CG 4.44Å; T246-L250 WeakPolarHBondContact O-CB 3.35Å; T246-L250 VanDerWaalsContact O-CG 3.26Å; T246-L250 WeakPolarHBondContact O-CG 3.27Å; T246-L250 PolarHBondContact O-N 3.34Å
247K97.8Very high97.9Very high120 Ų12041.4 Ų41.452%0.52219%0.194SC..Hα-helixtrans-59.9-47176.5-178.1-178.5176.9-173.50110.7K243 E244 L249 L250 E251K243-K247 VanDerWaalsContact O-CB 3.26Å; K243-K247 WeakPolarHBondContact O-CB 3.27Å; K243-K247 PolarHBondContact O-N 2.96Å; E244-K247 PolarHBondContact O-N 3.45Å; K247-L249 PolarHBondContact O-N 3.48Å; K247-L250 PolarHBondContact O-N 2.91Å; K247-E251 WeakPolarHBondContact CE-OE1 3.31Å; K247-E251 WeakPolarHBondContact CE-OE2 3.43Å; K247-E251 VanDerWaalsContact CG-CD 3.49Å; K247-E251 HydrophobicContact CG-CG 4.15Å; K247-E251 VanDerWaalsContact O-CB 3.31Å; K247-E251 WeakPolarHBondContact O-CB 3.44Å; K247-E251 WeakPolarHBondContact O-CG 3.23Å; K247-E251 PolarHBondContact O-N 3.41Å
248Q97.9Very high98Very high54 Ų5437.4 Ų37.425%0.25218%0.176SC..Hα-helixtrans-58-49.3179.8-174.5-172.68.600112N146 L149 E244 A245 T246 S252N146-Q248 PolarHBondContact OD1-NE2 2.92Å; N146-Q248 PolarHBondContact OD1-OE1 2.91Å; L149-Q248 HydrophobicContact CD2-CG 3.82Å; E244-Q248 WeakPolarHBondContact O-CB 3.49Å; E244-Q248 PolarHBondContact O-N 2.64Å; A245-Q248 PolarHBondContact O-N 2.82Å; T246-Q248 VanDerWaalsContact C-N 3.35Å; T246-Q248 PolarHBondContact O-N 2.97Å; Q248-S252 WeakPolarHBondContact O-CB 3.26Å; Q248-S252 PolarHBondContact O-N 3.09Å; Q248-S252 PolarHBondContact O-OG 3.18Å
249L98.7Very high98.1Very high0 Ų034.4 Ų34.40%016%0.16CC..Hα-helixtrans-63.4-46.6178.8-74.2169.6000111.8I116 F134 L149 I203 L209 L241 A245 T246 K247 L253I116-L249 HydrophobicContact CD1-CD2 4.27Å; F134-L249 HydrophobicContact CD1-CD2 4.43Å; F134-L249 HydrophobicContact CD1-CG 4.38Å; F134-L249 HydrophobicContact CE1-CD2 3.78Å; F134-L249 HydrophobicContact CE1-CG 4.18Å; F134-L249 HydrophobicContact CE2-CD2 4.32Å; F134-L249 HydrophobicContact CZ-CD2 3.72Å; F134-L249 HydrophobicContact CZ-CG 4.5Å; L149-L249 HydrophobicContact CD1-CD2 4.29Å; L149-L249 HydrophobicContact CD2-CD2 4.24Å; I203-L249 HydrophobicContact CD1-CB 4.32Å; L209-L249 HydrophobicContact CD2-CD1 4.34Å; L241-L249 HydrophobicContact CD1-CD1 3.59Å; A245-L249 WeakPolarHBondContact O-CG 3.36Å; A245-L249 PolarHBondContact O-N 2.87Å; T246-L249 PolarHBondContact O-N 3.43Å; K247-L249 PolarHBondContact O-N 3.48Å; L249-L253 HydrophobicContact CD2-CD1 4.15Å; L249-L253 WeakPolarHBondContact O-CB 3.21Å; L249-L253 PolarHBondContact O-N 3.49Å
250L98.5Very high98.1Very high6 Ų632.7 Ų32.73%0.03115%0.151CC..Hα-helixtrans-65.1-43.5-179.6-71.1175.7000112.2L209 T246 K247 R254 P255 I258 H271 F273 A280L209-L250 HydrophobicContact CD1-CD1 4.3Å; L209-L250 HydrophobicContact CD1-CD2 3.84Å; L209-L250 HydrophobicContact CD1-CG 4.15Å; T246-L250 HydrophobicContact CG2-CD1 3.82Å; T246-L250 HydrophobicContact CG2-CG 4.44Å; T246-L250 WeakPolarHBondContact O-CB 3.35Å; T246-L250 VanDerWaalsContact O-CG 3.26Å; T246-L250 WeakPolarHBondContact O-CG 3.27Å; T246-L250 PolarHBondContact O-N 3.34Å; K247-L250 PolarHBondContact O-N 2.91Å; L250-R254 WeakPolarHBondContact O-CA 3.28Å; L250-R254 PolarHBondContact O-N 2.86Å; L250-P255 HydrophobicContact CD2-CG 3.79Å; L250-I258 HydrophobicContact CD2-CD1 4.17Å; L250-H271 HydrophobicContact CD1-CB 3.88Å; L250-H271 HydrophobicContact CD2-CB 4.49Å; L250-F273 HydrophobicContact CB-CB 3.95Å; L250-F273 HydrophobicContact CB-CD1 4.03Å; L250-F273 HydrophobicContact CB-CD2 4.27Å; L250-F273 HydrophobicContact CB-CG 3.82Å; L250-F273 HydrophobicContact CD1-CB 4.28Å; L250-F273 HydrophobicContact CD1-CD1 4.25Å; L250-F273 HydrophobicContact CD2-CD1 4.09Å; L250-F273 HydrophobicContact CD2-CE1 4.23Å; L250-F273 HydrophobicContact CG-CD1 4.36Å; L250-F273 WeakPolarHBondContact O-CD2 3.22Å; L250-F273 WeakPolarHBondContact O-CE2 3.37Å; L250-A280 HydrophobicContact CD2-CB 4.36Å
251E96.8Very high98.1Very high81 Ų8132.7 Ų32.738%0.37915%0.151SC..Hα-helixtrans-75.2-37-178.2-69.8-178.3169.600112.5K247 R254K247-E251 WeakPolarHBondContact CE-OE1 3.31Å; K247-E251 WeakPolarHBondContact CE-OE2 3.43Å; K247-E251 VanDerWaalsContact CG-CD 3.49Å; K247-E251 HydrophobicContact CG-CG 4.15Å; K247-E251 VanDerWaalsContact O-CB 3.31Å; K247-E251 WeakPolarHBondContact O-CB 3.44Å; K247-E251 WeakPolarHBondContact O-CG 3.23Å; K247-E251 PolarHBondContact O-N 3.41Å; E251-R254 WeakPolarHBondContact O-CG 3.3Å
252S97.7Very high98.1Very high41 Ų4133.7 Ų33.729%0.28716%0.156SC..Hα-helixtrans-74.1-41.2-179.7-53.20000112.3A153 Q248A153-S252 WeakPolarHBondContact CB-O 3.34Å; Q248-S252 WeakPolarHBondContact O-CB 3.26Å; Q248-S252 PolarHBondContact O-N 3.09Å; Q248-S252 PolarHBondContact O-OG 3.18Å
253L98.1Very high98.1Very high5 Ų534.4 Ų34.43%0.02616%0.16CC..Hα-helixtrans-100.9-21.3-173.3-60.3173.6000113.4V127 L149 I152 L156 P201 I203 L249 P255V127-L253 HydrophobicContact CB-CD1 4.12Å; V127-L253 HydrophobicContact CG1-CD1 3.75Å; V127-L253 HydrophobicContact CG2-CD1 4.24Å; V127-L253 HydrophobicContact CG2-CD2 4.23Å; L149-L253 HydrophobicContact CD1-CD1 3.82Å; L149-L253 HydrophobicContact CD1-CD2 3.68Å; L149-L253 HydrophobicContact CD1-CG 3.65Å; I152-L253 HydrophobicContact CG2-CD2 3.84Å; L156-L253 HydrophobicContact CD1-CD2 4.02Å; P201-L253 HydrophobicContact CG-CB 4.33Å; P201-L253 WeakPolarHBondContact CG-O 3.41Å; I203-L253 HydrophobicContact CD1-CB 4.41Å; I203-L253 HydrophobicContact CD1-CD1 3.71Å; I203-L253 HydrophobicContact CG1-CD1 3.94Å; L249-L253 HydrophobicContact CD2-CD1 4.15Å; L249-L253 WeakPolarHBondContact O-CB 3.21Å; L249-L253 PolarHBondContact O-N 3.49Å; L253-P255 VanDerWaalsContact C-N 3.33Å
254R97.2Very high98.1Very high87 Ų8730.9 Ų30.933%0.32815%0.145SC..  trans43.554.1-175-51.7-176.174.8104.3-12.2112.2R200 L250 E251 F273 D278R200-R254 WeakPolarHBondContact CG-O 3.42Å; R200-R254 PolarHBondContact NE-O 2.87Å; L250-R254 WeakPolarHBondContact O-CA 3.28Å; L250-R254 PolarHBondContact O-N 2.86Å; E251-R254 WeakPolarHBondContact O-CG 3.3Å; R254-F273 HydrophobicContact CB-CE2 3.82Å; R254-F273 HydrophobicContact CB-CZ 4.18Å; R254-F273 HydrophobicContact CG-CE2 3.94Å; R254-D278 IonicContact CZ-OD2 2.65Å; R254-D278 IonicContact NE-OD2 3.68Å; R254-D278 PolarHBondContact NE-OD2 2.7Å; R254-D278 IonicContact NH2-OD2 3.59Å; R254-D278 PolarHBondContact NH2-OD2 2.94Å
255P98.1Very high98Very high0 Ų027 Ų270%013%0.125CC..  trans-66.7160.5-170.533.3-39.9000111.9R200 P201 I203 L250 L253 I258 A280R200-P255 VanDerWaalsContact CZ-O 3.29Å; R200-P255 PolarHBondContact NE-O 2.82Å; R200-P255 PolarHBondContact NH2-O 2.7Å; P201-P255 CarbonylContact O-C 3.44Å; P201-P255 VanDerWaalsContact O-CA 3.26Å; P201-P255 WeakPolarHBondContact O-CA 3.2Å; P201-P255 WeakPolarHBondContact O-CB 3.5Å; I203-P255 HydrophobicContact CD1-CB 3.88Å; I203-P255 HydrophobicContact CD1-CG 3.65Å; I203-P255 HydrophobicContact CG1-CB 3.84Å; I203-P255 HydrophobicContact CG1-CG 4.19Å; L250-P255 HydrophobicContact CD2-CG 3.79Å; L253-P255 VanDerWaalsContact C-N 3.33Å; P255-I258 HydrophobicContact CB-CG1 4.46Å; P255-I258 HydrophobicContact CG-CD1 3.93Å; P255-I258 HydrophobicContact CG-CG1 4.09Å; P255-A280 HydrophobicContact CG-CB 4.2Å; P255-A280 VanDerWaalsContact O-CB 3.28Å; P255-A280 WeakPolarHBondContact O-CB 3.31Å
256R96Very high98Very high21 Ų2127 Ų278%0.07913%0.125CC..SBendtrans-94.9-26.5171.661.8179172.2161.7-1.8113.5S199 R200 P201 V202 S304 S305S199-R256 PolarHBondContact OG-NH2 2.81Å; R200-R256 HydrophobicContact CB-CB 4.37Å; R200-R256 HydrophobicContact CB-CG 4.46Å; R200-R256 HydrophobicContact CG-CB 3.93Å; R200-R256 HydrophobicContact CG-CG 4.39Å; R200-R256 WeakPolarHBondContact O-CD 3.37Å; R200-R256 WeakPolarHBondContact O-CG 3.34Å; R200-R256 PolarHBondContact O-NE 2.82Å; P201-R256 PolarHBondContact O-N 2.96Å; V202-R256 HydrophobicContact CG2-CG 4.33Å; R256-S304 PolarHBondContact NH1-O 3.01Å; R256-S304 PolarHBondContact NH2-O 3.14Å; R256-S305 PolarHBondContact NH1-O 3.07Å
