A0A096NL92_PAPAN Loading...

Progestin and adipoQ receptor family member 4

AlphaFold DB (A0A2K5L9B9), UniProt , Accession A0A096NL92, Species PAPAN (Papio anubis, Olive baboon), Gene PAQR4, Length 273 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
1M38.4Very low70.7Confident247 Ų247115.2 Ų115.2100%1.21763%0.631SS**  073.10-67.2-172.4-174.500110.1
2A40.3Very low72.8Confident92 Ų92111.6 Ų111.676%0.7660%0.601SS**  trans-101.87.1-173.700000114.3
3F45.8Very low74.5Confident148 Ų148109.1 Ų109.165%0.64961%0.605SS**THydrogen-bonded Turntrans-98.619.9-166.4-80.5-77.4000115.7F43F3-F43 HydrophobicContact CD1-CB 3.8Å; F3-F43 HydrophobicContact CD1-CG 4.42Å; F3-F43 HydrophobicContact CE1-CB 3.83Å; F3-F43 HydrophobicContact CE1-CD1 4.34Å; F3-F43 HydrophobicContact CE1-CD2 4.45Å; F3-F43 AromaticContact CE1-CG 3.96Å; F3-F43 HydrophobicContact CE1-CG 3.96Å
4L53.6Low76Confident173 Ų173107.1 Ų107.191%0.90660%0.602SS**THydrogen-bonded Turntrans-116-5.2-179.4-70.7170.2000115.2G6L4-G6 PolarHBondContact O-N 3.28Å
5A61.7Low77.3Confident102 Ų102100.3 Ų100.384%0.84356%0.564SS**  trans-94.766.4176.500000111.1
6G71.8Confident78.3Confident35 Ų3596.6 Ų96.636%0.36155%0.546SS..PPolyproline II helixtrans-66.8158.9166.200000111.1L4L4-G6 PolarHBondContact O-N 3.28Å
7P86.4Confident79.3Confident57 Ų5797.4 Ų97.437%0.3756%0.556SS.*PPolyproline II helixtrans-62.2155.4172.330-35.1000110.3L9 P31 Y44P7-L9 PolarHBondContact O-N 3.47Å; P7-L9 VanDerWaalsContact O-N 3.15Å; P7-P31 HydrophobicContact CB-CG 3.96Å; P7-P31 HydrophobicContact CG-CG 4.15Å; P7-Y44 HydrophobicContact CG-CE1 4.27Å; P7-Y44 HydrophobicContact CG-CE2 4.38Å
8R91.8Very high80.1Confident233 Ų23394.7 Ų94.788%0.87954%0.538SS*.PPolyproline II helixtrans-60.3119.7171.9-175.8177.9177.9180-0.2109.4
9L95.9Very high80.8Confident43 Ų4390.1 Ų90.123%0.22551%0.511CS..PPolyproline II helixtrans-74.6155.9176.7-56.9179.1000110.7P7 Y29 R30 Y44 L45 H46 Y235P7-L9 PolarHBondContact O-N 3.47Å; P7-L9 VanDerWaalsContact O-N 3.15Å; L9-Y29 CarbonylContact C-O 3.15Å; L9-Y29 WeakPolarHBondContact CA-O 3.38Å; L9-R30 HydrophobicContact CD2-CG 4.29Å; L9-Y44 HydrophobicContact CD2-CE2 4.07Å; L9-L45 WeakPolarHBondContact CD1-O 3.37Å; L9-H46 HydrophobicContact CD1-CB 4.21Å; L9-H46 HydrophobicContact CD2-CB 4.24Å; L9-Y235 HydrophobicContact CD1-CE1 4.39Å
10L96.4Very high81.4Confident46 Ų4688.5 Ų88.524%0.24150%0.499CS..BIsolated β-bridgetrans-100151.7-178-53.7177.9000110.8G28 Y29 P31L10-G28 PolarHBondContact O-N 2.79Å; L10-Y29 PolarHBondContact N-O 3.25Å; L10-Y29 WeakPolarHBondContact O-CB 3.38Å; L10-Y29 PolarHBondContact O-N 3.43Å; L10-P31 HydrophobicContact CD1-CB 4.23Å; L10-P31 HydrophobicContact CG-CB 4.36Å
