A0A096NFF1_PAPAN Loading...

Phosphoglycerate mutase

Plays a major role in regulating hemoglobin oxygen affinity by controlling the levels of its allosteric effector 2,3-bisphosphoglycerate (2,3-BPG). Also exhibits mutase (EC 5.4.2.11) activity.

AlphaFold DB , UniProt , Accession A0A096NFF1, Species PAPAN (Papio anubis, Olive baboon), Gene BPGM, Length 259 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
1M60.6Low91.2Very high219 Ų21951.1 Ų51.1100%1.07924%0.244SC*.  0134.60-73.7-175.2-84.200107.1
2S76.2Confident91.3Very high50 Ų5046.8 Ų46.835%0.3522%0.223SC..  trans-64.5136.7174.343.90000110.3E221S2-E221 WeakPolarHBondContact CB-OE2 3.46Å; S2-E221 PolarHBondContact OG-OE2 2.84Å
3K87.8Confident91.1Very high120 Ų12044.5 Ų44.552%0.52221%0.212SC..  trans-113-31.9-175.4-167.9174.2-179.6-175.90111.4L222 E224K3-L222 PolarHBondContact N-O 2.77Å; K3-E224 HydrophobicContact CD-CB 3.97Å
4Y96.6Very high91.1Very high29 Ų2941.4 Ų41.411%0.11420%0.197CC..EExtended strand (participates in β ladder)trans-130.4148.8-177.9-46.4-73.3000110.8V177 L178 E221 L222 D223 L226Y4-V177 HydrophobicContact CD1-CG1 4.42Å; Y4-V177 WeakPolarHBondContact CD1-O 3.49Å; Y4-V177 HydrophobicContact CD2-CG1 4.33Å; Y4-V177 VanDerWaalsContact CE1-O 3.29Å; Y4-V177 WeakPolarHBondContact CE1-O 3.47Å; Y4-V177 HydrophobicContact CG-CG1 3.89Å; Y4-L178 HydrophobicContact CE2-CD2 3.92Å; Y4-L178 PolarHBondContact OH-O 3.38Å; Y4-E221 WeakPolarHBondContact O-CA 3.09Å; Y4-L222 PolarHBondContact N-O 3.26Å; Y4-L222 VanDerWaalsContact N-O 3.09Å; Y4-L222 PolarHBondContact O-N 3.26Å; Y4-D223 WeakPolarHBondContact CD2-O 3.47Å; Y4-D223 WeakPolarHBondContact CE2-O 3.49Å; Y4-L226 HydrophobicContact CD2-CD2 3.99Å; Y4-L226 HydrophobicContact CE2-CD2 4.25Å
5K94.4Very high91.1Very high115 Ų11541 Ų4150%0.520%0.204SC..EExtended strand (participates in β ladder)trans-120.7136.8173.1-63-170.7179.8-162.10109.3L219 E221K5-L219 HydrophobicContact CB-CD1 4.24Å; K5-L219 HydrophobicContact CD-CD1 4.41Å; K5-E221 WeakPolarHBondContact CE-OE1 3.44Å; K5-E221 HydrophobicContact CG-CG 4.38Å; K5-E221 IonicContact NZ-OE1 3.94Å; K5-E221 PolarHBondContact NZ-OE1 3Å
6L95.7Very high91.2Very high1 Ų139.9 Ų39.91%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-131.7140177.2179.4142.4000109.1M8 W169 V177 V183 I185 L220L6-M8 HydrophobicContact CD2-CB 4Å; L6-M8 HydrophobicContact CD2-CE 3.65Å; L6-M8 HydrophobicContact CD2-CG 4.41Å; L6-W169 HydrophobicContact CD1-CH2 3.89Å; L6-W169 HydrophobicContact CD1-CZ3 3.71Å; L6-V177 HydrophobicContact CD1-CG2 3.93Å; L6-V183 HydrophobicContact CD1-CB 4.19Å; L6-V183 HydrophobicContact CD1-CG1 4.16Å; L6-I185 HydrophobicContact CD1-CD1 3.93Å; L6-I185 HydrophobicContact CD1-CG1 4.37Å; L6-I185 HydrophobicContact CD2-CD1 4.08Å; L6-I185 HydrophobicContact CD2-CG1 4.4Å; L6-I185 HydrophobicContact CG-CD1 4.5Å; L6-L220 PolarHBondContact N-O 3.48Å; L6-L220 PolarHBondContact O-N 2.88Å
7I98.7Very high90.9Very high1 Ų138.1 Ų38.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-104.2129.4169.2-61.8-61000108.4L45 F50 F52 V183 L184 I185 P217 I218 L219 L235I7-L45 HydrophobicContact CD1-CD2 4.1Å; I7-L45 HydrophobicContact CG1-CD2 3.98Å; I7-L45 HydrophobicContact CG2-CD1 4.36Å; I7-L45 HydrophobicContact CG2-CD2 4.16Å; I7-F50 HydrophobicContact CD1-CE1 3.89Å; I7-F50 HydrophobicContact CD1-CE2 4.13Å; I7-F50 HydrophobicContact CD1-CZ 3.57Å; I7-F50 HydrophobicContact CG1-CD1 4.04Å; I7-F50 HydrophobicContact CG1-CE1 3.58Å; I7-F50 HydrophobicContact CG1-CE2 4.4Å; I7-F50 HydrophobicContact CG1-CZ 3.8Å; I7-F52 HydrophobicContact CB-CE1 4.04Å; I7-F52 HydrophobicContact CB-CZ 4.13Å; I7-F52 HydrophobicContact CG1-CE1 4.05Å; I7-F52 HydrophobicContact CG1-CZ 4.05Å; I7-V183 PolarHBondContact N-O 3Å; I7-V183 VanDerWaalsContact N-O 3.08Å; I7-L184 HydrophobicContact CB-CD1 4.12Å; I7-L184 HydrophobicContact CG2-CD1 3.62Å; I7-L184 CarbonylContact O-C 3.55Å; I7-L184 WeakPolarHBondContact O-CA 3.44Å; I7-I185 PolarHBondContact O-N 3.01Å; I7-P217 HydrophobicContact CG2-CB 4.22Å; I7-I218 WeakPolarHBondContact CA-O 3.47Å; I7-L219 HydrophobicContact CD1-CB 4.17Å; I7-L219 HydrophobicContact CD1-CD1 3.96Å; I7-L235 HydrophobicContact CD1-CD1 3.99Å
8M98.8Very high90.6Very high0 Ų043.2 Ų43.20%021%0.209CC..EExtended strand (participates in β ladder)trans-128.2157.716568.11746800110.4L6 I185 L195 L196 L199 I218 L220L6-M8 HydrophobicContact CD2-CB 4Å; L6-M8 HydrophobicContact CD2-CE 3.65Å; L6-M8 HydrophobicContact CD2-CG 4.41Å; M8-I185 CarbonylContact C-O 3.56Å; M8-I185 VanDerWaalsContact CA-O 3.25Å; M8-I185 WeakPolarHBondContact CA-O 3.45Å; M8-I185 HydrophobicContact CB-CB 3.88Å; M8-L195 HydrophobicContact CE-CD2 3.64Å; M8-L195 HydrophobicContact CE-CG 4.02Å; M8-L196 HydrophobicContact CE-CD2 4.04Å; M8-L196 HydrophobicContact SD-CD2 3.61Å; M8-L196 HydrophobicContact SD-CG 3.86Å; M8-L199 HydrophobicContact CE-CD1 4.35Å; M8-I218 HydrophobicContact CG-CB 3.92Å; M8-I218 HydrophobicContact CG-CD1 4.36Å; M8-I218 HydrophobicContact CG-CG2 4.31Å; M8-I218 PolarHBondContact N-O 2.93Å; M8-I218 WeakPolarHBondContact O-CA 3.33Å; M8-I218 WeakPolarHBondContact O-CB 3.35Å; M8-I218 WeakPolarHBondContact O-CG1 3.4Å; M8-I218 PolarHBondContact O-N 3.24Å; M8-L220 HydrophobicContact CE-CD2 4.3Å
9L98.7Very high90.6Very high0 Ų045.9 Ų45.90%022%0.222CC..EExtended strand (participates in β ladder)trans-156.816217557.791.1000111.9C41 T66 I70 L184 I185 A187 V216L9-C41 HydrophobicContact CD2-CB 4.46Å; L9-T66 HydrophobicContact CD1-CG2 3.56Å; L9-I70 HydrophobicContact CD1-CD1 4.34Å; L9-I70 HydrophobicContact CD2-CD1 3.46Å; L9-I70 VanDerWaalsContact CD2-CD1 3.46Å; L9-L184 HydrophobicContact CD2-CD1 4.05Å; L9-I185 PolarHBondContact N-O 3.15Å; L9-A187 CarbonylContact O-C 3.57Å; L9-A187 PolarHBondContact O-N 3.36Å; L9-V216 WeakPolarHBondContact CB-O 3.45Å
10R98.1Very high90.7Very high24 Ų2444.7 Ų44.79%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-91.4134.7164.8179.6-176.7-166.8-177.23.2108.6L212 T214 G215R10-L212 PolarHBondContact NH1-O 3.26Å; R10-T214 HydrophobicContact CG-CG2 4.46Å; R10-G215 PolarHBondContact O-N 3.17Å
11H97.4Very high90.9Very high3 Ų345 Ų451%0.01422%0.215CC..PPolyproline II helixtrans-51.2160.8172.766.276.1000113.4L30 R62 T66 A187 H188 T214H11-L30 HydrophobicContact CB-CD2 4.29Å; H11-R62 WeakPolarHBondContact CE1-CD 3.32Å; H11-R62 PolarHBondContact CE1-NE 3.27Å; H11-R62 WeakPolarHBondContact NE2-CD 3.46Å; H11-R62 PolarHBondContact NE2-NE 3.18Å; H11-T66 VanDerWaalsContact CB-OG1 3.32Å; H11-T66 WeakPolarHBondContact CB-OG1 3.45Å; H11-A187 PolarHBondContact CD2-O 2.92Å; H11-A187 PolarHBondContact N-O 3.34Å; H11-H188 AromaticContact CD2-CE1 3.6Å; H11-H188 AromaticContact CD2-CG 3.95Å; H11-H188 AromaticContact CD2-ND1 3.02Å; H11-H188 PolarHBondContact CD2-ND1 3.4Å; H11-H188 AromaticContact NE2-CE1 3.75Å; H11-H188 AromaticContact NE2-ND1 2.96Å; H11-H188 PolarHBondContact NE2-ND1 2.92Å; H11-T214 WeakPolarHBondContact O-CB 3.5Å
12G92.3Very high92.6Very high0 Ų034.5 Ų34.50%016%0.163CC..PPolyproline II helixtrans-65.7173.8174.600000114L30 E37G12-L30 WeakPolarHBondContact O-CD2 3.44Å; G12-E37 WeakPolarHBondContact CA-OE2 3.44Å
13E89.5Confident93.6Very high16 Ų1632.5 Ų32.58%0.07515%0.149CC..PPolyproline II helixtrans-61.3138.9-177.1-154.3175.5-114.500112N17 N31 G34 E37 K247E13-N17 HydrophobicContact CG-CB 3.36Å; E13-N31 PolarHBondContact O-N 3.47Å; E13-N31 PolarHBondContact O-OD1 3.32Å; E13-G34 WeakPolarHBondContact O-CA 3.36Å; E13-E37 PolarHBondContact N-OE2 2.9Å; E13-K247 IonicContact OE1-NZ 3.03Å; E13-K247 PolarHBondContact OE1-NZ 2.8Å
14G91.3Very high94.1Very high1 Ų126.9 Ų26.91%0.0113%0.125CC..BIsolated β-bridgetrans-108171.9164.300000110.8W16 N17 K18G14-W16 VanDerWaalsContact C-N 3.25Å; G14-W16 PolarHBondContact O-N 3.36Å; G14-N17 PolarHBondContact N-OD1 3.1Å; G14-N17 WeakPolarHBondContact O-CB 3.24Å; G14-N17 PolarHBondContact O-N 3.05Å; G14-K18 PolarHBondContact O-N 3.08Å
15A90Very high94.2Very high36 Ų3625.6 Ų25.630%0.29812%0.12SC..Hα-helixtrans-59.5-33.5-177.700000113N17 K18 E19 Q28A15-N17 PolarHBondContact O-N 3.29Å; A15-K18 WeakPolarHBondContact O-CB 3.43Å; A15-K18 PolarHBondContact O-N 3.42Å; A15-E19 WeakPolarHBondContact O-CG 3.28Å; A15-E19 PolarHBondContact O-N 2.84Å; A15-Q28 VanDerWaalsContact CA-NE2 3.35Å; A15-Q28 VanDerWaalsContact N-NE2 3.14Å
16W92.9Very high94.4Very high23 Ų2320.6 Ų20.69%0.08710%0.099CC..Hα-helixtrans-77.6-20.1178.8-69.511.6000113.8G14 K18 N20 R21 F22 C23 V26 Q28 I96 G97 Y132G14-W16 VanDerWaalsContact C-N 3.25Å; G14-W16 PolarHBondContact O-N 3.36Å; W16-K18 VanDerWaalsContact C-N 3.31Å; W16-N20 PolarHBondContact O-N 3.09Å; W16-N20 VanDerWaalsContact O-N 3.08Å; W16-R21 HydrophobicContact CB-CB 4.05Å; W16-R21 HydrophobicContact CD2-CB 4.19Å; W16-R21 VanDerWaalsContact CE2-NH1 3.34Å; W16-R21 HydrophobicContact CE3-CB 4.02Å; W16-R21 HydrophobicContact CG-CB 4.21Å; W16-R21 PolarHBondContact O-N 3.38Å; W16-F22 WeakPolarHBondContact CZ3-O 3.25Å; W16-C23 HydrophobicContact CB-CB 4.33Å; W16-C23 HydrophobicContact CE3-CB 4.1Å; W16-V26 HydrophobicContact CH2-CB 4.35Å; W16-V26 HydrophobicContact CH2-CG1 3.96Å; W16-V26 HydrophobicContact CH2-CG2 3.99Å; W16-V26 HydrophobicContact CZ2-CG1 4.32Å; W16-V26 HydrophobicContact CZ3-CB 4.27Å; W16-V26 HydrophobicContact CZ3-CG1 4.26Å; W16-V26 HydrophobicContact CZ3-CG2 4.01Å; W16-Q28 VanDerWaalsContact N-OE1 3.12Å; W16-I96 HydrophobicContact CZ3-CG2 4.45Å; W16-G97 VanDerWaalsContact CZ3-CA 3.46Å; W16-Y132 HydrophobicContact CH2-CD1 4Å; W16-Y132 HydrophobicContact CH2-CD2 4.15Å; W16-Y132 AromaticContact CH2-CE1 3.54Å; W16-Y132 HydrophobicContact CH2-CE1 3.54Å; W16-Y132 AromaticContact CH2-CE2 3.68Å; W16-Y132 HydrophobicContact CH2-CE2 3.68Å; W16-Y132 HydrophobicContact CH2-CG 4.3Å; W16-Y132 AromaticContact CH2-CZ 3.35Å; W16-Y132 AromaticContact CZ2-CE1 3.73Å; W16-Y132 HydrophobicContact CZ2-CE1 3.73Å; W16-Y132 HydrophobicContact CZ2-CE2 4.35Å; W16-Y132 AromaticContact CZ2-CZ 3.61Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.38Å
17N85.9Confident94.5Very high9 Ų922.7 Ų22.75%0.04811%0.11CC..Hα-helixtrans-66-42.4168.1-67.291.4000109.7E13 G14 A15 N20 Q251E13-N17 HydrophobicContact CG-CB 3.36Å; G14-N17 PolarHBondContact N-OD1 3.1Å; G14-N17 WeakPolarHBondContact O-CB 3.24Å; G14-N17 PolarHBondContact O-N 3.05Å; A15-N17 PolarHBondContact O-N 3.29Å; N17-N20 PolarHBondContact O-N 2.87Å; N17-Q251 PolarHBondContact O-NE2 2.89Å
18K85.6Confident94.4Very high131 Ų13124 Ų2457%0.5712%0.116SC*.Hα-helixtrans-67.2-41.2176.2-164.5170.5-174.5170.10112.5G14 A15 W16 N20 E33G14-K18 PolarHBondContact O-N 3.08Å; A15-K18 WeakPolarHBondContact O-CB 3.43Å; A15-K18 PolarHBondContact O-N 3.42Å; W16-K18 VanDerWaalsContact C-N 3.31Å; K18-N20 PolarHBondContact O-N 2.88Å; K18-E33 IonicContact NZ-OE1 3.89Å; K18-E33 PolarHBondContact NZ-OE1 2.88Å
19E91Very high94.4Very high95 Ų9531 Ų3144%0.44415%0.147SC..THydrogen-bonded Turntrans-76.61.2174.8-64.1163.6-150.800113.6A15 R21 N99A15-E19 WeakPolarHBondContact O-CG 3.28Å; A15-E19 PolarHBondContact O-N 2.84Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.19Å; E19-R21 PolarHBondContact O-N 3.42Å; E19-R21 WeakPolarHBondContact OE2-CD 3.35Å; E19-R21 IonicContact OE2-NH1 3.3Å; E19-N99 PolarHBondContact O-ND2 2.64Å
20N92.4Very high94.4Very high20 Ų2031.6 Ų31.611%0.10715%0.15CC..THydrogen-bonded Turntrans55.340.7-178.1-163.721.5000114.8W16 N17 K18 N99 R100 Q251W16-N20 PolarHBondContact O-N 3.09Å; W16-N20 VanDerWaalsContact O-N 3.08Å; N17-N20 PolarHBondContact O-N 2.87Å; K18-N20 PolarHBondContact O-N 2.88Å; N20-N99 CarbonylContact O-C 3.56Å; N20-N99 WeakPolarHBondContact O-CA 3.48Å; N20-R100 WeakPolarHBondContact O-CG 3.19Å; N20-R100 PolarHBondContact O-N 2.89Å; N20-R100 WeakPolarHBondContact OD1-CB 3.45Å; N20-R100 WeakPolarHBondContact OD1-CD 3.37Å; N20-R100 WeakPolarHBondContact OD1-CG 3.25Å; N20-R100 PolarHBondContact OD1-NH1 3.23Å; N20-Q251 PolarHBondContact ND2-O 3.05Å; N20-Q251 WeakPolarHBondContact OD1-CB 3.4Å; N20-Q251 PolarHBondContact OD1-O 3.2Å
21R95.6Very high94.3Very high51 Ų5131.5 Ų31.519%0.19215%0.151CC..BIsolated β-bridgetrans-105.8148.6176.4-57.817365.1-161.7-2.7112.4W16 E19 C23 G97 L98 R100 Y132W16-R21 HydrophobicContact CB-CB 4.05Å; W16-R21 HydrophobicContact CD2-CB 4.19Å; W16-R21 VanDerWaalsContact CE2-NH1 3.34Å; W16-R21 HydrophobicContact CE3-CB 4.02Å; W16-R21 HydrophobicContact CG-CB 4.21Å; W16-R21 PolarHBondContact O-N 3.38Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.19Å; E19-R21 PolarHBondContact O-N 3.42Å; E19-R21 WeakPolarHBondContact OE2-CD 3.35Å; E19-R21 IonicContact OE2-NH1 3.3Å; R21-C23 PolarHBondContact O-N 2.89Å; R21-G97 VanDerWaalsContact CZ-O 3.26Å; R21-G97 PolarHBondContact NE-O 3.45Å; R21-G97 VanDerWaalsContact NH2-CA 3.31Å; R21-G97 PolarHBondContact NH2-O 2.83Å; R21-L98 VanDerWaalsContact CA-O 3.27Å; R21-L98 WeakPolarHBondContact CA-O 3.29Å; R21-R100 VanDerWaalsContact O-CZ 3.25Å; R21-R100 PolarHBondContact O-NH1 3.45Å; R21-R100 PolarHBondContact O-NH2 3.36Å; R21-Y132 PolarHBondContact NH2-OH 3.14Å
22F95.8Very high94.3Very high0 Ų035.3 Ų35.30%018%0.178CC..  trans-70.5106.6173.2-68.8-79000111.1W16 Y92 L95 G97 L98 R100 M103 R116W16-F22 WeakPolarHBondContact CZ3-O 3.25Å; F22-Y92 HydrophobicContact CB-CG 4.42Å; F22-Y92 AromaticContact CD1-CD1 3.57Å; F22-Y92 HydrophobicContact CD1-CD1 3.57Å; F22-Y92 HydrophobicContact CD1-CD2 4.05Å; F22-Y92 AromaticContact CD1-CE1 3.45Å; F22-Y92 HydrophobicContact CD1-CE1 3.45Å; F22-Y92 VanDerWaalsContact CD1-CE1 3.45Å; F22-Y92 AromaticContact CD1-CE2 3.95Å; F22-Y92 HydrophobicContact CD1-CE2 3.95Å; F22-Y92 AromaticContact CD1-CG 3.86Å; F22-Y92 HydrophobicContact CD1-CG 3.86Å; F22-Y92 AromaticContact CD1-CZ 3.65Å; F22-Y92 AromaticContact CE1-CD1 3.78Å; F22-Y92 HydrophobicContact CE1-CD1 3.78Å; F22-Y92 AromaticContact CE1-CE1 3.31Å; F22-Y92 HydrophobicContact CE1-CE1 3.31Å; F22-Y92 HydrophobicContact CE1-CE2 4.46Å; F22-Y92 AromaticContact CE1-CZ 3.71Å; F22-Y92 HydrophobicContact CG-CD1 4.3Å; F22-Y92 HydrophobicContact CG-CG 4.4Å; F22-Y92 HydrophobicContact CZ-CE1 4.32Å; F22-L95 VanDerWaalsContact CB-O 3.32Å; F22-L95 WeakPolarHBondContact CB-O 3.46Å; F22-L95 HydrophobicContact CD2-CB 4.13Å; F22-L95 WeakPolarHBondContact CD2-O 3.44Å; F22-L95 HydrophobicContact CE2-CB 4.43Å; F22-L95 HydrophobicContact CG-CB 4.47Å; F22-G97 PolarHBondContact O-N 3.3Å; F22-L98 HydrophobicContact CD2-CB 4.5Å; F22-L98 WeakPolarHBondContact CD2-O 3.49Å; F22-L98 PolarHBondContact N-O 2.88Å; F22-R100 HydrophobicContact CD1-CG 4.34Å; F22-R100 HydrophobicContact CD2-CG 3.99Å; F22-R100 HydrophobicContact CE1-CG 4.02Å; F22-R100 HydrophobicContact CE2-CB 4.3Å; F22-R100 HydrophobicContact CE2-CG 3.64Å; F22-R100 HydrophobicContact CG-CG 4.33Å; F22-R100 HydrophobicContact CZ-CB 4.37Å; F22-R100 HydrophobicContact CZ-CG 3.66Å; F22-M103 HydrophobicContact CE2-CG 4.36Å; F22-R116 HydrophobicContact CE1-CG 3.79Å; F22-R116 HydrophobicContact CZ-CG 3.98Å
23C97.3Very high94.5Very high7 Ų739 Ų395%0.04720%0.195CC..  trans-79.2-55.7180-177.90000112.8W16 R21 W25 V26W16-C23 HydrophobicContact CB-CB 4.33Å; W16-C23 HydrophobicContact CE3-CB 4.1Å; R21-C23 PolarHBondContact O-N 2.89Å; C23-W25 PolarHBondContact O-N 3.22Å; C23-V26 WeakPolarHBondContact O-CB 3.3Å; C23-V26 PolarHBondContact O-N 2.69Å; C23-V26 PolarHBondContact SG-O 2.72Å; C23-V26 VanDerWaalsContact SG-O 3.37Å
24S98.3Very high94.9Very high3 Ų338.2 Ų38.22%0.02119%0.192CC..THydrogen-bonded Turntrans55.7-128.3176.9-167.30000112.5V26 R62 R90 H91 Y92S24-V26 VanDerWaalsContact C-N 3.28Å; S24-V26 PolarHBondContact O-N 3.33Å; S24-R62 PolarHBondContact O-NH2 3.03Å; S24-R90 PolarHBondContact OG-O 2.98Å; S24-H91 VanDerWaalsContact OG-CA 3.27Å; S24-H91 WeakPolarHBondContact OG-CA 3.46Å; S24-Y92 PolarHBondContact OG-N 2.74Å
25W98.8Very high95.3Very high2 Ų242.3 Ų42.31%0.00821%0.212CC..THydrogen-bonded Turntrans-80.3-3.8-176.7-76.536.4000114.4C23 D27 W85 N88 E89 H91 I136 Y142 L152 P153C23-W25 PolarHBondContact O-N 3.22Å; W25-D27 PolarHBondContact O-N 2.95Å; W25-W85 AromaticContact CH2-CE3 3.64Å; W25-W85 HydrophobicContact CH2-CE3 3.64Å; W25-W85 HydrophobicContact CH2-CZ3 4.01Å; W25-W85 AromaticContact CZ2-CE3 3.92Å; W25-W85 HydrophobicContact CZ2-CE3 3.92Å; W25-W85 HydrophobicContact CZ2-CZ3 4.22Å; W25-N88 HydrophobicContact CZ2-CB 4.25Å; W25-E89 VanDerWaalsContact CD1-O 3.28Å; W25-E89 PolarHBondContact NE1-O 3.24Å; W25-H91 AromaticContact CD1-CD2 3.9Å; W25-H91 AromaticContact CD2-CD2 3.39Å; W25-H91 AromaticContact CE2-CD2 3.73Å; W25-H91 AromaticContact CE3-CD2 3.74Å; W25-H91 AromaticContact CG-CD2 3.53Å; W25-H91 AromaticContact NE1-CD2 4Å; W25-I136 HydrophobicContact CB-CD1 4.1Å; W25-I136 HydrophobicContact CB-CG1 4.39Å; W25-I136 HydrophobicContact CB-CG2 4.11Å; W25-I136 HydrophobicContact CE3-CG2 4.08Å; W25-Y142 AromaticContact CE3-CE1 3.76Å; W25-Y142 HydrophobicContact CE3-CE1 3.76Å; W25-Y142 HydrophobicContact CE3-CE2 4.4Å; W25-Y142 AromaticContact CE3-CZ 3.66Å; W25-Y142 HydrophobicContact CH2-CE1 4.36Å; W25-Y142 HydrophobicContact CZ3-CD1 4.07Å; W25-Y142 AromaticContact CZ3-CE1 3.6Å; W25-Y142 HydrophobicContact CZ3-CE1 3.6Å; W25-Y142 AromaticContact CZ3-CZ 4Å; W25-L152 HydrophobicContact CH2-CB 4.46Å; W25-L152 HydrophobicContact CH2-CD2 4.06Å; W25-L152 HydrophobicContact CZ3-CB 4.34Å; W25-L152 HydrophobicContact CZ3-CD1 4.41Å; W25-L152 HydrophobicContact CZ3-CD2 4.36Å; W25-P153 HydrophobicContact CH2-CG 3.72Å; W25-P153 HydrophobicContact CZ2-CG 3.72Å
26V98.6Very high95.6Very high9 Ų945.1 Ų45.16%0.05522%0.219CC..SBendtrans-60127.6167.1172.10000108.5W16 C23 S24 Q28 R62 I96 Y132 E135 I136W16-V26 HydrophobicContact CH2-CB 4.35Å; W16-V26 HydrophobicContact CH2-CG1 3.96Å; W16-V26 HydrophobicContact CH2-CG2 3.99Å; W16-V26 HydrophobicContact CZ2-CG1 4.32Å; W16-V26 HydrophobicContact CZ3-CB 4.27Å; W16-V26 HydrophobicContact CZ3-CG1 4.26Å; W16-V26 HydrophobicContact CZ3-CG2 4.01Å; C23-V26 WeakPolarHBondContact O-CB 3.3Å; C23-V26 PolarHBondContact O-N 2.69Å; C23-V26 PolarHBondContact SG-O 2.72Å; C23-V26 VanDerWaalsContact SG-O 3.37Å; S24-V26 VanDerWaalsContact C-N 3.28Å; S24-V26 PolarHBondContact O-N 3.33Å; V26-Q28 PolarHBondContact O-N 2.95Å; V26-R62 PolarHBondContact O-NH1 3.28Å; V26-I96 HydrophobicContact CG2-CG2 3.45Å; V26-I96 VanDerWaalsContact CG2-CG2 3.45Å; V26-Y132 HydrophobicContact CG2-CD1 4.24Å; V26-Y132 HydrophobicContact CG2-CG 4.13Å; V26-E135 WeakPolarHBondContact CG1-OE1 3.35Å; V26-E135 WeakPolarHBondContact CG2-OE1 3.31Å; V26-I136 HydrophobicContact CG2-CD1 4.24Å
27D98.3Very high95.9Very high45 Ų4546.4 Ų46.424%0.24123%0.225CC..  trans-84.652.1-171.9-164.537.8000113W25 L60 N61 R141W25-D27 PolarHBondContact O-N 2.95Å; D27-L60 HydrophobicContact CB-CD2 4.47Å; D27-L60 VanDerWaalsContact OD1-CA 3.32Å; D27-L60 WeakPolarHBondContact OD1-CA 3.14Å; D27-N61 PolarHBondContact O-ND2 2.72Å; D27-N61 PolarHBondContact OD1-N 2.77Å; D27-N61 PolarHBondContact OD1-ND2 3.32Å; D27-N61 VanDerWaalsContact OD1-ND2 3.1Å; D27-N61 PolarHBondContact OD2-ND2 2.95Å; D27-R141 IonicContact OD1-NH1 3.45Å; D27-R141 PolarHBondContact OD1-NH1 3.13Å; D27-R141 IonicContact OD2-CZ 2.85Å; D27-R141 IonicContact OD2-NH1 3.23Å; D27-R141 PolarHBondContact OD2-NH1 2.82Å; D27-R141 IonicContact OD2-NH2 3.61Å; D27-R141 PolarHBondContact OD2-NH2 2.94Å
28Q96.9Very high96.5Very high30 Ų3046 Ų4614%0.1422%0.223CC..PPolyproline II helixtrans-68138.6178.2-170.8174.623.600111.7A15 W16 V26 R62A15-Q28 VanDerWaalsContact CA-NE2 3.35Å; A15-Q28 VanDerWaalsContact N-NE2 3.14Å; W16-Q28 VanDerWaalsContact N-OE1 3.12Å; V26-Q28 PolarHBondContact O-N 2.95Å; Q28-R62 WeakPolarHBondContact O-CD 3.26Å
29K98.1Very high97.1Very high145 Ų14542.4 Ų42.463%0.6321%0.206SC*.PPolyproline II helixtrans-75.7161.3174.4-62.1-176177.7-1760112.7N61K29-N61 WeakPolarHBondContact CA-OD1 3.48Å
30L98.1Very high97.5Very high13 Ų1341.3 Ų41.37%0.06820%0.204CC..BIsolated β-bridgetrans-60.8147.2164.7-61.6173.3000110.2H11 G12 M35 R62 H65 L69H11-L30 HydrophobicContact CB-CD2 4.29Å; G12-L30 WeakPolarHBondContact O-CD2 3.44Å; L30-M35 HydrophobicContact CB-CE 4.42Å; L30-M35 HydrophobicContact CB-CG 4.01Å; L30-M35 HydrophobicContact CD1-CG 4.38Å; L30-R62 HydrophobicContact CD2-CB 3.95Å; L30-R62 HydrophobicContact CG-CB 4.1Å; L30-H65 HydrophobicContact CD1-CB 3.99Å; L30-L69 HydrophobicContact CD1-CD1 4.26Å
31N96.9Very high97.8Very high23 Ų2340.4 Ų40.412%0.12320%0.198CC..  trans-89.3-178.5164.265.115.4000110.2E13 E33 G34 M35E13-N31 PolarHBondContact O-N 3.47Å; E13-N31 PolarHBondContact O-OD1 3.32Å; N31-E33 VanDerWaalsContact C-N 3.3Å; N31-E33 PolarHBondContact O-N 3.14Å; N31-E33 PolarHBondContact OD1-N 3.28Å; N31-G34 PolarHBondContact O-N 2.99Å; N31-G34 PolarHBondContact OD1-N 3.25Å; N31-M35 WeakPolarHBondContact O-CG 3.35Å; N31-M35 PolarHBondContact O-N 3.45Å
32S97.4Very high97.9Very high83 Ų8338 Ų3858%0.5819%0.189SC*.Hα-helixtrans-54.4-45.3177.132.30000112.6M35 E36S32-M35 PolarHBondContact O-N 2.87Å; S32-E36 PolarHBondContact O-N 3.44Å; S32-E36 VanDerWaalsContact O-N 3.12Å