257L98.6Very high97.9Very high0 Ų026.7 Ų26.70%012%0.123CC..EExtended strand (participates in β ladder)trans-147.4141.3-176175.965.2000108.2V202 I203 L259 V281 L301 Y308 I310V202-L257 CarbonylContact C-O 3.52Å; V202-L257 VanDerWaalsContact CA-O 3.28Å; V202-L257 WeakPolarHBondContact CA-O 3.45Å; V202-L257 HydrophobicContact CG1-CB 4.08Å; V202-L257 HydrophobicContact CG1-CD2 4.06Å; V202-L257 HydrophobicContact CG1-CG 4.04Å; V202-L257 HydrophobicContact CG2-CB 4.17Å; V202-L257 HydrophobicContact CG2-CD2 4.49Å; I203-L257 PolarHBondContact N-O 2.72Å; L257-L259 HydrophobicContact CD1-CD2 3.96Å; L257-L259 HydrophobicContact CD2-CD1 4.47Å; L257-L259 HydrophobicContact CD2-CD2 4.07Å; L257-L259 HydrophobicContact CD2-CG 4.27Å; L257-L259 HydrophobicContact CG-CD2 4.01Å; L257-L259 HydrophobicContact CG-CG 4.22Å; L257-V281 CarbonylContact C-O 3.56Å; L257-V281 WeakPolarHBondContact CA-O 3.15Å; L257-V281 WeakPolarHBondContact CD1-O 3.37Å; L257-L301 HydrophobicContact CD2-CD1 3.92Å; L257-L301 HydrophobicContact CD2-CD2 4.37Å; L257-Y308 HydrophobicContact CB-CE1 4.21Å; L257-Y308 HydrophobicContact CD1-CE2 3.98Å; L257-Y308 HydrophobicContact CD2-CD2 4.12Å; L257-Y308 HydrophobicContact CD2-CE2 4.28Å; L257-Y308 HydrophobicContact CD2-CG 4.28Å; L257-I310 HydrophobicContact CD1-CD1 3.95Å; L257-I310 HydrophobicContact CD2-CD1 4.12Å
258I98.9Very high97.9Very high0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-123.1132.8170.6-55.794.7000107.4I203 L209 L250 P255 A280 V281 E282 W283I203-I258 HydrophobicContact CB-CB 4.45Å; I203-I258 HydrophobicContact CB-CG1 4.08Å; I203-I258 HydrophobicContact CB-CG2 4.13Å; I203-I258 HydrophobicContact CD1-CG1 4.36Å; I203-I258 HydrophobicContact CG2-CG2 4.23Å; I203-I258 CarbonylContact O-C 3.59Å; I203-I258 WeakPolarHBondContact O-CA 3.19Å; L209-I258 HydrophobicContact CD1-CB 4.47Å; L209-I258 HydrophobicContact CD1-CD1 3.98Å; L209-I258 HydrophobicContact CD1-CG1 3.94Å; L209-I258 HydrophobicContact CD1-CG2 4.34Å; L209-I258 HydrophobicContact CG-CG2 4.27Å; L250-I258 HydrophobicContact CD2-CD1 4.17Å; P255-I258 HydrophobicContact CB-CG1 4.46Å; P255-I258 HydrophobicContact CG-CD1 3.93Å; P255-I258 HydrophobicContact CG-CG1 4.09Å; I258-A280 HydrophobicContact CD1-CB 3.51Å; I258-V281 PolarHBondContact N-O 3.1Å; I258-E282 HydrophobicContact CB-CB 4.08Å; I258-E282 HydrophobicContact CB-CG 4.08Å; I258-E282 HydrophobicContact CG2-CG 4.11Å; I258-E282 CarbonylContact O-C 3.57Å; I258-E282 VanDerWaalsContact O-CA 3.3Å; I258-E282 WeakPolarHBondContact O-CA 3.49Å; I258-W283 PolarHBondContact O-N 3.28Å
259L98.9Very high97.8Very high1 Ų125.1 Ų25.11%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-117.5122.8172.6-55.5179.4000108.6V2 L45 V202 I203 L204 Q205 L257 W283 L299 L301 I310V2-L259 HydrophobicContact CG1-CD1 4.14Å; V2-L259 HydrophobicContact CG2-CD1 3.93Å; L45-L259 HydrophobicContact CD1-CB 3.87Å; V202-L259 HydrophobicContact CG1-CG 4.46Å; I203-L259 PolarHBondContact O-N 3.13Å; L204-L259 HydrophobicContact CD2-CB 3.93Å; L204-L259 HydrophobicContact CD2-CD1 3.83Å; L204-L259 HydrophobicContact CD2-CG 4.17Å; Q205-L259 PolarHBondContact N-O 2.94Å; Q205-L259 VanDerWaalsContact N-O 3.14Å; L257-L259 HydrophobicContact CD1-CD2 3.96Å; L257-L259 HydrophobicContact CD2-CD1 4.47Å; L257-L259 HydrophobicContact CD2-CD2 4.07Å; L257-L259 HydrophobicContact CD2-CG 4.27Å; L257-L259 HydrophobicContact CG-CD2 4.01Å; L257-L259 HydrophobicContact CG-CG 4.22Å; L259-W283 WeakPolarHBondContact CA-O 3.13Å; L259-W283 HydrophobicContact CD2-CB 3.8Å; L259-L299 HydrophobicContact CD2-CD1 4.5Å; L259-L301 HydrophobicContact CD1-CD2 4.18Å; L259-I310 HydrophobicContact CD2-CD1 4.24Å
260S98.8Very high97.7Very high0 Ų028.6 Ų28.60%014%0.141CC..EExtended strand (participates in β ladder)trans-127169.2-179.155.50000112.1L45 Q205 E282 W283 S284 V285L45-S260 WeakPolarHBondContact CD1-O 3.46Å; Q205-S260 WeakPolarHBondContact O-CA 3.34Å; S260-E282 PolarHBondContact OG-OE1 3.49Å; S260-W283 PolarHBondContact N-O 3.08Å; S260-S284 CarbonylContact O-C 3.55Å; S260-S284 WeakPolarHBondContact O-CA 3.5Å; S260-S284 PolarHBondContact OG-OG 2.88Å; S260-V285 WeakPolarHBondContact O-CG2 3.39Å; S260-V285 PolarHBondContact O-N 2.65Å
261G98.6Very high97.6Very high0 Ų029.2 Ų29.20%014%0.144CC..  trans-126.8-130.1173.800000110.9H206 T263H206-G261 CarbonylContact O-C 3.56Å; H206-G261 PolarHBondContact O-N 2.76Å; G261-T263 PolarHBondContact O-N 3.13Å
262H98.5Very high97.5Very high25 Ų2531.1 Ų31.112%0.11615%0.153CC..SBendtrans72.6-44.6166.6-172.463.6000116D5 N86 H206 F207 L238 H264D5-H262 VanDerWaalsContact OD1-CA 3.25Å; D5-H262 WeakPolarHBondContact OD1-CA 3.44Å; D5-H262 PolarHBondContact OD1-N 3.29Å; D5-H262 VanDerWaalsContact OD1-N 3.08Å; D5-H262 PolarHBondContact OD2-N 3Å; N86-H262 PolarHBondContact OD1-CE1 3.3Å; N86-H262 PolarHBondContact OD1-ND1 2.9Å; N86-H262 VanDerWaalsContact OD1-ND1 3.13Å; H206-H262 AromaticContact CD2-ND1 3.79Å; H206-H262 VanDerWaalsContact CE1-CA 3.48Å; H206-H262 WeakPolarHBondContact CE1-CA 3.18Å; H206-H262 PolarHBondContact CE1-N 3.1Å; H206-H262 AromaticContact CE1-ND1 4Å; H206-H262 WeakPolarHBondContact NE2-CB 3.02Å; H206-H262 AromaticContact NE2-CG 3.6Å; H206-H262 AromaticContact NE2-ND1 3.09Å; H206-H262 PolarHBondContact NE2-ND1 2.99Å; F207-H262 HydrophobicContact CD1-CB 3.98Å; F207-H262 AromaticContact CD1-CD2 3.75Å; F207-H262 AromaticContact CD1-CE1 3.9Å; F207-H262 AromaticContact CD1-CG 3.48Å; F207-H262 VanDerWaalsContact CD1-CG 3.48Å; F207-H262 AromaticContact CD1-ND1 3.59Å; F207-H262 AromaticContact CE1-CD2 3.94Å; F207-H262 AromaticContact CE1-CE1 3.32Å; F207-H262 WeakPolarHBondContact CE1-CE1 3.44Å; F207-H262 AromaticContact CE1-CG 3.7Å; F207-H262 AromaticContact CE1-ND1 3.31Å; F207-H262 VanDerWaalsContact CE1-ND1 3.31Å; F207-H262 WeakPolarHBondContact CE1-ND1 3.02Å; F207-H262 AromaticContact CE1-NE2 3.74Å; L238-H262 PolarHBondContact O-NE2 3.27Å; H262-H264 PolarHBondContact O-CD2 3.37Å; H262-H264 PolarHBondContact O-N 2.91Å
263T96.9Very high97.4Very high21 Ų2129.7 Ų29.713%0.12914%0.141CC..SBendtrans-77.5-5.8-178.664.80000112.9P208 G261 Y265P208-T263 HydrophobicContact CG-CG2 3.71Å; G261-T263 PolarHBondContact O-N 3.13Å; T263-Y265 WeakPolarHBondContact O-CD2 3.28Å; T263-Y265 PolarHBondContact O-N 3.47Å; T263-Y265 PolarHBondContact OG1-O 3.5Å
264H97.9Very high96.8Very high42 Ų4230.1 Ų30.119%0.19415%0.147CC..SBendtrans62.6-8.5-175.5-52.2172.2000115.5D5 H7 H262 A286 S287 N292D5-H264 IonicContact OD1-CD2 3.75Å; D5-H264 PolarHBondContact OD1-CD2 3.44Å; D5-H264 IonicContact OD1-NE2 2.76Å; H7-H264 AromaticContact CD2-NE2 3.83Å; H7-H264 AromaticContact CE1-NE2 3.99Å; H7-H264 AromaticContact NE2-CE1 3.75Å; H7-H264 AromaticContact NE2-NE2 3.09Å; H7-H264 PolarHBondContact NE2-NE2 3.45Å; H262-H264 PolarHBondContact O-CD2 3.37Å; H262-H264 PolarHBondContact O-N 2.91Å; H264-A286 WeakPolarHBondContact O-CA 3.3Å; H264-S287 PolarHBondContact O-N 2.86Å; H264-N292 HydrophobicContact CB-CB 3.98Å; H264-N292 VanDerWaalsContact CE1-CG 3.47Å; H264-N292 PolarHBondContact CE1-OD1 2.87Å; H264-N292 VanDerWaalsContact CE1-OD1 3.28Å; H264-N292 WeakPolarHBondContact ND1-CB 3.42Å; H264-N292 VanDerWaalsContact ND1-CG 3.3Å; H264-N292 PolarHBondContact ND1-OD1 2.93Å
265Y97.9Very high96.2Very high50 Ų5033.8 Ų33.820%0.19617%0.173CC..SBendtrans-117.9148-177.9-61.6-75000110.9D223 M225 T263 C267 L293D223-Y265 WeakPolarHBondContact O-CA 3.44Å; M225-Y265 HydrophobicContact CB-CD1 4.17Å; M225-Y265 HydrophobicContact CB-CD2 3.8Å; M225-Y265 HydrophobicContact CB-CE2 4.47Å; M225-Y265 HydrophobicContact CB-CG 3.65Å; M225-Y265 HydrophobicContact CE-CD2 3.58Å; M225-Y265 HydrophobicContact CE-CE2 4.16Å; M225-Y265 HydrophobicContact CE-CG 4.45Å; M225-Y265 HydrophobicContact CG-CD2 3.81Å; M225-Y265 HydrophobicContact CG-CE2 4.09Å; M225-Y265 HydrophobicContact CG-CG 4.16Å; T263-Y265 WeakPolarHBondContact O-CD2 3.28Å; T263-Y265 PolarHBondContact O-N 3.47Å; T263-Y265 PolarHBondContact OG1-O 3.5Å; Y265-C267 PolarHBondContact O-N 3.16Å; Y265-L293 HydrophobicContact CD1-CD1 3.69Å; Y265-L293 HydrophobicContact CE1-CD1 3.47Å; Y265-L293 VanDerWaalsContact CE1-CD1 3.47Å
266S97.1Very high95.3Very high5 Ų541 Ų414%0.03521%0.207CC..  trans-76.1133.2177.7-176.80000112.8D223 S284 K312D223-S266 PolarHBondContact O-N 2.63Å; D223-S266 WeakPolarHBondContact OD2-CB 3.16Å; S266-S284 VanDerWaalsContact CA-O 3.25Å; S266-S284 WeakPolarHBondContact CA-O 3.49Å; S266-S284 PolarHBondContact OG-O 3.44Å; S266-K312 VanDerWaalsContact OG-CE 3.3Å; S266-K312 WeakPolarHBondContact OG-CE 3.42Å; S266-K312 PolarHBondContact OG-NZ 3.11Å