11D96.1Very high81.9Confident91 Ų9187.9 Ų87.949%0.48749%0.491SS..PPolyproline II helixtrans-82159.6165-58.2-37.3000110.1A13 S14 S15 L26D11-A13 VanDerWaalsContact C-N 3.27Å; D11-A13 PolarHBondContact O-N 3.07Å; D11-S14 CarbonylContact O-C 3.54Å; D11-S14 PolarHBondContact O-N 2.65Å; D11-S15 PolarHBondContact O-N 2.78Å; D11-L26 CarbonylContact C-O 3.58Å; D11-L26 WeakPolarHBondContact CA-O 3.37Å
12W95.9Very high84.5Confident72 Ų7276.4 Ų76.427%0.27344%0.435SS..G310 helixtrans-50.7-47.1-178.4-178.993.8000112S14 S15 Q20 N22 K23 L26 Y29W12-S14 PolarHBondContact O-N 3.47Å; W12-S15 WeakPolarHBondContact O-CB 3.48Å; W12-S15 PolarHBondContact O-N 3.28Å; W12-S15 VanDerWaalsContact O-N 3.15Å; W12-S15 PolarHBondContact O-OG 3Å; W12-Q20 HydrophobicContact CD2-CG 4.31Å; W12-Q20 HydrophobicContact CH2-CB 4.46Å; W12-Q20 HydrophobicContact CZ2-CB 3.69Å; W12-Q20 HydrophobicContact CZ2-CG 4.21Å; W12-Q20 PolarHBondContact O-NE2 3.23Å; W12-N22 PolarHBondContact NE1-O 3.31Å; W12-K23 HydrophobicContact CZ2-CB 4.31Å; W12-L26 PolarHBondContact N-O 3.4Å; W12-Y29 HydrophobicContact CB-CE2 3.96Å; W12-Y29 AromaticContact CD1-CZ 3.89Å; W12-Y29 HydrophobicContact CG-CE2 4.47Å
13A94.6Very high87.1Confident79 Ų7978.8 Ų78.865%0.65343%0.428SS*.G310 helixtrans-65.4-26.6-178.900000113.5D11D11-A13 VanDerWaalsContact C-N 3.27Å; D11-A13 PolarHBondContact O-N 3.07Å
14S95.4Very high89.6Confident81 Ų8173.5 Ų73.557%0.56641%0.405SS*.G310 helixtrans-94-7.9178.5-55.10000113.1D11 W12D11-S14 CarbonylContact O-C 3.54Å; D11-S14 PolarHBondContact O-N 2.65Å; W12-S14 PolarHBondContact O-N 3.47Å
15S94.6Very high91.7Very high5 Ų565.6 Ų65.64%0.03536%0.364CS..SBendtrans-75.6151.1177.3750000111.4D11 W12 Q20D11-S15 PolarHBondContact O-N 2.78Å; W12-S15 WeakPolarHBondContact O-CB 3.48Å; W12-S15 PolarHBondContact O-N 3.28Å; W12-S15 VanDerWaalsContact O-N 3.15Å; W12-S15 PolarHBondContact O-OG 3Å; S15-Q20 PolarHBondContact O-NE2 2.83Å; S15-Q20 VanDerWaalsContact OG-CG 3.23Å; S15-Q20 WeakPolarHBondContact OG-CG 3.39Å
16P94.5Very high93.4Very high41 Ų4164.1 Ų64.127%0.26634%0.341SS..  trans-53.6143.6173.7-28.433.4000113.2H18 L19P16-H18 WeakPolarHBondContact CB-CE1 3.34Å; P16-H18 PolarHBondContact O-N 3.28Å; P16-L19 HydrophobicContact CG-CD1 4.32Å; P16-L19 PolarHBondContact O-N 3.4Å
17P94.3Very high94.6Very high110 Ų11064.6 Ų64.671%0.71434%0.337SS*.G310 helixtrans-54.8-32.3-174.3-29.735.1000115.4L19 Q20P17-L19 PolarHBondContact O-N 3.09Å; P17-Q20 PolarHBondContact O-N 3.15Å