33E96.4Very high98.1Very high77 Ų7742.4 Ų42.436%0.3621%0.209SC..Hα-helixtrans-64.8-41.5-179.6-61.292.9138.200111.3K18 N31 M35 E36 E37K18-E33 IonicContact NZ-OE1 3.89Å; K18-E33 PolarHBondContact NZ-OE1 2.88Å; N31-E33 VanDerWaalsContact C-N 3.3Å; N31-E33 PolarHBondContact O-N 3.14Å; N31-E33 PolarHBondContact OD1-N 3.28Å; E33-M35 VanDerWaalsContact C-N 3.35Å; E33-M35 PolarHBondContact O-N 3Å; E33-E36 PolarHBondContact O-N 3.17Å; E33-E37 WeakPolarHBondContact O-CG 3.23Å; E33-E37 PolarHBondContact O-N 2.89Å
34G97.6Very high98.1Very high0 Ų045.2 Ų45.20%022%0.221CC..Hα-helixtrans-69.4-28.6177.700000114.2E13 N31 E37 A38E13-G34 WeakPolarHBondContact O-CA 3.36Å; N31-G34 PolarHBondContact O-N 2.99Å; N31-G34 PolarHBondContact OD1-N 3.25Å; G34-E37 WeakPolarHBondContact CA-OE2 3.48Å; G34-A38 PolarHBondContact O-N 2.67Å
35M98.6Very high98.1Very high87 Ų8745.1 Ų45.143%0.42922%0.22SC..Hα-helixtrans-68.5-45.1169.9-67.5175.8-170.100110.7L30 N31 S32 E33 A38 R39 L69L30-M35 HydrophobicContact CB-CE 4.42Å; L30-M35 HydrophobicContact CB-CG 4.01Å; L30-M35 HydrophobicContact CD1-CG 4.38Å; N31-M35 WeakPolarHBondContact O-CG 3.35Å; N31-M35 PolarHBondContact O-N 3.45Å; S32-M35 PolarHBondContact O-N 2.87Å; E33-M35 VanDerWaalsContact C-N 3.35Å; E33-M35 PolarHBondContact O-N 3Å; M35-A38 WeakPolarHBondContact O-CB 3.29Å; M35-A38 PolarHBondContact O-N 2.92Å; M35-R39 WeakPolarHBondContact O-CG 3.38Å; M35-R39 PolarHBondContact O-N 2.68Å; M35-L69 HydrophobicContact CB-CD1 3.99Å; M35-L69 HydrophobicContact CG-CD1 4.1Å
36E98.4Very high98Very high95 Ų9550.4 Ų50.444%0.44424%0.243SC..Hα-helixtrans-64.9-38.7176.5-72.2-56.3119.700112.6S32 E33 A38 R39 N40S32-E36 PolarHBondContact O-N 3.44Å; S32-E36 VanDerWaalsContact O-N 3.12Å; E33-E36 PolarHBondContact O-N 3.17Å; E36-A38 VanDerWaalsContact C-N 3.29Å; E36-A38 PolarHBondContact O-N 3.3Å; E36-R39 PolarHBondContact O-N 3.17Å; E36-N40 WeakPolarHBondContact O-CB 3.24Å; E36-N40 PolarHBondContact O-N 3.39Å; E36-N40 PolarHBondContact O-ND2 3.11Å; E36-N40 VanDerWaalsContact O-ND2 3.17Å
37E98.2Very high98Very high49 Ų4953.8 Ų53.823%0.22927%0.272CS..Hα-helixtrans-55.3-44171-81.5178.3125.900111.6G12 E13 E33 G34 N40 C41 T214G12-E37 WeakPolarHBondContact CA-OE2 3.44Å; E13-E37 PolarHBondContact N-OE2 2.9Å; E33-E37 WeakPolarHBondContact O-CG 3.23Å; E33-E37 PolarHBondContact O-N 2.89Å; G34-E37 WeakPolarHBondContact CA-OE2 3.48Å; E37-N40 PolarHBondContact O-N 2.9Å; E37-C41 PolarHBondContact O-N 2.9Å; E37-C41 PolarHBondContact O-SG 3.11Å; E37-T214 PolarHBondContact OE1-OG1 2.77Å
38A98.7Very high97.9Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-66.9-41.6177.100000112.4G34 M35 E36 N40 C41 G42 T66 L69 I70G34-A38 PolarHBondContact O-N 2.67Å; M35-A38 WeakPolarHBondContact O-CB 3.29Å; M35-A38 PolarHBondContact O-N 2.92Å; E36-A38 VanDerWaalsContact C-N 3.29Å; E36-A38 PolarHBondContact O-N 3.3Å; A38-N40 VanDerWaalsContact C-N 3.32Å; A38-N40 PolarHBondContact O-N 3.12Å; A38-C41 WeakPolarHBondContact O-CB 3.42Å; A38-C41 PolarHBondContact O-N 3.42Å; A38-G42 PolarHBondContact O-N 2.97Å; A38-G42 VanDerWaalsContact O-N 3.07Å; A38-T66 HydrophobicContact CB-CG2 3.86Å; A38-L69 HydrophobicContact CB-CB 3.87Å; A38-L69 HydrophobicContact CB-CD1 3.81Å; A38-I70 VanDerWaalsContact O-CG1 3.3Å; A38-I70 WeakPolarHBondContact O-CG1 3.41Å
39R98.8Very high97.9Very high57 Ų5761.3 Ų61.322%0.21531%0.313CS..Hα-helixtrans-61.8-41.4174.6-68.3-171.9178.2-64.2-4.9111.8M35 E36 C41 G42 K43 L69 E72 E73M35-R39 WeakPolarHBondContact O-CG 3.38Å; M35-R39 PolarHBondContact O-N 2.68Å; E36-R39 PolarHBondContact O-N 3.17Å; R39-C41 VanDerWaalsContact C-N 3.34Å; R39-C41 PolarHBondContact O-N 3.02Å; R39-G42 PolarHBondContact O-N 3.29Å; R39-G42 VanDerWaalsContact O-N 3.13Å; R39-K43 WeakPolarHBondContact O-CG 3.09Å; R39-K43 PolarHBondContact O-N 2.86Å; R39-L69 HydrophobicContact CG-CB 4.46Å; R39-L69 HydrophobicContact CG-CD2 4.39Å; R39-L69 VanDerWaalsContact CZ-CD2 3.44Å; R39-E72 IonicContact CZ-OE2 2.99Å; R39-E72 IonicContact NH1-OE2 3.63Å; R39-E72 PolarHBondContact NH1-OE2 3.47Å; R39-E72 IonicContact NH2-OE2 2.88Å; R39-E72 PolarHBondContact NH2-OE2 3Å; R39-E73 HydrophobicContact CB-CG 4.14Å; R39-E73 WeakPolarHBondContact CD-OE1 3.34Å; R39-E73 HydrophobicContact CG-CG 4.34Å; R39-E73 WeakPolarHBondContact CG-OE1 3.48Å; R39-E73 IonicContact CZ-OE1 2.75Å; R39-E73 IonicContact NH1-OE1 3.07Å; R39-E73 PolarHBondContact NH1-OE1 3.49Å
40N98.3Very high97.9Very high72 Ų7256.1 Ų56.139%0.38529%0.29SS..Hα-helixtrans-64.5-38.4177.1-69.8-27.6000112E36 E37 A38 G42 K43 Q44E36-N40 WeakPolarHBondContact O-CB 3.24Å; E36-N40 PolarHBondContact O-N 3.39Å; E36-N40 PolarHBondContact O-ND2 3.11Å; E36-N40 VanDerWaalsContact O-ND2 3.17Å; E37-N40 PolarHBondContact O-N 2.9Å; A38-N40 VanDerWaalsContact C-N 3.32Å; A38-N40 PolarHBondContact O-N 3.12Å; N40-G42 VanDerWaalsContact C-N 3.33Å; N40-G42 PolarHBondContact O-N 2.99Å; N40-K43 PolarHBondContact O-N 2.82Å; N40-Q44 VanDerWaalsContact O-CG 3.28Å; N40-Q44 WeakPolarHBondContact O-CG 3.25Å; N40-Q44 PolarHBondContact O-N 3.46Å
41C98.6Very high97.9Very high0 Ų062.9 Ų62.90%032%0.321CS..Hα-helixtrans-57.1-47.5169.9-67.60000111.2L9 E37 A38 R39 K43 Q44 L45 I70 G215 P217L9-C41 HydrophobicContact CD2-CB 4.46Å; E37-C41 PolarHBondContact O-N 2.9Å; E37-C41 PolarHBondContact O-SG 3.11Å; A38-C41 WeakPolarHBondContact O-CB 3.42Å; A38-C41 PolarHBondContact O-N 3.42Å; R39-C41 VanDerWaalsContact C-N 3.34Å; R39-C41 PolarHBondContact O-N 3.02Å; C41-K43 PolarHBondContact O-N 3.49Å; C41-Q44 PolarHBondContact O-N 3.3Å; C41-L45 WeakPolarHBondContact O-CB 3.43Å; C41-L45 VanDerWaalsContact O-CG 3.28Å; C41-L45 WeakPolarHBondContact O-CG 3.37Å; C41-L45 PolarHBondContact O-N 3.39Å; C41-I70 HydrophobicContact CB-CD1 3.83Å; C41-I70 HydrophobicContact CB-CG1 3.93Å; C41-G215 PolarHBondContact SG-O 2.99Å; C41-P217 HydrophobicContact CB-CG 3.96Å
42G98.6Very high98Very high0 Ų062 Ų620%032%0.316CS..Hα-helixtrans-58.8-46.1177.900000112.8A38 R39 N40 Q44 L45 K46A38-G42 PolarHBondContact O-N 2.97Å; A38-G42 VanDerWaalsContact O-N 3.07Å; R39-G42 PolarHBondContact O-N 3.29Å; R39-G42 VanDerWaalsContact O-N 3.13Å; N40-G42 VanDerWaalsContact C-N 3.33Å; N40-G42 PolarHBondContact O-N 2.99Å; G42-Q44 PolarHBondContact O-N 2.91Å; G42-L45 PolarHBondContact O-N 3.26Å; G42-K46 WeakPolarHBondContact O-CB 3.47Å; G42-K46 PolarHBondContact O-N 3.24Å
43K98.5Very high98Very high94 Ų9461.6 Ų61.641%0.40931%0.308SS..Hα-helixtrans-61.3-41.7176.1-67.9168.6-172.21660112.8R39 N40 C41 K46 A47 E73R39-K43 WeakPolarHBondContact O-CG 3.09Å; R39-K43 PolarHBondContact O-N 2.86Å; N40-K43 PolarHBondContact O-N 2.82Å; C41-K43 PolarHBondContact O-N 3.49Å; K43-K46 WeakPolarHBondContact O-CB 3.38Å; K43-K46 PolarHBondContact O-N 3.25Å; K43-A47 PolarHBondContact O-N 3.41Å; K43-E73 WeakPolarHBondContact CE-OE2 3.49Å; K43-E73 WeakPolarHBondContact CG-OE2 3.49Å
44Q97.7Very high98.2Very high66 Ų6659.4 Ų59.431%0.30830%0.299SS..Hα-helixtrans-64.1-47176.8-72.7169.90.300111.5N40 C41 G42 K46 A47 L48 P217N40-Q44 VanDerWaalsContact O-CG 3.28Å; N40-Q44 WeakPolarHBondContact O-CG 3.25Å; N40-Q44 PolarHBondContact O-N 3.46Å; C41-Q44 PolarHBondContact O-N 3.3Å; G42-Q44 PolarHBondContact O-N 2.91Å; Q44-K46 VanDerWaalsContact C-N 3.29Å; Q44-K46 PolarHBondContact O-N 3.14Å; Q44-A47 PolarHBondContact O-N 3.41Å; Q44-L48 WeakPolarHBondContact O-CG 3.44Å; Q44-L48 PolarHBondContact O-N 3.16Å; Q44-P217 VanDerWaalsContact OE1-CD 3.25Å
45L98.2Very high98.2Very high0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-64.5-36.2178.3-67.8170000111.5I7 C41 G42 L48 N49 F50 F52 I70 L74 P217 L235I7-L45 HydrophobicContact CD1-CD2 4.1Å; I7-L45 HydrophobicContact CG1-CD2 3.98Å; I7-L45 HydrophobicContact CG2-CD1 4.36Å; I7-L45 HydrophobicContact CG2-CD2 4.16Å; C41-L45 WeakPolarHBondContact O-CB 3.43Å; C41-L45 VanDerWaalsContact O-CG 3.28Å; C41-L45 WeakPolarHBondContact O-CG 3.37Å; C41-L45 PolarHBondContact O-N 3.39Å; G42-L45 PolarHBondContact O-N 3.26Å; L45-L48 CarbonylContact O-C 3.52Å; L45-L48 PolarHBondContact O-N 2.87Å; L45-N49 PolarHBondContact O-N 2.78Å; L45-F50 HydrophobicContact CB-CB 4.28Å; L45-F50 HydrophobicContact CB-CD2 4.31Å; L45-F50 HydrophobicContact CD2-CD2 3.6Å; L45-F50 HydrophobicContact CD2-CE2 3.91Å; L45-F50 HydrophobicContact CD2-CG 4.09Å; L45-F50 PolarHBondContact O-N 2.67Å; L45-F52 HydrophobicContact CD1-CE2 4.03Å; L45-F52 HydrophobicContact CD1-CZ 4Å; L45-F52 HydrophobicContact CD2-CZ 4.39Å; L45-I70 HydrophobicContact CD1-CG2 3.98Å; L45-L74 HydrophobicContact CB-CD2 4.13Å; L45-P217 HydrophobicContact CD2-CB 4.19Å; L45-P217 HydrophobicContact CD2-CG 4.5Å; L45-P217 HydrophobicContact CG-CG 4.33Å; L45-L235 HydrophobicContact CD2-CD1 4.33Å
46K98.3Very high98.2Very high114 Ų11455.5 Ų55.550%0.49628%0.279SS..Hα-helixtrans-62.2-44.8173.2-166.9-178.5-160.5154.20111.9G42 K43 Q44 L48 N49 E73 L74G42-K46 WeakPolarHBondContact O-CB 3.47Å; G42-K46 PolarHBondContact O-N 3.24Å; K43-K46 WeakPolarHBondContact O-CB 3.38Å; K43-K46 PolarHBondContact O-N 3.25Å; Q44-K46 VanDerWaalsContact C-N 3.29Å; Q44-K46 PolarHBondContact O-N 3.14Å; K46-L48 PolarHBondContact O-N 3.23Å; K46-N49 PolarHBondContact O-N 3.08Å; K46-E73 WeakPolarHBondContact CD-O 3.36Å; K46-E73 WeakPolarHBondContact CE-O 3.44Å; K46-E73 PolarHBondContact NZ-O 3.39Å; K46-L74 HydrophobicContact CB-CD2 3.76Å; K46-L74 HydrophobicContact CG-CD2 4.38Å
47A97.3Very high98.3Very high80 Ų8051 Ų5166%0.66126%0.258SS*.Hα-helixtrans-63.1-24.8178.100000112.9K43 Q44K43-A47 PolarHBondContact O-N 3.41Å; Q44-A47 PolarHBondContact O-N 3.41Å
48L96.1Very high98.3Very high97 Ų9748.6 Ų48.651%0.50825%0.247SC..THydrogen-bonded Turntrans-91.54174.6-64.1174.2000113.2Q44 L45 K46 F50 L235Q44-L48 WeakPolarHBondContact O-CG 3.44Å; Q44-L48 PolarHBondContact O-N 3.16Å; L45-L48 CarbonylContact O-C 3.52Å; L45-L48 PolarHBondContact O-N 2.87Å; K46-L48 PolarHBondContact O-N 3.23Å; L48-F50 VanDerWaalsContact C-N 3.31Å; L48-F50 HydrophobicContact CB-CD2 3.73Å; L48-F50 HydrophobicContact CB-CE2 3.85Å; L48-F50 HydrophobicContact CD1-CD2 4.45Å; L48-F50 HydrophobicContact CD1-CE2 3.97Å; L48-F50 PolarHBondContact O-N 3.26Å; L48-L235 HydrophobicContact CD1-CD1 3.79Å
49N97.1Very high98.3Very high136 Ų13649.7 Ų49.773%0.72725%0.254SS*.THydrogen-bonded Turntrans55.340.9-177.9-50.3-63.8000113.3L45 K46 E51L45-N49 PolarHBondContact O-N 2.78Å; K46-N49 PolarHBondContact O-N 3.08Å; N49-E51 PolarHBondContact O-N 3.42Å
50F97.8Very high98.3Very high36 Ų3647 Ų4716%0.15824%0.243CC..  trans-68.7126.6170.9-86.7-85.2000110.8I7 L45 L48 F52 Q76I7-F50 HydrophobicContact CD1-CE1 3.89Å; I7-F50 HydrophobicContact CD1-CE2 4.13Å; I7-F50 HydrophobicContact CD1-CZ 3.57Å; I7-F50 HydrophobicContact CG1-CD1 4.04Å; I7-F50 HydrophobicContact CG1-CE1 3.58Å; I7-F50 HydrophobicContact CG1-CE2 4.4Å; I7-F50 HydrophobicContact CG1-CZ 3.8Å; L45-F50 HydrophobicContact CB-CB 4.28Å; L45-F50 HydrophobicContact CB-CD2 4.31Å; L45-F50 HydrophobicContact CD2-CD2 3.6Å; L45-F50 HydrophobicContact CD2-CE2 3.91Å; L45-F50 HydrophobicContact CD2-CG 4.09Å; L45-F50 PolarHBondContact O-N 2.67Å; L48-F50 VanDerWaalsContact C-N 3.31Å; L48-F50 HydrophobicContact CB-CD2 3.73Å; L48-F50 HydrophobicContact CB-CE2 3.85Å; L48-F50 HydrophobicContact CD1-CD2 4.45Å; L48-F50 HydrophobicContact CD1-CE2 3.97Å; L48-F50 PolarHBondContact O-N 3.26Å; F50-F52 HydrophobicContact CB-CE2 4.03Å; F50-F52 HydrophobicContact CB-CZ 4.01Å; F50-F52 HydrophobicContact CD1-CE1 4.08Å; F50-F52 HydrophobicContact CD1-CZ 4.07Å; F50-F52 HydrophobicContact CG-CZ 4.18Å; F50-Q76 PolarHBondContact O-NE2 3.42Å
51E98.4Very high98.3Very high154 Ų15444.5 Ų44.572%0.7223%0.23SC*.  trans-115.3109.2170.6-65-179.216800107.4N49 A182N49-E51 PolarHBondContact O-N 3.42Å; E51-A182 WeakPolarHBondContact O-CB 3.46Å
52F98.7Very high98.3Very high4 Ų444.8 Ų44.82%0.01823%0.231CC..  trans-88.5140.5-177.8-66.9-68.7000111.3I7 L45 F50 L74 V79 A182 L184I7-F52 HydrophobicContact CB-CE1 4.04Å; I7-F52 HydrophobicContact CB-CZ 4.13Å; I7-F52 HydrophobicContact CG1-CE1 4.05Å; I7-F52 HydrophobicContact CG1-CZ 4.05Å; L45-F52 HydrophobicContact CD1-CE2 4.03Å; L45-F52 HydrophobicContact CD1-CZ 4Å; L45-F52 HydrophobicContact CD2-CZ 4.39Å; F50-F52 HydrophobicContact CB-CE2 4.03Å; F50-F52 HydrophobicContact CB-CZ 4.01Å; F50-F52 HydrophobicContact CD1-CE1 4.08Å; F50-F52 HydrophobicContact CD1-CZ 4.07Å; F50-F52 HydrophobicContact CG-CZ 4.18Å; F52-L74 HydrophobicContact CD2-CD1 3.75Å; F52-L74 HydrophobicContact CE2-CD1 3.63Å; F52-V79 HydrophobicContact CB-CG1 4.23Å; F52-V79 WeakPolarHBondContact O-CG2 3.48Å; F52-A182 HydrophobicContact CD1-CB 4.45Å; F52-L184 HydrophobicContact CD1-CB 3.73Å; F52-L184 HydrophobicContact CD2-CB 4.43Å; F52-L184 HydrophobicContact CE1-CB 3.69Å; F52-L184 HydrophobicContact CE2-CB 4.4Å; F52-L184 HydrophobicContact CE2-CD2 4.36Å; F52-L184 HydrophobicContact CG-CB 4.12Å; F52-L184 HydrophobicContact CZ-CB 4.04Å; F52-L184 HydrophobicContact CZ-CD1 4.32Å
53D98.8Very high98.4Very high76 Ų7644.8 Ų44.841%0.40623%0.231SC..SBendtrans-95.8-29.2173.2-64.2-67.9000112K181 A182D53-K181 HydrophobicContact CB-CB 3.87Å; D53-K181 HydrophobicContact CB-CD 4.03Å; D53-K181 HydrophobicContact CB-CG 4Å; D53-K181 VanDerWaalsContact OD2-CA 3.24Å; D53-K181 WeakPolarHBondContact OD2-CA 3.46Å; D53-A182 PolarHBondContact N-O 2.89Å; D53-A182 PolarHBondContact OD2-N 2.9Å
54L98.8Very high98.4Very high30 Ų3041.7 Ų41.716%0.15722%0.219CC..EExtended strand (participates in β ladder)trans-150.9144.9-177.2-71.7176.1000111.7F56 P80 E176 K181 A182 V183 L184L54-F56 HydrophobicContact CB-CE2 4.17Å; L54-F56 HydrophobicContact CD1-CE2 4.41Å; L54-F56 HydrophobicContact CD1-CZ 4.33Å; L54-P80 HydrophobicContact CD2-CB 3.81Å; L54-P80 HydrophobicContact CD2-CG 4.11Å; L54-E176 HydrophobicContact CD1-CB 3.88Å; L54-E176 HydrophobicContact CD1-CG 3.51Å; L54-K181 HydrophobicContact CD1-CD 3.88Å; L54-K181 HydrophobicContact CG-CD 4.3Å; L54-A182 PolarHBondContact N-O 3.1Å; L54-V183 WeakPolarHBondContact O-CA 3.22Å; L54-L184 PolarHBondContact O-N 2.88Å
55V98.9Very high98.4Very high1 Ų142 Ų421%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-120.6131.6171.5-173.90000110.8T57 A67 L71 V79 P80 V81 E82 L184V55-T57 HydrophobicContact CG1-CG2 3.97Å; V55-A67 HydrophobicContact CG1-CB 3.82Å; V55-L71 HydrophobicContact CG2-CD1 4.04Å; V55-L71 HydrophobicContact CG2-CD2 3.92Å; V55-L71 HydrophobicContact CG2-CG 4.31Å; V55-V79 HydrophobicContact CG2-CG1 3.98Å; V55-P80 PolarHBondContact N-O 2.75Å; V55-V81 HydrophobicContact CB-CG1 4.4Å; V55-V81 HydrophobicContact CB-CG2 4.18Å; V55-V81 HydrophobicContact CG1-CG1 4.45Å; V55-V81 CarbonylContact O-C 3.6Å; V55-V81 WeakPolarHBondContact O-CA 3.11Å; V55-E82 PolarHBondContact O-N 3.45Å; V55-L184 CarbonylContact C-O 3.58Å; V55-L184 WeakPolarHBondContact CA-O 3.44Å; V55-L184 HydrophobicContact CB-CB 4.48Å; V55-L184 HydrophobicContact CG1-CB 4.19Å; V55-L184 HydrophobicContact CG1-CD2 3.99Å; V55-L184 HydrophobicContact CG1-CG 4.05Å; V55-L184 HydrophobicContact CG2-CB 4.09Å; V55-L184 HydrophobicContact CG2-CD2 4.14Å
56F98.9Very high98.5Very high4 Ų442.1 Ų42.12%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-111.5136.4171.5-63.9-86.4000110.8L54 E82 L87 Y168 R172 I173 E176 V183 L184 I185 S186L54-F56 HydrophobicContact CB-CE2 4.17Å; L54-F56 HydrophobicContact CD1-CE2 4.41Å; L54-F56 HydrophobicContact CD1-CZ 4.33Å; F56-E82 CarbonylContact C-O 3.51Å; F56-E82 WeakPolarHBondContact CA-O 3.29Å; F56-E82 HydrophobicContact CD1-CB 3.9Å; F56-E82 HydrophobicContact CD1-CG 4.41Å; F56-E82 HydrophobicContact CE1-CB 4.04Å; F56-E82 HydrophobicContact CE1-CG 4.42Å; F56-L87 HydrophobicContact CB-CD1 3.81Å; F56-Y168 HydrophobicContact CD1-CE1 4.03Å; F56-R172 HydrophobicContact CE1-CB 4.34Å; F56-I173 HydrophobicContact CB-CD1 4.22Å; F56-I173 HydrophobicContact CD1-CD1 4.38Å; F56-I173 HydrophobicContact CD1-CG1 3.96Å; F56-I173 HydrophobicContact CD2-CD1 4.3Å; F56-I173 HydrophobicContact CD2-CG1 3.95Å; F56-I173 HydrophobicContact CD2-CG2 4.12Å; F56-I173 HydrophobicContact CE1-CG1 4.02Å; F56-I173 HydrophobicContact CE2-CB 4.3Å; F56-I173 HydrophobicContact CE2-CG1 4.02Å; F56-I173 HydrophobicContact CE2-CG2 4.05Å; F56-I173 HydrophobicContact CG-CD1 4.05Å; F56-I173 HydrophobicContact CG-CG1 3.91Å; F56-I173 HydrophobicContact CZ-CB 4.5Å; F56-I173 HydrophobicContact CZ-CG1 4.04Å; F56-E176 HydrophobicContact CZ-CG 4.47Å; F56-V183 HydrophobicContact CD2-CG1 3.61Å; F56-V183 HydrophobicContact CE2-CG1 3.86Å; F56-V183 HydrophobicContact CE2-CG2 4.49Å; F56-L184 PolarHBondContact N-O 3.29Å; F56-I185 WeakPolarHBondContact O-CA 3.04Å; F56-S186 PolarHBondContact O-N 2.96Å
57T98.9Very high98.5Very high0 Ų036.7 Ų36.70%020%0.197CC..EExtended strand (participates in β ladder)trans-135.4166.6179.372.70000111.9V55 A67 V81 E82 S83 S84 L87 S186V55-T57 HydrophobicContact CG1-CG2 3.97Å; T57-A67 HydrophobicContact CG2-CB 3.7Å; T57-V81 HydrophobicContact CG2-CG1 3.91Å; T57-E82 PolarHBondContact N-O 3.16Å; T57-S83 VanDerWaalsContact O-CA 3.32Å; T57-S83 WeakPolarHBondContact O-CA 3.48Å; T57-S83 PolarHBondContact OG1-OG 2.77Å; T57-S84 PolarHBondContact O-N 3.5Å; T57-L87 WeakPolarHBondContact O-CD1 3.35Å; T57-S186 VanDerWaalsContact CA-O 3.31Å; T57-S186 WeakPolarHBondContact CA-O 3.43Å
58S98.9Very high98.6Very high0 Ų039.1 Ų39.10%019%0.19CC..  trans-73176.4164.588.40000111.9L60 S63 I64 S83 S84 L87 N88 H188S58-L60 VanDerWaalsContact C-N 3.3Å; S58-L60 WeakPolarHBondContact OG-CB 3.48Å; S58-L60 PolarHBondContact OG-N 3.03Å; S58-S63 WeakPolarHBondContact CB-OG 3.5Å; S58-S63 PolarHBondContact N-OG 2.99Å; S58-S63 PolarHBondContact OG-OG 2.98Å; S58-I64 WeakPolarHBondContact O-CG1 3.37Å; S58-S83 WeakPolarHBondContact O-CB 3.42Å; S58-S84 WeakPolarHBondContact CA-O 3.36Å; S58-L87 WeakPolarHBondContact CB-O 3.37Å; S58-N88 WeakPolarHBondContact CB-OD1 3.36Å; S58-H188 VanDerWaalsContact CB-NE2 3.31Å; S58-H188 WeakPolarHBondContact CB-NE2 3.33Å; S58-H188 PolarHBondContact OG-NE2 3.46Å
59V98.9Very high98.7Very high22 Ų2235.5 Ų35.513%0.13317%0.17CC..SBendtrans-85.3-0.1168.5-61.70000113.2W85 N88 R141 Y142V59-W85 HydrophobicContact CG2-CB 4.01Å; V59-N88 VanDerWaalsContact CG2-OD1 3.27Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.39Å; V59-N88 PolarHBondContact N-OD1 3.22Å; V59-N88 VanDerWaalsContact N-OD1 3.15Å; V59-R141 HydrophobicContact CG2-CG 4.24Å; V59-R141 PolarHBondContact O-NH1 2.97Å; V59-Y142 HydrophobicContact CG2-CE1 3.97Å
60L98.9Very high98.8Very high0 Ų029 Ų290%014%0.136CC..SBendtrans-82.2128.7175.5-57.3177.3000110D27 S58 R62 S63 N88 E89 Y142D27-L60 HydrophobicContact CB-CD2 4.47Å; D27-L60 VanDerWaalsContact OD1-CA 3.32Å; D27-L60 WeakPolarHBondContact OD1-CA 3.14Å; S58-L60 VanDerWaalsContact C-N 3.3Å; S58-L60 WeakPolarHBondContact OG-CB 3.48Å; S58-L60 PolarHBondContact OG-N 3.03Å; L60-R62 PolarHBondContact O-N 3.23Å; L60-S63 PolarHBondContact O-N 2.79Å; L60-S63 PolarHBondContact O-OG 3.22Å; L60-N88 HydrophobicContact CD1-CB 4.36Å; L60-E89 HydrophobicContact CD1-CB 4.44Å; L60-Y142 WeakPolarHBondContact CD2-OH 3.33Å
61N98.7Very high98.9Very high21 Ų2127.4 Ų27.411%0.11213%0.129CC..Hα-helixtrans-59.1-31-165.672.356.1000112.7D27 K29 S63 I64 H65D27-N61 PolarHBondContact O-ND2 2.72Å; D27-N61 PolarHBondContact OD1-N 2.77Å; D27-N61 PolarHBondContact OD1-ND2 3.32Å; D27-N61 VanDerWaalsContact OD1-ND2 3.1Å; D27-N61 PolarHBondContact OD2-ND2 2.95Å; K29-N61 WeakPolarHBondContact CA-OD1 3.48Å; N61-S63 VanDerWaalsContact C-N 3.33Å; N61-S63 PolarHBondContact O-N 2.9Å; N61-I64 PolarHBondContact O-N 3.11Å; N61-H65 WeakPolarHBondContact O-CB 3.15Å; N61-H65 PolarHBondContact O-CD2 2.73Å; N61-H65 PolarHBondContact O-N 2.97Å
62R98.8Very high98.9Very high5 Ų524.4 Ų24.42%0.01912%0.115CC..Hα-helixtrans-63.7-33.6179.459.6-172.5-177.2-94.90.2113.5H11 S24 V26 Q28 L30 L60 T66 H188H11-R62 WeakPolarHBondContact CE1-CD 3.32Å; H11-R62 PolarHBondContact CE1-NE 3.27Å; H11-R62 WeakPolarHBondContact NE2-CD 3.46Å; H11-R62 PolarHBondContact NE2-NE 3.18Å; S24-R62 PolarHBondContact O-NH2 3.03Å; V26-R62 PolarHBondContact O-NH1 3.28Å; Q28-R62 WeakPolarHBondContact O-CD 3.26Å; L30-R62 HydrophobicContact CD2-CB 3.95Å; L30-R62 HydrophobicContact CG-CB 4.1Å; L60-R62 PolarHBondContact O-N 3.23Å; R62-T66 WeakPolarHBondContact O-CB 3.31Å; R62-T66 PolarHBondContact O-N 2.74Å; R62-T66 VanDerWaalsContact O-N 3.12Å; R62-T66 PolarHBondContact O-OG1 3.45Å; R62-H188 PolarHBondContact NE-CE1 3.5Å
63S98.9Very high98.9Very high0 Ų026.2 Ų26.20%012%0.123CC..Hα-helixtrans-75.7-35.9174.566.80000111.8S58 L60 N61 T66 A67 S186S58-S63 WeakPolarHBondContact CB-OG 3.5Å; S58-S63 PolarHBondContact N-OG 2.99Å; S58-S63 PolarHBondContact OG-OG 2.98Å; L60-S63 PolarHBondContact O-N 2.79Å; L60-S63 PolarHBondContact O-OG 3.22Å; N61-S63 VanDerWaalsContact C-N 3.33Å; N61-S63 PolarHBondContact O-N 2.9Å; S63-T66 PolarHBondContact O-N 2.72Å; S63-A67 PolarHBondContact O-N 2.71Å; S63-A67 VanDerWaalsContact O-N 3.07Å; S63-S186 WeakPolarHBondContact CB-O 3.48Å; S63-S186 WeakPolarHBondContact O-CB 3.49Å; S63-S186 PolarHBondContact O-OG 3.1Å