267C97.7Very high94.9Very high1 Ų144.1 Ų44.11%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-133.8141.2170.8-178.20000109.9C217 Y265 W283 S284C217-C267 HydrophobicContact CB-CB 3.79Å; C217-C267 WeakPolarHBondContact CB-SG 3.16Å; C217-C267 WeakPolarHBondContact SG-CB 3.45Å; C217-C267 CovalentContact SG-SG 2.02Å; C217-C267 PolarHBondContact SG-SG 2.91Å; Y265-C267 PolarHBondContact O-N 3.16Å; C267-W283 CarbonylContact O-C 3.59Å; C267-W283 VanDerWaalsContact O-CA 3.31Å; C267-W283 WeakPolarHBondContact O-CA 3.11Å; C267-S284 PolarHBondContact N-O 3.41Å; C267-S284 PolarHBondContact O-N 3.49Å
268K97.1Very high94.6Very high105 Ų10546 Ų4646%0.45724%0.242SC..EExtended strand (participates in β ladder)trans-116.3126.2165.5-175.4-170.4-170.6178.50107.8V281 E282 W283K268-V281 HydrophobicContact CD-CG1 4.41Å; K268-V281 HydrophobicContact CG-CG1 3.89Å; K268-E282 WeakPolarHBondContact CA-O 3.47Å; K268-W283 HydrophobicContact CB-CD2 4.04Å; K268-W283 HydrophobicContact CB-CE3 4Å; K268-W283 HydrophobicContact CB-CH2 4.17Å; K268-W283 HydrophobicContact CB-CZ2 4.21Å; K268-W283 HydrophobicContact CB-CZ3 4.04Å; K268-W283 HydrophobicContact CD-CH2 3.92Å; K268-W283 HydrophobicContact CD-CZ2 3.42Å; K268-W283 VanDerWaalsContact CD-CZ2 3.42Å; K268-W283 HydrophobicContact CG-CD2 4Å; K268-W283 HydrophobicContact CG-CE3 4.43Å; K268-W283 HydrophobicContact CG-CH2 4.29Å; K268-W283 HydrophobicContact CG-CZ2 3.83Å
269M95.5Very high94.5Very high36 Ų3649.3 Ų49.318%0.17726%0.262CS..EExtended strand (participates in β ladder)trans-138.4153.3-179-162.8165.56700110.7R211 H271 V281 E282R211-M269 HydrophobicContact CB-CE 3.64Å; R211-M269 HydrophobicContact CB-SD 3.73Å; R211-M269 VanDerWaalsContact CD-SD 3.51Å; R211-M269 HydrophobicContact CG-CE 3.9Å; R211-M269 HydrophobicContact CG-SD 4.19Å; M269-H271 WeakPolarHBondContact CE-CE1 3.41Å; M269-H271 WeakPolarHBondContact CE-NE2 3.39Å; M269-V281 CarbonylContact O-C 3.57Å; M269-V281 WeakPolarHBondContact O-CA 3.25Å; M269-E282 WeakPolarHBondContact CE-OE2 3.02Å; M269-E282 PolarHBondContact N-O 3.2Å; M269-E282 PolarHBondContact O-N 3.22Å
270S96.2Very high94.4Very high74 Ų7449.3 Ų49.352%0.51726%0.263SS..EExtended strand (participates in β ladder)trans-110.9130.9174.4-168.50000109.2
271H97Very high94.3Very high18 Ų1850.6 Ų50.68%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-105.5137.8174.6-67.6-88.4000109.6L209 L250 M269 T279 A280 E282L209-H271 WeakPolarHBondContact CB-CE1 3.3Å; L250-H271 HydrophobicContact CD1-CB 3.88Å; L250-H271 HydrophobicContact CD2-CB 4.49Å; M269-H271 WeakPolarHBondContact CE-CE1 3.41Å; M269-H271 WeakPolarHBondContact CE-NE2 3.39Å; H271-T279 CarbonylContact O-C 3.38Å; H271-T279 VanDerWaalsContact O-CA 3.22Å; H271-T279 WeakPolarHBondContact O-CA 3.03Å; H271-A280 PolarHBondContact N-O 3.33Å; H271-A280 PolarHBondContact O-N 3.28Å; H271-E282 IonicContact CD2-OE2 3.67Å; H271-E282 IonicContact CE1-OE2 3.7Å; H271-E282 IonicContact NE2-OE2 2.94Å; H271-E282 PolarHBondContact NE2-OE2 2.96Å
272Q95.2Very high94.3Very high121 Ų12150.7 Ų50.757%0.56527%0.271SS*.EExtended strand (participates in β ladder)trans-108.9138.2172.7-67.7-174.6-24.100109.5D278 T279Q272-D278 WeakPolarHBondContact CA-O 3.1Å; Q272-T279 HydrophobicContact CG-CG2 4.1Å
273F94.7Very high94.3Very high11 Ų1151.2 Ų51.25%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-151.4175.1179.662.2-84.6000111.2L250 R254 Q276 S277 D278 A280L250-F273 HydrophobicContact CB-CB 3.95Å; L250-F273 HydrophobicContact CB-CD1 4.03Å; L250-F273 HydrophobicContact CB-CD2 4.27Å; L250-F273 HydrophobicContact CB-CG 3.82Å; L250-F273 HydrophobicContact CD1-CB 4.28Å; L250-F273 HydrophobicContact CD1-CD1 4.25Å; L250-F273 HydrophobicContact CD2-CD1 4.09Å; L250-F273 HydrophobicContact CD2-CE1 4.23Å; L250-F273 HydrophobicContact CG-CD1 4.36Å; L250-F273 WeakPolarHBondContact O-CD2 3.22Å; L250-F273 WeakPolarHBondContact O-CE2 3.37Å; R254-F273 HydrophobicContact CB-CE2 3.82Å; R254-F273 HydrophobicContact CB-CZ 4.18Å; R254-F273 HydrophobicContact CG-CE2 3.94Å; F273-Q276 PolarHBondContact O-N 2.91Å; F273-S277 PolarHBondContact O-N 3.45Å; F273-D278 HydrophobicContact CD1-CB 4.31Å; F273-D278 HydrophobicContact CD2-CB 3.98Å; F273-D278 HydrophobicContact CE1-CB 3.92Å; F273-D278 HydrophobicContact CE2-CB 3.54Å; F273-D278 HydrophobicContact CG-CB 4.35Å; F273-D278 HydrophobicContact CZ-CB 3.53Å; F273-D278 PolarHBondContact N-O 3.28Å; F273-D278 PolarHBondContact O-N 3.07Å; F273-D278 VanDerWaalsContact O-N 3.16Å; F273-A280 HydrophobicContact CE1-CB 3.85Å
274G86.6Confident94.4Very high15 Ų1550.2 Ų50.216%0.15527%0.266CS..THydrogen-bonded Turntrans60.756.3-17800000112.1Q276 S277G274-Q276 VanDerWaalsContact C-N 3.26Å; G274-Q276 PolarHBondContact O-N 2.94Å; G274-S277 WeakPolarHBondContact O-CB 3.44Å; G274-S277 PolarHBondContact O-N 3.16Å; G274-S277 PolarHBondContact O-OG 3.26Å
275N84Confident94.4Very high163 Ų16348.3 Ų48.387%0.87226%0.257SS*.THydrogen-bonded Turntrans56.637.8-173.9-58.4-20.3000113.4S277N275-S277 PolarHBondContact O-N 2.02Å; N275-S277 VanDerWaalsContact O-N 3.16Å
276Q79.5Confident94.4Very high152 Ų15246 Ų4671%0.7125%0.248SC*.THydrogen-bonded Turntrans6412.4-179.6-53.8175.3-8.200115F273 G274F273-Q276 PolarHBondContact O-N 2.91Å; G274-Q276 VanDerWaalsContact C-N 3.26Å; G274-Q276 PolarHBondContact O-N 2.94Å
277S87.5Confident94.5Very high86 Ų8645.7 Ų45.760%0.60125%0.246SC*.THydrogen-bonded Turntrans-78-29.7177.1630000112.9F273 G274 N275F273-S277 PolarHBondContact O-N 3.45Å; G274-S277 WeakPolarHBondContact O-CB 3.44Å; G274-S277 PolarHBondContact O-N 3.16Å; G274-S277 PolarHBondContact O-OG 3.26Å; N275-S277 PolarHBondContact O-N 2.02Å; N275-S277 VanDerWaalsContact O-N 3.16Å
278D93.1Very high94.5Very high39 Ų3945.7 Ų45.721%0.20925%0.246CC..EExtended strand (participates in β ladder)trans-112.7149.6-177.6-91.2-24.3000112.1R254 Q272 F273R254-D278 IonicContact CZ-OD2 2.65Å; R254-D278 IonicContact NE-OD2 3.68Å; R254-D278 PolarHBondContact NE-OD2 2.7Å; R254-D278 IonicContact NH2-OD2 3.59Å; R254-D278 PolarHBondContact NH2-OD2 2.94Å; Q272-D278 WeakPolarHBondContact CA-O 3.1Å; F273-D278 HydrophobicContact CD1-CB 4.31Å; F273-D278 HydrophobicContact CD2-CB 3.98Å; F273-D278 HydrophobicContact CE1-CB 3.92Å; F273-D278 HydrophobicContact CE2-CB 3.54Å; F273-D278 HydrophobicContact CG-CB 4.35Å; F273-D278 HydrophobicContact CZ-CB 3.53Å; F273-D278 PolarHBondContact N-O 3.28Å; F273-D278 PolarHBondContact O-N 3.07Å; F273-D278 VanDerWaalsContact O-N 3.16Å
279T95.5Very high94.5Very high70 Ų7040.7 Ų40.743%0.42922%0.224SC..EExtended strand (participates in β ladder)trans-126.5148.7173.465.90000111.3R200 H271 Q272R200-T279 PolarHBondContact NH2-O 3.36Å; H271-T279 CarbonylContact O-C 3.38Å; H271-T279 VanDerWaalsContact O-CA 3.22Å; H271-T279 WeakPolarHBondContact O-CA 3.03Å; Q272-T279 HydrophobicContact CG-CG2 4.1Å
280A96.9Very high94.3Very high2 Ų240 Ų402%0.01722%0.219CC..EExtended strand (participates in β ladder)trans-137.6138.7168.300000109.4L250 P255 I258 H271 F273L250-A280 HydrophobicContact CD2-CB 4.36Å; P255-A280 HydrophobicContact CG-CB 4.2Å; P255-A280 VanDerWaalsContact O-CB 3.28Å; P255-A280 WeakPolarHBondContact O-CB 3.31Å; I258-A280 HydrophobicContact CD1-CB 3.51Å; H271-A280 PolarHBondContact N-O 3.33Å; H271-A280 PolarHBondContact O-N 3.28Å; F273-A280 HydrophobicContact CE1-CB 3.85Å
281V97.7Very high94Very high27 Ų2740.1 Ų40.116%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-91.6131.6176.8178.20000108.6L257 I258 K268 M269 Y308L257-V281 CarbonylContact C-O 3.56Å; L257-V281 WeakPolarHBondContact CA-O 3.15Å; L257-V281 WeakPolarHBondContact CD1-O 3.37Å; I258-V281 PolarHBondContact N-O 3.1Å; K268-V281 HydrophobicContact CD-CG1 4.41Å; K268-V281 HydrophobicContact CG-CG1 3.89Å; M269-V281 CarbonylContact O-C 3.57Å; M269-V281 WeakPolarHBondContact O-CA 3.25Å; V281-Y308 WeakPolarHBondContact CB-OH 3.48Å