18H93.6Very high95Very high50 Ų5062 Ų6223%0.23132%0.32CS..G310 helixtrans-71.3-15178.860.2-88.8000113.8P16 Y112P16-H18 WeakPolarHBondContact CB-CE1 3.34Å; P16-H18 PolarHBondContact O-N 3.28Å; H18-Y112 HydrophobicContact CB-CD1 4.07Å; H18-Y112 HydrophobicContact CB-CE1 4.27Å; H18-Y112 HydrophobicContact CB-CG 4.44Å; H18-Y112 AromaticContact CD2-CD2 3.76Å; H18-Y112 AromaticContact CD2-CG 3.57Å; H18-Y112 WeakPolarHBondContact O-CE1 3.39Å; H18-Y112 PolarHBondContact O-OH 3.27Å
19L94Very high95.3Very high7 Ų751.2 Ų51.24%0.03728%0.28CS..G310 helixtrans-95.7-8.5174.4-58.3-178.6000112.7P16 P17 F21 Y29 M103 Y112P16-L19 HydrophobicContact CG-CD1 4.32Å; P16-L19 PolarHBondContact O-N 3.4Å; P17-L19 PolarHBondContact O-N 3.09Å; L19-F21 VanDerWaalsContact O-CD1 3.26Å; L19-F21 WeakPolarHBondContact O-CD1 3.41Å; L19-F21 WeakPolarHBondContact O-CE1 3.27Å; L19-F21 PolarHBondContact O-N 3.28Å; L19-Y29 HydrophobicContact CB-CD1 4.47Å; L19-M103 HydrophobicContact CD2-CB 4.43Å; L19-M103 HydrophobicContact CD2-CE 3.73Å; L19-Y112 HydrophobicContact CD2-CD2 3.71Å; L19-Y112 HydrophobicContact CD2-CE2 3.67Å
20Q93.6Very high95.3Very high57 Ų5749.5 Ų49.527%0.26627%0.27SS..  trans-83.943.1-176.6-67.5-176.28.200113.5W12 S15 P17W12-Q20 HydrophobicContact CD2-CG 4.31Å; W12-Q20 HydrophobicContact CH2-CB 4.46Å; W12-Q20 HydrophobicContact CZ2-CB 3.69Å; W12-Q20 HydrophobicContact CZ2-CG 4.21Å; W12-Q20 PolarHBondContact O-NE2 3.23Å; S15-Q20 PolarHBondContact O-NE2 2.83Å; S15-Q20 VanDerWaalsContact OG-CG 3.23Å; S15-Q20 WeakPolarHBondContact OG-CG 3.39Å; P17-Q20 PolarHBondContact O-N 3.15Å
21F90.3Very high95.3Very high77 Ų7748.7 Ų48.734%0.33827%0.268SS..  trans-86.2-17.1-174.158.1-97.2000114.9L19 M103L19-F21 VanDerWaalsContact O-CD1 3.26Å; L19-F21 WeakPolarHBondContact O-CD1 3.41Å; L19-F21 WeakPolarHBondContact O-CE1 3.27Å; L19-F21 PolarHBondContact O-N 3.28Å; F21-M103 HydrophobicContact CE1-CE 3.86Å; F21-M103 HydrophobicContact CZ-CE 4.3Å
22N94.2Very high95.3Very high6 Ų647.9 Ų47.93%0.03227%0.274CS..  trans-126.6102.7177.7-169.9-7.8000110.6W12 F24 V25 E226W12-N22 PolarHBondContact NE1-O 3.31Å; N22-F24 PolarHBondContact O-N 3.4Å; N22-F24 VanDerWaalsContact O-N 3.16Å; N22-F24 WeakPolarHBondContact OD1-CD2 3.46Å; N22-F24 PolarHBondContact OD1-N 3Å; N22-F24 VanDerWaalsContact OD1-N 3.17Å; N22-V25 PolarHBondContact O-N 3.06Å; N22-E226 PolarHBondContact ND2-OE1 3.37Å