64I98.9Very high98.9Very high30 Ų3023.4 Ų23.415%0.15411%0.108CC..Hα-helixtrans-64-50.9176.4-63.8169000110S58 N61 T66 A67 W68S58-I64 WeakPolarHBondContact O-CG1 3.37Å; N61-I64 PolarHBondContact O-N 3.11Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.03Å; I64-A67 WeakPolarHBondContact O-CB 3.36Å; I64-A67 PolarHBondContact O-N 3.25Å; I64-A67 VanDerWaalsContact O-N 3.1Å; I64-W68 HydrophobicContact CG2-CD2 3.9Å; I64-W68 HydrophobicContact CG2-CE3 4.36Å; I64-W68 HydrophobicContact CG2-CH2 3.85Å; I64-W68 HydrophobicContact CG2-CZ2 3.33Å; I64-W68 HydrophobicContact CG2-CZ3 4.33Å; I64-W68 PolarHBondContact O-N 2.87Å
65H98.9Very high98.9Very high73 Ų7324 Ų2434%0.33812%0.122SC..Hα-helixtrans-62.4-38.5177.7-81-70.9000112.4L30 N61 A67 W68 L69L30-H65 HydrophobicContact CD1-CB 3.99Å; N61-H65 WeakPolarHBondContact O-CB 3.15Å; N61-H65 PolarHBondContact O-CD2 2.73Å; N61-H65 PolarHBondContact O-N 2.97Å; H65-A67 VanDerWaalsContact C-N 3.33Å; H65-A67 PolarHBondContact O-N 3.4Å; H65-W68 AromaticContact CE1-CE3 3.79Å; H65-W68 AromaticContact CE1-CZ3 3.48Å; H65-W68 VanDerWaalsContact CE1-CZ3 3.48Å; H65-W68 WeakPolarHBondContact CE1-CZ3 3.41Å; H65-W68 AromaticContact ND1-CE3 3.47Å; H65-W68 AromaticContact ND1-CZ3 3.67Å; H65-W68 PolarHBondContact O-N 3.24Å; H65-L69 VanDerWaalsContact O-CG 3.26Å; H65-L69 WeakPolarHBondContact O-CG 3.31Å; H65-L69 PolarHBondContact O-N 3.09Å
66T98.9Very high98.9Very high1 Ų124.8 Ų24.81%0.00613%0.125CC..Hα-helixtrans-59.3-44.6172.4-69.80000111.5L9 H11 A38 R62 S63 I64 L69 I70L9-T66 HydrophobicContact CD1-CG2 3.56Å; H11-T66 VanDerWaalsContact CB-OG1 3.32Å; H11-T66 WeakPolarHBondContact CB-OG1 3.45Å; A38-T66 HydrophobicContact CB-CG2 3.86Å; R62-T66 WeakPolarHBondContact O-CB 3.31Å; R62-T66 PolarHBondContact O-N 2.74Å; R62-T66 VanDerWaalsContact O-N 3.12Å; R62-T66 PolarHBondContact O-OG1 3.45Å; S63-T66 PolarHBondContact O-N 2.72Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.03Å; T66-L69 PolarHBondContact O-N 2.68Å; T66-I70 HydrophobicContact CG2-CD1 3.82Å; T66-I70 VanDerWaalsContact O-CG1 3.29Å; T66-I70 WeakPolarHBondContact O-CG1 3.11Å; T66-I70 PolarHBondContact O-N 2.83Å
67A98.9Very high98.9Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-61.8-45.4176.500000112V55 T57 S63 I64 H65 L69 I70 L71V55-A67 HydrophobicContact CG1-CB 3.82Å; T57-A67 HydrophobicContact CG2-CB 3.7Å; S63-A67 PolarHBondContact O-N 2.71Å; S63-A67 VanDerWaalsContact O-N 3.07Å; I64-A67 WeakPolarHBondContact O-CB 3.36Å; I64-A67 PolarHBondContact O-N 3.25Å; I64-A67 VanDerWaalsContact O-N 3.1Å; H65-A67 VanDerWaalsContact C-N 3.33Å; H65-A67 PolarHBondContact O-N 3.4Å; A67-L69 PolarHBondContact O-N 3.04Å; A67-I70 PolarHBondContact O-N 3.05Å; A67-L71 WeakPolarHBondContact O-CG 3.43Å; A67-L71 PolarHBondContact O-N 3.07Å
68W98.9Very high98.9Very high132 Ų13239.1 Ų39.150%0.519%0.185SC..Hα-helixtrans-59.1-45.1177.8-66.1-15.5000112.8I64 H65 I70 L71 E72I64-W68 HydrophobicContact CG2-CD2 3.9Å; I64-W68 HydrophobicContact CG2-CE3 4.36Å; I64-W68 HydrophobicContact CG2-CH2 3.85Å; I64-W68 HydrophobicContact CG2-CZ2 3.33Å; I64-W68 HydrophobicContact CG2-CZ3 4.33Å; I64-W68 PolarHBondContact O-N 2.87Å; H65-W68 AromaticContact CE1-CE3 3.79Å; H65-W68 AromaticContact CE1-CZ3 3.48Å; H65-W68 VanDerWaalsContact CE1-CZ3 3.48Å; H65-W68 WeakPolarHBondContact CE1-CZ3 3.41Å; H65-W68 AromaticContact ND1-CE3 3.47Å; H65-W68 AromaticContact ND1-CZ3 3.67Å; H65-W68 PolarHBondContact O-N 3.24Å; W68-I70 VanDerWaalsContact C-N 3.32Å; W68-I70 PolarHBondContact O-N 3.44Å; W68-L71 PolarHBondContact O-N 3.46Å; W68-E72 WeakPolarHBondContact O-CB 3.15Å; W68-E72 PolarHBondContact O-N 2.85Å
69L98.9Very high98.9Very high20 Ų2039.3 Ų39.311%0.10519%0.186CC..Hα-helixtrans-64.8-36.7177.8-68168.8000112L30 M35 A38 R39 H65 T66 A67 E73L30-L69 HydrophobicContact CD1-CD1 4.26Å; M35-L69 HydrophobicContact CB-CD1 3.99Å; M35-L69 HydrophobicContact CG-CD1 4.1Å; A38-L69 HydrophobicContact CB-CB 3.87Å; A38-L69 HydrophobicContact CB-CD1 3.81Å; R39-L69 HydrophobicContact CG-CB 4.46Å; R39-L69 HydrophobicContact CG-CD2 4.39Å; R39-L69 VanDerWaalsContact CZ-CD2 3.44Å; H65-L69 VanDerWaalsContact O-CG 3.26Å; H65-L69 WeakPolarHBondContact O-CG 3.31Å; H65-L69 PolarHBondContact O-N 3.09Å; T66-L69 PolarHBondContact O-N 2.68Å; A67-L69 PolarHBondContact O-N 3.04Å; L69-E73 WeakPolarHBondContact O-CG 3.05Å; L69-E73 PolarHBondContact O-N 3.13Å
70I98.9Very high98.9Very high0 Ų041.8 Ų41.80%020%0.202CC..Hα-helixtrans-65.4-47.3174.9-72.6170.1000110.8L9 A38 C41 L45 T66 A67 W68 E72 E73 L74 L184L9-I70 HydrophobicContact CD1-CD1 4.34Å; L9-I70 HydrophobicContact CD2-CD1 3.46Å; L9-I70 VanDerWaalsContact CD2-CD1 3.46Å; A38-I70 VanDerWaalsContact O-CG1 3.3Å; A38-I70 WeakPolarHBondContact O-CG1 3.41Å; C41-I70 HydrophobicContact CB-CD1 3.83Å; C41-I70 HydrophobicContact CB-CG1 3.93Å; L45-I70 HydrophobicContact CD1-CG2 3.98Å; T66-I70 HydrophobicContact CG2-CD1 3.82Å; T66-I70 VanDerWaalsContact O-CG1 3.29Å; T66-I70 WeakPolarHBondContact O-CG1 3.11Å; T66-I70 PolarHBondContact O-N 2.83Å; A67-I70 PolarHBondContact O-N 3.05Å; W68-I70 VanDerWaalsContact C-N 3.32Å; W68-I70 PolarHBondContact O-N 3.44Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 3.3Å; I70-E73 PolarHBondContact O-N 2.91Å; I70-L74 HydrophobicContact CG2-CD1 3.66Å; I70-L74 WeakPolarHBondContact O-CD1 3.3Å; I70-L74 VanDerWaalsContact O-CG 3.28Å; I70-L74 WeakPolarHBondContact O-CG 3.12Å; I70-L74 PolarHBondContact O-N 3.43Å; I70-L74 VanDerWaalsContact O-N 3.14Å; I70-L184 HydrophobicContact CG2-CD2 3.87Å
71L98.9Very high98.9Very high3 Ų344.4 Ų44.42%0.01622%0.218CC..Hα-helixtrans-63.8-37.9179.1-68.6-179.9000112.1V55 A67 W68 L74 G75 Q76 V79 V81V55-L71 HydrophobicContact CG2-CD1 4.04Å; V55-L71 HydrophobicContact CG2-CD2 3.92Å; V55-L71 HydrophobicContact CG2-CG 4.31Å; A67-L71 WeakPolarHBondContact O-CG 3.43Å; A67-L71 PolarHBondContact O-N 3.07Å; W68-L71 PolarHBondContact O-N 3.46Å; L71-L74 CarbonylContact O-C 3.54Å; L71-L74 PolarHBondContact O-N 3.36Å; L71-G75 PolarHBondContact O-N 2.96Å; L71-Q76 HydrophobicContact CD2-CB 3.89Å; L71-Q76 PolarHBondContact O-N 2.81Å; L71-V79 HydrophobicContact CD2-CB 4.17Å; L71-V79 HydrophobicContact CD2-CG2 4.5Å; L71-V81 HydrophobicContact CD1-CG2 3.95Å
72E98.9Very high98.9Very high91 Ų9146.1 Ų46.143%0.42523%0.225SC..Hα-helixtrans-58.7-50.1174.2-178.2-176.6-161.500111.5R39 W68 I70 L74 G75R39-E72 IonicContact CZ-OE2 2.99Å; R39-E72 IonicContact NH1-OE2 3.63Å; R39-E72 PolarHBondContact NH1-OE2 3.47Å; R39-E72 IonicContact NH2-OE2 2.88Å; R39-E72 PolarHBondContact NH2-OE2 3Å; W68-E72 WeakPolarHBondContact O-CB 3.15Å; W68-E72 PolarHBondContact O-N 2.85Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 3.3Å; E72-L74 PolarHBondContact O-N 3.08Å; E72-G75 PolarHBondContact O-N 2.93Å; E72-G75 VanDerWaalsContact O-N 3.09Å
73E98.8Very high98.9Very high41 Ų4148.4 Ų48.419%0.19224%0.242CC..Hα-helixtrans-63.1-31.7179.1-65.2-70154.200112.3R39 K43 K46 L69 I70R39-E73 HydrophobicContact CB-CG 4.14Å; R39-E73 WeakPolarHBondContact CD-OE1 3.34Å; R39-E73 HydrophobicContact CG-CG 4.34Å; R39-E73 WeakPolarHBondContact CG-OE1 3.48Å; R39-E73 IonicContact CZ-OE1 2.75Å; R39-E73 IonicContact NH1-OE1 3.07Å; R39-E73 PolarHBondContact NH1-OE1 3.49Å; K43-E73 WeakPolarHBondContact CE-OE2 3.49Å; K43-E73 WeakPolarHBondContact CG-OE2 3.49Å; K46-E73 WeakPolarHBondContact CD-O 3.36Å; K46-E73 WeakPolarHBondContact CE-O 3.44Å; K46-E73 PolarHBondContact NZ-O 3.39Å; L69-E73 WeakPolarHBondContact O-CG 3.05Å; L69-E73 PolarHBondContact O-N 3.13Å; I70-E73 PolarHBondContact O-N 2.91Å
74L98.7Very high98.9Very high17 Ų1749.1 Ų49.19%0.08925%0.247CC..Hα-helixtrans-79.2-18.2177.1-69.8165.3000113.6L45 K46 F52 I70 L71 E72 Q76L45-L74 HydrophobicContact CB-CD2 4.13Å; K46-L74 HydrophobicContact CB-CD2 3.76Å; K46-L74 HydrophobicContact CG-CD2 4.38Å; F52-L74 HydrophobicContact CD2-CD1 3.75Å; F52-L74 HydrophobicContact CE2-CD1 3.63Å; I70-L74 HydrophobicContact CG2-CD1 3.66Å; I70-L74 WeakPolarHBondContact O-CD1 3.3Å; I70-L74 VanDerWaalsContact O-CG 3.28Å; I70-L74 WeakPolarHBondContact O-CG 3.12Å; I70-L74 PolarHBondContact O-N 3.43Å; I70-L74 VanDerWaalsContact O-N 3.14Å; L71-L74 CarbonylContact O-C 3.54Å; L71-L74 PolarHBondContact O-N 3.36Å; E72-L74 PolarHBondContact O-N 3.08Å; L74-Q76 VanDerWaalsContact C-N 3.34Å; L74-Q76 HydrophobicContact CB-CB 3.98Å; L74-Q76 HydrophobicContact CB-CG 3.94Å
75G98.8Very high98.9Very high43 Ų4348.4 Ų48.444%0.44324%0.242SC..THydrogen-bonded Turntrans67.235.3-168.400000112.8L71 E72 E77L71-G75 PolarHBondContact O-N 2.96Å; E72-G75 PolarHBondContact O-N 2.93Å; E72-G75 VanDerWaalsContact O-N 3.09Å; G75-E77 WeakPolarHBondContact CA-OE2 3.29Å
76Q98.9Very high98.9Very high17 Ų1746.8 Ų46.88%0.07923%0.233CC..  trans-122.327.3-172.2-74.1177.432.300112.2F50 L71 L74 W78 V79F50-Q76 PolarHBondContact O-NE2 3.42Å; L71-Q76 HydrophobicContact CD2-CB 3.89Å; L71-Q76 PolarHBondContact O-N 2.81Å; L74-Q76 VanDerWaalsContact C-N 3.34Å; L74-Q76 HydrophobicContact CB-CB 3.98Å; L74-Q76 HydrophobicContact CB-CG 3.94Å; Q76-W78 PolarHBondContact O-N 2.86Å; Q76-V79 HydrophobicContact CB-CG2 3.76Å; Q76-V79 HydrophobicContact CG-CG2 4.35Å; Q76-V79 VanDerWaalsContact O-CB 3.29Å; Q76-V79 WeakPolarHBondContact O-CB 3.43Å; Q76-V79 VanDerWaalsContact O-CG2 3.27Å; Q76-V79 WeakPolarHBondContact O-CG2 3.36Å; Q76-V79 PolarHBondContact O-N 2.86Å
77E98.8Very high98.9Very high119 Ų11946.8 Ų46.856%0.55623%0.233SC*.THydrogen-bonded Turntrans-62.1-18.5-177.9-56.295.8137.700113.5G75 V79G75-E77 WeakPolarHBondContact CA-OE2 3.29Å; E77-V79 VanDerWaalsContact C-N 3.29Å
78W98.8Very high98.9Very high187 Ų18746.8 Ų46.871%0.70823%0.233SC*.THydrogen-bonded Turntrans-76.7-13.6175.259.1-93.1000113.4Q76Q76-W78 PolarHBondContact O-N 2.86Å
79V98.9Very high98.9Very high4 Ų441 Ų412%0.02421%0.212CC..SBendtrans-64128.7179.1175.50000109.4F52 V55 L71 Q76 E77 V81F52-V79 HydrophobicContact CB-CG1 4.23Å; F52-V79 WeakPolarHBondContact O-CG2 3.48Å; V55-V79 HydrophobicContact CG2-CG1 3.98Å; L71-V79 HydrophobicContact CD2-CB 4.17Å; L71-V79 HydrophobicContact CD2-CG2 4.5Å; Q76-V79 HydrophobicContact CB-CG2 3.76Å; Q76-V79 HydrophobicContact CG-CG2 4.35Å; Q76-V79 VanDerWaalsContact O-CB 3.29Å; Q76-V79 WeakPolarHBondContact O-CB 3.43Å; Q76-V79 VanDerWaalsContact O-CG2 3.27Å; Q76-V79 WeakPolarHBondContact O-CG2 3.36Å; Q76-V79 PolarHBondContact O-N 2.86Å; E77-V79 VanDerWaalsContact C-N 3.29Å; V79-V81 PolarHBondContact O-N 2.79Å
80P98.9Very high98.9Very high73 Ų7340.2 Ų40.247%0.47421%0.208SC..  trans-61136.7-178.2-21.130.5000112.8L54 V55L54-P80 HydrophobicContact CD2-CB 3.81Å; L54-P80 HydrophobicContact CD2-CG 4.11Å; V55-P80 PolarHBondContact N-O 2.75Å
81V98.9Very high98.8Very high55 Ų5540.2 Ų40.233%0.33321%0.208SC..EExtended strand (participates in β ladder)trans-116.3128.2178.8-173.20000110.1V55 T57 L71 V79V55-V81 HydrophobicContact CB-CG1 4.4Å; V55-V81 HydrophobicContact CB-CG2 4.18Å; V55-V81 HydrophobicContact CG1-CG1 4.45Å; V55-V81 CarbonylContact O-C 3.6Å; V55-V81 WeakPolarHBondContact O-CA 3.11Å; T57-V81 HydrophobicContact CG2-CG1 3.91Å; L71-V81 HydrophobicContact CD1-CG2 3.95Å; V79-V81 PolarHBondContact O-N 2.79Å
82E98.9Very high98.8Very high58 Ų5840.7 Ų40.727%0.27121%0.209SC..EExtended strand (participates in β ladder)trans-116.6129.2173.7-169.9173.2138.900110.6V55 F56 T57 Y168 R172V55-E82 PolarHBondContact O-N 3.45Å; F56-E82 CarbonylContact C-O 3.51Å; F56-E82 WeakPolarHBondContact CA-O 3.29Å; F56-E82 HydrophobicContact CD1-CB 3.9Å; F56-E82 HydrophobicContact CD1-CG 4.41Å; F56-E82 HydrophobicContact CE1-CB 4.04Å; F56-E82 HydrophobicContact CE1-CG 4.42Å; T57-E82 PolarHBondContact N-O 3.16Å; E82-Y168 WeakPolarHBondContact CG-OH 3.43Å; E82-Y168 PolarHBondContact OE1-OH 2.97Å; E82-Y168 VanDerWaalsContact OE1-OH 3.1Å; E82-R172 VanDerWaalsContact CD-NH2 3.29Å; E82-R172 IonicContact OE1-CZ 3.3Å; E82-R172 IonicContact OE1-NE 3.17Å; E82-R172 PolarHBondContact OE1-NE 3.03Å; E82-R172 IonicContact OE1-NH2 3.44Å; E82-R172 PolarHBondContact OE1-NH2 3.41Å; E82-R172 IonicContact OE2-CZ 2.72Å; E82-R172 IonicContact OE2-NE 2.68Å; E82-R172 IonicContact OE2-NH2 3.6Å; E82-R172 PolarHBondContact OE2-NH2 3.13Å
83S98.9Very high98.8Very high53 Ų5336.4 Ų36.437%0.37119%0.189SC..EExtended strand (participates in β ladder)trans-113.7133.6179.4-620000111.3T57 S58T57-S83 VanDerWaalsContact O-CA 3.32Å; T57-S83 WeakPolarHBondContact O-CA 3.48Å; T57-S83 PolarHBondContact OG1-OG 2.77Å; S58-S83 WeakPolarHBondContact O-CB 3.42Å
84S98.9Very high98.7Very high15 Ų1536 Ų3611%0.10519%0.193CC..  trans-141.9141.2178.1176.60000112.8T57 S58 R86 L87 Y168T57-S84 PolarHBondContact O-N 3.5Å; S58-S84 WeakPolarHBondContact CA-O 3.36Å; S84-R86 PolarHBondContact O-N 3.25Å; S84-R86 PolarHBondContact OG-N 3.06Å; S84-L87 PolarHBondContact O-N 3.22Å; S84-Y168 WeakPolarHBondContact CB-OH 3.45Å; S84-Y168 WeakPolarHBondContact OG-CE2 3.46Å
85W98.9Very high98.7Very high14 Ų1435.7 Ų35.75%0.05319%0.191CC..G310 helixtrans-62.6-23175.880.2-86.4000112W25 V59 L87 N88 Y142 C145 D146 V147 L152 P153 R164W25-W85 AromaticContact CH2-CE3 3.64Å; W25-W85 HydrophobicContact CH2-CE3 3.64Å; W25-W85 HydrophobicContact CH2-CZ3 4.01Å; W25-W85 AromaticContact CZ2-CE3 3.92Å; W25-W85 HydrophobicContact CZ2-CE3 3.92Å; W25-W85 HydrophobicContact CZ2-CZ3 4.22Å; V59-W85 HydrophobicContact CG2-CB 4.01Å; W85-L87 PolarHBondContact O-N 2.88Å; W85-L87 VanDerWaalsContact O-N 3.11Å; W85-N88 WeakPolarHBondContact O-CB 3.35Å; W85-N88 PolarHBondContact O-N 3.41Å; W85-Y142 HydrophobicContact CB-CE1 4.43Å; W85-C145 HydrophobicContact CG-CB 4.41Å; W85-D146 PolarHBondContact NE1-OD1 3.18Å; W85-V147 HydrophobicContact CH2-CG2 4.29Å; W85-V147 HydrophobicContact CZ2-CB 4.47Å; W85-V147 HydrophobicContact CZ2-CG1 4.08Å; W85-V147 HydrophobicContact CZ2-CG2 3.52Å; W85-L152 HydrophobicContact CD2-CD2 3.68Å; W85-L152 HydrophobicContact CE3-CD2 3.7Å; W85-L152 HydrophobicContact CG-CD2 4.31Å; W85-L152 HydrophobicContact CH2-CD2 4.02Å; W85-L152 HydrophobicContact CZ2-CD2 4.02Å; W85-L152 HydrophobicContact CZ3-CD2 3.87Å; W85-P153 HydrophobicContact CZ3-CG 4.28Å; W85-R164 HydrophobicContact CH2-CB 3.93Å; W85-R164 HydrophobicContact CH2-CG 4.26Å; W85-R164 HydrophobicContact CZ3-CB 4.34Å; W85-R164 HydrophobicContact CZ3-CG 4.17Å
86R98.9Very high98.7Very high39 Ų3933.7 Ų33.715%0.14717%0.17CC..G310 helixtrans-65.4-10.5174.5-63.9-177.5179-84.21.2113.4S84 D146 R164 L165 Y168S84-R86 PolarHBondContact O-N 3.25Å; S84-R86 PolarHBondContact OG-N 3.06Å; R86-D146 IonicContact CZ-OD2 2.73Å; R86-D146 IonicContact NE-OD1 3.22Å; R86-D146 IonicContact NE-OD2 2.81Å; R86-D146 PolarHBondContact NE-OD2 2.9Å; R86-D146 IonicContact NH2-OD1 3.23Å; R86-D146 IonicContact NH2-OD2 3.88Å; R86-D146 PolarHBondContact NH2-OD2 3.23Å; R86-R164 VanDerWaalsContact C-NH1 3.31Å; R86-R164 VanDerWaalsContact CD-O 3.29Å; R86-R164 WeakPolarHBondContact CD-O 3.37Å; R86-R164 WeakPolarHBondContact CG-O 3.27Å; R86-R164 PolarHBondContact NH1-O 3.24Å; R86-R164 PolarHBondContact O-NH1 3.06Å; R86-L165 WeakPolarHBondContact O-CB 3.48Å; R86-L165 WeakPolarHBondContact O-CG 3.32Å; R86-Y168 HydrophobicContact CB-CD2 4.5Å; R86-Y168 HydrophobicContact CB-CG 4.04Å
87L98.9Very high98.6Very high2 Ų233.2 Ų33.21%0.0117%0.171CC..G310 helixtrans-102.1-1.4169.6-72.4177.9000113.9F56 T57 S58 S84 W85 L165 Y168 I173 I185 H188 S191F56-L87 HydrophobicContact CB-CD1 3.81Å; T57-L87 WeakPolarHBondContact O-CD1 3.35Å; S58-L87 WeakPolarHBondContact CB-O 3.37Å; S84-L87 PolarHBondContact O-N 3.22Å; W85-L87 PolarHBondContact O-N 2.88Å; W85-L87 VanDerWaalsContact O-N 3.11Å; L87-L165 HydrophobicContact CD2-CD1 4.03Å; L87-L165 HydrophobicContact CD2-CG 4.23Å; L87-Y168 HydrophobicContact CD1-CD1 4.17Å; L87-Y168 HydrophobicContact CD1-CE1 3.69Å; L87-Y168 HydrophobicContact CD2-CD1 4.42Å; L87-Y168 HydrophobicContact CG-CD1 3.93Å; L87-Y168 HydrophobicContact CG-CE1 3.92Å; L87-I173 HydrophobicContact CD1-CD1 4.47Å; L87-I185 HydrophobicContact CD1-CG2 4.36Å; L87-I185 HydrophobicContact CD2-CG2 4.36Å; L87-H188 PolarHBondContact O-CD2 3.43Å; L87-S191 PolarHBondContact O-OG 2.82Å; L87-S191 VanDerWaalsContact O-OG 3.08Å
88N98.9Very high98.5Very high0 Ų030.7 Ų30.70%016%0.161CC..SBendtrans-54.3155.6176.5-78.16.2000111.8W25 S58 V59 L60 W85 Y142 R164 S191W25-N88 HydrophobicContact CZ2-CB 4.25Å; S58-N88 WeakPolarHBondContact CB-OD1 3.36Å; V59-N88 VanDerWaalsContact CG2-OD1 3.27Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.39Å; V59-N88 PolarHBondContact N-OD1 3.22Å; V59-N88 VanDerWaalsContact N-OD1 3.15Å; L60-N88 HydrophobicContact CD1-CB 4.36Å; W85-N88 WeakPolarHBondContact O-CB 3.35Å; W85-N88 PolarHBondContact O-N 3.41Å; N88-Y142 PolarHBondContact ND2-OH 3.17Å; N88-R164 PolarHBondContact O-NH1 3.44Å; N88-R164 PolarHBondContact O-NH2 3.44Å; N88-S191 VanDerWaalsContact O-CB 3.31Å; N88-S191 WeakPolarHBondContact O-CB 3.5Å; N88-S191 PolarHBondContact O-OG 2.95Å
89E98.8Very high98.3Very high10 Ų1024.3 Ų24.35%0.04714%0.14CC..PPolyproline II helixtrans-55.2158.5169-174.555.8-69.800110.6W25 L60 H91 R164 H188 G189 N190W25-E89 VanDerWaalsContact CD1-O 3.28Å; W25-E89 PolarHBondContact NE1-O 3.24Å; L60-E89 HydrophobicContact CD1-CB 4.44Å; E89-H91 PolarHBondContact O-N 3.36Å; E89-R164 PolarHBondContact O-NH2 2.99Å; E89-H188 HydrophobicContact CB-CB 3.66Å; E89-H188 VanDerWaalsContact CD-CB 3.42Å; E89-H188 HydrophobicContact CG-CB 4.03Å; E89-H188 PolarHBondContact N-CD2 2.97Å; E89-H188 WeakPolarHBondContact OE2-CB 3.46Å; E89-G189 PolarHBondContact OE2-N 3.47Å; E89-G189 VanDerWaalsContact OE2-N 3.07Å; E89-N190 WeakPolarHBondContact OE1-CA 3.44Å; E89-N190 WeakPolarHBondContact OE1-CB 3.33Å; E89-N190 PolarHBondContact OE1-N 2.98Å
90R98.7Very high98Very high4 Ų424.7 Ų24.72%0.01514%0.141CC..PPolyproline II helixtrans-53.6132.7170.5179.2-179.6175.9-11819.8111.4S24 Y92 W115 I121 P123 E156 V161 N190S24-R90 PolarHBondContact OG-O 2.98Å; R90-Y92 PolarHBondContact O-N 3.21Å; R90-W115 PolarHBondContact NH1-O 2.88Å; R90-W115 PolarHBondContact NH2-O 2.92Å; R90-I121 PolarHBondContact NH2-O 2.87Å; R90-P123 VanDerWaalsContact CZ-CG 3.42Å; R90-E156 HydrophobicContact CG-CB 4.07Å; R90-E156 WeakPolarHBondContact CG-O 3.28Å; R90-E156 PolarHBondContact NE-O 3.03Å; R90-E156 PolarHBondContact NH2-O 3.38Å; R90-V161 HydrophobicContact CB-CG2 3.72Å; R90-V161 HydrophobicContact CG-CG2 3.81Å; R90-N190 HydrophobicContact CB-CB 3.72Å
91H98.8Very high97.5Very high0 Ų023.1 Ų23.10%013%0.128CC..  trans-70.7107171.7-157.9-65.3000110.7S24 W25 E89 G93 Y137 P153 R154 S155 E156S24-H91 VanDerWaalsContact OG-CA 3.27Å; S24-H91 WeakPolarHBondContact OG-CA 3.46Å; W25-H91 AromaticContact CD1-CD2 3.9Å; W25-H91 AromaticContact CD2-CD2 3.39Å; W25-H91 AromaticContact CE2-CD2 3.73Å; W25-H91 AromaticContact CE3-CD2 3.74Å; W25-H91 AromaticContact CG-CD2 3.53Å; W25-H91 AromaticContact NE1-CD2 4Å; E89-H91 PolarHBondContact O-N 3.36Å; H91-G93 WeakPolarHBondContact ND1-CA 3.33Å; H91-G93 PolarHBondContact ND1-N 2.9Å; H91-G93 PolarHBondContact O-N 3.22Å; H91-Y137 AromaticContact NE2-CZ 3.99Å; H91-Y137 PolarHBondContact NE2-OH 2.89Å; H91-Y137 VanDerWaalsContact NE2-OH 3.15Å; H91-P153 HydrophobicContact CB-CG 4.47Å; H91-P153 PolarHBondContact CD2-O 2.63Å; H91-R154 PolarHBondContact CE1-O 2.7Å; H91-R154 PolarHBondContact ND1-O 3.45Å; H91-S155 WeakPolarHBondContact O-CA 3.4Å; H91-E156 HydrophobicContact CB-CB 4.21Å; H91-E156 HydrophobicContact CB-CG 3.81Å; H91-E156 WeakPolarHBondContact CB-OE2 3.49Å; H91-E156 PolarHBondContact N-OE2 3.03Å; H91-E156 PolarHBondContact O-N 2.67Å
92Y98.5Very high97.1Very high13 Ų1324.9 Ų24.95%0.05113%0.132CC..  trans-80.7-3.2-177.7-89.9-80.5000113.6F22 S24 R90 A94 L95 P123 N190F22-Y92 HydrophobicContact CB-CG 4.42Å; F22-Y92 AromaticContact CD1-CD1 3.57Å; F22-Y92 HydrophobicContact CD1-CD1 3.57Å; F22-Y92 HydrophobicContact CD1-CD2 4.05Å; F22-Y92 AromaticContact CD1-CE1 3.45Å; F22-Y92 HydrophobicContact CD1-CE1 3.45Å; F22-Y92 VanDerWaalsContact CD1-CE1 3.45Å; F22-Y92 AromaticContact CD1-CE2 3.95Å; F22-Y92 HydrophobicContact CD1-CE2 3.95Å; F22-Y92 AromaticContact CD1-CG 3.86Å; F22-Y92 HydrophobicContact CD1-CG 3.86Å; F22-Y92 AromaticContact CD1-CZ 3.65Å; F22-Y92 AromaticContact CE1-CD1 3.78Å; F22-Y92 HydrophobicContact CE1-CD1 3.78Å; F22-Y92 AromaticContact CE1-CE1 3.31Å; F22-Y92 HydrophobicContact CE1-CE1 3.31Å; F22-Y92 HydrophobicContact CE1-CE2 4.46Å; F22-Y92 AromaticContact CE1-CZ 3.71Å; F22-Y92 HydrophobicContact CG-CD1 4.3Å; F22-Y92 HydrophobicContact CG-CG 4.4Å; F22-Y92 HydrophobicContact CZ-CE1 4.32Å; S24-Y92 PolarHBondContact OG-N 2.74Å; R90-Y92 PolarHBondContact O-N 3.21Å; Y92-A94 PolarHBondContact O-N 3.42Å; Y92-L95 HydrophobicContact CD1-CB 4.47Å; Y92-L95 HydrophobicContact CD1-CD1 4.27Å; Y92-L95 WeakPolarHBondContact O-CB 3.1Å; Y92-L95 PolarHBondContact O-N 2.66Å; Y92-L95 VanDerWaalsContact O-N 3.17Å; Y92-P123 HydrophobicContact CD1-CG 4.47Å; Y92-P123 VanDerWaalsContact O-CB 3.26Å; Y92-P123 WeakPolarHBondContact O-CB 3.46Å; Y92-N190 PolarHBondContact OH-ND2 2.75Å
93G98.4Very high96.7Very high0 Ų022.8 Ų22.80%012%0.122CC..G310 helixtrans61.8-133175.400000112.4H91 L95 I96 P124 R154H91-G93 WeakPolarHBondContact ND1-CA 3.33Å; H91-G93 PolarHBondContact ND1-N 2.9Å; H91-G93 PolarHBondContact O-N 3.22Å; G93-L95 PolarHBondContact O-N 3.18Å; G93-L95 VanDerWaalsContact O-N 3.1Å; G93-I96 VanDerWaalsContact O-CB 3.31Å; G93-I96 WeakPolarHBondContact O-CB 3.5Å; G93-I96 WeakPolarHBondContact O-CD1 3.27Å; G93-I96 WeakPolarHBondContact O-CG1 3.14Å; G93-I96 PolarHBondContact O-N 2.68Å; G93-I96 VanDerWaalsContact O-N 3.09Å; G93-P124 CarbonylContact C-O 3.58Å; G93-P124 VanDerWaalsContact CA-O 3.32Å; G93-P124 WeakPolarHBondContact CA-O 3.5Å; G93-R154 WeakPolarHBondContact CA-O 3.34Å