282E98.6Very high93.7Very high1 Ų141 Ų411%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-102.4136.1168.5-179.8-178-159.800110.2P208 L209 I258 S260 K268 M269 H271P208-E282 WeakPolarHBondContact CA-OE1 3.44Å; P208-E282 WeakPolarHBondContact CB-OE1 3.5Å; L209-E282 PolarHBondContact N-OE1 3.33Å; I258-E282 HydrophobicContact CB-CB 4.08Å; I258-E282 HydrophobicContact CB-CG 4.08Å; I258-E282 HydrophobicContact CG2-CG 4.11Å; I258-E282 CarbonylContact O-C 3.57Å; I258-E282 VanDerWaalsContact O-CA 3.3Å; I258-E282 WeakPolarHBondContact O-CA 3.49Å; S260-E282 PolarHBondContact OG-OE1 3.49Å; K268-E282 WeakPolarHBondContact CA-O 3.47Å; M269-E282 WeakPolarHBondContact CE-OE2 3.02Å; M269-E282 PolarHBondContact N-O 3.2Å; M269-E282 PolarHBondContact O-N 3.22Å; H271-E282 IonicContact CD2-OE2 3.67Å; H271-E282 IonicContact CE1-OE2 3.7Å; H271-E282 IonicContact NE2-OE2 2.94Å; H271-E282 PolarHBondContact NE2-OE2 2.96Å
283W98.5Very high93.6Very high37 Ų3736 Ų3614%0.1419%0.191CC..EExtended strand (participates in β ladder)trans-117.8113.3165.5-74.483.9000110.3I258 L259 S260 C267 K268 L299 I310I258-W283 PolarHBondContact O-N 3.28Å; L259-W283 WeakPolarHBondContact CA-O 3.13Å; L259-W283 HydrophobicContact CD2-CB 3.8Å; S260-W283 PolarHBondContact N-O 3.08Å; C267-W283 CarbonylContact O-C 3.59Å; C267-W283 VanDerWaalsContact O-CA 3.31Å; C267-W283 WeakPolarHBondContact O-CA 3.11Å; K268-W283 HydrophobicContact CB-CD2 4.04Å; K268-W283 HydrophobicContact CB-CE3 4Å; K268-W283 HydrophobicContact CB-CH2 4.17Å; K268-W283 HydrophobicContact CB-CZ2 4.21Å; K268-W283 HydrophobicContact CB-CZ3 4.04Å; K268-W283 HydrophobicContact CD-CH2 3.92Å; K268-W283 HydrophobicContact CD-CZ2 3.42Å; K268-W283 VanDerWaalsContact CD-CZ2 3.42Å; K268-W283 HydrophobicContact CG-CD2 4Å; K268-W283 HydrophobicContact CG-CE3 4.43Å; K268-W283 HydrophobicContact CG-CH2 4.29Å; K268-W283 HydrophobicContact CG-CZ2 3.83Å; W283-L299 HydrophobicContact CB-CD1 4.16Å; W283-I310 VanDerWaalsContact CD1-CD1 3.48Å; W283-I310 HydrophobicContact CD2-CD1 4.32Å; W283-I310 HydrophobicContact CD2-CG2 4.45Å; W283-I310 HydrophobicContact CG-CD1 3.95Å; W283-I310 HydrophobicContact CZ2-CG2 4.39Å
284S98.4Very high93.3Very high0 Ų038.8 Ų38.80%022%0.216CC..EExtended strand (participates in β ladder)trans-79.1125163.1-49.90000108.3R211 S260 S266 C267R211-S284 PolarHBondContact NH1-OG 2.83Å; S260-S284 CarbonylContact O-C 3.55Å; S260-S284 WeakPolarHBondContact O-CA 3.5Å; S260-S284 PolarHBondContact OG-OG 2.88Å; S266-S284 VanDerWaalsContact CA-O 3.25Å; S266-S284 WeakPolarHBondContact CA-O 3.49Å; S266-S284 PolarHBondContact OG-O 3.44Å; C267-S284 PolarHBondContact N-O 3.41Å; C267-S284 PolarHBondContact O-N 3.49Å
285V98.5Very high93.6Very high1 Ų140.2 Ų40.21%0.00622%0.22CC..PPolyproline II helixtrans-84.1132.2-178.9-1760000108.3V2 A4 L45 S260 L299V2-V285 HydrophobicContact CG1-CG2 4.11Å; A4-V285 HydrophobicContact CB-CB 3.95Å; A4-V285 HydrophobicContact CB-CG1 4.1Å; L45-V285 HydrophobicContact CD1-CB 4.22Å; L45-V285 HydrophobicContact CD1-CG2 3.55Å; S260-V285 WeakPolarHBondContact O-CG2 3.39Å; S260-V285 PolarHBondContact O-N 2.65Å; V285-L299 HydrophobicContact CG1-CG 4.27Å; V285-L299 HydrophobicContact CG2-CD1 3.67Å; V285-L299 HydrophobicContact CG2-CG 4.03Å
286A98.1Very high94.2Very high1 Ų132.4 Ų32.41%0.00818%0.179CC..PPolyproline II helixtrans-70.2156.7174.700000110.8D223 H264 F288 L293D223-A286 HydrophobicContact CB-CB 3.75Å; D223-A286 WeakPolarHBondContact OD2-CB 3.41Å; H264-A286 WeakPolarHBondContact O-CA 3.3Å; A286-F288 PolarHBondContact O-N 3.45Å; A286-L293 HydrophobicContact CB-CD2 3.9Å
287S98.3Very high95Very high0 Ų025.2 Ų25.20%015%0.145CC..BIsolated β-bridgetrans-59.3139.9179.6175.20000111.8A4 D5 H264 S289 N292 P296 G297A4-S287 WeakPolarHBondContact O-CA 3.19Å; D5-S287 PolarHBondContact O-OG 2.96Å; H264-S287 PolarHBondContact O-N 2.86Å; S287-S289 PolarHBondContact O-N 3.3Å; S287-S289 PolarHBondContact OG-N 3.1Å; S287-S289 VanDerWaalsContact OG-N 3.13Å; S287-S289 PolarHBondContact OG-O 3.46Å; S287-N292 PolarHBondContact OG-ND2 3.08Å; S287-N292 VanDerWaalsContact OG-ND2 3.16Å; S287-P296 WeakPolarHBondContact O-CA 3.25Å; S287-P296 WeakPolarHBondContact O-CB 3.38Å; S287-G297 PolarHBondContact O-N 3.19Å
288F98Very high95.5Very high0 Ų021.5 Ų21.50%012%0.118CC..SBendtrans-80.3-3.5173.8-167.4-102.9000113.2L3 A4 T6 Q25 M26 A29 F30 F71 A286 P296 F298 L315L3-F288 HydrophobicContact CB-CB 4.23Å; L3-F288 HydrophobicContact CB-CD2 4Å; L3-F288 HydrophobicContact CB-CG 4.24Å; L3-F288 HydrophobicContact CD1-CB 4.33Å; L3-F288 HydrophobicContact CD1-CG 4.41Å; A4-F288 PolarHBondContact O-N 3.2Å; T6-F288 HydrophobicContact CG2-CB 4.09Å; T6-F288 HydrophobicContact CG2-CD1 4.32Å; Q25-F288 PolarHBondContact NE2-O 3.2Å; Q25-F288 VanDerWaalsContact NE2-O 3.09Å; M26-F288 HydrophobicContact CB-CD1 4.42Å; M26-F288 HydrophobicContact CB-CE1 4.26Å; M26-F288 HydrophobicContact CG-CD1 4.11Å; M26-F288 HydrophobicContact CG-CE1 4.39Å; A29-F288 HydrophobicContact CB-CE1 4.05Å; A29-F288 HydrophobicContact CB-CZ 3.68Å; F30-F288 HydrophobicContact CB-CE1 4.39Å; F30-F288 HydrophobicContact CB-CZ 4.32Å; F71-F288 HydrophobicContact CE1-CE1 4.47Å; A286-F288 PolarHBondContact O-N 3.45Å; F288-P296 VanDerWaalsContact C-CB 3.49Å; F288-F298 HydrophobicContact CD2-CB 4.07Å; F288-F298 HydrophobicContact CD2-CD1 4.12Å; F288-F298 HydrophobicContact CE2-CB 4.26Å; F288-F298 AromaticContact CE2-CD1 3.61Å; F288-F298 HydrophobicContact CE2-CD1 3.61Å; F288-F298 HydrophobicContact CE2-CE1 4.31Å; F288-F298 HydrophobicContact CE2-CG 4.25Å; F288-L315 HydrophobicContact CD1-CD1 4.5Å; F288-L315 HydrophobicContact CD2-CD1 3.94Å; F288-L315 HydrophobicContact CE1-CD1 4.32Å; F288-L315 HydrophobicContact CE2-CD1 3.75Å; F288-L315 HydrophobicContact CE2-CD2 4.14Å; F288-L315 HydrophobicContact CE2-CG 4.37Å; F288-L315 HydrophobicContact CG-CD1 4.32Å; F288-L315 HydrophobicContact CZ-CD1 3.95Å; F288-L315 HydrophobicContact CZ-CD2 4.48Å
289S95.7Very high95.8Very high0 Ų019.8 Ų19.80%011%0.109CC..SBendtrans-115.5135.4-171-177.70000112.3T6 S287 R291 N292 L293T6-S289 WeakPolarHBondContact O-CB 3.2Å; T6-S289 PolarHBondContact O-OG 3.33Å; S287-S289 PolarHBondContact O-N 3.3Å; S287-S289 PolarHBondContact OG-N 3.1Å; S287-S289 VanDerWaalsContact OG-N 3.13Å; S287-S289 PolarHBondContact OG-O 3.46Å; S289-R291 PolarHBondContact O-N 2.97Å; S289-R291 VanDerWaalsContact O-N 3.08Å; S289-R291 WeakPolarHBondContact OG-CB 3.35Å; S289-R291 PolarHBondContact OG-N 3.05Å; S289-N292 PolarHBondContact O-N 3.37Å; S289-L293 PolarHBondContact O-N 3.08Å
290W92Very high95.9Very high21 Ų2118.2 Ų18.28%0.0810%0.097CC..THydrogen-bonded Turntrans-61-14.6171-72.6-38.3000114.3Q25 N292 L293 P296 P316 E318 L321Q25-W290 HydrophobicContact CB-CD2 4.15Å; Q25-W290 HydrophobicContact CB-CE3 3.45Å; Q25-W290 VanDerWaalsContact CB-CE3 3.45Å; Q25-W290 HydrophobicContact CB-CH2 4.02Å; Q25-W290 HydrophobicContact CB-CZ3 3.42Å; Q25-W290 VanDerWaalsContact CB-CZ3 3.42Å; Q25-W290 HydrophobicContact CG-CD2 3.57Å; Q25-W290 HydrophobicContact CG-CE3 3.42Å; Q25-W290 VanDerWaalsContact CG-CE3 3.42Å; Q25-W290 HydrophobicContact CG-CG 4.37Å; Q25-W290 HydrophobicContact CG-CH2 3.79Å; Q25-W290 HydrophobicContact CG-CZ2 3.84Å; Q25-W290 HydrophobicContact CG-CZ3 3.58Å; W290-N292 PolarHBondContact O-N 3.17Å; W290-L293 WeakPolarHBondContact CA-O 3.29Å; W290-P296 HydrophobicContact CG-CG 4.16Å; W290-P316 VanDerWaalsContact CZ2-O 3.28Å; W290-P316 WeakPolarHBondContact CZ2-O 3.24Å; W290-P316 PolarHBondContact NE1-O 3.03Å; W290-E318 HydrophobicContact CD2-CB 3.99Å; W290-E318 HydrophobicContact CE3-CB 4.23Å; W290-E318 HydrophobicContact CE3-CG 4.34Å; W290-E318 HydrophobicContact CG-CB 4.5Å; W290-E318 HydrophobicContact CH2-CB 4.16Å; W290-E318 HydrophobicContact CH2-CG 4.33Å; W290-E318 VanDerWaalsContact CZ2-CA 3.42Å; W290-E318 HydrophobicContact CZ2-CB 3.99Å; W290-E318 HydrophobicContact CZ3-CB 4.27Å; W290-E318 HydrophobicContact CZ3-CG 4.17Å; W290-L321 HydrophobicContact CH2-CB 4.31Å; W290-L321 HydrophobicContact CH2-CD1 3.4Å; W290-L321 HydrophobicContact CH2-CG 4.4Å; W290-L321 HydrophobicContact CZ2-CD1 3.62Å