23K95.4Very high95.2Very high141 Ų14145.3 Ų45.361%0.61327%0.267SS*.THydrogen-bonded Turntrans-69.1-7.3-178.269.6179.3-176.81770115W12 L26W12-K23 HydrophobicContact CZ2-CB 4.31Å; K23-L26 WeakPolarHBondContact O-CD2 3.4Å
24F97.4Very high95.3Very high37 Ų3743.6 Ų43.616%0.16225%0.25CS..THydrogen-bonded Turntrans-96.5-14.8-179.1-55.5-61000112.9N22 R223 E226 R227 P230 G231N22-F24 PolarHBondContact O-N 3.4Å; N22-F24 VanDerWaalsContact O-N 3.16Å; N22-F24 WeakPolarHBondContact OD1-CD2 3.46Å; N22-F24 PolarHBondContact OD1-N 3Å; N22-F24 VanDerWaalsContact OD1-N 3.17Å; F24-R223 HydrophobicContact CD2-CB 3.8Å; F24-R223 HydrophobicContact CD2-CG 4.32Å; F24-R223 HydrophobicContact CE2-CB 3.92Å; F24-R223 HydrophobicContact CE2-CG 4.32Å; F24-E226 HydrophobicContact CB-CB 4.07Å; F24-E226 HydrophobicContact CB-CG 3.63Å; F24-E226 HydrophobicContact CD2-CG 4.36Å; F24-E226 HydrophobicContact CG-CG 4.41Å; F24-R227 HydrophobicContact CD2-CB 3.96Å; F24-R227 HydrophobicContact CE1-CB 4.35Å; F24-R227 HydrophobicContact CE1-CG 4.1Å; F24-R227 HydrophobicContact CE2-CB 3.75Å; F24-R227 HydrophobicContact CE2-CG 3.88Å; F24-R227 HydrophobicContact CG-CB 4.35Å; F24-R227 HydrophobicContact CZ-CB 3.96Å; F24-R227 HydrophobicContact CZ-CG 3.63Å; F24-P230 HydrophobicContact CD1-CB 4.42Å; F24-P230 HydrophobicContact CD1-CG 3.94Å; F24-P230 WeakPolarHBondContact O-CA 3.45Å; F24-G231 PolarHBondContact O-N 3.26Å
25V96.9Very high95.4Very high8 Ų840.9 Ų40.95%0.04824%0.235CC..  trans-93.2112.9171173.50000107.6N22 Y29 N47 D234N22-V25 PolarHBondContact O-N 3.06Å; V25-Y29 HydrophobicContact CG1-CE2 4.03Å; V25-Y29 PolarHBondContact O-OH 3.05Å; V25-N47 HydrophobicContact CG1-CB 4.26Å; V25-D234 VanDerWaalsContact CA-OD1 3.23Å; V25-D234 WeakPolarHBondContact CA-OD1 3.4Å; V25-D234 HydrophobicContact CG1-CB 4.29Å
26L97.4Very high95.4Very high70 Ų7043.7 Ų43.737%0.36626%0.255SS..  trans-103.4-26.6-163.5-58.8-175.9000113.6D11 W12 K23 P230 D234D11-L26 CarbonylContact C-O 3.58Å; D11-L26 WeakPolarHBondContact CA-O 3.37Å; W12-L26 PolarHBondContact N-O 3.4Å; K23-L26 WeakPolarHBondContact O-CD2 3.4Å; L26-P230 HydrophobicContact CD1-CB 4.25Å; L26-D234 PolarHBondContact N-OD1 3.44Å; L26-D234 PolarHBondContact N-OD2 3.09Å
27T97.1Very high95.5Very high46 Ų4642.6 Ų42.628%0.28225%0.25SS..SBendtrans-135.8176.7-17371.70000112N47 D234T27-N47 PolarHBondContact O-ND2 3.16Å; T27-N47 VanDerWaalsContact O-ND2 3.16Å; T27-D234 WeakPolarHBondContact CA-OD2 3.48Å; T27-D234 WeakPolarHBondContact CB-OD2 3.38Å; T27-D234 PolarHBondContact N-OD2 3.25Å; T27-D234 PolarHBondContact OG1-OD2 3.2Å