94A97.6Very high96.2Very high34 Ų3420.4 Ų20.428%0.28111%0.106SC..G310 helixtrans-65.2-1117900000114.1Y92 I96 P124Y92-A94 PolarHBondContact O-N 3.42Å; A94-I96 PolarHBondContact O-N 3.15Å; A94-P124 HydrophobicContact CB-CB 4.1Å; A94-P124 PolarHBondContact N-O 3.43Å
95L97.1Very high95.6Very high9 Ų924.6 Ų24.65%0.04713%0.127CC..G310 helixtrans-76.9-12.1174.3-58.5-179.6000112.6F22 Y92 G93 G97 L98 W115 P123F22-L95 VanDerWaalsContact CB-O 3.32Å; F22-L95 WeakPolarHBondContact CB-O 3.46Å; F22-L95 HydrophobicContact CD2-CB 4.13Å; F22-L95 WeakPolarHBondContact CD2-O 3.44Å; F22-L95 HydrophobicContact CE2-CB 4.43Å; F22-L95 HydrophobicContact CG-CB 4.47Å; Y92-L95 HydrophobicContact CD1-CB 4.47Å; Y92-L95 HydrophobicContact CD1-CD1 4.27Å; Y92-L95 WeakPolarHBondContact O-CB 3.1Å; Y92-L95 PolarHBondContact O-N 2.66Å; Y92-L95 VanDerWaalsContact O-N 3.17Å; G93-L95 PolarHBondContact O-N 3.18Å; G93-L95 VanDerWaalsContact O-N 3.1Å; L95-G97 PolarHBondContact O-N 2.89Å; L95-L98 HydrophobicContact CD2-CD1 4.07Å; L95-L98 WeakPolarHBondContact O-CB 3.34Å; L95-L98 PolarHBondContact O-N 2.98Å; L95-W115 HydrophobicContact CD1-CB 4.1Å; L95-W115 HydrophobicContact CD1-CD2 4.03Å; L95-W115 HydrophobicContact CD1-CE3 4.19Å; L95-W115 HydrophobicContact CD1-CG 4.02Å; L95-P123 HydrophobicContact CD1-CB 4.03Å; L95-P123 HydrophobicContact CG-CB 4.34Å
96I98.4Very high95.1Very high1 Ų128.2 Ų28.21%0.00515%0.147CC..THydrogen-bonded Turntrans-57.2130.4-179.3-69.7174.9000110.3W16 V26 G93 A94 L98 I126 H130 Y132 I136W16-I96 HydrophobicContact CZ3-CG2 4.45Å; V26-I96 HydrophobicContact CG2-CG2 3.45Å; V26-I96 VanDerWaalsContact CG2-CG2 3.45Å; G93-I96 VanDerWaalsContact O-CB 3.31Å; G93-I96 WeakPolarHBondContact O-CB 3.5Å; G93-I96 WeakPolarHBondContact O-CD1 3.27Å; G93-I96 WeakPolarHBondContact O-CG1 3.14Å; G93-I96 PolarHBondContact O-N 2.68Å; G93-I96 VanDerWaalsContact O-N 3.09Å; A94-I96 PolarHBondContact O-N 3.15Å; I96-L98 PolarHBondContact O-N 2.84Å; I96-I126 HydrophobicContact CD1-CD1 4.47Å; I96-H130 PolarHBondContact O-CE1 2.88Å; I96-H130 VanDerWaalsContact O-CE1 3.25Å; I96-H130 PolarHBondContact O-NE2 3.18Å; I96-H130 VanDerWaalsContact O-NE2 3.17Å; I96-Y132 HydrophobicContact CG2-CD2 4.18Å; I96-Y132 HydrophobicContact CG2-CG 4.34Å; I96-I136 HydrophobicContact CD1-CD1 4Å
97G97.3Very high94.6Very high8 Ų831.2 Ų31.28%0.08216%0.163CC..THydrogen-bonded Turntrans77.6-7.3-178.400000114.9W16 R21 F22 L95W16-G97 VanDerWaalsContact CZ3-CA 3.46Å; R21-G97 VanDerWaalsContact CZ-O 3.26Å; R21-G97 PolarHBondContact NE-O 3.45Å; R21-G97 VanDerWaalsContact NH2-CA 3.31Å; R21-G97 PolarHBondContact NH2-O 2.83Å; F22-G97 PolarHBondContact O-N 3.3Å; L95-G97 PolarHBondContact O-N 2.89Å
98L96.4Very high94.1Very high66 Ų6632.6 Ų32.635%0.34618%0.178SC..  trans-76.5145.9173.3-56.1-175000111R21 F22 L95 I96 M103R21-L98 VanDerWaalsContact CA-O 3.27Å; R21-L98 WeakPolarHBondContact CA-O 3.29Å; F22-L98 HydrophobicContact CD2-CB 4.5Å; F22-L98 WeakPolarHBondContact CD2-O 3.49Å; F22-L98 PolarHBondContact N-O 2.88Å; L95-L98 HydrophobicContact CD2-CD1 4.07Å; L95-L98 WeakPolarHBondContact O-CB 3.34Å; L95-L98 PolarHBondContact O-N 2.98Å; I96-L98 PolarHBondContact O-N 2.84Å; L98-M103 HydrophobicContact CB-CE 4.37Å; L98-M103 HydrophobicContact CB-CG 4.15Å; L98-M103 HydrophobicContact CB-SD 4.24Å; L98-M103 HydrophobicContact CD1-CE 4.08Å; L98-M103 HydrophobicContact CD1-CG 4.47Å; L98-M103 HydrophobicContact CD1-SD 3.6Å
99N95.9Very high93.7Very high53 Ų5336.8 Ų36.828%0.28320%0.197SC..BIsolated β-bridgetrans-78.1131.5175-179.4-72.4000110.4E19 N20 E101 Q102 M103E19-N99 PolarHBondContact O-ND2 2.64Å; N20-N99 CarbonylContact O-C 3.56Å; N20-N99 WeakPolarHBondContact O-CA 3.48Å; N99-E101 WeakPolarHBondContact OD1-CA 3.41Å; N99-E101 WeakPolarHBondContact OD1-CB 3.03Å; N99-E101 PolarHBondContact OD1-N 2.8Å; N99-Q102 HydrophobicContact CB-CB 4.03Å; N99-Q102 PolarHBondContact O-N 3.42Å; N99-Q102 PolarHBondContact OD1-N 2.78Å; N99-M103 WeakPolarHBondContact O-CG 3.22Å; N99-M103 PolarHBondContact O-N 3.38Å
100R91.3Very high93.3Very high12 Ų1243.6 Ų43.65%0.04523%0.229CC..Hα-helixtrans-68.2-38.3-174.1-55.3-172.5-177775.7113.1N20 R21 F22 M103 A104 Q251N20-R100 WeakPolarHBondContact O-CG 3.19Å; N20-R100 PolarHBondContact O-N 2.89Å; N20-R100 WeakPolarHBondContact OD1-CB 3.45Å; N20-R100 WeakPolarHBondContact OD1-CD 3.37Å; N20-R100 WeakPolarHBondContact OD1-CG 3.25Å; N20-R100 PolarHBondContact OD1-NH1 3.23Å; R21-R100 VanDerWaalsContact O-CZ 3.25Å; R21-R100 PolarHBondContact O-NH1 3.45Å; R21-R100 PolarHBondContact O-NH2 3.36Å; F22-R100 HydrophobicContact CD1-CG 4.34Å; F22-R100 HydrophobicContact CD2-CG 3.99Å; F22-R100 HydrophobicContact CE1-CG 4.02Å; F22-R100 HydrophobicContact CE2-CB 4.3Å; F22-R100 HydrophobicContact CE2-CG 3.64Å; F22-R100 HydrophobicContact CG-CG 4.33Å; F22-R100 HydrophobicContact CZ-CB 4.37Å; F22-R100 HydrophobicContact CZ-CG 3.66Å; R100-M103 PolarHBondContact O-N 2.78Å; R100-A104 PolarHBondContact O-N 3.5Å; R100-Q251 WeakPolarHBondContact CB-O 3.27Å
101E89.6Confident92.8Very high40 Ų4046.7 Ų46.719%0.18724%0.244CC..Hα-helixtrans-66.9-41.3176.9-176.8172.9-170.300110.1N99 M103 A104 L105 K255N99-E101 WeakPolarHBondContact OD1-CA 3.41Å; N99-E101 WeakPolarHBondContact OD1-CB 3.03Å; N99-E101 PolarHBondContact OD1-N 2.8Å; E101-M103 VanDerWaalsContact C-N 3.32Å; E101-M103 PolarHBondContact O-N 3.07Å; E101-A104 WeakPolarHBondContact O-CB 3.48Å; E101-A104 PolarHBondContact O-N 3.08Å; E101-A104 VanDerWaalsContact O-N 3.09Å; E101-L105 PolarHBondContact O-N 2.89Å; E101-K255 WeakPolarHBondContact OE1-CB 3.46Å; E101-K255 WeakPolarHBondContact OE1-CD 3.39Å; E101-K255 VanDerWaalsContact OE1-CG 3.27Å; E101-K255 WeakPolarHBondContact OE1-CG 3.27Å; E101-K255 PolarHBondContact OE1-N 3.2Å; E101-K255 IonicContact OE2-NZ 2.77Å
102Q89.8Confident92.4Very high91 Ų9146.7 Ų46.743%0.42524%0.244SC..Hα-helixtrans-62.1-38.8173.1-171.262.456.700112.4N99 A104 L105 N106N99-Q102 HydrophobicContact CB-CB 4.03Å; N99-Q102 PolarHBondContact O-N 3.42Å; N99-Q102 PolarHBondContact OD1-N 2.78Å; Q102-A104 VanDerWaalsContact C-N 3.29Å; Q102-A104 PolarHBondContact O-N 3.18Å; Q102-L105 PolarHBondContact O-N 2.94Å; Q102-N106 PolarHBondContact NE2-OD1 3.04Å; Q102-N106 WeakPolarHBondContact O-CB 3.16Å; Q102-N106 PolarHBondContact O-N 3.05Å; Q102-N106 PolarHBondContact O-OD1 2.9Å
103M91.1Very high92Very high14 Ų1452.2 Ų52.27%0.06926%0.264CS..Hα-helixtrans-65.8-34.2174-66.8-59.194.900112F22 L98 N99 R100 E101 N106 H107 V112F22-M103 HydrophobicContact CE2-CG 4.36Å; L98-M103 HydrophobicContact CB-CE 4.37Å; L98-M103 HydrophobicContact CB-CG 4.15Å; L98-M103 HydrophobicContact CB-SD 4.24Å; L98-M103 HydrophobicContact CD1-CE 4.08Å; L98-M103 HydrophobicContact CD1-CG 4.47Å; L98-M103 HydrophobicContact CD1-SD 3.6Å; N99-M103 WeakPolarHBondContact O-CG 3.22Å; N99-M103 PolarHBondContact O-N 3.38Å; R100-M103 PolarHBondContact O-N 2.78Å; E101-M103 VanDerWaalsContact C-N 3.32Å; E101-M103 PolarHBondContact O-N 3.07Å; M103-N106 PolarHBondContact O-N 3.41Å; M103-H107 WeakPolarHBondContact O-CB 3.42Å; M103-H107 PolarHBondContact O-N 2.72Å; M103-V112 VanDerWaalsContact C-CG2 3.47Å; M103-V112 HydrophobicContact CB-CG2 3.73Å
104A89.3Confident91.7Very high4 Ų454.7 Ų54.73%0.03328%0.277CS..Hα-helixtrans-68.6-36.7176.100000111.4R100 E101 Q102 G108 E109 V112 G252 V254R100-A104 PolarHBondContact O-N 3.5Å; E101-A104 WeakPolarHBondContact O-CB 3.48Å; E101-A104 PolarHBondContact O-N 3.08Å; E101-A104 VanDerWaalsContact O-N 3.09Å; Q102-A104 VanDerWaalsContact C-N 3.29Å; Q102-A104 PolarHBondContact O-N 3.18Å; A104-G108 CarbonylContact O-C 3.42Å; A104-G108 WeakPolarHBondContact O-CA 3.36Å; A104-G108 PolarHBondContact O-N 3.07Å; A104-E109 HydrophobicContact CB-CG 4.22Å; A104-V112 HydrophobicContact CB-CG2 4.13Å; A104-G252 WeakPolarHBondContact CB-O 3.32Å; A104-V254 HydrophobicContact CB-CG2 3.99Å
105L85.9Confident91.4Very high102 Ų10254.5 Ų54.553%0.53427%0.27SS..Hα-helixtrans-64.9-41.8172-70.9171.1000112.4E101 Q102 V254E101-L105 PolarHBondContact O-N 2.89Å; Q102-L105 PolarHBondContact O-N 2.94Å; L105-V254 HydrophobicContact CD2-CB 4.37Å; L105-V254 HydrophobicContact CD2-CG1 3.58Å; L105-V254 HydrophobicContact CD2-CG2 3.81Å; L105-V254 HydrophobicContact CG-CG1 4.42Å; L105-V254 HydrophobicContact CG-CG2 4.15Å
106N87.3Confident91.1Very high91 Ų9154.8 Ų54.849%0.48727%0.27SS..Hα-helixtrans-80.4-33.8-174.6-67.1-0.4000113.5Q102 M103Q102-N106 PolarHBondContact NE2-OD1 3.04Å; Q102-N106 WeakPolarHBondContact O-CB 3.16Å; Q102-N106 PolarHBondContact O-N 3.05Å; Q102-N106 PolarHBondContact O-OD1 2.9Å; M103-N106 PolarHBondContact O-N 3.41Å
107H88Confident90.7Very high101 Ų10155.8 Ų55.847%0.46827%0.274SS..Hα-helixtrans-125.4-3.1-168.8-56.2-68.2000113.9M103 Q111 W115M103-H107 WeakPolarHBondContact O-CB 3.42Å; M103-H107 PolarHBondContact O-N 2.72Å; H107-Q111 HydrophobicContact CB-CB 4.28Å; H107-Q111 HydrophobicContact CB-CG 4.21Å; H107-Q111 VanDerWaalsContact O-CB 3.28Å; H107-Q111 WeakPolarHBondContact O-CB 3.42Å; H107-W115 HydrophobicContact CB-CH2 3.91Å; H107-W115 HydrophobicContact CB-CZ3 3.92Å; H107-W115 AromaticContact CD2-CH2 3.81Å; H107-W115 AromaticContact CD2-CZ3 3.84Å; H107-W115 AromaticContact CG-CH2 3.69Å; H107-W115 AromaticContact CG-CZ3 3.95Å
108G88.5Confident90.6Very high32 Ų3256.4 Ų56.433%0.3328%0.276SS..  trans86.4149.4-175.800000113.6A104 E110 Q111 V112A104-G108 CarbonylContact O-C 3.42Å; A104-G108 WeakPolarHBondContact O-CA 3.36Å; A104-G108 PolarHBondContact O-N 3.07Å; G108-E110 VanDerWaalsContact C-N 3.29Å; G108-E110 PolarHBondContact O-N 3.33Å; G108-Q111 PolarHBondContact O-N 3.18Å; G108-V112 PolarHBondContact O-N 2.87Å
109E90.3Very high90.6Very high87 Ų8754.4 Ų54.441%0.40727%0.265SS..Hα-helixtrans-61.5-35.9179.8-64.1-171.4175.500112.6A104 V112 R113 K253 V254A104-E109 HydrophobicContact CB-CG 4.22Å; E109-V112 PolarHBondContact O-N 2.86Å; E109-R113 WeakPolarHBondContact O-CB 3.04Å; E109-R113 PolarHBondContact O-N 3.09Å; E109-K253 WeakPolarHBondContact OE1-CA 3.43Å; E109-V254 HydrophobicContact CG-CG2 4.32Å; E109-V254 PolarHBondContact OE1-N 2.77Å
110E90.9Very high90.6Very high154 Ų15456 Ų5672%0.7227%0.273SS*.Hα-helixtrans-62.7-47.1179.2-175175.8-171.400111.5G108 V112 R113 L114G108-E110 VanDerWaalsContact C-N 3.29Å; G108-E110 PolarHBondContact O-N 3.33Å; E110-V112 VanDerWaalsContact C-N 3.34Å; E110-V112 PolarHBondContact O-N 3.07Å; E110-R113 WeakPolarHBondContact O-CB 3.31Å; E110-R113 PolarHBondContact O-N 3.36Å; E110-L114 WeakPolarHBondContact O-CG 3.37Å; E110-L114 PolarHBondContact O-N 2.95Å
111Q89.6Confident90.9Very high68 Ų6858.4 Ų58.432%0.31829%0.286SS..Hα-helixtrans-63.8-40.6178.2-173.358.356.600111.5H107 G108 L114 W115H107-Q111 HydrophobicContact CB-CB 4.28Å; H107-Q111 HydrophobicContact CB-CG 4.21Å; H107-Q111 VanDerWaalsContact O-CB 3.28Å; H107-Q111 WeakPolarHBondContact O-CB 3.42Å; G108-Q111 PolarHBondContact O-N 3.18Å; Q111-L114 PolarHBondContact O-N 2.91Å; Q111-W115 HydrophobicContact CG-CD2 4.05Å; Q111-W115 HydrophobicContact CG-CE3 4.03Å; Q111-W115 HydrophobicContact CG-CH2 3.59Å; Q111-W115 HydrophobicContact CG-CZ2 3.61Å; Q111-W115 HydrophobicContact CG-CZ3 3.81Å; Q111-W115 VanDerWaalsContact NE2-CE2 3.25Å; Q111-W115 VanDerWaalsContact NE2-NE1 3.18Å; Q111-W115 PolarHBondContact O-N 3.4Å
112V89.6Confident91.2Very high0 Ų059.7 Ų59.70%030%0.297CS..Hα-helixtrans-65.5-39.3174.8173.10000111.5M103 A104 G108 E109 E110 W115 R116M103-V112 VanDerWaalsContact C-CG2 3.47Å; M103-V112 HydrophobicContact CB-CG2 3.73Å; A104-V112 HydrophobicContact CB-CG2 4.13Å; G108-V112 PolarHBondContact O-N 2.87Å; E109-V112 PolarHBondContact O-N 2.86Å; E110-V112 VanDerWaalsContact C-N 3.34Å; E110-V112 PolarHBondContact O-N 3.07Å; V112-W115 HydrophobicContact CG2-CE3 4.25Å; V112-W115 HydrophobicContact CG2-CZ3 4.36Å; V112-W115 PolarHBondContact O-N 3.2Å; V112-R116 HydrophobicContact CG1-CG 4.19Å; V112-R116 VanDerWaalsContact O-CB 3.25Å; V112-R116 WeakPolarHBondContact O-CB 3.49Å; V112-R116 WeakPolarHBondContact O-CG 3.5Å; V112-R116 PolarHBondContact O-N 2.92Å
113R90.6Very high91.5Very high129 Ų12955.6 Ų55.649%0.48728%0.278SS..Hα-helixtrans-61.5-45.9174.3-174.8179.5177.6-151.2-0.7110.7E109 E110 R116 R117 N209E109-R113 WeakPolarHBondContact O-CB 3.04Å; E109-R113 PolarHBondContact O-N 3.09Å; E110-R113 WeakPolarHBondContact O-CB 3.31Å; E110-R113 PolarHBondContact O-N 3.36Å; R113-R116 PolarHBondContact O-N 2.96Å; R113-R117 WeakPolarHBondContact O-CB 3.27Å; R113-R117 PolarHBondContact O-N 2.84Å; R113-N209 PolarHBondContact NH2-OD1 2.82Å
114L90.8Very high91.7Very high52 Ų5257.9 Ų57.927%0.27229%0.294SS..Hα-helixtrans-58.7-51.5175.5-71.2174.9000111.2E110 Q111 R116 R117 S118 I208E110-L114 WeakPolarHBondContact O-CG 3.37Å; E110-L114 PolarHBondContact O-N 2.95Å; Q111-L114 PolarHBondContact O-N 2.91Å; L114-R116 PolarHBondContact O-N 3.44Å; L114-R117 PolarHBondContact O-N 2.92Å; L114-S118 WeakPolarHBondContact O-CB 3.14Å; L114-S118 PolarHBondContact O-N 2.94Å; L114-I208 HydrophobicContact CD2-CD1 4.28Å
115W91Very high92.1Very high31 Ų3161.1 Ų61.112%0.11732%0.315CS..Hα-helixtrans-60.1-30.2177-73-36.4000113.8R90 L95 H107 Q111 V112R90-W115 PolarHBondContact NH1-O 2.88Å; R90-W115 PolarHBondContact NH2-O 2.92Å; L95-W115 HydrophobicContact CD1-CB 4.1Å; L95-W115 HydrophobicContact CD1-CD2 4.03Å; L95-W115 HydrophobicContact CD1-CE3 4.19Å; L95-W115 HydrophobicContact CD1-CG 4.02Å; H107-W115 HydrophobicContact CB-CH2 3.91Å; H107-W115 HydrophobicContact CB-CZ3 3.92Å; H107-W115 AromaticContact CD2-CH2 3.81Å; H107-W115 AromaticContact CD2-CZ3 3.84Å; H107-W115 AromaticContact CG-CH2 3.69Å; H107-W115 AromaticContact CG-CZ3 3.95Å; Q111-W115 HydrophobicContact CG-CD2 4.05Å; Q111-W115 HydrophobicContact CG-CE3 4.03Å; Q111-W115 HydrophobicContact CG-CH2 3.59Å; Q111-W115 HydrophobicContact CG-CZ2 3.61Å; Q111-W115 HydrophobicContact CG-CZ3 3.81Å; Q111-W115 VanDerWaalsContact NE2-CE2 3.25Å; Q111-W115 VanDerWaalsContact NE2-NE1 3.18Å; Q111-W115 PolarHBondContact O-N 3.4Å; V112-W115 HydrophobicContact CG2-CE3 4.25Å; V112-W115 HydrophobicContact CG2-CZ3 4.36Å; V112-W115 PolarHBondContact O-N 3.2Å
116R91.6Very high92.8Very high15 Ų1556.6 Ų56.66%0.05729%0.291CS..Hα-helixtrans-87.3-28.1-176.3-75.717677.5-148.56.3114.1F22 V112 R113 L114 V248 E249F22-R116 HydrophobicContact CE1-CG 3.79Å; F22-R116 HydrophobicContact CZ-CG 3.98Å; V112-R116 HydrophobicContact CG1-CG 4.19Å; V112-R116 VanDerWaalsContact O-CB 3.25Å; V112-R116 WeakPolarHBondContact O-CB 3.49Å; V112-R116 WeakPolarHBondContact O-CG 3.5Å; V112-R116 PolarHBondContact O-N 2.92Å; R113-R116 PolarHBondContact O-N 2.96Å; L114-R116 PolarHBondContact O-N 3.44Å; R116-V248 PolarHBondContact NH2-O 3.24Å; R116-E249 PolarHBondContact NH1-O 3.19Å
117R90.9Very high93.3Very high22 Ų2258.4 Ų58.48%0.08330%0.296CS..Hα-helixtrans-134.4-24.9-163.5-64.3-66.2-177.4-90.9-2.8114.7R113 L114 R193 I208 T211R113-R117 WeakPolarHBondContact O-CB 3.27Å; R113-R117 PolarHBondContact O-N 2.84Å; L114-R117 PolarHBondContact O-N 2.92Å; R117-R193 PolarHBondContact O-NH2 3.47Å; R117-I208 HydrophobicContact CB-CB 4.38Å; R117-I208 HydrophobicContact CB-CG1 3.45Å; R117-I208 VanDerWaalsContact CB-CG1 3.45Å; R117-I208 WeakPolarHBondContact CB-O 3.34Å; R117-T211 PolarHBondContact NE-OG1 2.99Å; R117-T211 VanDerWaalsContact NE-OG1 3.14Å; R117-T211 PolarHBondContact NH2-OG1 2.86Å
118S94Very high93.8Very high20 Ų2060 Ų6014%0.1430%0.304CS..  trans-58.1147.3179.9179.90000111.3L114 N120 I121L114-S118 WeakPolarHBondContact O-CB 3.14Å; L114-S118 PolarHBondContact O-N 2.94Å; S118-N120 PolarHBondContact OG-N 2.97Å; S118-I121 WeakPolarHBondContact OG-CG1 3.32Å
119Y97Very high94.2Very high25 Ų2563.2 Ų63.210%0.09832%0.322CS..SBendtrans-70.8-46176.3-174.5-121.2000112.4S157 L158 K159 K197 D204Y119-S157 WeakPolarHBondContact O-CB 3.44Å; Y119-L158 HydrophobicContact CD2-CB 4.04Å; Y119-L158 HydrophobicContact CD2-CD2 4.17Å; Y119-L158 HydrophobicContact CD2-CG 4.18Å; Y119-L158 PolarHBondContact O-N 3.41Å; Y119-L158 VanDerWaalsContact O-N 3.13Å; Y119-K159 HydrophobicContact CD1-CB 4.21Å; Y119-K159 HydrophobicContact CD2-CB 4.26Å; Y119-K159 HydrophobicContact CE1-CB 3.82Å; Y119-K159 HydrophobicContact CE1-CD 4.11Å; Y119-K159 HydrophobicContact CE1-CG 3.93Å; Y119-K159 HydrophobicContact CE2-CB 3.84Å; Y119-K159 HydrophobicContact CE2-CG 4.44Å; Y119-K159 HydrophobicContact CG-CB 4.44Å; Y119-K159 PolarHBondContact O-N 2.94Å; Y119-K197 HydrophobicContact CD2-CD 3.72Å; Y119-K197 HydrophobicContact CE2-CD 3.51Å; Y119-K197 VanDerWaalsContact CE2-CE 3.49Å; Y119-D204 HydrophobicContact CD1-CB 3.9Å; Y119-D204 WeakPolarHBondContact CD1-OD1 3.38Å; Y119-D204 WeakPolarHBondContact CD1-OD2 3.49Å; Y119-D204 VanDerWaalsContact CE1-CG 3.49Å; Y119-D204 VanDerWaalsContact CE1-OD1 3.31Å; Y119-D204 WeakPolarHBondContact CE1-OD1 3.47Å; Y119-D204 VanDerWaalsContact CE1-OD2 3.31Å; Y119-D204 WeakPolarHBondContact CE1-OD2 3.4Å; Y119-D204 HydrophobicContact CG-CB 4.36Å
120N96.4Very high94.6Very high85 Ų8560.3 Ų60.346%0.45531%0.308SS..SBendtrans-101.2-14.3-166.3-66.1-49.1000114.7S118 T122S118-N120 PolarHBondContact OG-N 2.97Å; N120-T122 PolarHBondContact O-N 3.29Å
121I96.1Very high95Very high64 Ų6458.1 Ų58.133%0.32831%0.307SS..  trans-79.1114.6-176.8-60-64.2000110.7R90 S118R90-I121 PolarHBondContact NH2-O 2.87Å; S118-I121 WeakPolarHBondContact OG-CG1 3.32Å
122T96.9Very high95.4Very high67 Ų6757.2 Ų57.241%0.41130%0.301SS..PPolyproline II helixtrans-86.8130.7174.1-49.30000110.4N120 S155 S157N120-T122 PolarHBondContact O-N 3.29Å; T122-S155 WeakPolarHBondContact CG2-OG 3.34Å; T122-S157 WeakPolarHBondContact OG1-CB 3.33Å
123P95.7Very high95.8Very high4 Ų458.6 Ų58.63%0.02631%0.307CS..PPolyproline II helixtrans-67160.2172.1-1833.7000111.3R90 Y92 L95 S155 E156R90-P123 VanDerWaalsContact CZ-CG 3.42Å; Y92-P123 HydrophobicContact CD1-CG 4.47Å; Y92-P123 VanDerWaalsContact O-CB 3.26Å; Y92-P123 WeakPolarHBondContact O-CB 3.46Å; L95-P123 HydrophobicContact CD1-CB 4.03Å; L95-P123 HydrophobicContact CG-CB 4.34Å; P123-S155 WeakPolarHBondContact O-CB 3.44Å; P123-S155 PolarHBondContact O-OG 3.01Å; P123-E156 WeakPolarHBondContact CD-O 3.39Å
124P95.7Very high96.2Very high63 Ų6357.2 Ų57.241%0.40931%0.305SS..PPolyproline II helixtrans-55.7137.3170.2-21.132.2000110.7G93 A94G93-P124 CarbonylContact C-O 3.58Å; G93-P124 VanDerWaalsContact CA-O 3.32Å; G93-P124 WeakPolarHBondContact CA-O 3.5Å; A94-P124 HydrophobicContact CB-CB 4.1Å; A94-P124 PolarHBondContact N-O 3.43Å
125P98.3Very high96.6Very high72 Ų7259.4 Ų59.447%0.46831%0.314SS..PPolyproline II helixtrans-63.4149.3-179.227.2-34.5000111.5R154P125-R154 HydrophobicContact CB-CB 3.92Å
126I98.6Very high96.9Very high6 Ų658.1 Ų58.13%0.03131%0.31CS..PPolyproline II helixtrans-71.1135.5169.1-164.8176.5000109.7I96 H130 Y133 I136 Y137 R154I96-I126 HydrophobicContact CD1-CD1 4.47Å; I126-H130 HydrophobicContact CD1-CB 4.02Å; I126-H130 WeakPolarHBondContact CD1-ND1 3.42Å; I126-H130 HydrophobicContact CG1-CB 3.46Å; I126-H130 VanDerWaalsContact CG1-CB 3.46Å; I126-Y133 HydrophobicContact CD1-CD2 4.23Å; I126-Y133 HydrophobicContact CG1-CD2 4.08Å; I126-Y133 HydrophobicContact CG2-CD2 3.97Å; I126-Y133 HydrophobicContact CG2-CE2 4.3Å; I126-I136 HydrophobicContact CD1-CD1 4.22Å; I126-Y137 HydrophobicContact CG2-CE2 3.77Å; I126-R154 HydrophobicContact CG2-CB 4.02Å; I126-R154 HydrophobicContact CG2-CG 4.01Å; I126-R154 WeakPolarHBondContact CG2-O 3.41Å; I126-R154 PolarHBondContact N-O 2.88Å
127E98.3Very high97.3Very high129 Ų12957.7 Ų57.760%0.60331%0.308SS*.  trans-105.2162.9175.4-63.2-175.6173.500111S129 H130 Y133E127-S129 PolarHBondContact O-N 3.46Å; E127-H130 WeakPolarHBondContact O-CB 3.1Å; E127-H130 PolarHBondContact O-N 3.43Å; E127-Y133 WeakPolarHBondContact O-CB 3.48Å; E127-Y133 VanDerWaalsContact O-CD2 3.3Å; E127-Y133 WeakPolarHBondContact O-CD2 3.5Å
128E98.2Very high97.6Very high134 Ų13461.8 Ų61.863%0.62633%0.332SS*.THydrogen-bonded Turntrans-58.6-29.2177.5-64.1-171.5-159.800113.3H130 Y133E128-H130 PolarHBondContact O-N 3.35Å; E128-Y133 HydrophobicContact CB-CD1 4.32Å; E128-Y133 HydrophobicContact CB-CE1 4.31Å; E128-Y133 HydrophobicContact CG-CD1 4.2Å; E128-Y133 HydrophobicContact CG-CE1 3.69Å; E128-Y133 HydrophobicContact CG-CE2 4.27Å
129S98.3Very high97.9Very high100 Ų10063.2 Ų63.270%0.69934%0.338SS*.THydrogen-bonded Turntrans-69.1-14.6175.862.30000113.6E127E127-S129 PolarHBondContact O-N 3.46Å
130H98.6Very high97.9Very high26 Ų2670.7 Ų70.712%0.1237%0.366CS..SBendtrans-69.9137.1-175.7-172.6-91000111.1I96 I126 E127 E128 Y132 Y133I96-H130 PolarHBondContact O-CE1 2.88Å; I96-H130 VanDerWaalsContact O-CE1 3.25Å; I96-H130 PolarHBondContact O-NE2 3.18Å; I96-H130 VanDerWaalsContact O-NE2 3.17Å; I126-H130 HydrophobicContact CD1-CB 4.02Å; I126-H130 WeakPolarHBondContact CD1-ND1 3.42Å; I126-H130 HydrophobicContact CG1-CB 3.46Å; I126-H130 VanDerWaalsContact CG1-CB 3.46Å; E127-H130 WeakPolarHBondContact O-CB 3.1Å; E127-H130 PolarHBondContact O-N 3.43Å; E128-H130 PolarHBondContact O-N 3.35Å; H130-Y132 AromaticContact CE1-CD2 3.7Å; H130-Y132 PolarHBondContact ND1-N 3.41Å; H130-Y132 PolarHBondContact O-N 3.44Å; H130-Y133 WeakPolarHBondContact O-CB 3.31Å; H130-Y133 PolarHBondContact O-N 3.4Å