291R89.3Confident96Very high78 Ų7819.4 Ų19.429%0.29410%0.103SC..THydrogen-bonded Turntrans-55.2-39.6173.7179.1177.1178.176.1-4.1111.5D50 S289D50-R291 IonicContact OD2-CZ 3.95Å; D50-R291 IonicContact OD2-NE 2.72Å; D50-R291 PolarHBondContact OD2-NE 3.45Å; D50-R291 IonicContact OD2-NH2 3.13Å; D50-R291 PolarHBondContact OD2-NH2 3.26Å; S289-R291 PolarHBondContact O-N 2.97Å; S289-R291 VanDerWaalsContact O-N 3.08Å; S289-R291 WeakPolarHBondContact OG-CB 3.35Å; S289-R291 PolarHBondContact OG-N 3.05Å
292N91.4Very high96Very high36 Ų3622 Ų2219%0.19312%0.122CC..THydrogen-bonded Turntrans-105.9-27.4-170-64-43.4000112.9D5 H7 H264 S287 S289 W290D5-N292 PolarHBondContact O-ND2 2.92Å; H7-N292 PolarHBondContact CD2-ND2 3.42Å; H264-N292 HydrophobicContact CB-CB 3.98Å; H264-N292 VanDerWaalsContact CE1-CG 3.47Å; H264-N292 PolarHBondContact CE1-OD1 2.87Å; H264-N292 VanDerWaalsContact CE1-OD1 3.28Å; H264-N292 WeakPolarHBondContact ND1-CB 3.42Å; H264-N292 VanDerWaalsContact ND1-CG 3.3Å; H264-N292 PolarHBondContact ND1-OD1 2.93Å; S287-N292 PolarHBondContact OG-ND2 3.08Å; S287-N292 VanDerWaalsContact OG-ND2 3.16Å; S289-N292 PolarHBondContact O-N 3.37Å; W290-N292 PolarHBondContact O-N 3.17Å
293L92.2Very high96Very high17 Ų1724 Ų249%0.08913%0.132CC..  trans-146.3135.5-171.3-167.364.3000111.9D223 Y265 A286 S289 W290 N295 P296D223-L293 HydrophobicContact CB-CD2 3.69Å; Y265-L293 HydrophobicContact CD1-CD1 3.69Å; Y265-L293 HydrophobicContact CE1-CD1 3.47Å; Y265-L293 VanDerWaalsContact CE1-CD1 3.47Å; A286-L293 HydrophobicContact CB-CD2 3.9Å; S289-L293 PolarHBondContact O-N 3.08Å; W290-L293 WeakPolarHBondContact CA-O 3.29Å; L293-N295 VanDerWaalsContact CD2-O 3.26Å; L293-N295 WeakPolarHBondContact CD2-O 3.48Å; L293-N295 PolarHBondContact O-N 3.32Å; L293-P296 WeakPolarHBondContact O-CD 3.38Å
294A90.3Very high95.9Very high69 Ų6924.6 Ų24.657%0.5714%0.143SC*.SBendtrans-67.5-25.6176.600000113.3P296 T317A294-P296 VanDerWaalsContact C-CD 3.43Å; A294-P296 WeakPolarHBondContact O-CD 3.12Å; A294-T317 WeakPolarHBondContact O-CG2 3.28Å
295N92.6Very high95.5Very high44 Ų4427.6 Ų27.624%0.23516%0.164CC..SBendtrans-119.765.2178.9-52.8-61.8000110.3I222 L293 T317I222-N295 HydrophobicContact CD1-CB 3.93Å; I222-N295 HydrophobicContact CG1-CB 4.06Å; I222-N295 PolarHBondContact O-ND2 3.39Å; L293-N295 VanDerWaalsContact CD2-O 3.26Å; L293-N295 WeakPolarHBondContact CD2-O 3.48Å; L293-N295 PolarHBondContact O-N 3.32Å; N295-T317 WeakPolarHBondContact OD1-CG2 3.47Å
296P96Very high95.2Very high0 Ų033.4 Ų33.40%020%0.199CC..  trans-66.4159.3-178.927.4-28.2000110.3S287 F288 W290 L293 A294 L315S287-P296 WeakPolarHBondContact O-CA 3.25Å; S287-P296 WeakPolarHBondContact O-CB 3.38Å; F288-P296 VanDerWaalsContact C-CB 3.49Å; W290-P296 HydrophobicContact CG-CG 4.16Å; L293-P296 WeakPolarHBondContact O-CD 3.38Å; A294-P296 VanDerWaalsContact C-CD 3.43Å; A294-P296 WeakPolarHBondContact O-CD 3.12Å; P296-L315 HydrophobicContact CB-CD1 4.2Å; P296-L315 HydrophobicContact CG-CB 4.12Å; P296-L315 HydrophobicContact CG-CD1 4.1Å; P296-L315 WeakPolarHBondContact O-CB 3.08Å; P296-L315 PolarHBondContact O-N 3.09Å
297G96.5Very high95.1Very high1 Ų138.5 Ų38.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-165.7-177-175.300000113.2S287 C313S287-G297 PolarHBondContact O-N 3.19Å; G297-C313 CarbonylContact C-O 3.59Å; G297-C313 WeakPolarHBondContact CA-O 3.21Å
298F98.3Very high95.1Very high7 Ų741.4 Ų41.43%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-146.8167.4175.760.8-86.4000109.6M1 V2 L3 S33 H37 F288 M300 C313 L315M1-F298 HydrophobicContact CG-CD2 3.53Å; M1-F298 HydrophobicContact CG-CE2 3.9Å; M1-F298 HydrophobicContact CG-CG 4.26Å; M1-F298 HydrophobicContact SD-CD2 3.76Å; M1-F298 HydrophobicContact SD-CE2 3.64Å; M1-F298 HydrophobicContact SD-CG 4.34Å; M1-F298 HydrophobicContact SD-CZ 4.16Å; V2-F298 WeakPolarHBondContact O-CA 3.17Å; V2-F298 WeakPolarHBondContact O-CB 3.26Å; L3-F298 HydrophobicContact CB-CB 4.06Å; S33-F298 WeakPolarHBondContact OG-CE1 3.44Å; S33-F298 VanDerWaalsContact OG-CZ 3.3Å; S33-F298 WeakPolarHBondContact OG-CZ 3.43Å; H37-F298 AromaticContact CD2-CE2 3.9Å; H37-F298 AromaticContact CD2-CZ 3.64Å; H37-F298 AromaticContact NE2-CZ 3.76Å; F288-F298 HydrophobicContact CD2-CB 4.07Å; F288-F298 HydrophobicContact CD2-CD1 4.12Å; F288-F298 HydrophobicContact CE2-CB 4.26Å; F288-F298 AromaticContact CE2-CD1 3.61Å; F288-F298 HydrophobicContact CE2-CD1 3.61Å; F288-F298 HydrophobicContact CE2-CE1 4.31Å; F288-F298 HydrophobicContact CE2-CG 4.25Å; F298-M300 HydrophobicContact CD2-CG 4.27Å; F298-M300 HydrophobicContact CD2-SD 4.31Å; F298-M300 HydrophobicContact CE2-CG 3.8Å; F298-M300 HydrophobicContact CE2-SD 3.84Å; F298-C313 HydrophobicContact CD1-CB 3.97Å; F298-C313 HydrophobicContact CD2-CB 3.84Å; F298-C313 HydrophobicContact CE1-CB 3.54Å; F298-C313 HydrophobicContact CE2-CB 3.41Å; F298-C313 VanDerWaalsContact CE2-CB 3.41Å; F298-C313 HydrophobicContact CG-CB 4.14Å; F298-C313 HydrophobicContact CZ-CB 3.25Å; F298-C313 PolarHBondContact N-O 2.67Å; F298-C313 PolarHBondContact O-N 3.42Å; F298-L315 HydrophobicContact CD1-CD2 4.05Å; F298-L315 HydrophobicContact CE1-CD2 3.81Å
299L98.6Very high95.1Very high3 Ų344.2 Ų44.22%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-100.8138.3174.2-55.7-173000111.2M1 V2 L259 W283 V285 I310 N311 K312M1-L299 CarbonylContact C-O 3.59Å; M1-L299 WeakPolarHBondContact CA-O 3.22Å; V2-L299 HydrophobicContact CB-CB 4.3Å; V2-L299 PolarHBondContact N-O 2.94Å; V2-L299 PolarHBondContact O-N 2.66Å; L259-L299 HydrophobicContact CD2-CD1 4.5Å; W283-L299 HydrophobicContact CB-CD1 4.16Å; V285-L299 HydrophobicContact CG1-CG 4.27Å; V285-L299 HydrophobicContact CG2-CD1 3.67Å; V285-L299 HydrophobicContact CG2-CG 4.03Å; L299-I310 HydrophobicContact CB-CG2 4.23Å; L299-I310 HydrophobicContact CD1-CG2 3.9Å; L299-I310 HydrophobicContact CD2-CG2 4.04Å; L299-I310 HydrophobicContact CG-CG2 4.29Å; L299-N311 CarbonylContact C-O 3.53Å; L299-N311 WeakPolarHBondContact CA-O 2.93Å; L299-K312 HydrophobicContact CD2-CG 3.68Å
300M98.6Very high95.2Very high38 Ų3845.5 Ų45.519%0.18726%0.264CS..EExtended strand (participates in β ladder)trans-99.8106.5161.8-73.3-59.4-65.100108.6M1 H37 P39 F298 I310 N311 C313M1-M300 HydrophobicContact CB-SD 3.8Å; M1-M300 HydrophobicContact CG-SD 4.08Å; H37-M300 HydrophobicContact CB-CE 3.76Å; H37-M300 HydrophobicContact CB-SD 4.07Å; P39-M300 HydrophobicContact CB-CE 4.48Å; F298-M300 HydrophobicContact CD2-CG 4.27Å; F298-M300 HydrophobicContact CD2-SD 4.31Å; F298-M300 HydrophobicContact CE2-CG 3.8Å; F298-M300 HydrophobicContact CE2-SD 3.84Å; M300-I310 WeakPolarHBondContact O-CA 3.2Å; M300-N311 HydrophobicContact CB-CB 4.38Å; M300-N311 PolarHBondContact N-O 3.33Å; M300-N311 PolarHBondContact O-N 2.85Å; M300-C313 VanDerWaalsContact CG-SG 3.58Å
301L98.7Very high95.5Very high27 Ų2749.5 Ų49.514%0.14129%0.287CS..EExtended strand (participates in β ladder)trans-93.1123.2173.5175.567.1000109.1V2 L257 L259 I303 Y308 S309 I310V2-L301 HydrophobicContact CG2-CB 4.4Å; L257-L301 HydrophobicContact CD2-CD1 3.92Å; L257-L301 HydrophobicContact CD2-CD2 4.37Å; L259-L301 HydrophobicContact CD1-CD2 4.18Å; L301-I303 HydrophobicContact CD1-CB 4.19Å; L301-I303 HydrophobicContact CD1-CD1 4.4Å; L301-I303 HydrophobicContact CD2-CB 4.31Å; L301-I303 HydrophobicContact CD2-CD1 4.15Å; L301-I303 HydrophobicContact CD2-CG2 4.13Å; L301-I303 HydrophobicContact CG-CB 4.05Å; L301-I303 HydrophobicContact CG-CG2 4.15Å; L301-Y308 HydrophobicContact CD1-CD2 4.28Å; L301-Y308 HydrophobicContact CD1-CG 4.5Å; L301-S309 WeakPolarHBondContact CA-O 3.34Å; L301-I310 HydrophobicContact CD1-CD1 4.19Å; L301-I310 HydrophobicContact CD1-CG1 3.62Å
302S98.5Very high95.8Very high80 Ų8047.9 Ų47.956%0.55928%0.282SS*.EExtended strand (participates in β ladder)trans-109.1128.3162-179.10000108.1Y308 S309S302-Y308 CarbonylContact O-C 3.56Å; S302-Y308 VanDerWaalsContact O-CA 3.23Å; S302-Y308 WeakPolarHBondContact O-CA 3.28Å; S302-S309 PolarHBondContact N-O 2.76Å; S302-S309 PolarHBondContact O-N 3.42Å