28G95.8Very high95.6Very high1 Ų137.3 Ų37.31%0.0122%0.216CC..  trans83.712.7171.200000114.8L10 H46 N47 Y235L10-G28 PolarHBondContact O-N 2.79Å; G28-H46 WeakPolarHBondContact O-CB 3.45Å; G28-N47 VanDerWaalsContact C-CG 3.46Å; G28-N47 PolarHBondContact O-N 3.19Å; G28-N47 PolarHBondContact O-OD1 3.42Å; G28-N47 VanDerWaalsContact O-OD1 3.05Å; G28-Y235 WeakPolarHBondContact CA-OH 3.38Å
29Y97.5Very high95.8Very high8 Ų839 Ų393%0.03123%0.227CC..BIsolated β-bridgetrans-73.9133.4179.2-72.3-93.2000110.9L9 L10 W12 L19 V25 N47L9-Y29 CarbonylContact C-O 3.15Å; L9-Y29 WeakPolarHBondContact CA-O 3.38Å; L10-Y29 PolarHBondContact N-O 3.25Å; L10-Y29 WeakPolarHBondContact O-CB 3.38Å; L10-Y29 PolarHBondContact O-N 3.43Å; W12-Y29 HydrophobicContact CB-CE2 3.96Å; W12-Y29 AromaticContact CD1-CZ 3.89Å; W12-Y29 HydrophobicContact CG-CE2 4.47Å; L19-Y29 HydrophobicContact CB-CD1 4.47Å; V25-Y29 HydrophobicContact CG1-CE2 4.03Å; V25-Y29 PolarHBondContact O-OH 3.05Å; Y29-N47 WeakPolarHBondContact CD1-ND2 3.33Å; Y29-N47 VanDerWaalsContact CD2-ND2 3.29Å; Y29-N47 WeakPolarHBondContact CD2-ND2 3.05Å; Y29-N47 WeakPolarHBondContact CE2-ND2 3.4Å; Y29-N47 VanDerWaalsContact CG-ND2 3.31Å; Y29-N47 PolarHBondContact N-ND2 2.94Å
30R96.6Very high95.9Very high7 Ų747.1 Ų47.13%0.02626%0.257CS..PPolyproline II helixtrans-73.6137.9176.2-70.9172.7-71.7165.69.9110.6L9 S41 Y44 H46 H100 L101 C104L9-R30 HydrophobicContact CD2-CG 4.29Å; R30-S41 PolarHBondContact NH1-OG 3.13Å; R30-Y44 HydrophobicContact CG-CE2 4.24Å; R30-H46 HydrophobicContact CG-CB 3.87Å; R30-H46 PolarHBondContact NE-CE1 3.24Å; R30-H100 PolarHBondContact NH1-O 3.41Å; R30-H100 PolarHBondContact NH2-O 3.47Å; R30-L101 PolarHBondContact NH1-O 3.25Å; R30-C104 HydrophobicContact CB-CB 3.91Å
31P95.3Very high96.1Very high28 Ų2844.4 Ų44.418%0.18224%0.244CC..PPolyproline II helixtrans-68.4163.2170.630.2-34.4000111.3P7 L10 S33P7-P31 HydrophobicContact CB-CG 3.96Å; P7-P31 HydrophobicContact CG-CG 4.15Å; L10-P31 HydrophobicContact CD1-CB 4.23Å; L10-P31 HydrophobicContact CG-CB 4.36Å; P31-S33 PolarHBondContact O-N 2.79Å; P31-S33 PolarHBondContact O-OG 2.96Å
32A96.1Very high96.3Very high75 Ų7542.9 Ų42.962%0.6224%0.239SC*.PPolyproline II helixtrans-53.7125.6174.800000110.4C104A32-C104 CarbonylContact C-O 3.57Å; A32-C104 WeakPolarHBondContact CA-O 3.41Å
33S95Very high96.4Very high17 Ų1748.5 Ų48.512%0.11926%0.263CS..BIsolated β-bridgetrans-132.4150.3-170.7-65.20000111.6P31 C104 H105 Q106P31-S33 PolarHBondContact O-N 2.79Å; P31-S33 PolarHBondContact O-OG 2.96Å; S33-C104 PolarHBondContact N-O 3.22Å; S33-H105 CarbonylContact O-C 3.57Å; S33-H105 VanDerWaalsContact O-CA 3.31Å; S33-H105 WeakPolarHBondContact O-CA 3.32Å; S33-Q106 PolarHBondContact O-N 3.02Å