131P98.5Very high98Very high108 Ų10869.4 Ų69.470%0.70135%0.354SS*.THydrogen-bonded Turntrans-54.9-27.8-173.5-28.434.9000115.2
132Y98.5Very high98.2Very high50 Ų5066.5 Ų66.520%0.19634%0.34CS..THydrogen-bonded Turntrans-106.24.2-176.3-58.4-73.2000114W16 R21 V26 I96 H130 E135 I136W16-Y132 HydrophobicContact CH2-CD1 4Å; W16-Y132 HydrophobicContact CH2-CD2 4.15Å; W16-Y132 AromaticContact CH2-CE1 3.54Å; W16-Y132 HydrophobicContact CH2-CE1 3.54Å; W16-Y132 AromaticContact CH2-CE2 3.68Å; W16-Y132 HydrophobicContact CH2-CE2 3.68Å; W16-Y132 HydrophobicContact CH2-CG 4.3Å; W16-Y132 AromaticContact CH2-CZ 3.35Å; W16-Y132 AromaticContact CZ2-CE1 3.73Å; W16-Y132 HydrophobicContact CZ2-CE1 3.73Å; W16-Y132 HydrophobicContact CZ2-CE2 4.35Å; W16-Y132 AromaticContact CZ2-CZ 3.61Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.38Å; R21-Y132 PolarHBondContact NH2-OH 3.14Å; V26-Y132 HydrophobicContact CG2-CD1 4.24Å; V26-Y132 HydrophobicContact CG2-CG 4.13Å; I96-Y132 HydrophobicContact CG2-CD2 4.18Å; I96-Y132 HydrophobicContact CG2-CG 4.34Å; H130-Y132 AromaticContact CE1-CD2 3.7Å; H130-Y132 PolarHBondContact ND1-N 3.41Å; H130-Y132 PolarHBondContact O-N 3.44Å; Y132-E135 VanDerWaalsContact CD1-CD 3.48Å; Y132-E135 HydrophobicContact CD1-CG 4.32Å; Y132-E135 WeakPolarHBondContact CD1-OE1 3.42Å; Y132-E135 WeakPolarHBondContact CD1-OE2 3.31Å; Y132-E135 WeakPolarHBondContact O-CG 3.45Å; Y132-I136 WeakPolarHBondContact O-CD1 3.42Å; Y132-I136 WeakPolarHBondContact O-CG1 3.4Å; Y132-I136 PolarHBondContact O-N 2.98Å
133Y98.7Very high98.2Very high29 Ų2968.5 Ų68.511%0.11434%0.342CS..Hα-helixtrans-62.3-53.4-177.2-178.3-88.7000111.8I126 E127 E128 H130 E135 I136 Y137I126-Y133 HydrophobicContact CD1-CD2 4.23Å; I126-Y133 HydrophobicContact CG1-CD2 4.08Å; I126-Y133 HydrophobicContact CG2-CD2 3.97Å; I126-Y133 HydrophobicContact CG2-CE2 4.3Å; E127-Y133 WeakPolarHBondContact O-CB 3.48Å; E127-Y133 VanDerWaalsContact O-CD2 3.3Å; E127-Y133 WeakPolarHBondContact O-CD2 3.5Å; E128-Y133 HydrophobicContact CB-CD1 4.32Å; E128-Y133 HydrophobicContact CB-CE1 4.31Å; E128-Y133 HydrophobicContact CG-CD1 4.2Å; E128-Y133 HydrophobicContact CG-CE1 3.69Å; E128-Y133 HydrophobicContact CG-CE2 4.27Å; H130-Y133 WeakPolarHBondContact O-CB 3.31Å; H130-Y133 PolarHBondContact O-N 3.4Å; Y133-E135 PolarHBondContact O-N 3.28Å; Y133-I136 PolarHBondContact O-N 3.23Å; Y133-Y137 HydrophobicContact CD1-CD2 4.1Å; Y133-Y137 AromaticContact CD2-CD2 3.63Å; Y133-Y137 HydrophobicContact CD2-CD2 3.63Å; Y133-Y137 AromaticContact CD2-CE2 3.6Å; Y133-Y137 HydrophobicContact CD2-CE2 3.6Å; Y133-Y137 AromaticContact CE1-CD2 3.98Å; Y133-Y137 HydrophobicContact CE1-CD2 3.98Å; Y133-Y137 AromaticContact CE2-CD2 3.49Å; Y133-Y137 HydrophobicContact CE2-CD2 3.49Å; Y133-Y137 VanDerWaalsContact CE2-CD2 3.49Å; Y133-Y137 AromaticContact CE2-CE2 3.48Å; Y133-Y137 HydrophobicContact CE2-CE2 3.48Å; Y133-Y137 VanDerWaalsContact CE2-CE2 3.48Å; Y133-Y137 HydrophobicContact CE2-CG 4.46Å; Y133-Y137 AromaticContact CG-CD2 3.93Å; Y133-Y137 HydrophobicContact CG-CD2 3.93Å; Y133-Y137 HydrophobicContact CG-CE2 4.31Å; Y133-Y137 AromaticContact CZ-CD2 3.67Å; Y133-Y137 WeakPolarHBondContact O-CD2 3.36Å; Y133-Y137 PolarHBondContact O-N 3Å
134H98.4Very high98.4Very high99 Ų9972.7 Ų72.746%0.45837%0.368SS..Hα-helixtrans-66.1-37.4-174.2-69.1-60.4000112.8I136 N138H134-I136 VanDerWaalsContact C-N 3.27Å; H134-I136 PolarHBondContact O-N 3.15Å; H134-N138 WeakPolarHBondContact O-CB 3.16Å; H134-N138 VanDerWaalsContact O-CG 3.27Å; H134-N138 PolarHBondContact O-N 3.28Å; H134-N138 PolarHBondContact O-ND2 3.34Å
135E98.3Very high98.5Very high99 Ų9971.2 Ų71.246%0.46336%0.358SS..Hα-helixtrans-65.9-29.9176.862165.7-130.300113V26 Y132 Y133V26-E135 WeakPolarHBondContact CG1-OE1 3.35Å; V26-E135 WeakPolarHBondContact CG2-OE1 3.31Å; Y132-E135 VanDerWaalsContact CD1-CD 3.48Å; Y132-E135 HydrophobicContact CD1-CG 4.32Å; Y132-E135 WeakPolarHBondContact CD1-OE1 3.42Å; Y132-E135 WeakPolarHBondContact CD1-OE2 3.31Å; Y132-E135 WeakPolarHBondContact O-CG 3.45Å; Y133-E135 PolarHBondContact O-N 3.28Å
136I98.6Very high98.5Very high4 Ų472.5 Ų72.52%0.02136%0.362CS..Hα-helixtrans-74.3-61.3175.7-66.1168.4000109.2W25 V26 I96 I126 Y132 Y133 H134 N138 D139 Y142W25-I136 HydrophobicContact CB-CD1 4.1Å; W25-I136 HydrophobicContact CB-CG1 4.39Å; W25-I136 HydrophobicContact CB-CG2 4.11Å; W25-I136 HydrophobicContact CE3-CG2 4.08Å; V26-I136 HydrophobicContact CG2-CD1 4.24Å; I96-I136 HydrophobicContact CD1-CD1 4Å; I126-I136 HydrophobicContact CD1-CD1 4.22Å; Y132-I136 WeakPolarHBondContact O-CD1 3.42Å; Y132-I136 WeakPolarHBondContact O-CG1 3.4Å; Y132-I136 PolarHBondContact O-N 2.98Å; Y133-I136 PolarHBondContact O-N 3.23Å; H134-I136 VanDerWaalsContact C-N 3.27Å; H134-I136 PolarHBondContact O-N 3.15Å; I136-N138 PolarHBondContact O-N 2.98Å; I136-D139 PolarHBondContact O-N 3.43Å; I136-Y142 HydrophobicContact CG2-CE2 4.13Å; I136-Y142 WeakPolarHBondContact O-CD2 3.4Å; I136-Y142 WeakPolarHBondContact O-CE2 3.28Å
137Y98.6Very high98.5Very high6 Ų673.5 Ų73.52%0.02437%0.368CS..Hα-helixtrans-83.1-14.3-167.8-62.2-78.4000114.4H91 I126 Y133 K143 L149 L152 P153 R154H91-Y137 AromaticContact NE2-CZ 3.99Å; H91-Y137 PolarHBondContact NE2-OH 2.89Å; H91-Y137 VanDerWaalsContact NE2-OH 3.15Å; I126-Y137 HydrophobicContact CG2-CE2 3.77Å; Y133-Y137 HydrophobicContact CD1-CD2 4.1Å; Y133-Y137 AromaticContact CD2-CD2 3.63Å; Y133-Y137 HydrophobicContact CD2-CD2 3.63Å; Y133-Y137 AromaticContact CD2-CE2 3.6Å; Y133-Y137 HydrophobicContact CD2-CE2 3.6Å; Y133-Y137 AromaticContact CE1-CD2 3.98Å; Y133-Y137 HydrophobicContact CE1-CD2 3.98Å; Y133-Y137 AromaticContact CE2-CD2 3.49Å; Y133-Y137 HydrophobicContact CE2-CD2 3.49Å; Y133-Y137 VanDerWaalsContact CE2-CD2 3.49Å; Y133-Y137 AromaticContact CE2-CE2 3.48Å; Y133-Y137 HydrophobicContact CE2-CE2 3.48Å; Y133-Y137 VanDerWaalsContact CE2-CE2 3.48Å; Y133-Y137 HydrophobicContact CE2-CG 4.46Å; Y133-Y137 AromaticContact CG-CD2 3.93Å; Y133-Y137 HydrophobicContact CG-CD2 3.93Å; Y133-Y137 HydrophobicContact CG-CE2 4.31Å; Y133-Y137 AromaticContact CZ-CD2 3.67Å; Y133-Y137 WeakPolarHBondContact O-CD2 3.36Å; Y133-Y137 PolarHBondContact O-N 3Å; Y137-K143 PolarHBondContact O-NZ 2.71Å; Y137-L149 HydrophobicContact CD1-CD1 4.02Å; Y137-L152 HydrophobicContact CE1-CB 4.4Å; Y137-P153 PolarHBondContact OH-O 3.34Å; Y137-R154 WeakPolarHBondContact OH-CA 3.46Å
138N98.6Very high98.5Very high107 Ų10770.3 Ų70.357%0.57236%0.358SS*.THydrogen-bonded Turntrans-81.5-13.4173.2-67.9-20.7000113.5H134 I136 K143H134-N138 WeakPolarHBondContact O-CB 3.16Å; H134-N138 VanDerWaalsContact O-CG 3.27Å; H134-N138 PolarHBondContact O-N 3.28Å; H134-N138 PolarHBondContact O-ND2 3.34Å; I136-N138 PolarHBondContact O-N 2.98Å; N138-K143 PolarHBondContact O-NZ 3.46Å
139D98.8Very high98.5Very high51 Ų5166.4 Ų66.427%0.27334%0.341SS..SBendtrans-62.7140.4177.8-165.4-60.3000111.3I136 R141 Y142 K143I136-D139 PolarHBondContact O-N 3.43Å; D139-R141 VanDerWaalsContact C-N 3.26Å; D139-R141 HydrophobicContact CB-CG 4.32Å; D139-R141 PolarHBondContact O-N 2.96Å; D139-R141 WeakPolarHBondContact OD1-CB 3.39Å; D139-R141 VanDerWaalsContact OD1-CG 3.27Å; D139-R141 WeakPolarHBondContact OD1-CG 3.39Å; D139-R141 IonicContact OD1-CZ 2.76Å; D139-R141 PolarHBondContact OD1-N 3.4Å; D139-R141 IonicContact OD1-NE 3.7Å; D139-R141 PolarHBondContact OD1-NE 3.4Å; D139-R141 IonicContact OD1-NH2 3.94Å; D139-R141 IonicContact OD2-CZ 3.34Å; D139-R141 VanDerWaalsContact OD2-CZ 3.3Å; D139-R141 IonicContact OD2-NE 2.72Å; D139-R141 PolarHBondContact OD2-NE 2.92Å; D139-R141 VanDerWaalsContact OD2-NE 3.07Å; D139-R141 IonicContact OD2-NH2 2.97Å; D139-R141 PolarHBondContact OD2-NH2 3.39Å; D139-Y142 HydrophobicContact CB-CD2 4.18Å; D139-K143 PolarHBondContact O-NZ 3.15Å
140R98.7Very high98.5Very high182 Ų18267 Ų6769%0.68734%0.337SS*.G310 helixtrans-64.6-30.4-179.8-168.1-176.274.586.3-1.4112Y142 K143R140-Y142 PolarHBondContact O-N 2.86Å; R140-Y142 VanDerWaalsContact O-N 3.13Å; R140-K143 WeakPolarHBondContact O-CB 3.47Å; R140-K143 PolarHBondContact O-N 2.97Å
141R98.7Very high98.4Very high57 Ų5771.7 Ų71.722%0.21536%0.359CS..G310 helixtrans-56.6-31.9-17777.4-17270.6-179.913.2112.7D27 V59 D139 V144 C145D27-R141 IonicContact OD1-NH1 3.45Å; D27-R141 PolarHBondContact OD1-NH1 3.13Å; D27-R141 IonicContact OD2-CZ 2.85Å; D27-R141 IonicContact OD2-NH1 3.23Å; D27-R141 PolarHBondContact OD2-NH1 2.82Å; D27-R141 IonicContact OD2-NH2 3.61Å; D27-R141 PolarHBondContact OD2-NH2 2.94Å; V59-R141 HydrophobicContact CG2-CG 4.24Å; V59-R141 PolarHBondContact O-NH1 2.97Å; D139-R141 VanDerWaalsContact C-N 3.26Å; D139-R141 HydrophobicContact CB-CG 4.32Å; D139-R141 PolarHBondContact O-N 2.96Å; D139-R141 WeakPolarHBondContact OD1-CB 3.39Å; D139-R141 VanDerWaalsContact OD1-CG 3.27Å; D139-R141 WeakPolarHBondContact OD1-CG 3.39Å; D139-R141 IonicContact OD1-CZ 2.76Å; D139-R141 PolarHBondContact OD1-N 3.4Å; D139-R141 IonicContact OD1-NE 3.7Å; D139-R141 PolarHBondContact OD1-NE 3.4Å; D139-R141 IonicContact OD1-NH2 3.94Å; D139-R141 IonicContact OD2-CZ 3.34Å; D139-R141 VanDerWaalsContact OD2-CZ 3.3Å; D139-R141 IonicContact OD2-NE 2.72Å; D139-R141 PolarHBondContact OD2-NE 2.92Å; D139-R141 VanDerWaalsContact OD2-NE 3.07Å; D139-R141 IonicContact OD2-NH2 2.97Å; D139-R141 PolarHBondContact OD2-NH2 3.39Å; R141-V144 WeakPolarHBondContact O-CG2 3.28Å; R141-C145 PolarHBondContact O-SG 3.08Å
142Y98.8Very high98.5Very high4 Ų466.7 Ų66.72%0.01633%0.326CS..G310 helixtrans-86.8-8.7179.2-63.3-57.2000114.1W25 V59 L60 W85 N88 I136 D139 R140 L152W25-Y142 AromaticContact CE3-CE1 3.76Å; W25-Y142 HydrophobicContact CE3-CE1 3.76Å; W25-Y142 HydrophobicContact CE3-CE2 4.4Å; W25-Y142 AromaticContact CE3-CZ 3.66Å; W25-Y142 HydrophobicContact CH2-CE1 4.36Å; W25-Y142 HydrophobicContact CZ3-CD1 4.07Å; W25-Y142 AromaticContact CZ3-CE1 3.6Å; W25-Y142 HydrophobicContact CZ3-CE1 3.6Å; W25-Y142 AromaticContact CZ3-CZ 4Å; V59-Y142 HydrophobicContact CG2-CE1 3.97Å; L60-Y142 WeakPolarHBondContact CD2-OH 3.33Å; W85-Y142 HydrophobicContact CB-CE1 4.43Å; N88-Y142 PolarHBondContact ND2-OH 3.17Å; I136-Y142 HydrophobicContact CG2-CE2 4.13Å; I136-Y142 WeakPolarHBondContact O-CD2 3.4Å; I136-Y142 WeakPolarHBondContact O-CE2 3.28Å; D139-Y142 HydrophobicContact CB-CD2 4.18Å; R140-Y142 PolarHBondContact O-N 2.86Å; R140-Y142 VanDerWaalsContact O-N 3.13Å; Y142-L152 HydrophobicContact CD1-CD1 3.7Å; Y142-L152 HydrophobicContact CG-CD1 3.9Å
143K98.6Very high98.5Very high108 Ų10865.5 Ų65.547%0.4733%0.325SS..G310 helixtrans-88.8-6.6174.3-61.9179.8174.364.20113Y137 N138 D139 R140 L149Y137-K143 PolarHBondContact O-NZ 2.71Å; N138-K143 PolarHBondContact O-NZ 3.46Å; D139-K143 PolarHBondContact O-NZ 3.15Å; R140-K143 WeakPolarHBondContact O-CB 3.47Å; R140-K143 PolarHBondContact O-N 2.97Å; K143-L149 HydrophobicContact CG-CD2 4.24Å
144V98.4Very high98.5Very high93 Ų9367.5 Ų67.556%0.56433%0.332SS*.SBendtrans-126.319.5-176.6-59.90000112R141R141-V144 WeakPolarHBondContact O-CG2 3.28Å
145C98.3Very high98.5Very high31 Ų3163.8 Ų63.821%0.20932%0.317CS..SBendtrans-73.7167.6171.5-70.20000110.8W85 R141 V147W85-C145 HydrophobicContact CG-CB 4.41Å; R141-C145 PolarHBondContact O-SG 3.08Å; C145-V147 HydrophobicContact CB-CG2 4.45Å; C145-V147 PolarHBondContact O-N 2.71Å
146D98.4Very high98.5Very high100 Ų10059.1 Ų59.154%0.53530%0.295SS..SBendtrans-73.3-2173.264.9-18.2000113.4W85 R86W85-D146 PolarHBondContact NE1-OD1 3.18Å; R86-D146 IonicContact CZ-OD2 2.73Å; R86-D146 IonicContact NE-OD1 3.22Å; R86-D146 IonicContact NE-OD2 2.81Å; R86-D146 PolarHBondContact NE-OD2 2.9Å; R86-D146 IonicContact NH2-OD1 3.23Å; R86-D146 IonicContact NH2-OD2 3.88Å; R86-D146 PolarHBondContact NH2-OD2 3.23Å
147V98.3Very high98.5Very high27 Ų2759 Ų5916%0.16430%0.295CS..SBendtrans-123.8146.4169.2-59.50000109.7W85 C145 Q151 L152W85-V147 HydrophobicContact CH2-CG2 4.29Å; W85-V147 HydrophobicContact CZ2-CB 4.47Å; W85-V147 HydrophobicContact CZ2-CG1 4.08Å; W85-V147 HydrophobicContact CZ2-CG2 3.52Å; C145-V147 HydrophobicContact CB-CG2 4.45Å; C145-V147 PolarHBondContact O-N 2.71Å; V147-Q151 HydrophobicContact CB-CB 4.5Å; V147-L152 HydrophobicContact CG2-CD2 3.46Å; V147-L152 VanDerWaalsContact CG2-CD2 3.46Å; V147-L152 HydrophobicContact CG2-CG 3.99Å
148P98.4Very high98.5Very high61 Ų6158.8 Ų58.840%0.39629%0.294SS..  trans-56148.9171.6-26.736.2000112.9D150 Q151 L152P148-D150 WeakPolarHBondContact CB-OD1 3.49Å; P148-D150 PolarHBondContact O-N 3.49Å; P148-Q151 HydrophobicContact CB-CG 4.21Å; P148-Q151 HydrophobicContact CG-CG 4.35Å; P148-Q151 WeakPolarHBondContact O-CB 3.34Å; P148-Q151 PolarHBondContact O-N 3.23Å; P148-L152 PolarHBondContact O-N 2.85Å
149L98.2Very high98.5Very high52 Ų5257.6 Ų57.627%0.27228%0.284SS..G310 helixtrans-55.3-37.6179.8176.462.9000112.4Y137 K143 Q151 L152Y137-L149 HydrophobicContact CD1-CD1 4.02Å; K143-L149 HydrophobicContact CG-CD2 4.24Å; L149-Q151 PolarHBondContact O-N 2.86Å; L149-L152 HydrophobicContact CD1-CD1 4.01Å; L149-L152 PolarHBondContact O-N 3.17Å
150D97.6Very high98.5Very high112 Ų11257.6 Ų57.660%0.59928%0.284SS*.G310 helixtrans-71.7-12.8177.961.6-58000113.6P148 R154P148-D150 WeakPolarHBondContact CB-OD1 3.49Å; P148-D150 PolarHBondContact O-N 3.49Å; D150-R154 VanDerWaalsContact C-NH1 3.3Å; D150-R154 PolarHBondContact O-NH1 3.38Å
151Q98.2Very high98.5Very high126 Ų12649 Ų4959%0.58925%0.251SS*.G310 helixtrans-99.9-7.2176-63.3-17813.700113.7V147 P148 L149V147-Q151 HydrophobicContact CB-CB 4.5Å; P148-Q151 HydrophobicContact CB-CG 4.21Å; P148-Q151 HydrophobicContact CG-CG 4.35Å; P148-Q151 WeakPolarHBondContact O-CB 3.34Å; P148-Q151 PolarHBondContact O-N 3.23Å; L149-Q151 PolarHBondContact O-N 2.86Å
152L98.7Very high98.5Very high2 Ų247 Ų471%0.0125%0.245CC..SBendtrans-64.2146.8174.2-71.6171.2000111.3W25 W85 Y137 Y142 V147 P148 L149 R154W25-L152 HydrophobicContact CH2-CB 4.46Å; W25-L152 HydrophobicContact CH2-CD2 4.06Å; W25-L152 HydrophobicContact CZ3-CB 4.34Å; W25-L152 HydrophobicContact CZ3-CD1 4.41Å; W25-L152 HydrophobicContact CZ3-CD2 4.36Å; W85-L152 HydrophobicContact CD2-CD2 3.68Å; W85-L152 HydrophobicContact CE3-CD2 3.7Å; W85-L152 HydrophobicContact CG-CD2 4.31Å; W85-L152 HydrophobicContact CH2-CD2 4.02Å; W85-L152 HydrophobicContact CZ2-CD2 4.02Å; W85-L152 HydrophobicContact CZ3-CD2 3.87Å; Y137-L152 HydrophobicContact CE1-CB 4.4Å; Y142-L152 HydrophobicContact CD1-CD1 3.7Å; Y142-L152 HydrophobicContact CG-CD1 3.9Å; V147-L152 HydrophobicContact CG2-CD2 3.46Å; V147-L152 VanDerWaalsContact CG2-CD2 3.46Å; V147-L152 HydrophobicContact CG2-CG 3.99Å; P148-L152 PolarHBondContact O-N 2.85Å; L149-L152 HydrophobicContact CD1-CD1 4.01Å; L149-L152 PolarHBondContact O-N 3.17Å; L152-R154 VanDerWaalsContact O-CD 3.31Å; L152-R154 WeakPolarHBondContact O-CD 3.5Å; L152-R154 PolarHBondContact O-NH1 3.49Å
153P98.6Very high98.5Very high26 Ų2652.1 Ų52.117%0.16927%0.269CS..  trans-65.8147.6-175.727.3-36000112.3W25 W85 H91 Y137 E156W25-P153 HydrophobicContact CH2-CG 3.72Å; W25-P153 HydrophobicContact CZ2-CG 3.72Å; W85-P153 HydrophobicContact CZ3-CG 4.28Å; H91-P153 HydrophobicContact CB-CG 4.47Å; H91-P153 PolarHBondContact CD2-O 2.63Å; Y137-P153 PolarHBondContact OH-O 3.34Å; P153-E156 HydrophobicContact CB-CG 3.56Å; P153-E156 HydrophobicContact CG-CG 3.77Å
154R98.7Very high98.5Very high70 Ų7047.9 Ų47.926%0.26425%0.25SS..SBendtrans-100.9-15.9170.7-82.457.2178.7-157.9-2.7112.3H91 G93 P125 I126 Y137 D150 L152H91-R154 PolarHBondContact CE1-O 2.7Å; H91-R154 PolarHBondContact ND1-O 3.45Å; G93-R154 WeakPolarHBondContact CA-O 3.34Å; P125-R154 HydrophobicContact CB-CB 3.92Å; I126-R154 HydrophobicContact CG2-CB 4.02Å; I126-R154 HydrophobicContact CG2-CG 4.01Å; I126-R154 WeakPolarHBondContact CG2-O 3.41Å; I126-R154 PolarHBondContact N-O 2.88Å; Y137-R154 WeakPolarHBondContact OH-CA 3.46Å; D150-R154 VanDerWaalsContact C-NH1 3.3Å; D150-R154 PolarHBondContact O-NH1 3.38Å; L152-R154 VanDerWaalsContact O-CD 3.31Å; L152-R154 WeakPolarHBondContact O-CD 3.5Å; L152-R154 PolarHBondContact O-NH1 3.49Å
155S98.6Very high98.6Very high21 Ų2143.5 Ų43.515%0.14722%0.224CC..SBendtrans-161.5158.3162.5540000107.8H91 T122 P123H91-S155 WeakPolarHBondContact O-CA 3.4Å; T122-S155 WeakPolarHBondContact CG2-OG 3.34Å; P123-S155 WeakPolarHBondContact O-CB 3.44Å; P123-S155 PolarHBondContact O-OG 3.01Å
156E98.8Very high98.6Very high2 Ų244 Ų441%0.00922%0.224CC..  trans-135.6138.2179.1-67.8176.6117.100108.8R90 H91 P123 P153 D160 V161 R164R90-E156 HydrophobicContact CG-CB 4.07Å; R90-E156 WeakPolarHBondContact CG-O 3.28Å; R90-E156 PolarHBondContact NE-O 3.03Å; R90-E156 PolarHBondContact NH2-O 3.38Å; H91-E156 HydrophobicContact CB-CB 4.21Å; H91-E156 HydrophobicContact CB-CG 3.81Å; H91-E156 WeakPolarHBondContact CB-OE2 3.49Å; H91-E156 PolarHBondContact N-OE2 3.03Å; H91-E156 PolarHBondContact O-N 2.67Å; P123-E156 WeakPolarHBondContact CD-O 3.39Å; P153-E156 HydrophobicContact CB-CG 3.56Å; P153-E156 HydrophobicContact CG-CG 3.77Å; E156-D160 HydrophobicContact CB-CB 3.98Å; E156-D160 HydrophobicContact CG-CB 4.22Å; E156-V161 HydrophobicContact CB-CG2 3.94Å; E156-V161 HydrophobicContact CG-CG2 4.48Å; E156-R164 WeakPolarHBondContact OE1-CG 3.18Å; E156-R164 IonicContact OE1-CZ 3.35Å; E156-R164 IonicContact OE1-NE 2.72Å; E156-R164 PolarHBondContact OE1-NE 3.12Å; E156-R164 IonicContact OE1-NH2 3.65Å; E156-R164 PolarHBondContact OE1-NH2 2.92Å; E156-R164 IonicContact OE2-NH2 2.79Å; E156-R164 PolarHBondContact OE2-NH2 3.27Å
157S98.6Very high98.6Very high2 Ų241.1 Ų41.11%0.01421%0.211CC..  trans-73.1176153.565.40000110.4Y119 T122 K159 D160 V161Y119-S157 WeakPolarHBondContact O-CB 3.44Å; T122-S157 WeakPolarHBondContact OG1-CB 3.33Å; S157-K159 PolarHBondContact OG-N 2.8Å; S157-D160 WeakPolarHBondContact CB-OD2 3.45Å; S157-D160 PolarHBondContact N-OD2 2.91Å; S157-D160 PolarHBondContact OG-N 3.1Å; S157-D160 PolarHBondContact OG-OD1 3.34Å; S157-D160 PolarHBondContact OG-OD2 3.32Å; S157-V161 WeakPolarHBondContact O-CG2 3.28Å; S157-V161 PolarHBondContact O-N 3.46Å
158L98.7Very high98.6Very high1 Ų140.6 Ų40.61%0.00521%0.206CC..Hα-helixtrans-70.4-27.8172.4-170.167.5000111.3Y119 V161 L162 N190 R193 A194 I207Y119-L158 HydrophobicContact CD2-CB 4.04Å; Y119-L158 HydrophobicContact CD2-CD2 4.17Å; Y119-L158 HydrophobicContact CD2-CG 4.18Å; Y119-L158 PolarHBondContact O-N 3.41Å; Y119-L158 VanDerWaalsContact O-N 3.13Å; L158-V161 WeakPolarHBondContact O-CB 3.46Å; L158-L162 PolarHBondContact O-N 2.96Å; L158-L162 VanDerWaalsContact O-N 3.09Å; L158-N190 HydrophobicContact CD1-CB 3.93Å; L158-N190 VanDerWaalsContact CD1-O 3.27Å; L158-N190 WeakPolarHBondContact CD1-O 3.3Å; L158-R193 HydrophobicContact CD1-CB 4.46Å; L158-A194 HydrophobicContact CD1-CB 3.91Å; L158-A194 HydrophobicContact CG-CB 4.35Å; L158-I207 HydrophobicContact CD2-CG1 3.67Å; L158-I207 HydrophobicContact CD2-CG2 4.3Å
159K98.8Very high98.6Very high82 Ų8237.8 Ų37.836%0.35719%0.188SC..Hα-helixtrans-62.3-50.6171.5-178.4-179.8176.6-168.40111.4Y119 S157 V161 L162 E163Y119-K159 HydrophobicContact CD1-CB 4.21Å; Y119-K159 HydrophobicContact CD2-CB 4.26Å; Y119-K159 HydrophobicContact CE1-CB 3.82Å; Y119-K159 HydrophobicContact CE1-CD 4.11Å; Y119-K159 HydrophobicContact CE1-CG 3.93Å; Y119-K159 HydrophobicContact CE2-CB 3.84Å; Y119-K159 HydrophobicContact CE2-CG 4.44Å; Y119-K159 HydrophobicContact CG-CB 4.44Å; Y119-K159 PolarHBondContact O-N 2.94Å; S157-K159 PolarHBondContact OG-N 2.8Å; K159-V161 PolarHBondContact O-N 3.19Å; K159-L162 WeakPolarHBondContact O-CA 3.17Å; K159-L162 WeakPolarHBondContact O-CB 3.29Å; K159-L162 PolarHBondContact O-N 3.07Å; K159-E163 WeakPolarHBondContact CE-OE1 3.49Å; K159-E163 IonicContact NZ-OE1 3.75Å; K159-E163 WeakPolarHBondContact O-CG 3.11Å; K159-E163 PolarHBondContact O-N 3.5Å
160D98.8Very high98.7Very high51 Ų5139.3 Ų39.327%0.27320%0.196SC..Hα-helixtrans-58.7-40.5178.7-54.9-37.9000110.8E156 S157 L162 E163 R164E156-D160 HydrophobicContact CB-CB 3.98Å; E156-D160 HydrophobicContact CG-CB 4.22Å; S157-D160 WeakPolarHBondContact CB-OD2 3.45Å; S157-D160 PolarHBondContact N-OD2 2.91Å; S157-D160 PolarHBondContact OG-N 3.1Å; S157-D160 PolarHBondContact OG-OD1 3.34Å; S157-D160 PolarHBondContact OG-OD2 3.32Å; D160-L162 VanDerWaalsContact C-N 3.35Å; D160-L162 PolarHBondContact O-N 2.71Å; D160-E163 PolarHBondContact O-N 3.03Å; D160-R164 WeakPolarHBondContact O-CG 3.43Å; D160-R164 PolarHBondContact O-N 3.43Å; D160-R164 VanDerWaalsContact O-N 3.12Å