303I97.9Very high96.1Very high43 Ų4347.3 Ų47.322%0.22128%0.28CS..EExtended strand (participates in β ladder)trans-144.9136.1-167.4-171.9157.5000111.4I124 F126 V202 L301I124-I303 HydrophobicContact CG1-CG2 4.46Å; I124-I303 HydrophobicContact CG2-CD1 4.17Å; I124-I303 HydrophobicContact CG2-CG1 4.27Å; F126-I303 HydrophobicContact CZ-CG2 4.42Å; V202-I303 HydrophobicContact CG2-CD1 3.59Å; L301-I303 HydrophobicContact CD1-CB 4.19Å; L301-I303 HydrophobicContact CD1-CD1 4.4Å; L301-I303 HydrophobicContact CD2-CB 4.31Å; L301-I303 HydrophobicContact CD2-CD1 4.15Å; L301-I303 HydrophobicContact CD2-CG2 4.13Å; L301-I303 HydrophobicContact CG-CB 4.05Å; L301-I303 HydrophobicContact CG-CG2 4.15Å
304S95.5Very high96.3Very high51 Ų5151 Ų5136%0.35729%0.294SS..  trans-118.3-179.3170.374.10000109.6I124 R256 T306 N307I124-S304 WeakPolarHBondContact CD1-O 3.34Å; R256-S304 PolarHBondContact NH1-O 3.01Å; R256-S304 PolarHBondContact NH2-O 3.14Å; S304-T306 PolarHBondContact O-N 3.02Å; S304-T306 PolarHBondContact OG-N 3.3Å; S304-T306 PolarHBondContact OG-OG1 3.01Å; S304-N307 PolarHBondContact N-O 3.02Å; S304-N307 PolarHBondContact OG-N 2.72Å; S304-N307 PolarHBondContact OG-O 3.26Å
305S91.4Very high96.5Very high63 Ų6348.3 Ų48.344%0.44127%0.27SS..SBendtrans-64-25.3176.855.40000113.2I124 R256I124-S305 VanDerWaalsContact CD1-N 3.34Å; R256-S305 PolarHBondContact NH1-O 3.07Å
306T90.8Very high96.5Very high122 Ų12249.6 Ų49.675%0.74828%0.28SS*.SBendtrans-109.6-28.6-173.555.20000114S304S304-T306 PolarHBondContact O-N 3.02Å; S304-T306 PolarHBondContact OG-N 3.3Å; S304-T306 PolarHBondContact OG-OG1 3.01Å
307N96.2Very high96.3Very high109 Ų10951.2 Ų51.258%0.58329%0.291SS*.  trans-141.3166.5-172.6-152.7-9.7000112.1S304S304-N307 PolarHBondContact N-O 3.02Å; S304-N307 PolarHBondContact OG-N 2.72Å; S304-N307 PolarHBondContact OG-O 3.26Å
308Y97.8Very high95.9Very high61 Ų6153.4 Ų53.424%0.23930%0.3CS..EExtended strand (participates in β ladder)trans-149.8156.1172.968.5-93.3000111.5L257 V281 L301 S302 I310L257-Y308 HydrophobicContact CB-CE1 4.21Å; L257-Y308 HydrophobicContact CD1-CE2 3.98Å; L257-Y308 HydrophobicContact CD2-CD2 4.12Å; L257-Y308 HydrophobicContact CD2-CE2 4.28Å; L257-Y308 HydrophobicContact CD2-CG 4.28Å; V281-Y308 WeakPolarHBondContact CB-OH 3.48Å; L301-Y308 HydrophobicContact CD1-CD2 4.28Å; L301-Y308 HydrophobicContact CD1-CG 4.5Å; S302-Y308 CarbonylContact O-C 3.56Å; S302-Y308 VanDerWaalsContact O-CA 3.23Å; S302-Y308 WeakPolarHBondContact O-CA 3.28Å; Y308-I310 HydrophobicContact CD2-CD1 4.09Å; Y308-I310 HydrophobicContact CD2-CG1 4.14Å; Y308-I310 HydrophobicContact CE2-CD1 3.99Å; Y308-I310 HydrophobicContact CE2-CG1 4.45Å
309S98.4Very high95.5Very high58 Ų5858.3 Ų58.341%0.40633%0.326SS..EExtended strand (participates in β ladder)trans-132.8143.2169.167.80000110L301 S302L301-S309 WeakPolarHBondContact CA-O 3.34Å; S302-S309 PolarHBondContact N-O 2.76Å; S302-S309 PolarHBondContact O-N 3.42Å
310I98.3Very high95.1Very high28 Ų2865.3 Ų65.314%0.14435%0.353CS..EExtended strand (participates in β ladder)trans-125.1123.9-179.2-71169.6000108L257 L259 W283 L299 M300 L301 Y308L257-I310 HydrophobicContact CD1-CD1 3.95Å; L257-I310 HydrophobicContact CD2-CD1 4.12Å; L259-I310 HydrophobicContact CD2-CD1 4.24Å; W283-I310 VanDerWaalsContact CD1-CD1 3.48Å; W283-I310 HydrophobicContact CD2-CD1 4.32Å; W283-I310 HydrophobicContact CD2-CG2 4.45Å; W283-I310 HydrophobicContact CG-CD1 3.95Å; W283-I310 HydrophobicContact CZ2-CG2 4.39Å; L299-I310 HydrophobicContact CB-CG2 4.23Å; L299-I310 HydrophobicContact CD1-CG2 3.9Å; L299-I310 HydrophobicContact CD2-CG2 4.04Å; L299-I310 HydrophobicContact CG-CG2 4.29Å; M300-I310 WeakPolarHBondContact O-CA 3.2Å; L301-I310 HydrophobicContact CD1-CD1 4.19Å; L301-I310 HydrophobicContact CD1-CG1 3.62Å; Y308-I310 HydrophobicContact CD2-CD1 4.09Å; Y308-I310 HydrophobicContact CD2-CG1 4.14Å; Y308-I310 HydrophobicContact CE2-CD1 3.99Å; Y308-I310 HydrophobicContact CE2-CG1 4.45Å
311N97.4Very high94.6Very high105 Ų10565.1 Ų65.156%0.56135%0.352SS*.EExtended strand (participates in β ladder)trans-112.7145.6170.4-70.6-57000110L299 M300L299-N311 CarbonylContact C-O 3.53Å; L299-N311 WeakPolarHBondContact CA-O 2.93Å; M300-N311 HydrophobicContact CB-CB 4.38Å; M300-N311 PolarHBondContact N-O 3.33Å; M300-N311 PolarHBondContact O-N 2.85Å
312K96.2Very high94.2Very high44 Ų4468 Ų6819%0.19137%0.367CS..EExtended strand (participates in β ladder)trans-95.4133.2173.6-70-170.5169.8-153.10110.3P221 D223 S266 L299 Y314P221-K312 HydrophobicContact CB-CD 4.28Å; D223-K312 IonicContact OD1-NZ 3.93Å; D223-K312 PolarHBondContact OD1-NZ 3.03Å; D223-K312 IonicContact OD2-NZ 2.72Å; D223-K312 PolarHBondContact OD2-NZ 2.92Å; S266-K312 VanDerWaalsContact OG-CE 3.3Å; S266-K312 WeakPolarHBondContact OG-CE 3.42Å; S266-K312 PolarHBondContact OG-NZ 3.11Å; L299-K312 HydrophobicContact CD2-CG 3.68Å; K312-Y314 HydrophobicContact CB-CE2 4.39Å; K312-Y314 HydrophobicContact CD-CE1 4.44Å; K312-Y314 WeakPolarHBondContact CD-OH 3.37Å
313C97.2Very high94Very high23 Ų2367.9 Ų67.916%0.15536%0.358CS..EExtended strand (participates in β ladder)trans-116116.2173.9-64.40000108G297 F298 M300G297-C313 CarbonylContact C-O 3.59Å; G297-C313 WeakPolarHBondContact CA-O 3.21Å; F298-C313 HydrophobicContact CD1-CB 3.97Å; F298-C313 HydrophobicContact CD2-CB 3.84Å; F298-C313 HydrophobicContact CE1-CB 3.54Å; F298-C313 HydrophobicContact CE2-CB 3.41Å; F298-C313 VanDerWaalsContact CE2-CB 3.41Å; F298-C313 HydrophobicContact CG-CB 4.14Å; F298-C313 HydrophobicContact CZ-CB 3.25Å; F298-C313 PolarHBondContact N-O 2.67Å; F298-C313 PolarHBondContact O-N 3.42Å; M300-C313 VanDerWaalsContact CG-SG 3.58Å
314Y96.3Very high93.8Very high94 Ų9471 Ų7137%0.36937%0.374SS..EExtended strand (participates in β ladder)trans-91.7140.3177.5-57.5-71.6000109.9I222 D223 K312I222-Y314 HydrophobicContact CD1-CD1 3.78Å; I222-Y314 HydrophobicContact CD1-CD2 4.08Å; I222-Y314 HydrophobicContact CD1-CE1 3.98Å; I222-Y314 HydrophobicContact CD1-CE2 4.26Å; I222-Y314 HydrophobicContact CD1-CG 3.83Å; I222-Y314 HydrophobicContact CG1-CD1 3.69Å; I222-Y314 HydrophobicContact CG1-CD2 4.39Å; I222-Y314 HydrophobicContact CG1-CE1 3.37Å; I222-Y314 HydrophobicContact CG1-CE2 4.13Å; I222-Y314 HydrophobicContact CG1-CG 4.19Å; D223-Y314 HydrophobicContact CB-CD1 4.48Å; D223-Y314 HydrophobicContact CB-CE1 3.92Å; K312-Y314 HydrophobicContact CB-CE2 4.39Å; K312-Y314 HydrophobicContact CD-CE1 4.44Å; K312-Y314 WeakPolarHBondContact CD-OH 3.37Å
315L95.5Very high93.7Very high14 Ų1474.6 Ų74.67%0.07338%0.381CS..PPolyproline II helixtrans-83.3154.9170.9-54.3-177000109.5Q25 A29 F288 P296 F298 T317Q25-L315 VanDerWaalsContact NE2-CD1 3.27Å; A29-L315 HydrophobicContact CB-CD1 3.64Å; A29-L315 HydrophobicContact CB-CD2 3.73Å; A29-L315 HydrophobicContact CB-CG 4.26Å; F288-L315 HydrophobicContact CD1-CD1 4.5Å; F288-L315 HydrophobicContact CD2-CD1 3.94Å; F288-L315 HydrophobicContact CE1-CD1 4.32Å; F288-L315 HydrophobicContact CE2-CD1 3.75Å; F288-L315 HydrophobicContact CE2-CD2 4.14Å; F288-L315 HydrophobicContact CE2-CG 4.37Å; F288-L315 HydrophobicContact CG-CD1 4.32Å; F288-L315 HydrophobicContact CZ-CD1 3.95Å; F288-L315 HydrophobicContact CZ-CD2 4.48Å; P296-L315 HydrophobicContact CB-CD1 4.2Å; P296-L315 HydrophobicContact CG-CB 4.12Å; P296-L315 HydrophobicContact CG-CD1 4.1Å; P296-L315 WeakPolarHBondContact O-CB 3.08Å; P296-L315 PolarHBondContact O-N 3.09Å; F298-L315 HydrophobicContact CD1-CD2 4.05Å; F298-L315 HydrophobicContact CE1-CD2 3.81Å; L315-T317 PolarHBondContact O-N 3.32Å
316P92Very high94Very high70 Ų7076.4 Ų76.446%0.45538%0.384SS..PPolyproline II helixtrans-53.3140.4170.1-25.435.1000110.9W290 L321W290-P316 VanDerWaalsContact CZ2-O 3.28Å; W290-P316 WeakPolarHBondContact CZ2-O 3.24Å; W290-P316 PolarHBondContact NE1-O 3.03Å; P316-L321 HydrophobicContact CB-CD1 4Å; P316-L321 HydrophobicContact CB-CD2 4.46Å; P316-L321 HydrophobicContact CB-CG 3.85Å
317T92.2Very high94.3Very high35 Ų3574.2 Ų74.222%0.21537%0.374CS..PPolyproline II helixtrans-71.5154.9171.672.80000109.9A294 N295 L315 L319 R320 L321A294-T317 WeakPolarHBondContact O-CG2 3.28Å; N295-T317 WeakPolarHBondContact OD1-CG2 3.47Å; L315-T317 PolarHBondContact O-N 3.32Å; T317-L319 VanDerWaalsContact C-N 3.27Å; T317-L319 PolarHBondContact O-N 3.35Å; T317-R320 PolarHBondContact O-N 3.23Å; T317-R320 VanDerWaalsContact O-N 3.09Å; T317-R320 VanDerWaalsContact OG1-CG 3.23Å; T317-R320 WeakPolarHBondContact OG1-CG 3.33Å; T317-R320 PolarHBondContact OG1-N 2.89Å; T317-L321 PolarHBondContact O-N 3.46Å