161V98.9Very high98.7Very high0 Ų040.6 Ų40.60%020%0.198CC..Hα-helixtrans-56.5-47.8173.21690000111.4R90 E156 S157 L158 K159 R164 L165 A194R90-V161 HydrophobicContact CB-CG2 3.72Å; R90-V161 HydrophobicContact CG-CG2 3.81Å; E156-V161 HydrophobicContact CB-CG2 3.94Å; E156-V161 HydrophobicContact CG-CG2 4.48Å; S157-V161 WeakPolarHBondContact O-CG2 3.28Å; S157-V161 PolarHBondContact O-N 3.46Å; L158-V161 WeakPolarHBondContact O-CB 3.46Å; K159-V161 PolarHBondContact O-N 3.19Å; V161-R164 VanDerWaalsContact O-CD 3.29Å; V161-R164 WeakPolarHBondContact O-CD 3.49Å; V161-R164 WeakPolarHBondContact O-CG 3.44Å; V161-R164 PolarHBondContact O-N 3.47Å; V161-R164 PolarHBondContact O-NE 3.22Å; V161-L165 WeakPolarHBondContact O-CB 3.36Å; V161-L165 PolarHBondContact O-N 3.14Å; V161-A194 HydrophobicContact CB-CB 4.39Å; V161-A194 HydrophobicContact CG1-CB 3.66Å
162L98.8Very high98.7Very high16 Ų1640 Ų408%0.08419%0.191CC..Hα-helixtrans-65.2-40.9179.6-178.155.5000111.2L158 K159 D160 R164 L165 L166 A194 H198L158-L162 PolarHBondContact O-N 2.96Å; L158-L162 VanDerWaalsContact O-N 3.09Å; K159-L162 WeakPolarHBondContact O-CA 3.17Å; K159-L162 WeakPolarHBondContact O-CB 3.29Å; K159-L162 PolarHBondContact O-N 3.07Å; D160-L162 VanDerWaalsContact C-N 3.35Å; D160-L162 PolarHBondContact O-N 2.71Å; L162-R164 VanDerWaalsContact C-N 3.33Å; L162-R164 PolarHBondContact O-N 3.02Å; L162-L165 PolarHBondContact O-N 3.26Å; L162-L166 HydrophobicContact CD1-CB 4.11Å; L162-L166 WeakPolarHBondContact O-CB 3.21Å; L162-L166 PolarHBondContact O-N 3.02Å; L162-A194 HydrophobicContact CB-CB 4.15Å; L162-H198 HydrophobicContact CD1-CB 3.91Å; L162-H198 HydrophobicContact CD2-CB 4.33Å
163E98.8Very high98.7Very high112 Ų11240 Ų4052%0.52319%0.191SC..Hα-helixtrans-60.1-39.7179.1-71.9-179.9177.500112.7K159 D160 P167K159-E163 WeakPolarHBondContact CE-OE1 3.49Å; K159-E163 IonicContact NZ-OE1 3.75Å; K159-E163 WeakPolarHBondContact O-CG 3.11Å; K159-E163 PolarHBondContact O-N 3.5Å; D160-E163 PolarHBondContact O-N 3.03Å; E163-P167 WeakPolarHBondContact O-CD 3.26Å; E163-P167 WeakPolarHBondContact O-CG 3.39Å
164R98.8Very high98.8Very high18 Ų1839 Ų397%0.06818%0.184CC..Hα-helixtrans-82.4-24.11755976.4172.1168.7-6.1114.5W85 R86 N88 E89 E156 D160 V161 L162W85-R164 HydrophobicContact CH2-CB 3.93Å; W85-R164 HydrophobicContact CH2-CG 4.26Å; W85-R164 HydrophobicContact CZ3-CB 4.34Å; W85-R164 HydrophobicContact CZ3-CG 4.17Å; R86-R164 VanDerWaalsContact C-NH1 3.31Å; R86-R164 VanDerWaalsContact CD-O 3.29Å; R86-R164 WeakPolarHBondContact CD-O 3.37Å; R86-R164 WeakPolarHBondContact CG-O 3.27Å; R86-R164 PolarHBondContact NH1-O 3.24Å; R86-R164 PolarHBondContact O-NH1 3.06Å; N88-R164 PolarHBondContact O-NH1 3.44Å; N88-R164 PolarHBondContact O-NH2 3.44Å; E89-R164 PolarHBondContact O-NH2 2.99Å; E156-R164 WeakPolarHBondContact OE1-CG 3.18Å; E156-R164 IonicContact OE1-CZ 3.35Å; E156-R164 IonicContact OE1-NE 2.72Å; E156-R164 PolarHBondContact OE1-NE 3.12Å; E156-R164 IonicContact OE1-NH2 3.65Å; E156-R164 PolarHBondContact OE1-NH2 2.92Å; E156-R164 IonicContact OE2-NH2 2.79Å; E156-R164 PolarHBondContact OE2-NH2 3.27Å; D160-R164 WeakPolarHBondContact O-CG 3.43Å; D160-R164 PolarHBondContact O-N 3.43Å; D160-R164 VanDerWaalsContact O-N 3.12Å; V161-R164 VanDerWaalsContact O-CD 3.29Å; V161-R164 WeakPolarHBondContact O-CD 3.49Å; V161-R164 WeakPolarHBondContact O-CG 3.44Å; V161-R164 PolarHBondContact O-N 3.47Å; V161-R164 PolarHBondContact O-NE 3.22Å; L162-R164 VanDerWaalsContact C-N 3.33Å; L162-R164 PolarHBondContact O-N 3.02Å
165L98.9Very high98.8Very high2 Ų237.4 Ų37.41%0.0118%0.183CC..Hα-helixtrans-84.4-38.7-177.8-175.1154.5000111.7R86 L87 V161 L162 Y168 W169 L195R86-L165 WeakPolarHBondContact O-CB 3.48Å; R86-L165 WeakPolarHBondContact O-CG 3.32Å; L87-L165 HydrophobicContact CD2-CD1 4.03Å; L87-L165 HydrophobicContact CD2-CG 4.23Å; V161-L165 WeakPolarHBondContact O-CB 3.36Å; V161-L165 PolarHBondContact O-N 3.14Å; L162-L165 PolarHBondContact O-N 3.26Å; L165-Y168 WeakPolarHBondContact O-CA 3.27Å; L165-Y168 WeakPolarHBondContact O-CB 3.4Å; L165-Y168 PolarHBondContact O-N 3.48Å; L165-W169 HydrophobicContact CD2-CB 4.36Å; L165-W169 PolarHBondContact O-N 3.4Å; L165-L195 HydrophobicContact CD2-CB 4.09Å; L165-L195 HydrophobicContact CD2-CD1 3.88Å; L165-L195 HydrophobicContact CD2-CG 4.38Å
166L98.7Very high98.8Very high41 Ų4138 Ų3822%0.21518%0.183CC..Hα-helixtrans-61.1-39.2-173.6-174.360.5000113.7L162 Y168 W169 N170 H198L162-L166 HydrophobicContact CD1-CB 4.11Å; L162-L166 WeakPolarHBondContact O-CB 3.21Å; L162-L166 PolarHBondContact O-N 3.02Å; L166-Y168 VanDerWaalsContact C-N 3.31Å; L166-Y168 PolarHBondContact O-N 3.34Å; L166-W169 PolarHBondContact O-N 3.36Å; L166-N170 WeakPolarHBondContact O-CB 3.39Å; L166-N170 VanDerWaalsContact O-CG 3.32Å; L166-N170 PolarHBondContact O-N 2.98Å; L166-N170 PolarHBondContact O-ND2 3.16Å; L166-H198 WeakPolarHBondContact CD1-NE2 3.32Å
167P98.8Very high98.7Very high40 Ų4037.9 Ų37.926%0.2618%0.183SC..Hα-helixtrans-56.7-44170.6-26.835.8000112.3E163 W169 N170 E171E163-P167 WeakPolarHBondContact O-CD 3.26Å; E163-P167 WeakPolarHBondContact O-CG 3.39Å; P167-W169 PolarHBondContact O-N 3.22Å; P167-N170 PolarHBondContact O-N 3.24Å; P167-E171 VanDerWaalsContact O-CB 3.24Å; P167-E171 WeakPolarHBondContact O-CB 3.44Å; P167-E171 VanDerWaalsContact O-CG 3.25Å; P167-E171 WeakPolarHBondContact O-CG 3.29Å; P167-E171 PolarHBondContact O-N 3.24Å
168Y98.9Very high98.7Very high15 Ų1541.6 Ų41.66%0.05920%0.203CC..Hα-helixtrans-65.4-41.5178.4-166.7-110.6000112.5F56 E82 S84 R86 L87 L165 L166 R172 I173F56-Y168 HydrophobicContact CD1-CE1 4.03Å; E82-Y168 WeakPolarHBondContact CG-OH 3.43Å; E82-Y168 PolarHBondContact OE1-OH 2.97Å; E82-Y168 VanDerWaalsContact OE1-OH 3.1Å; S84-Y168 WeakPolarHBondContact CB-OH 3.45Å; S84-Y168 WeakPolarHBondContact OG-CE2 3.46Å; R86-Y168 HydrophobicContact CB-CD2 4.5Å; R86-Y168 HydrophobicContact CB-CG 4.04Å; L87-Y168 HydrophobicContact CD1-CD1 4.17Å; L87-Y168 HydrophobicContact CD1-CE1 3.69Å; L87-Y168 HydrophobicContact CD2-CD1 4.42Å; L87-Y168 HydrophobicContact CG-CD1 3.93Å; L87-Y168 HydrophobicContact CG-CE1 3.92Å; L165-Y168 WeakPolarHBondContact O-CA 3.27Å; L165-Y168 WeakPolarHBondContact O-CB 3.4Å; L165-Y168 PolarHBondContact O-N 3.48Å; L166-Y168 VanDerWaalsContact C-N 3.31Å; L166-Y168 PolarHBondContact O-N 3.34Å; Y168-R172 HydrophobicContact CD2-CB 4.17Å; Y168-R172 HydrophobicContact CD2-CG 3.7Å; Y168-R172 HydrophobicContact CE2-CB 4.02Å; Y168-R172 HydrophobicContact CE2-CG 3.65Å; Y168-R172 HydrophobicContact CG-CG 4.49Å; Y168-R172 WeakPolarHBondContact O-CB 3.3Å; Y168-R172 PolarHBondContact O-N 3.18Å; Y168-I173 HydrophobicContact CD1-CD1 3.93Å; Y168-I173 HydrophobicContact CD1-CG1 4.25Å; Y168-I173 HydrophobicContact CE1-CD1 4Å; Y168-I173 HydrophobicContact CE1-CG1 4.21Å; Y168-I173 PolarHBondContact O-N 3.07Å
169W98.8Very high98.6Very high3 Ų349.4 Ų49.41%0.01123%0.232CC..Iπ-helixtrans-57.4-54.7172167.9-100.4000110.7L6 L165 L166 P167 E171 I173 A174 V177 I185 L195 L199 L222 L226L6-W169 HydrophobicContact CD1-CH2 3.89Å; L6-W169 HydrophobicContact CD1-CZ3 3.71Å; L165-W169 HydrophobicContact CD2-CB 4.36Å; L165-W169 PolarHBondContact O-N 3.4Å; L166-W169 PolarHBondContact O-N 3.36Å; P167-W169 PolarHBondContact O-N 3.22Å; W169-E171 PolarHBondContact O-N 3.38Å; W169-I173 HydrophobicContact CD2-CB 4.43Å; W169-I173 HydrophobicContact CE3-CB 3.72Å; W169-I173 HydrophobicContact CE3-CD1 4.22Å; W169-I173 HydrophobicContact CE3-CG2 3.6Å; W169-I173 HydrophobicContact CH2-CG2 4.42Å; W169-I173 HydrophobicContact CZ3-CB 4.11Å; W169-I173 HydrophobicContact CZ3-CG2 3.47Å; W169-I173 VanDerWaalsContact CZ3-CG2 3.47Å; W169-I173 PolarHBondContact O-N 3.48Å; W169-I173 VanDerWaalsContact O-N 3.11Å; W169-A174 HydrophobicContact CD2-CB 4.43Å; W169-A174 HydrophobicContact CZ2-CB 4.3Å; W169-A174 VanDerWaalsContact O-CB 3.23Å; W169-A174 WeakPolarHBondContact O-CB 3.26Å; W169-A174 PolarHBondContact O-N 3.47Å; W169-V177 HydrophobicContact CH2-CG2 4.3Å; W169-I185 HydrophobicContact CE3-CD1 4.44Å; W169-I185 HydrophobicContact CZ3-CD1 4.12Å; W169-L195 HydrophobicContact CB-CD1 4.24Å; W169-L195 HydrophobicContact CD2-CD1 3.81Å; W169-L195 HydrophobicContact CE3-CD1 3.89Å; W169-L195 HydrophobicContact CE3-CD2 4Å; W169-L195 HydrophobicContact CG-CD1 3.94Å; W169-L195 HydrophobicContact CZ3-CD2 4.3Å; W169-L199 HydrophobicContact CH2-CD1 4.01Å; W169-L199 HydrophobicContact CH2-CD2 4.25Å; W169-L199 HydrophobicContact CZ2-CD1 4.1Å; W169-L199 HydrophobicContact CZ2-CD2 3.51Å; W169-L199 HydrophobicContact CZ2-CG 4.45Å; W169-L199 HydrophobicContact CZ3-CD1 4.4Å; W169-L222 HydrophobicContact CH2-CD1 4.05Å; W169-L222 HydrophobicContact CZ2-CD1 4.24Å; W169-L226 HydrophobicContact CZ2-CD1 4.32Å
170N98.8Very high98.6Very high84 Ų8448 Ų4845%0.44924%0.241SC..Iπ-helixtrans-64.9-37.8-175-71.8-23.5000113.5L166 P167 P175L166-N170 WeakPolarHBondContact O-CB 3.39Å; L166-N170 VanDerWaalsContact O-CG 3.32Å; L166-N170 PolarHBondContact O-N 2.98Å; L166-N170 PolarHBondContact O-ND2 3.16Å; P167-N170 PolarHBondContact O-N 3.24Å; N170-P175 WeakPolarHBondContact O-CD 3.32Å; N170-P175 WeakPolarHBondContact O-CG 3.35Å
171E98.7Very high98.5Very high138 Ų13849 Ų4965%0.64524%0.243SC*.Iπ-helixtrans-92.7-28.6-171.2-65.7169-155.200113.4P167 W169P167-E171 VanDerWaalsContact O-CB 3.24Å; P167-E171 WeakPolarHBondContact O-CB 3.44Å; P167-E171 VanDerWaalsContact O-CG 3.25Å; P167-E171 WeakPolarHBondContact O-CG 3.29Å; P167-E171 PolarHBondContact O-N 3.24Å; W169-E171 PolarHBondContact O-N 3.38Å
172R98.7Very high98.5Very high115 Ų11550.3 Ų50.343%0.43425%0.253SS..Iπ-helixtrans-116.9-42.2-172.9-56-65.6-65.4159.61.1113.5F56 E82 Y168 E176F56-R172 HydrophobicContact CE1-CB 4.34Å; E82-R172 VanDerWaalsContact CD-NH2 3.29Å; E82-R172 IonicContact OE1-CZ 3.3Å; E82-R172 IonicContact OE1-NE 3.17Å; E82-R172 PolarHBondContact OE1-NE 3.03Å; E82-R172 IonicContact OE1-NH2 3.44Å; E82-R172 PolarHBondContact OE1-NH2 3.41Å; E82-R172 IonicContact OE2-CZ 2.72Å; E82-R172 IonicContact OE2-NE 2.68Å; E82-R172 IonicContact OE2-NH2 3.6Å; E82-R172 PolarHBondContact OE2-NH2 3.13Å; Y168-R172 HydrophobicContact CD2-CB 4.17Å; Y168-R172 HydrophobicContact CD2-CG 3.7Å; Y168-R172 HydrophobicContact CE2-CB 4.02Å; Y168-R172 HydrophobicContact CE2-CG 3.65Å; Y168-R172 HydrophobicContact CG-CG 4.49Å; Y168-R172 WeakPolarHBondContact O-CB 3.3Å; Y168-R172 PolarHBondContact O-N 3.18Å; R172-E176 WeakPolarHBondContact O-CG 3.28Å
173I98.8Very high98.5Very high1 Ų149.6 Ų49.61%0.00525%0.25CC..Iπ-helixtrans-93.4-53.4-171.3-51.6-179000111.7F56 L87 Y168 W169 P175 E176 V177 V183 I185F56-I173 HydrophobicContact CB-CD1 4.22Å; F56-I173 HydrophobicContact CD1-CD1 4.38Å; F56-I173 HydrophobicContact CD1-CG1 3.96Å; F56-I173 HydrophobicContact CD2-CD1 4.3Å; F56-I173 HydrophobicContact CD2-CG1 3.95Å; F56-I173 HydrophobicContact CD2-CG2 4.12Å; F56-I173 HydrophobicContact CE1-CG1 4.02Å; F56-I173 HydrophobicContact CE2-CB 4.3Å; F56-I173 HydrophobicContact CE2-CG1 4.02Å; F56-I173 HydrophobicContact CE2-CG2 4.05Å; F56-I173 HydrophobicContact CG-CD1 4.05Å; F56-I173 HydrophobicContact CG-CG1 3.91Å; F56-I173 HydrophobicContact CZ-CB 4.5Å; F56-I173 HydrophobicContact CZ-CG1 4.04Å; L87-I173 HydrophobicContact CD1-CD1 4.47Å; Y168-I173 HydrophobicContact CD1-CD1 3.93Å; Y168-I173 HydrophobicContact CD1-CG1 4.25Å; Y168-I173 HydrophobicContact CE1-CD1 4Å; Y168-I173 HydrophobicContact CE1-CG1 4.21Å; Y168-I173 PolarHBondContact O-N 3.07Å; W169-I173 HydrophobicContact CD2-CB 4.43Å; W169-I173 HydrophobicContact CE3-CB 3.72Å; W169-I173 HydrophobicContact CE3-CD1 4.22Å; W169-I173 HydrophobicContact CE3-CG2 3.6Å; W169-I173 HydrophobicContact CH2-CG2 4.42Å; W169-I173 HydrophobicContact CZ3-CB 4.11Å; W169-I173 HydrophobicContact CZ3-CG2 3.47Å; W169-I173 VanDerWaalsContact CZ3-CG2 3.47Å; W169-I173 PolarHBondContact O-N 3.48Å; W169-I173 VanDerWaalsContact O-N 3.11Å; I173-P175 VanDerWaalsContact C-CD 3.44Å; I173-E176 WeakPolarHBondContact O-CB 3.35Å; I173-E176 PolarHBondContact O-N 3.46Å; I173-V177 HydrophobicContact CG2-CG2 4.38Å; I173-V177 PolarHBondContact O-N 3.24Å; I173-V177 VanDerWaalsContact O-N 3.14Å; I173-V183 HydrophobicContact CG2-CG1 4.11Å; I173-I185 HydrophobicContact CD1-CD1 4.05Å; I173-I185 HydrophobicContact CG2-CD1 4.18Å
174A98.6Very high98.5Very high5 Ų544.2 Ų44.24%0.04123%0.225CC..Hα-helixtrans-53.3-42.1-178.700000113.9W169 E176 V177 L178 L226W169-A174 HydrophobicContact CD2-CB 4.43Å; W169-A174 HydrophobicContact CZ2-CB 4.3Å; W169-A174 VanDerWaalsContact O-CB 3.23Å; W169-A174 WeakPolarHBondContact O-CB 3.26Å; W169-A174 PolarHBondContact O-N 3.47Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 PolarHBondContact O-N 2.85Å; A174-V177 PolarHBondContact O-N 2.99Å; A174-L178 WeakPolarHBondContact O-CG 3.35Å; A174-L178 PolarHBondContact O-N 3.37Å; A174-L226 HydrophobicContact CB-CD1 3.4Å
175P98.7Very high98.5Very high37 Ų3743.5 Ų43.524%0.2422%0.222CC..Hα-helixtrans-62.7-33.3177.4-24.136.5000112.9N170 I173 R179N170-P175 WeakPolarHBondContact O-CD 3.32Å; N170-P175 WeakPolarHBondContact O-CG 3.35Å; I173-P175 VanDerWaalsContact C-CD 3.44Å; P175-R179 WeakPolarHBondContact O-CG 3.19Å; P175-R179 PolarHBondContact O-N 3.27Å
176E98.6Very high98.5Very high32 Ų3243.4 Ų43.415%0.1522%0.221CC..Hα-helixtrans-72.3-41.5178.1-55.5-57.8155.700111L54 F56 R172 I173 A174 L178 R179 K181 V183L54-E176 HydrophobicContact CD1-CB 3.88Å; L54-E176 HydrophobicContact CD1-CG 3.51Å; F56-E176 HydrophobicContact CZ-CG 4.47Å; R172-E176 WeakPolarHBondContact O-CG 3.28Å; I173-E176 WeakPolarHBondContact O-CB 3.35Å; I173-E176 PolarHBondContact O-N 3.46Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 PolarHBondContact O-N 2.85Å; E176-L178 VanDerWaalsContact C-N 3.35Å; E176-L178 PolarHBondContact O-N 2.81Å; E176-R179 WeakPolarHBondContact O-CB 3.41Å; E176-R179 PolarHBondContact O-N 3.23Å; E176-R179 IonicContact OE1-CZ 3.97Å; E176-R179 IonicContact OE1-NH1 2.69Å; E176-R179 PolarHBondContact OE1-NH1 3.38Å; E176-R179 IonicContact OE2-NH1 2.95Å; E176-R179 PolarHBondContact OE2-NH1 3.35Å; E176-K181 HydrophobicContact CB-CB 4.48Å; E176-K181 HydrophobicContact CB-CD 4.15Å; E176-K181 WeakPolarHBondContact O-CB 3.5Å; E176-K181 PolarHBondContact O-N 2.82Å; E176-K181 VanDerWaalsContact OE2-CD 3.3Å; E176-K181 WeakPolarHBondContact OE2-CD 3.13Å; E176-K181 VanDerWaalsContact OE2-CE 3.26Å; E176-K181 WeakPolarHBondContact OE2-CE 3.25Å; E176-K181 IonicContact OE2-NZ 2.75Å; E176-K181 PolarHBondContact OE2-NZ 2.93Å; E176-V183 HydrophobicContact CB-CG2 4.4Å
177V98.3Very high98.5Very high1 Ų141.5 Ų41.51%0.00621%0.212CC..Hα-helixtrans-59.8-45173.3179.10000110.9Y4 L6 W169 I173 A174 R179 G180 V183 L222 L226Y4-V177 HydrophobicContact CD1-CG1 4.42Å; Y4-V177 WeakPolarHBondContact CD1-O 3.49Å; Y4-V177 HydrophobicContact CD2-CG1 4.33Å; Y4-V177 VanDerWaalsContact CE1-O 3.29Å; Y4-V177 WeakPolarHBondContact CE1-O 3.47Å; Y4-V177 HydrophobicContact CG-CG1 3.89Å; L6-V177 HydrophobicContact CD1-CG2 3.93Å; W169-V177 HydrophobicContact CH2-CG2 4.3Å; I173-V177 HydrophobicContact CG2-CG2 4.38Å; I173-V177 PolarHBondContact O-N 3.24Å; I173-V177 VanDerWaalsContact O-N 3.14Å; A174-V177 PolarHBondContact O-N 2.99Å; V177-R179 PolarHBondContact O-N 2.82Å; V177-G180 WeakPolarHBondContact O-CA 3.4Å; V177-G180 PolarHBondContact O-N 2.75Å; V177-V183 HydrophobicContact CG2-CB 4.44Å; V177-V183 HydrophobicContact CG2-CG2 4.06Å; V177-L222 HydrophobicContact CG1-CD1 4.21Å; V177-L226 HydrophobicContact CB-CD2 4.24Å; V177-L226 HydrophobicContact CG1-CD2 3.67Å
178L97.8Very high98.5Very high80 Ų8039.6 Ų39.642%0.41920%0.199SC..Hα-helixtrans-62.9-28.3178-74.7171.5000113.5Y4 A174 E176 G180 L226Y4-L178 HydrophobicContact CE2-CD2 3.92Å; Y4-L178 PolarHBondContact OH-O 3.38Å; A174-L178 WeakPolarHBondContact O-CG 3.35Å; A174-L178 PolarHBondContact O-N 3.37Å; E176-L178 VanDerWaalsContact C-N 3.35Å; E176-L178 PolarHBondContact O-N 2.81Å; L178-G180 PolarHBondContact O-N 3.37Å; L178-L226 HydrophobicContact CD1-CD1 4.13Å; L178-L226 HydrophobicContact CD2-CD1 4.28Å; L178-L226 HydrophobicContact CD2-CD2 3.82Å; L178-L226 HydrophobicContact CD2-CG 3.91Å; L178-L226 HydrophobicContact CG-CD1 3.93Å; L178-L226 HydrophobicContact CG-CD2 4.05Å; L178-L226 HydrophobicContact CG-CG 4.11Å
179R97.9Very high98.4Very high165 Ų16539 Ų3962%0.62320%0.198SC*.THydrogen-bonded Turntrans-75.40.7172.2-70.3177.8-165.2122.63113.3P175 E176 V177 K181P175-R179 WeakPolarHBondContact O-CG 3.19Å; P175-R179 PolarHBondContact O-N 3.27Å; E176-R179 WeakPolarHBondContact O-CB 3.41Å; E176-R179 PolarHBondContact O-N 3.23Å; E176-R179 IonicContact OE1-CZ 3.97Å; E176-R179 IonicContact OE1-NH1 2.69Å; E176-R179 PolarHBondContact OE1-NH1 3.38Å; E176-R179 IonicContact OE2-NH1 2.95Å; E176-R179 PolarHBondContact OE2-NH1 3.35Å; V177-R179 PolarHBondContact O-N 2.82Å; R179-K181 VanDerWaalsContact C-N 3.34Å
180G97.1Very high98.4Very high53 Ų5339.1 Ų39.155%0.54620%0.199SC..THydrogen-bonded Turntrans80.613.2179.800000113.9V177 L178V177-G180 WeakPolarHBondContact O-CA 3.4Å; V177-G180 PolarHBondContact O-N 2.75Å; L178-G180 PolarHBondContact O-N 3.37Å
181K98.1Very high98.4Very high71 Ų7135.1 Ų35.131%0.30918%0.178SC..  trans-70.9140.4177.3-70.2-172179.9171.30111.4D53 L54 E176 R179 V183D53-K181 HydrophobicContact CB-CB 3.87Å; D53-K181 HydrophobicContact CB-CD 4.03Å; D53-K181 HydrophobicContact CB-CG 4Å; D53-K181 VanDerWaalsContact OD2-CA 3.24Å; D53-K181 WeakPolarHBondContact OD2-CA 3.46Å; L54-K181 HydrophobicContact CD1-CD 3.88Å; L54-K181 HydrophobicContact CG-CD 4.3Å; E176-K181 HydrophobicContact CB-CB 4.48Å; E176-K181 HydrophobicContact CB-CD 4.15Å; E176-K181 WeakPolarHBondContact O-CB 3.5Å; E176-K181 PolarHBondContact O-N 2.82Å; E176-K181 VanDerWaalsContact OE2-CD 3.3Å; E176-K181 WeakPolarHBondContact OE2-CD 3.13Å; E176-K181 VanDerWaalsContact OE2-CE 3.26Å; E176-K181 WeakPolarHBondContact OE2-CE 3.25Å; E176-K181 IonicContact OE2-NZ 2.75Å; E176-K181 PolarHBondContact OE2-NZ 2.93Å; R179-K181 VanDerWaalsContact C-N 3.34Å; K181-V183 HydrophobicContact CB-CG2 4.48Å; K181-V183 PolarHBondContact O-N 3.14Å
182A97.9Very high98.4Very high27 Ų2728.7 Ų28.722%0.22315%0.148CC..  trans-78.2114.517000000110E51 F52 D53 L54E51-A182 WeakPolarHBondContact O-CB 3.46Å; F52-A182 HydrophobicContact CD1-CB 4.45Å; D53-A182 PolarHBondContact N-O 2.89Å; D53-A182 PolarHBondContact OD2-N 2.9Å; L54-A182 PolarHBondContact N-O 3.1Å
183V98.6Very high98.4Very high1 Ų123.4 Ų23.41%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-111.7134.2-174.3175.50000111.3L6 I7 L54 F56 I173 E176 V177 K181 I185L6-V183 HydrophobicContact CD1-CB 4.19Å; L6-V183 HydrophobicContact CD1-CG1 4.16Å; I7-V183 PolarHBondContact N-O 3Å; I7-V183 VanDerWaalsContact N-O 3.08Å; L54-V183 WeakPolarHBondContact O-CA 3.22Å; F56-V183 HydrophobicContact CD2-CG1 3.61Å; F56-V183 HydrophobicContact CE2-CG1 3.86Å; F56-V183 HydrophobicContact CE2-CG2 4.49Å; I173-V183 HydrophobicContact CG2-CG1 4.11Å; E176-V183 HydrophobicContact CB-CG2 4.4Å; V177-V183 HydrophobicContact CG2-CB 4.44Å; V177-V183 HydrophobicContact CG2-CG2 4.06Å; K181-V183 HydrophobicContact CB-CG2 4.48Å; K181-V183 PolarHBondContact O-N 3.14Å; V183-I185 HydrophobicContact CG1-CG1 4.1Å
184L98.9Very high98.4Very high0 Ų023.3 Ų23.30%013%0.128CC..EExtended strand (participates in β ladder)trans-104.4129.2165.817561000110.4I7 L9 F52 L54 V55 F56 I70I7-L184 HydrophobicContact CB-CD1 4.12Å; I7-L184 HydrophobicContact CG2-CD1 3.62Å; I7-L184 CarbonylContact O-C 3.55Å; I7-L184 WeakPolarHBondContact O-CA 3.44Å; L9-L184 HydrophobicContact CD2-CD1 4.05Å; F52-L184 HydrophobicContact CD1-CB 3.73Å; F52-L184 HydrophobicContact CD2-CB 4.43Å; F52-L184 HydrophobicContact CE1-CB 3.69Å; F52-L184 HydrophobicContact CE2-CB 4.4Å; F52-L184 HydrophobicContact CE2-CD2 4.36Å; F52-L184 HydrophobicContact CG-CB 4.12Å; F52-L184 HydrophobicContact CZ-CB 4.04Å; F52-L184 HydrophobicContact CZ-CD1 4.32Å; L54-L184 PolarHBondContact O-N 2.88Å; V55-L184 CarbonylContact C-O 3.58Å; V55-L184 WeakPolarHBondContact CA-O 3.44Å; V55-L184 HydrophobicContact CB-CB 4.48Å; V55-L184 HydrophobicContact CG1-CB 4.19Å; V55-L184 HydrophobicContact CG1-CD2 3.99Å; V55-L184 HydrophobicContact CG1-CG 4.05Å; V55-L184 HydrophobicContact CG2-CB 4.09Å; V55-L184 HydrophobicContact CG2-CD2 4.14Å; F56-L184 PolarHBondContact N-O 3.29Å; I70-L184 HydrophobicContact CG2-CD2 3.87Å
185I98.9Very high98.4Very high2 Ų223.2 Ų23.21%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-111.9105.7169.5-53.7-179.3000109.6L6 I7 M8 L9 F56 L87 W169 I173 V183 A187 L195L6-I185 HydrophobicContact CD1-CD1 3.93Å; L6-I185 HydrophobicContact CD1-CG1 4.37Å; L6-I185 HydrophobicContact CD2-CD1 4.08Å; L6-I185 HydrophobicContact CD2-CG1 4.4Å; L6-I185 HydrophobicContact CG-CD1 4.5Å; I7-I185 PolarHBondContact O-N 3.01Å; M8-I185 CarbonylContact C-O 3.56Å; M8-I185 VanDerWaalsContact CA-O 3.25Å; M8-I185 WeakPolarHBondContact CA-O 3.45Å; M8-I185 HydrophobicContact CB-CB 3.88Å; L9-I185 PolarHBondContact N-O 3.15Å; F56-I185 WeakPolarHBondContact O-CA 3.04Å; L87-I185 HydrophobicContact CD1-CG2 4.36Å; L87-I185 HydrophobicContact CD2-CG2 4.36Å; W169-I185 HydrophobicContact CE3-CD1 4.44Å; W169-I185 HydrophobicContact CZ3-CD1 4.12Å; I173-I185 HydrophobicContact CD1-CD1 4.05Å; I173-I185 HydrophobicContact CG2-CD1 4.18Å; V183-I185 HydrophobicContact CG1-CG1 4.1Å; I185-A187 HydrophobicContact CG2-CB 4.02Å; I185-L195 HydrophobicContact CD1-CD2 3.78Å
186S98.9Very high98.4Very high0 Ų021.5 Ų21.50%012%0.115CC..EExtended strand (participates in β ladder)trans-92.5106170.8-178.60000109.5F56 T57 S63F56-S186 PolarHBondContact O-N 2.96Å; T57-S186 VanDerWaalsContact CA-O 3.31Å; T57-S186 WeakPolarHBondContact CA-O 3.43Å; S63-S186 WeakPolarHBondContact CB-O 3.48Å; S63-S186 WeakPolarHBondContact O-CB 3.49Å; S63-S186 PolarHBondContact O-OG 3.1Å
187A98.8Very high98.4Very high1 Ų120.9 Ų20.91%0.00811%0.112CC..EExtended strand (participates in β ladder)trans-136.3-146.8-172.500000111.8L9 H11 I185L9-A187 CarbonylContact O-C 3.57Å; L9-A187 PolarHBondContact O-N 3.36Å; H11-A187 PolarHBondContact CD2-O 2.92Å; H11-A187 PolarHBondContact N-O 3.34Å; I185-A187 HydrophobicContact CG2-CB 4.02Å
188H98.8Very high98.4Very high0 Ų023 Ų230%012%0.122CC..  trans-130.5177.6-171-53.1-86.4000112.1H11 S58 R62 L87 E89 S191 S192H11-H188 AromaticContact CD2-CE1 3.6Å; H11-H188 AromaticContact CD2-CG 3.95Å; H11-H188 AromaticContact CD2-ND1 3.02Å; H11-H188 PolarHBondContact CD2-ND1 3.4Å; H11-H188 AromaticContact NE2-CE1 3.75Å; H11-H188 AromaticContact NE2-ND1 2.96Å; H11-H188 PolarHBondContact NE2-ND1 2.92Å; S58-H188 VanDerWaalsContact CB-NE2 3.31Å; S58-H188 WeakPolarHBondContact CB-NE2 3.33Å; S58-H188 PolarHBondContact OG-NE2 3.46Å; R62-H188 PolarHBondContact NE-CE1 3.5Å; L87-H188 PolarHBondContact O-CD2 3.43Å; E89-H188 HydrophobicContact CB-CB 3.66Å; E89-H188 VanDerWaalsContact CD-CB 3.42Å; E89-H188 HydrophobicContact CG-CB 4.03Å; E89-H188 PolarHBondContact N-CD2 2.97Å; E89-H188 WeakPolarHBondContact OE2-CB 3.46Å; H188-S191 PolarHBondContact N-OG 2.98Å; H188-S192 WeakPolarHBondContact O-CB 3.46Å; H188-S192 PolarHBondContact O-N 3.36Å; H188-S192 VanDerWaalsContact O-N 3.08Å; H188-S192 PolarHBondContact O-OG 3.39Å
189G97.8Very high98.5Very high4 Ų419.3 Ų19.34%0.04110%0.103CC..Hα-helixtrans-61.7-54.2-174.400000112.4E89 R193E89-G189 PolarHBondContact OE2-N 3.47Å; E89-G189 VanDerWaalsContact OE2-N 3.07Å; G189-R193 WeakPolarHBondContact O-CG 3.38Å; G189-R193 PolarHBondContact O-N 2.76Å; G189-R193 VanDerWaalsContact O-N 3.16Å
190N98.5Very high98.5Very high4 Ų413.7 Ų13.72%0.0218%0.083CC..Hα-helixtrans-84.9-30.1-174.9-63.9-43.3000113.4E89 R90 Y92 L158 R193 A194E89-N190 WeakPolarHBondContact OE1-CA 3.44Å; E89-N190 WeakPolarHBondContact OE1-CB 3.33Å; E89-N190 PolarHBondContact OE1-N 2.98Å; R90-N190 HydrophobicContact CB-CB 3.72Å; Y92-N190 PolarHBondContact OH-ND2 2.75Å; L158-N190 HydrophobicContact CD1-CB 3.93Å; L158-N190 VanDerWaalsContact CD1-O 3.27Å; L158-N190 WeakPolarHBondContact CD1-O 3.3Å; N190-R193 PolarHBondContact O-N 3.38Å; N190-R193 PolarHBondContact OD1-NH1 3.42Å; N190-A194 WeakPolarHBondContact O-CB 3.41Å; N190-A194 PolarHBondContact O-N 3.19Å
191S98.8Very high98.5Very high1 Ų113.9 Ų13.91%0.0079%0.085CC..Hα-helixtrans-66.1-3917351.10000112.2L87 N88 H188 A194 L195L87-S191 PolarHBondContact O-OG 2.82Å; L87-S191 VanDerWaalsContact O-OG 3.08Å; N88-S191 VanDerWaalsContact O-CB 3.31Å; N88-S191 WeakPolarHBondContact O-CB 3.5Å; N88-S191 PolarHBondContact O-OG 2.95Å; H188-S191 PolarHBondContact N-OG 2.98Å; S191-A194 PolarHBondContact O-N 3.5Å; S191-L195 PolarHBondContact O-N 3.38Å; S191-L195 VanDerWaalsContact O-N 3.16Å
192S98.8Very high98.5Very high3 Ų311.6 Ų11.62%0.0218%0.076CC..Hα-helixtrans-66.8-41.6171.9-60.70000112H188 A194 L195 L196 L212H188-S192 WeakPolarHBondContact O-CB 3.46Å; H188-S192 PolarHBondContact O-N 3.36Å; H188-S192 VanDerWaalsContact O-N 3.08Å; H188-S192 PolarHBondContact O-OG 3.39Å; S192-A194 VanDerWaalsContact C-N 3.33Å; S192-A194 PolarHBondContact O-N 2.93Å; S192-L195 PolarHBondContact O-N 3.4Å; S192-L196 WeakPolarHBondContact O-CG 3.33Å; S192-L196 PolarHBondContact O-N 3.03Å; S192-L212 VanDerWaalsContact CB-CD1 3.5Å
193R98.6Very high98.5Very high3 Ų312 Ų121%0.0118%0.077CC..Hα-helixtrans-58.4-42.6174-75.9170.668.6-116.9-7.8112.6R117 L158 G189 N190 L195 L196 K197 I207 I210 L212R117-R193 PolarHBondContact O-NH2 3.47Å; L158-R193 HydrophobicContact CD1-CB 4.46Å; G189-R193 WeakPolarHBondContact O-CG 3.38Å; G189-R193 PolarHBondContact O-N 2.76Å; G189-R193 VanDerWaalsContact O-N 3.16Å; N190-R193 PolarHBondContact O-N 3.38Å; N190-R193 PolarHBondContact OD1-NH1 3.42Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L196 PolarHBondContact O-N 2.75Å; R193-K197 WeakPolarHBondContact O-CB 3.45Å; R193-K197 PolarHBondContact O-N 2.94Å; R193-I207 HydrophobicContact CB-CD1 4.49Å; R193-I207 PolarHBondContact NH2-O 3.03Å; R193-I210 WeakPolarHBondContact CD-O 3.11Å; R193-I210 HydrophobicContact CG-CG2 4.3Å; R193-I210 PolarHBondContact NE-O 3.39Å; R193-L212 HydrophobicContact CG-CD1 3.89Å; R193-L212 HydrophobicContact CG-CG 3.92Å
194A98.8Very high98.4Very high0 Ų015 Ų150%09%0.093CC..Hα-helixtrans-61.1-44.2177.800000111.3L158 V161 L162 N190 S191 S192 K197 H198L158-A194 HydrophobicContact CD1-CB 3.91Å; L158-A194 HydrophobicContact CG-CB 4.35Å; V161-A194 HydrophobicContact CB-CB 4.39Å; V161-A194 HydrophobicContact CG1-CB 3.66Å; L162-A194 HydrophobicContact CB-CB 4.15Å; N190-A194 WeakPolarHBondContact O-CB 3.41Å; N190-A194 PolarHBondContact O-N 3.19Å; S191-A194 PolarHBondContact O-N 3.5Å; S192-A194 VanDerWaalsContact C-N 3.33Å; S192-A194 PolarHBondContact O-N 2.93Å; A194-K197 WeakPolarHBondContact O-CB 3.46Å; A194-K197 PolarHBondContact O-N 3.47Å; A194-H198 PolarHBondContact O-N 2.73Å
195L98.8Very high98.2Very high3 Ų321.7 Ų21.72%0.01612%0.124CC..Hα-helixtrans-67.2-44.2177.7-174.957.2000112.1M8 L165 W169 I185 S191 S192 R193 K197 H198 L199M8-L195 HydrophobicContact CE-CD2 3.64Å; M8-L195 HydrophobicContact CE-CG 4.02Å; L165-L195 HydrophobicContact CD2-CB 4.09Å; L165-L195 HydrophobicContact CD2-CD1 3.88Å; L165-L195 HydrophobicContact CD2-CG 4.38Å; W169-L195 HydrophobicContact CB-CD1 4.24Å; W169-L195 HydrophobicContact CD2-CD1 3.81Å; W169-L195 HydrophobicContact CE3-CD1 3.89Å; W169-L195 HydrophobicContact CE3-CD2 4Å; W169-L195 HydrophobicContact CG-CD1 3.94Å; W169-L195 HydrophobicContact CZ3-CD2 4.3Å; I185-L195 HydrophobicContact CD1-CD2 3.78Å; S191-L195 PolarHBondContact O-N 3.38Å; S191-L195 VanDerWaalsContact O-N 3.16Å; S192-L195 PolarHBondContact O-N 3.4Å; R193-L195 VanDerWaalsContact C-N 3.34Å; L195-K197 VanDerWaalsContact C-N 3.31Å; L195-K197 PolarHBondContact O-N 3.07Å; L195-H198 WeakPolarHBondContact O-CB 3.14Å; L195-H198 PolarHBondContact O-N 2.81Å; L195-H198 VanDerWaalsContact O-N 3.14Å; L195-L199 HydrophobicContact CD1-CD1 3.85Å; L195-L199 HydrophobicContact CD1-CG 4.01Å; L195-L199 HydrophobicContact CD2-CD1 4.42Å; L195-L199 HydrophobicContact CG-CD1 3.78Å; L195-L199 HydrophobicContact CG-CG 4.32Å; L195-L199 WeakPolarHBondContact O-CG 3.35Å; L195-L199 PolarHBondContact O-N 2.79Å
196L98.6Very high98Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-58.4-43.1174.2-68.5176.8000111.5M8 S192 R193 H198 L199 E200 L212 L220 H232M8-L196 HydrophobicContact CE-CD2 4.04Å; M8-L196 HydrophobicContact SD-CD2 3.61Å; M8-L196 HydrophobicContact SD-CG 3.86Å; S192-L196 WeakPolarHBondContact O-CG 3.33Å; S192-L196 PolarHBondContact O-N 3.03Å; R193-L196 PolarHBondContact O-N 2.75Å; L196-H198 PolarHBondContact O-N 3.22Å; L196-L199 PolarHBondContact O-N 3.1Å; L196-E200 WeakPolarHBondContact CD2-OE1 3.48Å; L196-E200 WeakPolarHBondContact O-CB 3.36Å; L196-E200 PolarHBondContact O-N 2.75Å; L196-L212 HydrophobicContact CD1-CD1 4.08Å; L196-L212 HydrophobicContact CD1-CD2 3.86Å; L196-L220 HydrophobicContact CD2-CD1 4.46Å; L196-L220 HydrophobicContact CD2-CD2 4.24Å; L196-H232 HydrophobicContact CD2-CB 4.05Å
197K98.6Very high97.9Very high20 Ų2026 Ų269%0.08715%0.147CC..Hα-helixtrans-52.5-45.8175.2-169.2-165.9-172.2-60.60111.6Y119 R193 A194 L195 G201 I202 D204 I207Y119-K197 HydrophobicContact CD2-CD 3.72Å; Y119-K197 HydrophobicContact CE2-CD 3.51Å; Y119-K197 VanDerWaalsContact CE2-CE 3.49Å; R193-K197 WeakPolarHBondContact O-CB 3.45Å; R193-K197 PolarHBondContact O-N 2.94Å; A194-K197 WeakPolarHBondContact O-CB 3.46Å; A194-K197 PolarHBondContact O-N 3.47Å; L195-K197 VanDerWaalsContact C-N 3.31Å; L195-K197 PolarHBondContact O-N 3.07Å; K197-G201 CarbonylContact O-C 3.56Å; K197-G201 WeakPolarHBondContact O-CA 3.43Å; K197-G201 PolarHBondContact O-N 3.33Å; K197-G201 VanDerWaalsContact O-N 3.11Å; K197-I202 HydrophobicContact CG-CB 4.09Å; K197-I202 VanDerWaalsContact CG-O 3.25Å; K197-I202 WeakPolarHBondContact CG-O 3.42Å; K197-I202 PolarHBondContact NZ-O 3.23Å; K197-I202 PolarHBondContact O-N 3.47Å; K197-D204 WeakPolarHBondContact CE-OD1 3.37Å; K197-D204 IonicContact NZ-OD1 3.96Å; K197-D204 PolarHBondContact NZ-OD1 3.19Å; K197-I207 HydrophobicContact CB-CD1 3.74Å; K197-I207 HydrophobicContact CB-CG1 4.03Å; K197-I207 HydrophobicContact CD-CB 4.24Å; K197-I207 HydrophobicContact CD-CG1 4.09Å; K197-I207 HydrophobicContact CD-CG2 4.27Å; K197-I207 HydrophobicContact CG-CB 4.19Å; K197-I207 HydrophobicContact CG-CD1 4.12Å; K197-I207 HydrophobicContact CG-CG1 4.01Å
198H98.6Very high97.7Very high46 Ų4627.4 Ų27.421%0.21316%0.155CC..Hα-helixtrans-68.3-48.1-179.5176.774.5000112.6L162 L166 A194 L195 L196 R227L162-H198 HydrophobicContact CD1-CB 3.91Å; L162-H198 HydrophobicContact CD2-CB 4.33Å; L166-H198 WeakPolarHBondContact CD1-NE2 3.32Å; A194-H198 PolarHBondContact O-N 2.73Å; L195-H198 WeakPolarHBondContact O-CB 3.14Å; L195-H198 PolarHBondContact O-N 2.81Å; L195-H198 VanDerWaalsContact O-N 3.14Å; L196-H198 PolarHBondContact O-N 3.22Å; H198-R227 PolarHBondContact O-NH1 3.48Å
199L98.4Very high97.5Very high2 Ų231.7 Ų31.71%0.0118%0.177CC..Hα-helixtrans-73.6-37.1-173.1-62.6176.4000112.7M8 W169 L195 L196 L220 L222 L226 A228M8-L199 HydrophobicContact CE-CD1 4.35Å; W169-L199 HydrophobicContact CH2-CD1 4.01Å; W169-L199 HydrophobicContact CH2-CD2 4.25Å; W169-L199 HydrophobicContact CZ2-CD1 4.1Å; W169-L199 HydrophobicContact CZ2-CD2 3.51Å; W169-L199 HydrophobicContact CZ2-CG 4.45Å; W169-L199 HydrophobicContact CZ3-CD1 4.4Å; L195-L199 HydrophobicContact CD1-CD1 3.85Å; L195-L199 HydrophobicContact CD1-CG 4.01Å; L195-L199 HydrophobicContact CD2-CD1 4.42Å; L195-L199 HydrophobicContact CG-CD1 3.78Å; L195-L199 HydrophobicContact CG-CG 4.32Å; L195-L199 WeakPolarHBondContact O-CG 3.35Å; L195-L199 PolarHBondContact O-N 2.79Å; L196-L199 PolarHBondContact O-N 3.1Å; L199-L220 HydrophobicContact CB-CD2 3.87Å; L199-L220 HydrophobicContact CD1-CD2 3.39Å; L199-L220 HydrophobicContact CG-CD2 4.26Å; L199-L222 HydrophobicContact CB-CD2 4.39Å; L199-L226 WeakPolarHBondContact CD2-O 3.4Å; L199-A228 WeakPolarHBondContact O-CB 3.31Å; L199-A228 PolarHBondContact O-N 2.91Å
200E98.4Very high97.4Very high47 Ų4733.3 Ų33.322%0.2219%0.185CC..Hα-helixtrans-88.8-6.2177.3-71.4174.3-126.600113.4L196 I202 L220 A228 H232L196-E200 WeakPolarHBondContact CD2-OE1 3.48Å; L196-E200 WeakPolarHBondContact O-CB 3.36Å; L196-E200 PolarHBondContact O-N 2.75Å; E200-I202 VanDerWaalsContact C-N 3.3Å; E200-I202 HydrophobicContact CB-CD1 4.03Å; E200-I202 HydrophobicContact CB-CG1 3.74Å; E200-I202 PolarHBondContact O-N 3.09Å; E200-L220 HydrophobicContact CG-CD1 4.15Å; E200-A228 HydrophobicContact CB-CB 4.27Å; E200-A228 HydrophobicContact CG-CB 3.54Å; E200-H232 VanDerWaalsContact OE1-CB 3.3Å; E200-H232 WeakPolarHBondContact OE1-CB 3.44Å; E200-H232 IonicContact OE1-CE1 2.86Å; E200-H232 IonicContact OE1-CG 3.2Å; E200-H232 PolarHBondContact OE1-N 3.1Å; E200-H232 IonicContact OE1-ND1 2.67Å; E200-H232 PolarHBondContact OE1-ND1 3.09Å; E200-H232 IonicContact OE2-ND1 3.98Å; E200-H232 PolarHBondContact OE2-ND1 3.1Å
201G97.9Very high97.2Very high56 Ų5633.6 Ų33.658%0.57719%0.187SC*.THydrogen-bonded Turntrans65.732.7-178.400000113.4K197K197-G201 CarbonylContact O-C 3.56Å; K197-G201 WeakPolarHBondContact O-CA 3.43Å; K197-G201 PolarHBondContact O-N 3.33Å; K197-G201 VanDerWaalsContact O-N 3.11Å
202I98Very high97.1Very high24 Ų2433.7 Ų33.712%0.12319%0.187CC..  trans-68.3134.5-179-54.1170.7000109.2K197 E200 D206 I207 I210K197-I202 HydrophobicContact CG-CB 4.09Å; K197-I202 VanDerWaalsContact CG-O 3.25Å; K197-I202 WeakPolarHBondContact CG-O 3.42Å; K197-I202 PolarHBondContact NZ-O 3.23Å; K197-I202 PolarHBondContact O-N 3.47Å; E200-I202 VanDerWaalsContact C-N 3.3Å; E200-I202 HydrophobicContact CB-CD1 4.03Å; E200-I202 HydrophobicContact CB-CG1 3.74Å; E200-I202 PolarHBondContact O-N 3.09Å; I202-D206 HydrophobicContact CG2-CB 3.75Å; I202-I207 HydrophobicContact CD1-CD1 4.22Å; I202-I207 HydrophobicContact CG2-CB 4.03Å; I202-I207 HydrophobicContact CG2-CD1 4.31Å; I202-I210 HydrophobicContact CD1-CG1 4.2Å
203S98.1Very high97Very high36 Ų3633.7 Ų33.725%0.25219%0.187SC..  trans-62.9164.1178.371.40000112.2E205 D206 I207S203-E205 WeakPolarHBondContact CB-OE2 3.38Å; S203-E205 PolarHBondContact O-N 2.79Å; S203-D206 VanDerWaalsContact OG-CB 3.22Å; S203-D206 WeakPolarHBondContact OG-CB 3.32Å; S203-D206 PolarHBondContact OG-N 3.37Å; S203-D206 PolarHBondContact OG-OD2 3.01Å; S203-I207 PolarHBondContact O-N 2.91Å
204D96.5Very high96.9Very high64 Ų6434.3 Ų34.334%0.34219%0.191SC..THydrogen-bonded Turntrans-67.2-27.6175.8-71.37000111.2Y119 K197 I207Y119-D204 HydrophobicContact CD1-CB 3.9Å; Y119-D204 WeakPolarHBondContact CD1-OD1 3.38Å; Y119-D204 WeakPolarHBondContact CD1-OD2 3.49Å; Y119-D204 VanDerWaalsContact CE1-CG 3.49Å; Y119-D204 VanDerWaalsContact CE1-OD1 3.31Å; Y119-D204 WeakPolarHBondContact CE1-OD1 3.47Å; Y119-D204 VanDerWaalsContact CE1-OD2 3.31Å; Y119-D204 WeakPolarHBondContact CE1-OD2 3.4Å; Y119-D204 HydrophobicContact CG-CB 4.36Å; K197-D204 WeakPolarHBondContact CE-OD1 3.37Å; K197-D204 IonicContact NZ-OD1 3.96Å; K197-D204 PolarHBondContact NZ-OD1 3.19Å; D204-I207 WeakPolarHBondContact O-CG2 3.36Å
205E93.7Very high96.8Very high139 Ų13934.8 Ų34.865%0.6520%0.196SC*.THydrogen-bonded Turntrans-77.3-43.9177.9-62.276.6-166.400112S203 I208S203-E205 WeakPolarHBondContact CB-OE2 3.38Å; S203-E205 PolarHBondContact O-N 2.79Å; E205-I208 WeakPolarHBondContact O-CG2 3.38Å
206D95.8Very high96.8Very high92 Ų9235.4 Ų35.449%0.49220%0.2SC..G310 helixtrans-79.4-28.1-173.1-66.6-45.2000112.8I202 S203 I208 N209I202-D206 HydrophobicContact CG2-CB 3.75Å; S203-D206 VanDerWaalsContact OG-CB 3.22Å; S203-D206 WeakPolarHBondContact OG-CB 3.32Å; S203-D206 PolarHBondContact OG-N 3.37Å; S203-D206 PolarHBondContact OG-OD2 3.01Å; D206-I208 PolarHBondContact O-N 3.04Å; D206-N209 WeakPolarHBondContact O-CB 3.39Å; D206-N209 PolarHBondContact O-N 3.36Å
207I96.9Very high96.7Very high0 Ų035.4 Ų35.40%020%0.2CC..G310 helixtrans-60.4-23.3-177.9-167.657.4000112.5L158 R193 K197 I202 S203 D204 N209 I210L158-I207 HydrophobicContact CD2-CG1 3.67Å; L158-I207 HydrophobicContact CD2-CG2 4.3Å; R193-I207 HydrophobicContact CB-CD1 4.49Å; R193-I207 PolarHBondContact NH2-O 3.03Å; K197-I207 HydrophobicContact CB-CD1 3.74Å; K197-I207 HydrophobicContact CB-CG1 4.03Å; K197-I207 HydrophobicContact CD-CB 4.24Å; K197-I207 HydrophobicContact CD-CG1 4.09Å; K197-I207 HydrophobicContact CD-CG2 4.27Å; K197-I207 HydrophobicContact CG-CB 4.19Å; K197-I207 HydrophobicContact CG-CD1 4.12Å; K197-I207 HydrophobicContact CG-CG1 4.01Å; I202-I207 HydrophobicContact CD1-CD1 4.22Å; I202-I207 HydrophobicContact CG2-CB 4.03Å; I202-I207 HydrophobicContact CG2-CD1 4.31Å; S203-I207 PolarHBondContact O-N 2.91Å; D204-I207 WeakPolarHBondContact O-CG2 3.36Å; I207-N209 PolarHBondContact O-N 3.2Å; I207-I210 HydrophobicContact CD1-CB 4.1Å; I207-I210 HydrophobicContact CD1-CG1 3.97Å; I207-I210 PolarHBondContact O-N 2.97Å
208I93.8Very high96.7Very high32 Ų3234.6 Ų34.616%0.16420%0.197CC..G310 helixtrans-61.8-25.9176.7-156.8175.4000112.6L114 R117 E205 D206L114-I208 HydrophobicContact CD2-CD1 4.28Å; R117-I208 HydrophobicContact CB-CB 4.38Å; R117-I208 HydrophobicContact CB-CG1 3.45Å; R117-I208 VanDerWaalsContact CB-CG1 3.45Å; R117-I208 WeakPolarHBondContact CB-O 3.34Å; E205-I208 WeakPolarHBondContact O-CG2 3.38Å; D206-I208 PolarHBondContact O-N 3.04Å
209N94Very high96.7Very high89 Ų8933.2 Ų33.248%0.47619%0.191SC..G310 helixtrans-89.9-10.1-177.2-60-42.4000112.7R113 D206 I207 T211R113-N209 PolarHBondContact NH2-OD1 2.82Å; D206-N209 WeakPolarHBondContact O-CB 3.39Å; D206-N209 PolarHBondContact O-N 3.36Å; I207-N209 PolarHBondContact O-N 3.2Å; N209-T211 PolarHBondContact O-N 2.76Å
210I95.8Very high96.7Very high38 Ų3833.1 Ų33.120%0.19519%0.19CC..  trans-82115.3178-53.6-57000109.7R193 I202 I207 L212R193-I210 WeakPolarHBondContact CD-O 3.11Å; R193-I210 HydrophobicContact CG-CG2 4.3Å; R193-I210 PolarHBondContact NE-O 3.39Å; I202-I210 HydrophobicContact CD1-CG1 4.2Å; I207-I210 HydrophobicContact CD1-CB 4.1Å; I207-I210 HydrophobicContact CD1-CG1 3.97Å; I207-I210 PolarHBondContact O-N 2.97Å; I210-L212 HydrophobicContact CG2-CD2 4.06Å
211T94.3Very high96.7Very high10 Ų1033.5 Ų33.56%0.06119%0.192CC..  trans-120.3128.4171.8-69.90000109.6R117 N209 I245 V248 E249R117-T211 PolarHBondContact NE-OG1 2.99Å; R117-T211 VanDerWaalsContact NE-OG1 3.14Å; R117-T211 PolarHBondContact NH2-OG1 2.86Å; N209-T211 PolarHBondContact O-N 2.76Å; T211-I245 HydrophobicContact CG2-CG2 4.14Å; T211-V248 HydrophobicContact CG2-CB 3.78Å; T211-V248 HydrophobicContact CG2-CG1 3.55Å; T211-E249 HydrophobicContact CG2-CG 4.07Å
212L96.3Very high96.7Very high3 Ų330.8 Ų30.82%0.01617%0.165CC..PPolyproline II helixtrans-100.6129.8179.4-54.2-178.8000110.8R10 S192 R193 L196 I210 I218 F234R10-L212 PolarHBondContact NH1-O 3.26Å; S192-L212 VanDerWaalsContact CB-CD1 3.5Å; R193-L212 HydrophobicContact CG-CD1 3.89Å; R193-L212 HydrophobicContact CG-CG 3.92Å; L196-L212 HydrophobicContact CD1-CD1 4.08Å; L196-L212 HydrophobicContact CD1-CD2 3.86Å; I210-L212 HydrophobicContact CG2-CD2 4.06Å; L212-I218 HydrophobicContact CD1-CD1 4Å; L212-I218 HydrophobicContact CD2-CD1 3.94Å; L212-I218 HydrophobicContact CG-CD1 4.42Å; L212-F234 HydrophobicContact CD2-CE1 4.01Å; L212-F234 HydrophobicContact CD2-CZ 3.8Å
213P96.8Very high96.7Very high3 Ų331.7 Ų31.72%0.01917%0.169CC..PPolyproline II helixtrans-69.3163.7172.332.2-33.5000110.8V216 F234 I241 A244 I245P213-V216 HydrophobicContact CB-CG2 4Å; P213-V216 HydrophobicContact CG-CB 3.86Å; P213-V216 HydrophobicContact CG-CG1 4.44Å; P213-V216 HydrophobicContact CG-CG2 3.66Å; P213-F234 HydrophobicContact CG-CD1 4.24Å; P213-F234 HydrophobicContact CG-CE1 4.06Å; P213-I241 HydrophobicContact CG-CG2 4.37Å; P213-A244 HydrophobicContact CB-CB 3.81Å; P213-I245 HydrophobicContact CB-CG1 4.17Å; P213-I245 HydrophobicContact CG-CG1 4.04Å
214T96.2Very high96.6Very high16 Ų1636 Ų3610%0.09819%0.185CC..SBendtrans-81.1146170.248.40000109.8R10 H11 E37 V216R10-T214 HydrophobicContact CG-CG2 4.46Å; H11-T214 WeakPolarHBondContact O-CB 3.5Å; E37-T214 PolarHBondContact OE1-OG1 2.77Å; T214-V216 VanDerWaalsContact C-N 3.34Å; T214-V216 PolarHBondContact O-N 2.97Å
215G96.9Very high96.6Very high11 Ų1138.5 Ų38.511%0.11320%0.199CC..SBendtrans64.133.2167.100000115.5R10 C41R10-G215 PolarHBondContact O-N 3.17Å; C41-G215 PolarHBondContact SG-O 2.99Å
216V98.3Very high96.8Very high16 Ų1632.8 Ų32.810%0.09717%0.173CC..  trans-126.1122.7176.2-179.40000108.8L9 P213 T214 I218 F234 I241L9-V216 WeakPolarHBondContact CB-O 3.45Å; P213-V216 HydrophobicContact CB-CG2 4Å; P213-V216 HydrophobicContact CG-CB 3.86Å; P213-V216 HydrophobicContact CG-CG1 4.44Å; P213-V216 HydrophobicContact CG-CG2 3.66Å; T214-V216 VanDerWaalsContact C-N 3.34Å; T214-V216 PolarHBondContact O-N 2.97Å; V216-I218 PolarHBondContact O-N 2.71Å; V216-F234 HydrophobicContact CG1-CB 3.86Å; V216-F234 HydrophobicContact CG1-CD1 3.91Å; V216-F234 HydrophobicContact CG1-CG 4.29Å; V216-I241 HydrophobicContact CG1-CD1 3.92Å; V216-I241 HydrophobicContact CG1-CG1 3.95Å; V216-I241 HydrophobicContact CG2-CG1 4.16Å
217P98.4Very high96.9Very high0 Ų034.1 Ų34.10%017%0.171CC..  trans-64.1133.8174.1-1932.3000111.2I7 C41 Q44 L45 L235I7-P217 HydrophobicContact CG2-CB 4.22Å; C41-P217 HydrophobicContact CB-CG 3.96Å; Q44-P217 VanDerWaalsContact OE1-CD 3.25Å; L45-P217 HydrophobicContact CD2-CB 4.19Å; L45-P217 HydrophobicContact CD2-CG 4.5Å; L45-P217 HydrophobicContact CG-CG 4.33Å; P217-L235 HydrophobicContact CB-CB 4.17Å; P217-L235 HydrophobicContact CB-CD1 4.09Å; P217-L235 HydrophobicContact CB-CG 4.36Å; P217-L235 PolarHBondContact O-N 3.44Å
218I98.6Very high96.9Very high2 Ų235.2 Ų35.21%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-108.6115.6176.6-51.3176.6000107.4I7 M8 L212 V216 H232 Q233 F234I7-I218 WeakPolarHBondContact CA-O 3.47Å; M8-I218 HydrophobicContact CG-CB 3.92Å; M8-I218 HydrophobicContact CG-CD1 4.36Å; M8-I218 HydrophobicContact CG-CG2 4.31Å; M8-I218 PolarHBondContact N-O 2.93Å; M8-I218 WeakPolarHBondContact O-CA 3.33Å; M8-I218 WeakPolarHBondContact O-CB 3.35Å; M8-I218 WeakPolarHBondContact O-CG1 3.4Å; M8-I218 PolarHBondContact O-N 3.24Å; L212-I218 HydrophobicContact CD1-CD1 4Å; L212-I218 HydrophobicContact CD2-CD1 3.94Å; L212-I218 HydrophobicContact CG-CD1 4.42Å; V216-I218 PolarHBondContact O-N 2.71Å; I218-H232 HydrophobicContact CG2-CB 3.57Å; I218-Q233 CarbonylContact C-O 3.55Å; I218-Q233 WeakPolarHBondContact CA-O 3.42Å; I218-F234 HydrophobicContact CD1-CD1 4.46Å; I218-F234 HydrophobicContact CD1-CE1 3.87Å; I218-F234 HydrophobicContact CG1-CD1 3.85Å; I218-F234 HydrophobicContact CG1-CE1 3.77Å