318E89.2Confident94.3Very high46 Ų4670.6 Ų70.622%0.21536%0.362CS..Hα-helixtrans-56.7-44.2178.8-175.5174.5175.400111.8R21 R22 W290 R320 L321 L322R21-E318 WeakPolarHBondContact CD-OE1 3.13Å; R21-E318 IonicContact CZ-OE1 3.88Å; R21-E318 VanDerWaalsContact CZ-OE1 3.31Å; R21-E318 IonicContact NE-OE1 3.37Å; R21-E318 IonicContact NH1-OE1 3.59Å; R21-E318 PolarHBondContact NH1-OE1 2.62Å; R21-E318 IonicContact NH1-OE2 3.07Å; R22-E318 IonicContact CZ-OE2 2.73Å; R22-E318 IonicContact NH1-OE1 3.01Å; R22-E318 IonicContact NH1-OE2 3.53Å; R22-E318 PolarHBondContact NH1-OE2 3.01Å; R22-E318 IonicContact NH2-OE2 3.57Å; R22-E318 PolarHBondContact NH2-OE2 2.73Å; W290-E318 HydrophobicContact CD2-CB 3.99Å; W290-E318 HydrophobicContact CE3-CB 4.23Å; W290-E318 HydrophobicContact CE3-CG 4.34Å; W290-E318 HydrophobicContact CG-CB 4.5Å; W290-E318 HydrophobicContact CH2-CB 4.16Å; W290-E318 HydrophobicContact CH2-CG 4.33Å; W290-E318 VanDerWaalsContact CZ2-CA 3.42Å; W290-E318 HydrophobicContact CZ2-CB 3.99Å; W290-E318 HydrophobicContact CZ3-CB 4.27Å; W290-E318 HydrophobicContact CZ3-CG 4.17Å; E318-R320 VanDerWaalsContact C-N 3.31Å; E318-R320 PolarHBondContact O-N 2.97Å; E318-L321 PolarHBondContact O-N 3.33Å; E318-L322 HydrophobicContact CG-CD1 4.36Å; E318-L322 WeakPolarHBondContact O-CG 3.45Å; E318-L322 PolarHBondContact O-N 3.2Å
319L89Confident94.3Very high110 Ų11071.9 Ų71.958%0.57638%0.376SS*.Hα-helixtrans-60.4-40.9177.5-178.761.8000112T317 L321 L322 Q323T317-L319 VanDerWaalsContact C-N 3.27Å; T317-L319 PolarHBondContact O-N 3.35Å; L319-L321 VanDerWaalsContact C-N 3.34Å; L319-L322 PolarHBondContact O-N 3.47Å; L319-Q323 VanDerWaalsContact O-CG 3.27Å; L319-Q323 WeakPolarHBondContact O-CG 3.25Å; L319-Q323 PolarHBondContact O-N 3.02Å
320R90.1Very high94.2Very high151 Ų15174.1 Ų74.157%0.5738%0.383SS*.Hα-helixtrans-65.6-38.9177.7-71.8-64.5-175.3-166.36.7111.5T317 E318 Q323 I324T317-R320 PolarHBondContact O-N 3.23Å; T317-R320 VanDerWaalsContact O-N 3.09Å; T317-R320 VanDerWaalsContact OG1-CG 3.23Å; T317-R320 WeakPolarHBondContact OG1-CG 3.33Å; T317-R320 PolarHBondContact OG1-N 2.89Å; E318-R320 VanDerWaalsContact C-N 3.31Å; E318-R320 PolarHBondContact O-N 2.97Å; R320-Q323 PolarHBondContact O-N 3.41Å; R320-I324 WeakPolarHBondContact O-CD1 3.23Å; R320-I324 VanDerWaalsContact O-CG1 3.25Å; R320-I324 WeakPolarHBondContact O-CG1 3.13Å; R320-I324 PolarHBondContact O-N 3.42Å
321L89Confident94.2Very high33 Ų3378 Ų7817%0.17340%0.403CS..Hα-helixtrans-67.4-42.7176-85174.4000112.4W24 W290 P316 T317 E318 L319 Q323 I324 Y325W24-L321 HydrophobicContact CH2-CD1 4.33Å; W24-L321 HydrophobicContact CZ3-CD1 4.11Å; W290-L321 HydrophobicContact CH2-CB 4.31Å; W290-L321 HydrophobicContact CH2-CD1 3.4Å; W290-L321 HydrophobicContact CH2-CG 4.4Å; W290-L321 HydrophobicContact CZ2-CD1 3.62Å; P316-L321 HydrophobicContact CB-CD1 4Å; P316-L321 HydrophobicContact CB-CD2 4.46Å; P316-L321 HydrophobicContact CB-CG 3.85Å; T317-L321 PolarHBondContact O-N 3.46Å; E318-L321 PolarHBondContact O-N 3.33Å; L319-L321 VanDerWaalsContact C-N 3.34Å; L321-Q323 VanDerWaalsContact C-N 3.32Å; L321-Q323 PolarHBondContact O-N 2.98Å; L321-I324 HydrophobicContact CD2-CD1 4.44Å; L321-I324 PolarHBondContact O-N 3.18Å; L321-Y325 HydrophobicContact CD2-CE2 4.3Å; L321-Y325 WeakPolarHBondContact O-CD2 3.45Å; L321-Y325 PolarHBondContact O-N 2.95Å
322L90.5Very high94.2Very high89 Ų8977.4 Ų77.447%0.46640%0.403SS..Hα-helixtrans-59-43.4174.1-69.4173.7000111.9E318 L319 I324 Y325 I326E318-L322 HydrophobicContact CG-CD1 4.36Å; E318-L322 WeakPolarHBondContact O-CG 3.45Å; E318-L322 PolarHBondContact O-N 3.2Å; L319-L322 PolarHBondContact O-N 3.47Å; L322-I324 PolarHBondContact O-N 3.04Å; L322-Y325 PolarHBondContact O-N 3.37Å; L322-I326 WeakPolarHBondContact O-CB 3.34Å; L322-I326 VanDerWaalsContact O-CG1 3.28Å; L322-I326 WeakPolarHBondContact O-CG1 3.33Å; L322-I326 PolarHBondContact O-N 2.91Å
323Q94.1Very high94.2Very high77 Ų7780 Ų8036%0.3642%0.419SS..Hα-helixtrans-58.4-46.9174.9-74.9173.2-11.100111.7L319 R320 L321 Y325 I326 S327L319-Q323 VanDerWaalsContact O-CG 3.27Å; L319-Q323 WeakPolarHBondContact O-CG 3.25Å; L319-Q323 PolarHBondContact O-N 3.02Å; R320-Q323 PolarHBondContact O-N 3.41Å; L321-Q323 VanDerWaalsContact C-N 3.32Å; L321-Q323 PolarHBondContact O-N 2.98Å; Q323-Y325 PolarHBondContact O-N 3.27Å; Q323-I326 PolarHBondContact O-N 3.41Å; Q323-S327 WeakPolarHBondContact O-CB 3.36Å; Q323-S327 PolarHBondContact O-N 3.26Å; Q323-S327 PolarHBondContact O-OG 3.47Å; Q323-S327 VanDerWaalsContact O-OG 3.09Å
324I93.6Very high94.2Very high108 Ų10885.1 Ų85.155%0.55444%0.439SS*.Hα-helixtrans-60.5-45.5178.8-69.4163000111R320 L321 L322 G328R320-I324 WeakPolarHBondContact O-CD1 3.23Å; R320-I324 VanDerWaalsContact O-CG1 3.25Å; R320-I324 WeakPolarHBondContact O-CG1 3.13Å; R320-I324 PolarHBondContact O-N 3.42Å; L321-I324 HydrophobicContact CD2-CD1 4.44Å; L321-I324 PolarHBondContact O-N 3.18Å; L322-I324 PolarHBondContact O-N 3.04Å; I324-G328 PolarHBondContact O-N 3.43Å
325Y92.8Very high94.2Very high127 Ų12783.6 Ų83.650%0.49844%0.439SS..Hα-helixtrans-64.4-45.3178.6-77.8-61.9000112.5W24 L321 L322 Q323 G328 V329W24-Y325 AromaticContact CH2-CE2 3.79Å; W24-Y325 HydrophobicContact CH2-CE2 3.79Å; W24-Y325 AromaticContact CH2-CZ 3.94Å; W24-Y325 VanDerWaalsContact CH2-OH 3.24Å; W24-Y325 WeakPolarHBondContact CH2-OH 3.34Å; W24-Y325 HydrophobicContact CZ2-CE2 4.27Å; W24-Y325 WeakPolarHBondContact CZ2-OH 3.36Å; L321-Y325 HydrophobicContact CD2-CE2 4.3Å; L321-Y325 WeakPolarHBondContact O-CD2 3.45Å; L321-Y325 PolarHBondContact O-N 2.95Å; L322-Y325 PolarHBondContact O-N 3.37Å; Q323-Y325 PolarHBondContact O-N 3.27Å; Y325-G328 PolarHBondContact O-N 2.92Å; Y325-V329 WeakPolarHBondContact O-CG2 3.48Å; Y325-V329 PolarHBondContact O-N 3.35Å
326I96.7Very high94.2Very high101 Ų10186 Ų8652%0.51845%0.454SS..Hα-helixtrans-62.4-47.7178.3-68.6167.5000110.4L322 Q323 G328 V329 L330L322-I326 WeakPolarHBondContact O-CB 3.34Å; L322-I326 VanDerWaalsContact O-CG1 3.28Å; L322-I326 WeakPolarHBondContact O-CG1 3.33Å; L322-I326 PolarHBondContact O-N 2.91Å; Q323-I326 PolarHBondContact O-N 3.41Å; I326-G328 VanDerWaalsContact C-N 3.3Å; I326-G328 PolarHBondContact O-N 3.28Å; I326-V329 PolarHBondContact O-N 3.4Å; I326-L330 HydrophobicContact CG2-CD1 3.95Å; I326-L330 HydrophobicContact CG2-CG 4.38Å; I326-L330 WeakPolarHBondContact O-CB 3.28Å; I326-L330 VanDerWaalsContact O-CG 3.32Å; I326-L330 WeakPolarHBondContact O-CG 3.35Å; I326-L330 PolarHBondContact O-N 2.89Å
327S96.9Very high94.3Very high75 Ų7586.1 Ų86.152%0.52445%0.454SS..Hα-helixtrans-61.2-39.5176.9-65.40000112.1Q323 L330 L331Q323-S327 WeakPolarHBondContact O-CB 3.36Å; Q323-S327 PolarHBondContact O-N 3.26Å; Q323-S327 PolarHBondContact O-OG 3.47Å; Q323-S327 VanDerWaalsContact O-OG 3.09Å; S327-L330 PolarHBondContact O-N 3.38Å; S327-L331 WeakPolarHBondContact O-CB 3.27Å; S327-L331 PolarHBondContact O-N 2.99Å
328G96.9Very high94.4Very high33 Ų3390.7 Ų90.734%0.3447%0.468SS..Hα-helixtrans-62.6-45.5175.300000112.6I324 Y325 I326 L331 V332I324-G328 PolarHBondContact O-N 3.43Å; Y325-G328 PolarHBondContact O-N 2.92Å; I326-G328 VanDerWaalsContact C-N 3.3Å; I326-G328 PolarHBondContact O-N 3.28Å; G328-L331 PolarHBondContact O-N 2.92Å; G328-V332 WeakPolarHBondContact O-CG2 3.35Å; G328-V332 PolarHBondContact O-N 2.94Å
329V97.6Very high94.5Very high88 Ų8894 Ų9453%0.53348%0.483SS..Hα-helixtrans-63.2-45.7176.5170.90000111.1Y325 I326 L331 V332 L333Y325-V329 WeakPolarHBondContact O-CG2 3.48Å; Y325-V329 PolarHBondContact O-N 3.35Å; I326-V329 PolarHBondContact O-N 3.4Å; V329-L331 VanDerWaalsContact C-N 3.3Å; V329-L331 PolarHBondContact O-N 3.29Å; V329-V332 PolarHBondContact O-N 2.93Å; V329-L333 HydrophobicContact CG1-CD1 4.01Å; V329-L333 HydrophobicContact CG1-CG 4.4Å; V329-L333 WeakPolarHBondContact O-CG 3.32Å; V329-L333 PolarHBondContact O-N 3.09Å