219L98.4Very high97.1Very high17 Ų1737 Ų379%0.08919%0.192CC..EExtended strand (participates in β ladder)trans-85.2128.1170.9174.864.2000109.5K5 I7 E221 Q233 L235K5-L219 HydrophobicContact CB-CD1 4.24Å; K5-L219 HydrophobicContact CD-CD1 4.41Å; I7-L219 HydrophobicContact CD1-CB 4.17Å; I7-L219 HydrophobicContact CD1-CD1 3.96Å; L219-E221 HydrophobicContact CG-CG 4.47Å; L219-Q233 HydrophobicContact CB-CB 4.39Å; L219-Q233 PolarHBondContact N-O 2.86Å; L219-Q233 PolarHBondContact O-N 3.11Å; L219-L235 HydrophobicContact CB-CD1 4.26Å; L219-L235 HydrophobicContact CB-CD2 3.93Å; L219-L235 HydrophobicContact CB-CG 4.16Å; L219-L235 HydrophobicContact CD2-CD2 4.32Å
220L98.2Very high97.2Very high1 Ų134.4 Ų34.41%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-124.7128.1170.2-167.666.8000109.6L6 M8 L196 L199 E200 L222 A228 H232L6-L220 PolarHBondContact N-O 3.48Å; L6-L220 PolarHBondContact O-N 2.88Å; M8-L220 HydrophobicContact CE-CD2 4.3Å; L196-L220 HydrophobicContact CD2-CD1 4.46Å; L196-L220 HydrophobicContact CD2-CD2 4.24Å; L199-L220 HydrophobicContact CB-CD2 3.87Å; L199-L220 HydrophobicContact CD1-CD2 3.39Å; L199-L220 HydrophobicContact CG-CD2 4.26Å; E200-L220 HydrophobicContact CG-CD1 4.15Å; L220-L222 HydrophobicContact CD2-CD2 3.77Å; L220-L222 HydrophobicContact CG-CD2 3.88Å; L220-L222 HydrophobicContact CG-CG 4.49Å; L220-A228 HydrophobicContact CD1-CB 3.88Å; L220-H232 HydrophobicContact CD1-CB 4.19Å
221E97.8Very high97.3Very high54 Ų5437.4 Ų37.425%0.25221%0.208SC..EExtended strand (participates in β ladder)trans-104.8127.8175.8-61.2-161.2145.200109.9S2 Y4 K5 L219 A228 V229S2-E221 WeakPolarHBondContact CB-OE2 3.46Å; S2-E221 PolarHBondContact OG-OE2 2.84Å; Y4-E221 WeakPolarHBondContact O-CA 3.09Å; K5-E221 WeakPolarHBondContact CE-OE1 3.44Å; K5-E221 HydrophobicContact CG-CG 4.38Å; K5-E221 IonicContact NZ-OE1 3.94Å; K5-E221 PolarHBondContact NZ-OE1 3Å; L219-E221 HydrophobicContact CG-CG 4.47Å; E221-A228 WeakPolarHBondContact O-CA 3.11Å; E221-V229 PolarHBondContact O-N 3.34Å
222L98.4Very high97.4Very high0 Ų038.4 Ų38.40%021%0.212CC..EExtended strand (participates in β ladder)trans-116.6147-173.6-57176.7000111.9K3 Y4 W169 V177 L199 L220 L226 R227 A228K3-L222 PolarHBondContact N-O 2.77Å; Y4-L222 PolarHBondContact N-O 3.26Å; Y4-L222 VanDerWaalsContact N-O 3.09Å; Y4-L222 PolarHBondContact O-N 3.26Å; W169-L222 HydrophobicContact CH2-CD1 4.05Å; W169-L222 HydrophobicContact CZ2-CD1 4.24Å; V177-L222 HydrophobicContact CG1-CD1 4.21Å; L199-L222 HydrophobicContact CB-CD2 4.39Å; L220-L222 HydrophobicContact CD2-CD2 3.77Å; L220-L222 HydrophobicContact CG-CD2 3.88Å; L220-L222 HydrophobicContact CG-CG 4.49Å; L222-L226 HydrophobicContact CD1-CD2 4.14Å; L222-R227 CarbonylContact C-O 3.53Å; L222-R227 VanDerWaalsContact CA-O 3.28Å; L222-R227 WeakPolarHBondContact CA-O 3.48Å; L222-A228 HydrophobicContact CD2-CB 4.4Å
223D97.6Very high97.5Very high42 Ų4243.5 Ų43.523%0.22524%0.236CC..  trans-82.5-175.2170.372.411000112.3Y4 N225 L226 R227 V229Y4-D223 WeakPolarHBondContact CD2-O 3.47Å; Y4-D223 WeakPolarHBondContact CE2-O 3.49Å; D223-N225 PolarHBondContact O-N 3.17Å; D223-N225 VanDerWaalsContact OD1-C 3.31Å; D223-N225 VanDerWaalsContact OD1-CA 3.32Å; D223-N225 WeakPolarHBondContact OD1-CA 3.47Å; D223-N225 WeakPolarHBondContact OD1-CB 3.48Å; D223-N225 PolarHBondContact OD1-N 3.12Å; D223-L226 PolarHBondContact O-N 2.89Å; D223-L226 VanDerWaalsContact O-N 3.08Å; D223-L226 PolarHBondContact OD1-N 2.87Å; D223-L226 VanDerWaalsContact OD1-N 3.1Å; D223-R227 PolarHBondContact N-O 2.96Å; D223-R227 PolarHBondContact OD1-N 3.37Å; D223-V229 HydrophobicContact CB-CG2 3.94Å
224E96.2Very high97.6Very high126 Ų12644.6 Ų44.659%0.58924%0.24SC*.THydrogen-bonded Turntrans-65.8-17.2178.964.8-171-176.600115.1K3K3-E224 HydrophobicContact CD-CB 3.97Å
225N96.7Very high97.6Very high117 Ų11745.1 Ų45.163%0.62624%0.242SC*.THydrogen-bonded Turntrans-98.711.4175.5-58.6-59.3000111.9D223 R227D223-N225 PolarHBondContact O-N 3.17Å; D223-N225 VanDerWaalsContact OD1-C 3.31Å; D223-N225 VanDerWaalsContact OD1-CA 3.32Å; D223-N225 WeakPolarHBondContact OD1-CA 3.47Å; D223-N225 WeakPolarHBondContact OD1-CB 3.48Å; D223-N225 PolarHBondContact OD1-N 3.12Å; N225-R227 HydrophobicContact CB-CG 4.4Å; N225-R227 PolarHBondContact O-N 3.34Å
226L97.7Very high97.4Very high19 Ų1946.4 Ų46.410%0.09926%0.256CS..SBendtrans56.332.7-175.3-57.2179.1000113.7Y4 W169 A174 V177 L178 L199 L222 D223Y4-L226 HydrophobicContact CD2-CD2 3.99Å; Y4-L226 HydrophobicContact CE2-CD2 4.25Å; W169-L226 HydrophobicContact CZ2-CD1 4.32Å; A174-L226 HydrophobicContact CB-CD1 3.4Å; V177-L226 HydrophobicContact CB-CD2 4.24Å; V177-L226 HydrophobicContact CG1-CD2 3.67Å; L178-L226 HydrophobicContact CD1-CD1 4.13Å; L178-L226 HydrophobicContact CD2-CD1 4.28Å; L178-L226 HydrophobicContact CD2-CD2 3.82Å; L178-L226 HydrophobicContact CD2-CG 3.91Å; L178-L226 HydrophobicContact CG-CD1 3.93Å; L178-L226 HydrophobicContact CG-CD2 4.05Å; L178-L226 HydrophobicContact CG-CG 4.11Å; L199-L226 WeakPolarHBondContact CD2-O 3.4Å; L222-L226 HydrophobicContact CD1-CD2 4.14Å; D223-L226 PolarHBondContact O-N 2.89Å; D223-L226 VanDerWaalsContact O-N 3.08Å; D223-L226 PolarHBondContact OD1-N 2.87Å; D223-L226 VanDerWaalsContact OD1-N 3.1Å
227R97.8Very high97.1Very high121 Ų12150.5 Ų50.546%0.45728%0.277SS..  trans-97.2146.5169-61.2-59.4-169.6156.93.7110H198 L222 D223 N225 V229H198-R227 PolarHBondContact O-NH1 3.48Å; L222-R227 CarbonylContact C-O 3.53Å; L222-R227 VanDerWaalsContact CA-O 3.28Å; L222-R227 WeakPolarHBondContact CA-O 3.48Å; D223-R227 PolarHBondContact N-O 2.96Å; D223-R227 PolarHBondContact OD1-N 3.37Å; N225-R227 HydrophobicContact CB-CG 4.4Å; N225-R227 PolarHBondContact O-N 3.34Å; R227-V229 PolarHBondContact O-N 2.98Å
228A97.9Very high96.9Very high23 Ų2355.2 Ų55.219%0.1930%0.299CS..BIsolated β-bridgetrans-63.9132178.400000110.8L199 E200 L220 E221 L222 G230L199-A228 WeakPolarHBondContact O-CB 3.31Å; L199-A228 PolarHBondContact O-N 2.91Å; E200-A228 HydrophobicContact CB-CB 4.27Å; E200-A228 HydrophobicContact CG-CB 3.54Å; L220-A228 HydrophobicContact CD1-CB 3.88Å; E221-A228 WeakPolarHBondContact O-CA 3.11Å; L222-A228 HydrophobicContact CD2-CB 4.4Å; A228-G230 VanDerWaalsContact C-N 3.26Å; A228-G230 WeakPolarHBondContact CB-O 3.5Å
229V97.3Very high96.7Very high69 Ų6963 Ų6342%0.41834%0.335SS..SBendtrans-78.5-17.5176-176.40000111.6E221 D223 R227E221-V229 PolarHBondContact O-N 3.34Å; D223-V229 HydrophobicContact CB-CG2 3.94Å; R227-V229 PolarHBondContact O-N 2.98Å
230G95.9Very high96.4Very high34 Ų3464.9 Ų64.935%0.35135%0.354SS..SBendtrans-164.4179.8174.700000110.3A228A228-G230 VanDerWaalsContact C-N 3.26Å; A228-G230 WeakPolarHBondContact CB-O 3.5Å
231P96.9Very high96.2Very high101 Ų10165.2 Ų65.266%0.65636%0.356SS*.  trans-62.5151.7176.828-34.7000110.9
232H98.2Very high96Very high31 Ų3167.9 Ų67.914%0.14437%0.368CS..  trans-54.8147.7171.459.6-84.1000112.3L196 E200 I218 L220 F234L196-H232 HydrophobicContact CD2-CB 4.05Å; E200-H232 VanDerWaalsContact OE1-CB 3.3Å; E200-H232 WeakPolarHBondContact OE1-CB 3.44Å; E200-H232 IonicContact OE1-CE1 2.86Å; E200-H232 IonicContact OE1-CG 3.2Å; E200-H232 PolarHBondContact OE1-N 3.1Å; E200-H232 IonicContact OE1-ND1 2.67Å; E200-H232 PolarHBondContact OE1-ND1 3.09Å; E200-H232 IonicContact OE2-ND1 3.98Å; E200-H232 PolarHBondContact OE2-ND1 3.1Å; I218-H232 HydrophobicContact CG2-CB 3.57Å; L220-H232 HydrophobicContact CD1-CB 4.19Å; H232-F234 AromaticContact CD2-CZ 3.81Å; H232-F234 AromaticContact NE2-CE2 3.93Å; H232-F234 AromaticContact NE2-CZ 3.76Å
233Q98.1Very high95.8Very high111 Ų11170.8 Ų70.852%0.51939%0.392SS..EExtended strand (participates in β ladder)trans-118.8128.8179.6-64.4-180-15.900110.4I218 L219I218-Q233 CarbonylContact C-O 3.55Å; I218-Q233 WeakPolarHBondContact CA-O 3.42Å; L219-Q233 HydrophobicContact CB-CB 4.39Å; L219-Q233 PolarHBondContact N-O 2.86Å; L219-Q233 PolarHBondContact O-N 3.11Å
234F98Very high95.5Very high25 Ų2570.2 Ų70.211%0.1139%0.393CS..EExtended strand (participates in β ladder)trans-81.7125.3171.2-63.6-66.4000110.1L212 P213 V216 I218 H232 Q238 I241 I245L212-F234 HydrophobicContact CD2-CE1 4.01Å; L212-F234 HydrophobicContact CD2-CZ 3.8Å; P213-F234 HydrophobicContact CG-CD1 4.24Å; P213-F234 HydrophobicContact CG-CE1 4.06Å; V216-F234 HydrophobicContact CG1-CB 3.86Å; V216-F234 HydrophobicContact CG1-CD1 3.91Å; V216-F234 HydrophobicContact CG1-CG 4.29Å; I218-F234 HydrophobicContact CD1-CD1 4.46Å; I218-F234 HydrophobicContact CD1-CE1 3.87Å; I218-F234 HydrophobicContact CG1-CD1 3.85Å; I218-F234 HydrophobicContact CG1-CE1 3.77Å; H232-F234 AromaticContact CD2-CZ 3.81Å; H232-F234 AromaticContact NE2-CE2 3.93Å; H232-F234 AromaticContact NE2-CZ 3.76Å; F234-Q238 PolarHBondContact O-NE2 3.41Å; F234-I241 HydrophobicContact CB-CD1 3.75Å; F234-I241 HydrophobicContact CB-CG1 4.46Å; F234-I241 HydrophobicContact CB-CG2 3.81Å; F234-I241 HydrophobicContact CD2-CG2 3.85Å; F234-I241 HydrophobicContact CG-CG2 3.83Å; F234-I245 HydrophobicContact CD2-CD1 4.33Å; F234-I245 HydrophobicContact CE2-CD1 3.8Å; F234-I245 HydrophobicContact CZ-CD1 4.27Å
235L96.1Very high95.4Very high27 Ų2765 Ų6514%0.14137%0.369CS..  trans-86.4125.8178.3-55.6-176000110.2I7 L45 L48 P217 L219I7-L235 HydrophobicContact CD1-CD1 3.99Å; L45-L235 HydrophobicContact CD2-CD1 4.33Å; L48-L235 HydrophobicContact CD1-CD1 3.79Å; P217-L235 HydrophobicContact CB-CB 4.17Å; P217-L235 HydrophobicContact CB-CD1 4.09Å; P217-L235 HydrophobicContact CB-CG 4.36Å; P217-L235 PolarHBondContact O-N 3.44Å; L219-L235 HydrophobicContact CB-CD1 4.26Å; L219-L235 HydrophobicContact CB-CD2 3.93Å; L219-L235 HydrophobicContact CB-CG 4.16Å; L219-L235 HydrophobicContact CD2-CD2 4.32Å
236G92.9Very high95.3Very high39 Ų3965.3 Ų65.340%0.40237%0.365SS..SBendtrans131.2-164.9178.800000113.5Q238G236-Q238 PolarHBondContact O-N 2.88Å; G236-Q238 PolarHBondContact O-NE2 3.13Å
237D92.5Very high95Very high101 Ų10170 Ų7054%0.5438%0.384SS..  trans-67.4114.3177-177.1-63.9000110.8E239 A240 I241D237-E239 VanDerWaalsContact C-N 3.33Å; D237-E239 PolarHBondContact O-N 3.42Å; D237-E239 WeakPolarHBondContact OD1-CB 3.34Å; D237-E239 PolarHBondContact OD1-N 3.18Å; D237-A240 HydrophobicContact CB-CB 4.05Å; D237-A240 PolarHBondContact O-N 2.8Å; D237-A240 PolarHBondContact OD1-N 3.05Å; D237-I241 WeakPolarHBondContact O-CB 3.38Å; D237-I241 VanDerWaalsContact O-CD1 3.28Å; D237-I241 WeakPolarHBondContact O-CD1 3.5Å; D237-I241 WeakPolarHBondContact O-CG1 3.21Å; D237-I241 PolarHBondContact O-N 2.98Å
238Q93.8Very high94.6Very high99 Ų9964.6 Ų64.646%0.46337%0.365SS..Hα-helixtrans-67.4-32-172.6-61.1-57.6-60.800112.8F234 G236 I241 Q242F234-Q238 PolarHBondContact O-NE2 3.41Å; G236-Q238 PolarHBondContact O-N 2.88Å; G236-Q238 PolarHBondContact O-NE2 3.13Å; Q238-I241 PolarHBondContact O-N 3.27Å; Q238-Q242 VanDerWaalsContact O-CG 3.29Å; Q238-Q242 WeakPolarHBondContact O-CG 3.36Å; Q238-Q242 PolarHBondContact O-N 2.92Å
239E93.9Very high94.2Very high165 Ų16567 Ų6777%0.77137%0.372SS*.Hα-helixtrans-69.5-44.9178.5-64.1-174.1174.200110.7D237 I241 Q242 A243D237-E239 VanDerWaalsContact C-N 3.33Å; D237-E239 PolarHBondContact O-N 3.42Å; D237-E239 WeakPolarHBondContact OD1-CB 3.34Å; D237-E239 PolarHBondContact OD1-N 3.18Å; E239-I241 VanDerWaalsContact C-N 3.32Å; E239-I241 PolarHBondContact O-N 2.93Å; E239-Q242 PolarHBondContact O-N 2.74Å; E239-A243 PolarHBondContact O-N 3.17Å
240A92.4Very high93.9Very high58 Ų5866.7 Ų66.748%0.47937%0.368SS..Hα-helixtrans-62.6-39.5175.200000111.8D237 A243 A244D237-A240 HydrophobicContact CB-CB 4.05Å; D237-A240 PolarHBondContact O-N 2.8Å; D237-A240 PolarHBondContact OD1-N 3.05Å; A240-A243 PolarHBondContact O-N 3.31Å; A240-A244 WeakPolarHBondContact O-CB 3.32Å; A240-A244 PolarHBondContact O-N 3.21Å
241I94.3Very high93.3Very high7 Ų766.2 Ų66.24%0.03636%0.357CS..Hα-helixtrans-62.8-47.6176-72.4160.7000110.9P213 V216 F234 D237 Q238 E239 A243 A244 I245P213-I241 HydrophobicContact CG-CG2 4.37Å; V216-I241 HydrophobicContact CG1-CD1 3.92Å; V216-I241 HydrophobicContact CG1-CG1 3.95Å; V216-I241 HydrophobicContact CG2-CG1 4.16Å; F234-I241 HydrophobicContact CB-CD1 3.75Å; F234-I241 HydrophobicContact CB-CG1 4.46Å; F234-I241 HydrophobicContact CB-CG2 3.81Å; F234-I241 HydrophobicContact CD2-CG2 3.85Å; F234-I241 HydrophobicContact CG-CG2 3.83Å; D237-I241 WeakPolarHBondContact O-CB 3.38Å; D237-I241 VanDerWaalsContact O-CD1 3.28Å; D237-I241 WeakPolarHBondContact O-CD1 3.5Å; D237-I241 WeakPolarHBondContact O-CG1 3.21Å; D237-I241 PolarHBondContact O-N 2.98Å; Q238-I241 PolarHBondContact O-N 3.27Å; E239-I241 VanDerWaalsContact C-N 3.32Å; E239-I241 PolarHBondContact O-N 2.93Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 3.17Å; I241-A244 WeakPolarHBondContact O-CB 3.06Å; I241-A244 PolarHBondContact O-N 3.25Å; I241-A244 VanDerWaalsContact O-N 3.15Å; I241-I245 HydrophobicContact CG2-CD1 4Å; I241-I245 WeakPolarHBondContact O-CG1 3.48Å; I241-I245 PolarHBondContact O-N 3.26Å
242Q93.6Very high92.4Very high110 Ų11061.7 Ų61.751%0.51433%0.329SS..Hα-helixtrans-63.3-38.1177.6-69.6-57.4-34.700111.9Q238 E239 A244 I245 K246Q238-Q242 VanDerWaalsContact O-CG 3.29Å; Q238-Q242 WeakPolarHBondContact O-CG 3.36Å; Q238-Q242 PolarHBondContact O-N 2.92Å; E239-Q242 PolarHBondContact O-N 2.74Å; Q242-A244 VanDerWaalsContact C-N 3.35Å; Q242-A244 PolarHBondContact O-N 2.85Å; Q242-I245 PolarHBondContact O-N 3.3Å; Q242-K246 WeakPolarHBondContact O-CB 3.47Å; Q242-K246 PolarHBondContact O-N 3.01Å
243A93.4Very high91.6Very high61 Ų6164.6 Ų64.650%0.50434%0.341SS..Hα-helixtrans-62.8-40.417300000112.2E239 A240 I241 K246 K247E239-A243 PolarHBondContact O-N 3.17Å; A240-A243 PolarHBondContact O-N 3.31Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 3.17Å; A243-K246 PolarHBondContact O-N 3.41Å; A243-K247 PolarHBondContact O-N 3.37Å
244A92.9Very high90.8Very high30 Ų3061.7 Ų61.725%0.24833%0.331CS..Hα-helixtrans-67.2-40.3176.300000112.5P213 A240 I241 Q242 K247 V248P213-A244 HydrophobicContact CB-CB 3.81Å; A240-A244 WeakPolarHBondContact O-CB 3.32Å; A240-A244 PolarHBondContact O-N 3.21Å; I241-A244 WeakPolarHBondContact O-CB 3.06Å; I241-A244 PolarHBondContact O-N 3.25Å; I241-A244 VanDerWaalsContact O-N 3.15Å; Q242-A244 VanDerWaalsContact C-N 3.35Å; Q242-A244 PolarHBondContact O-N 2.85Å; A244-K247 WeakPolarHBondContact O-CB 3.47Å; A244-K247 PolarHBondContact O-N 3Å; A244-V248 WeakPolarHBondContact O-CG2 3.34Å; A244-V248 PolarHBondContact O-N 3.08Å; A244-V248 VanDerWaalsContact O-N 3.15Å
245I93.6Very high89.8Confident17 Ų1768 Ų689%0.08736%0.358CS..Hα-helixtrans-58.4-51.3172.8-70.8168.7000109.7T211 P213 F234 I241 Q242 K247 V248 E249T211-I245 HydrophobicContact CG2-CG2 4.14Å; P213-I245 HydrophobicContact CB-CG1 4.17Å; P213-I245 HydrophobicContact CG-CG1 4.04Å; F234-I245 HydrophobicContact CD2-CD1 4.33Å; F234-I245 HydrophobicContact CE2-CD1 3.8Å; F234-I245 HydrophobicContact CZ-CD1 4.27Å; I241-I245 HydrophobicContact CG2-CD1 4Å; I241-I245 WeakPolarHBondContact O-CG1 3.48Å; I241-I245 PolarHBondContact O-N 3.26Å; Q242-I245 PolarHBondContact O-N 3.3Å; I245-K247 VanDerWaalsContact C-N 3.33Å; I245-K247 PolarHBondContact O-N 3.37Å; I245-V248 WeakPolarHBondContact O-CA 3.48Å; I245-V248 WeakPolarHBondContact O-CB 3.35Å; I245-V248 PolarHBondContact O-N 3.27Å; I245-E249 PolarHBondContact O-N 2.88Å
246K93.2Very high88.3Confident124 Ų12475.6 Ų75.654%0.53939%0.393SS..Hα-helixtrans-58.7-42.1178.3-171.8-177.6176.5-1700112.2Q242 A243 V248 E249 D250Q242-K246 WeakPolarHBondContact O-CB 3.47Å; Q242-K246 PolarHBondContact O-N 3.01Å; A243-K246 PolarHBondContact O-N 3.41Å; K246-V248 VanDerWaalsContact C-N 3.25Å; K246-V248 PolarHBondContact O-N 3.31Å; K246-E249 PolarHBondContact O-N 3.19Å; K246-E249 VanDerWaalsContact O-N 3.1Å; K246-D250 WeakPolarHBondContact O-CB 3.27Å; K246-D250 VanDerWaalsContact O-CG 3.3Å; K246-D250 PolarHBondContact O-N 3.46Å
247K92.1Very high86.2Confident116 Ų11678 Ų7850%0.50441%0.409SS..Hα-helixtrans-55.1-41.4174-178.4-172.5169.5-1620111.3E13 A243 A244 I245 Q251E13-K247 IonicContact OE1-NZ 3.03Å; E13-K247 PolarHBondContact OE1-NZ 2.8Å; A243-K247 PolarHBondContact O-N 3.37Å; A244-K247 WeakPolarHBondContact O-CB 3.47Å; A244-K247 PolarHBondContact O-N 3Å; I245-K247 VanDerWaalsContact C-N 3.33Å; I245-K247 PolarHBondContact O-N 3.37Å; K247-Q251 PolarHBondContact O-N 3.46Å
248V89.7Confident83.8Confident8 Ų883.2 Ų83.25%0.04843%0.427CS..Hα-helixtrans-71.1-36.3177.8176.50000111.8R116 T211 A244 I245 K246 Q251R116-V248 PolarHBondContact NH2-O 3.24Å; T211-V248 HydrophobicContact CG2-CB 3.78Å; T211-V248 HydrophobicContact CG2-CG1 3.55Å; A244-V248 WeakPolarHBondContact O-CG2 3.34Å; A244-V248 PolarHBondContact O-N 3.08Å; A244-V248 VanDerWaalsContact O-N 3.15Å; I245-V248 WeakPolarHBondContact O-CA 3.48Å; I245-V248 WeakPolarHBondContact O-CB 3.35Å; I245-V248 PolarHBondContact O-N 3.27Å; K246-V248 VanDerWaalsContact C-N 3.25Å; K246-V248 PolarHBondContact O-N 3.31Å; V248-Q251 WeakPolarHBondContact O-CB 3.47Å
249E89.9Confident81Confident74 Ų7491.6 Ų91.635%0.34646%0.462SS..Hα-helixtrans-64.7-48.3175.5-66.9-178.7157.100111.3R116 T211 I245 K246 Q251 G252R116-E249 PolarHBondContact NH1-O 3.19Å; T211-E249 HydrophobicContact CG2-CG 4.07Å; I245-E249 PolarHBondContact O-N 2.88Å; K246-E249 PolarHBondContact O-N 3.19Å; K246-E249 VanDerWaalsContact O-N 3.1Å; E249-Q251 PolarHBondContact O-N 3.34Å; E249-Q251 VanDerWaalsContact O-N 3.14Å; E249-G252 PolarHBondContact O-N 3.38Å; E249-G252 VanDerWaalsContact O-N 3.11Å
250D90.1Very high80.3Confident62 Ų6287.9 Ų87.933%0.33245%0.446SS..Hα-helixtrans-63.9-18.9-176.8-70.2-15.8000113.3K246 G252 K253K246-D250 WeakPolarHBondContact O-CB 3.27Å; K246-D250 VanDerWaalsContact O-CG 3.3Å; K246-D250 PolarHBondContact O-N 3.46Å; D250-G252 PolarHBondContact O-N 2.99Å; D250-G252 VanDerWaalsContact O-N 3.1Å; D250-K253 PolarHBondContact O-N 3.04Å; D250-K253 WeakPolarHBondContact OD1-CD 3.36Å; D250-K253 WeakPolarHBondContact OD1-CE 3.48Å; D250-K253 IonicContact OD1-NZ 3.2Å; D250-K253 PolarHBondContact OD1-NZ 2.95Å
251Q83.4Confident79.7Confident24 Ų2489.5 Ų89.511%0.11245%0.445CS..THydrogen-bonded Turntrans-57-23171.1-79176.8-8.100114.4N17 N20 R100 K247 V248 E249N17-Q251 PolarHBondContact O-NE2 2.89Å; N20-Q251 PolarHBondContact ND2-O 3.05Å; N20-Q251 WeakPolarHBondContact OD1-CB 3.4Å; N20-Q251 PolarHBondContact OD1-O 3.2Å; R100-Q251 WeakPolarHBondContact CB-O 3.27Å; K247-Q251 PolarHBondContact O-N 3.46Å; V248-Q251 WeakPolarHBondContact O-CB 3.47Å; E249-Q251 PolarHBondContact O-N 3.34Å; E249-Q251 VanDerWaalsContact O-N 3.14Å
252G78.4Confident78.9Confident6 Ų694.1 Ų94.16%0.06247%0.467CS..THydrogen-bonded Turntrans-99.23.5178.400000114.4A104 E249 D250A104-G252 WeakPolarHBondContact CB-O 3.32Å; E249-G252 PolarHBondContact O-N 3.38Å; E249-G252 VanDerWaalsContact O-N 3.11Å; D250-G252 PolarHBondContact O-N 2.99Å; D250-G252 VanDerWaalsContact O-N 3.1Å
253K81.6Confident78Confident92 Ų9293.1 Ų93.140%0.447%0.465SS..SBendtrans-100.8149.4179.8-62-179.6-172.9159.20110.1E109 D250E109-K253 WeakPolarHBondContact OE1-CA 3.43Å; D250-K253 PolarHBondContact O-N 3.04Å; D250-K253 WeakPolarHBondContact OD1-CD 3.36Å; D250-K253 WeakPolarHBondContact OD1-CE 3.48Å; D250-K253 IonicContact OD1-NZ 3.2Å; D250-K253 PolarHBondContact OD1-NZ 2.95Å
254V80.9Confident77.1Confident50 Ų5095.1 Ų95.130%0.30346%0.462SS..PPolyproline II helixtrans-74.7128171.3179.50000107.9A104 L105 E109 Q256A104-V254 HydrophobicContact CB-CG2 3.99Å; L105-V254 HydrophobicContact CD2-CB 4.37Å; L105-V254 HydrophobicContact CD2-CG1 3.58Å; L105-V254 HydrophobicContact CD2-CG2 3.81Å; L105-V254 HydrophobicContact CG-CG1 4.42Å; L105-V254 HydrophobicContact CG-CG2 4.15Å; E109-V254 HydrophobicContact CG-CG2 4.32Å; E109-V254 PolarHBondContact OE1-N 2.77Å; V254-Q256 PolarHBondContact O-N 3.18Å; V254-Q256 VanDerWaalsContact O-N 3.13Å
255K77.3Confident76Confident157 Ų15799.5 Ų99.568%0.68348%0.476SS*.PPolyproline II helixtrans-62.2121.1172.6-72.8171.6-172.5162.10109E101 A257E101-K255 WeakPolarHBondContact OE1-CB 3.46Å; E101-K255 WeakPolarHBondContact OE1-CD 3.39Å; E101-K255 VanDerWaalsContact OE1-CG 3.27Å; E101-K255 WeakPolarHBondContact OE1-CG 3.27Å; E101-K255 PolarHBondContact OE1-N 3.2Å; E101-K255 IonicContact OE2-NZ 2.77Å; K255-A257 PolarHBondContact O-N 2.86Å
256Q63.5Low74.8Confident187 Ų187105.4 Ų105.487%0.87450%0.504SS*.PPolyproline II helixtrans-60124.8168.1-67.6-170.3-100108V254 K258V254-Q256 PolarHBondContact O-N 3.18Å; V254-Q256 VanDerWaalsContact O-N 3.13Å; Q256-K258 PolarHBondContact O-N 3.11Å; Q256-K258 VanDerWaalsContact O-N 3.11Å
257A48.9Very low73.3Confident91 Ų91103.9 Ų103.975%0.75250%0.502SS*.PPolyproline II helixtrans-55121.6173.400000108K255 K259K255-A257 PolarHBondContact O-N 2.86Å; A257-K259 PolarHBondContact O-N 2.94Å
258K42.4Very low71.8Confident210 Ų210102.9 Ų102.991%0.91350%0.501SS*.  trans-59.4107.6166.7-74.3-175.4176.3-177.30106.1Q256Q256-K258 PolarHBondContact O-N 3.11Å; Q256-K258 VanDerWaalsContact O-N 3.11Å
259K35.3Very low70.1Confident274 Ų274111.5 Ų111.5100%1.19154%0.542SS*.  trans-660165.1-80.6-174.5176179.90109.5A257A257-K259 PolarHBondContact O-N 2.94Å

Retrieved 259 of 259 residues in 109.8 ms (Link to these results)

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