330L97.7Very high94.5Very high106 Ų10696 Ų9656%0.55549%0.487SS*.Hα-helixtrans-61.7-39.1177.7-70.5175.1000112I326 S327 L333 F334I326-L330 HydrophobicContact CG2-CD1 3.95Å; I326-L330 HydrophobicContact CG2-CG 4.38Å; I326-L330 WeakPolarHBondContact O-CB 3.28Å; I326-L330 VanDerWaalsContact O-CG 3.32Å; I326-L330 WeakPolarHBondContact O-CG 3.35Å; I326-L330 PolarHBondContact O-N 2.89Å; S327-L330 PolarHBondContact O-N 3.38Å; L330-L333 PolarHBondContact O-N 2.97Å; L330-F334 WeakPolarHBondContact O-CB 3.39Å; L330-F334 PolarHBondContact O-N 3.39Å
331L97.5Very high94.5Very high109 Ų10993.5 Ų93.557%0.57149%0.485SS*.Hα-helixtrans-64.6-45.1175.6-178.964.1000111.6S327 G328 V329 L333 F334 V335S327-L331 WeakPolarHBondContact O-CB 3.27Å; S327-L331 PolarHBondContact O-N 2.99Å; G328-L331 PolarHBondContact O-N 2.92Å; V329-L331 VanDerWaalsContact C-N 3.3Å; V329-L331 PolarHBondContact O-N 3.29Å; L331-L333 VanDerWaalsContact C-N 3.35Å; L331-L333 PolarHBondContact O-N 2.94Å; L331-F334 PolarHBondContact O-N 3.47Å; L331-V335 HydrophobicContact CD1-CG2 4.45Å; L331-V335 WeakPolarHBondContact O-CG2 3.33Å; L331-V335 PolarHBondContact O-N 3.43Å
332V97.3Very high94.4Very high92 Ų9295.4 Ų95.456%0.55849%0.494SS*.Hα-helixtrans-60.9-45.6176.3170.90000110.7G328 V329 F334 V335 V336G328-V332 WeakPolarHBondContact O-CG2 3.35Å; G328-V332 PolarHBondContact O-N 2.94Å; V329-V332 PolarHBondContact O-N 2.93Å; V332-F334 VanDerWaalsContact C-N 3.33Å; V332-F334 PolarHBondContact O-N 3.13Å; V332-V335 PolarHBondContact O-N 3.29Å; V332-V336 HydrophobicContact CG1-CG2 4.42Å; V332-V336 VanDerWaalsContact O-CG2 3.31Å; V332-V336 WeakPolarHBondContact O-CG2 3.33Å; V332-V336 PolarHBondContact O-N 3.45Å
333L96.9Very high94Very high99 Ų9995.5 Ų95.552%0.51850%0.503SS..Hα-helixtrans-60.4-43.7176.7-71.7173.7000111.6V329 L330 L331 V336 T337V329-L333 HydrophobicContact CG1-CD1 4.01Å; V329-L333 HydrophobicContact CG1-CG 4.4Å; V329-L333 WeakPolarHBondContact O-CG 3.32Å; V329-L333 PolarHBondContact O-N 3.09Å; L330-L333 PolarHBondContact O-N 2.97Å; L331-L333 VanDerWaalsContact C-N 3.35Å; L331-L333 PolarHBondContact O-N 2.94Å; L333-V336 PolarHBondContact O-N 3.28Å; L333-T337 WeakPolarHBondContact O-CG2 3.46Å; L333-T337 PolarHBondContact O-N 2.89Å; L333-T337 PolarHBondContact O-OG1 2.76Å
334F96.2Very high93.3Very high130 Ų130101.3 Ų101.357%0.5752%0.523SS*.Hα-helixtrans-61.4-44176.4176.6-97.4000112.4L330 L331 V332 T337 Y338L330-F334 WeakPolarHBondContact O-CB 3.39Å; L330-F334 PolarHBondContact O-N 3.39Å; L331-F334 PolarHBondContact O-N 3.47Å; V332-F334 VanDerWaalsContact C-N 3.33Å; V332-F334 PolarHBondContact O-N 3.13Å; F334-T337 WeakPolarHBondContact CA-OG1 3.31Å; F334-T337 PolarHBondContact O-N 3.45Å; F334-T337 PolarHBondContact O-OG1 3Å; F334-Y338 WeakPolarHBondContact O-CB 3.49Å; F334-Y338 PolarHBondContact O-N 3.38Å
335V96.3Very high92.5Very high62 Ų62104.3 Ų104.338%0.37653%0.532SS..Hα-helixtrans-64.4-43.6178171.30000111L331 V332 Y338 Q339L331-V335 HydrophobicContact CD1-CG2 4.45Å; L331-V335 WeakPolarHBondContact O-CG2 3.33Å; L331-V335 PolarHBondContact O-N 3.43Å; V332-V335 PolarHBondContact O-N 3.29Å; V335-Y338 PolarHBondContact O-N 2.91Å; V335-Q339 WeakPolarHBondContact O-CB 3.43Å; V335-Q339 WeakPolarHBondContact O-CG 3.35Å; V335-Q339 PolarHBondContact O-N 3.31Å
336V95.7Very high91.1Very high64 Ų64106.3 Ų106.339%0.38856%0.557SS.*Hα-helixtrans-65.4-41.9179.2171.40000111.5V332 L333 K340V332-V336 HydrophobicContact CG1-CG2 4.42Å; V332-V336 VanDerWaalsContact O-CG2 3.31Å; V332-V336 WeakPolarHBondContact O-CG2 3.33Å; V332-V336 PolarHBondContact O-N 3.45Å; L333-V336 PolarHBondContact O-N 3.28Å; V336-K340 WeakPolarHBondContact O-CG 3.48Å; V336-K340 PolarHBondContact O-N 3.49Å; V336-K340 VanDerWaalsContact O-N 3.13Å
337T93.9Very high90.8Very high74 Ų74106.6 Ų106.645%0.45456%0.559SS.*Hα-helixtrans-68.4-41.1177.353.30000111.6L333 F334 K340 L341L333-T337 WeakPolarHBondContact O-CG2 3.46Å; L333-T337 PolarHBondContact O-N 2.89Å; L333-T337 PolarHBondContact O-OG1 2.76Å; F334-T337 WeakPolarHBondContact CA-OG1 3.31Å; F334-T337 PolarHBondContact O-N 3.45Å; F334-T337 PolarHBondContact O-OG1 3Å; T337-K340 PolarHBondContact O-N 2.94Å; T337-L341 WeakPolarHBondContact O-CG 3.35Å; T337-L341 PolarHBondContact O-N 3.46Å
338Y93.4Very high90.5Very high131 Ų131108.2 Ų108.251%0.51456%0.561SS.*Hα-helixtrans-62.2-43.8176.3-178.1-109.7000112.5F334 V335 K340 L341 I342F334-Y338 WeakPolarHBondContact O-CB 3.49Å; F334-Y338 PolarHBondContact O-N 3.38Å; V335-Y338 PolarHBondContact O-N 2.91Å; Y338-K340 VanDerWaalsContact C-N 3.35Å; Y338-K340 PolarHBondContact O-N 3.46Å; Y338-L341 PolarHBondContact O-N 2.94Å; Y338-I342 HydrophobicContact CD1-CD1 3.69Å; Y338-I342 HydrophobicContact CE1-CD1 3.15Å; Y338-I342 HydrophobicContact CE1-CG1 4.19Å; Y338-I342 HydrophobicContact CE2-CD1 4.11Å; Y338-I342 HydrophobicContact CE2-CG1 4.34Å; Y338-I342 HydrophobicContact CG-CD1 4.37Å; Y338-I342 PolarHBondContact O-N 2.95Å
339Q91.4Very high90.2Very high114 Ų114112.4 Ų112.453%0.53357%0.573SS.*Hα-helixtrans-62.3-40.5175.4-77.3-179.2-18.100112.5V335 L341 I342 S343V335-Q339 WeakPolarHBondContact O-CB 3.43Å; V335-Q339 WeakPolarHBondContact O-CG 3.35Å; V335-Q339 PolarHBondContact O-N 3.31Å; Q339-L341 VanDerWaalsContact C-N 3.33Å; Q339-I342 PolarHBondContact O-N 3.31Å; Q339-S343 WeakPolarHBondContact O-CB 3.2Å; Q339-S343 PolarHBondContact O-N 3.04Å; Q339-S343 PolarHBondContact O-OG 2.94Å
340K90.2Very high89.7Confident152 Ų152113.8 Ų113.866%0.66158%0.575SS**Hα-helixtrans-64.6-37.6174.8-75.8-175.8177.1-172.10112.2V336 T337 Y338 Y344V336-K340 WeakPolarHBondContact O-CG 3.48Å; V336-K340 PolarHBondContact O-N 3.49Å; V336-K340 VanDerWaalsContact O-N 3.13Å; T337-K340 PolarHBondContact O-N 2.94Å; Y338-K340 VanDerWaalsContact C-N 3.35Å; Y338-K340 PolarHBondContact O-N 3.46Å; K340-Y344 PolarHBondContact O-N 3.2Å
341L89.6Confident89.2Confident100 Ų100114.3 Ų114.352%0.52458%0.576SS.*Hα-helixtrans-66.1-48.2175.6-73.7166.8000111.2T337 Y338 Q339 S343 Y344 F345T337-L341 WeakPolarHBondContact O-CG 3.35Å; T337-L341 PolarHBondContact O-N 3.46Å; Y338-L341 PolarHBondContact O-N 2.94Å; Q339-L341 VanDerWaalsContact C-N 3.33Å; L341-S343 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 3Å; L341-Y344 WeakPolarHBondContact O-CB 3.34Å; L341-Y344 PolarHBondContact O-N 3.08Å; L341-F345 WeakPolarHBondContact O-CD2 3.08Å; L341-F345 PolarHBondContact O-N 3.38Å
342I87.3Confident88.7Confident72 Ų72114.7 Ų114.737%0.36958%0.577SS.*Hα-helixtrans-58.6-44.7177-68.8166.7000111.2Y338 Q339 Y344 F345 V346Y338-I342 HydrophobicContact CD1-CD1 3.69Å; Y338-I342 HydrophobicContact CE1-CD1 3.15Å; Y338-I342 HydrophobicContact CE1-CG1 4.19Å; Y338-I342 HydrophobicContact CE2-CD1 4.11Å; Y338-I342 HydrophobicContact CE2-CG1 4.34Å; Y338-I342 HydrophobicContact CG-CD1 4.37Å; Y338-I342 PolarHBondContact O-N 2.95Å; Q339-I342 PolarHBondContact O-N 3.31Å; I342-Y344 PolarHBondContact O-N 2.91Å; I342-Y344 VanDerWaalsContact O-N 3.08Å; I342-F345 PolarHBondContact O-N 2.98Å; I342-V346 HydrophobicContact CG2-CG2 3.91Å; I342-V346 PolarHBondContact O-N 3.04Å
343S82.6Confident88Confident91 Ų91116.3 Ų116.364%0.63658%0.578SS**Hα-helixtrans-65.5-11.7179.8-51.60000113.4Q339 L341Q339-S343 WeakPolarHBondContact O-CB 3.2Å; Q339-S343 PolarHBondContact O-N 3.04Å; Q339-S343 PolarHBondContact O-OG 2.94Å; L341-S343 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 3Å
344Y79.1Confident87.4Confident200 Ų200117.6 Ų117.678%0.78458%0.583SS**Hα-helixtrans-91.7-18.5174.1-153.6-89000112.3K340 L341 I342K340-Y344 PolarHBondContact O-N 3.2Å; L341-Y344 WeakPolarHBondContact O-CB 3.34Å; L341-Y344 PolarHBondContact O-N 3.08Å; I342-Y344 PolarHBondContact O-N 2.91Å; I342-Y344 VanDerWaalsContact O-N 3.08Å
345F76.1Confident86.6Confident171 Ų171116.6 Ų116.675%0.7558%0.584SS**Hα-helixtrans-108.8-10.3-177.5-69.9-67.2000114.1L341 I342L341-F345 WeakPolarHBondContact O-CD2 3.08Å; L341-F345 PolarHBondContact O-N 3.38Å; I342-F345 PolarHBondContact O-N 2.98Å
346V64.1Low85.8Confident168 Ų168121.5 Ų121.5100%1.01860%0.603SS**  trans-104.50168.5-1790000107.9I342I342-V346 HydrophobicContact CG2-CG2 3.91Å; I342-V346 PolarHBondContact O-N 3.04Å

Retrieved 346 of 346 residues in 547.2 ms (Link to these results)

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