34S96.9Very high96.4Very high44 Ų4443.5 Ų43.531%0.30824%0.241SC..  trans-66.7166166.8670000110.6S36 G37 C38S34-S36 VanDerWaalsContact C-N 3.25Å; S34-S36 PolarHBondContact O-N 3.1Å; S34-S36 PolarHBondContact OG-OG 3.45Å; S34-S36 VanDerWaalsContact OG-OG 3.12Å; S34-G37 CarbonylContact O-C 3.46Å; S34-G37 WeakPolarHBondContact O-CA 3.42Å; S34-G37 PolarHBondContact O-N 3.31Å; S34-G37 PolarHBondContact OG-N 3.39Å; S34-C38 PolarHBondContact O-N 3.36Å; S34-C38 PolarHBondContact O-SG 2.82Å; S34-C38 VanDerWaalsContact O-SG 3.4Å
35G96.2Very high96.3Very high23 Ų2346 Ų4624%0.23726%0.255CS..Hα-helixtrans-54.4-39.7176.700000113.5C38 L39 H105G35-C38 WeakPolarHBondContact O-CB 3.06Å; G35-C38 PolarHBondContact O-N 2.88Å; G35-L39 WeakPolarHBondContact O-CG 3.28Å; G35-L39 PolarHBondContact O-N 3.07Å; G35-L39 VanDerWaalsContact O-N 3.07Å; G35-H105 PolarHBondContact N-CD2 3.28Å; G35-H105 PolarHBondContact N-NE2 3.41Å
36S96.1Very high96.3Very high65 Ų6545.6 Ų45.646%0.45525%0.253SS..Hα-helixtrans-68.9-34.3174.659.10000112.6S34 L39 R40S34-S36 VanDerWaalsContact C-N 3.25Å; S34-S36 PolarHBondContact O-N 3.1Å; S34-S36 PolarHBondContact OG-OG 3.45Å; S34-S36 VanDerWaalsContact OG-OG 3.12Å; S36-L39 PolarHBondContact O-N 3.12Å; S36-R40 WeakPolarHBondContact O-CG 3.42Å; S36-R40 PolarHBondContact O-N 2.98Å
37G96Very high96.3Very high17 Ų1742.5 Ų42.518%0.17524%0.237CC..Hα-helixtrans-62-42.9170.600000112.4S34 L39 R40 S41S34-G37 CarbonylContact O-C 3.46Å; S34-G37 WeakPolarHBondContact O-CA 3.42Å; S34-G37 PolarHBondContact O-N 3.31Å; S34-G37 PolarHBondContact OG-N 3.39Å; G37-L39 PolarHBondContact O-N 3.22Å; G37-R40 PolarHBondContact O-N 3.22Å; G37-S41 PolarHBondContact O-N 3.16Å; G37-S41 VanDerWaalsContact O-N 3.13Å
38C97.3Very high96.3Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-59.1-45.8173.5-61.80000111.2S34 G35 R40 S41 L101 F102S34-C38 PolarHBondContact O-N 3.36Å; S34-C38 PolarHBondContact O-SG 2.82Å; S34-C38 VanDerWaalsContact O-SG 3.4Å; G35-C38 WeakPolarHBondContact O-CB 3.06Å; G35-C38 PolarHBondContact O-N 2.88Å; C38-R40 PolarHBondContact O-N 3.24Å; C38-S41 VanDerWaalsContact O-CB 3.31Å; C38-S41 WeakPolarHBondContact O-CB 3.46Å; C38-S41 PolarHBondContact O-N 3.43Å; C38-S41 VanDerWaalsContact O-N 3.07Å; C38-S41 PolarHBondContact O-OG 3.07Å; C38-L101 WeakPolarHBondContact CB-O 3.29Å; C38-L101 WeakPolarHBondContact O-CD1 3.35Å; C38-F102 HydrophobicContact CB-CD1 3.59Å; C38-F102 HydrophobicContact CB-CE1 3.85Å; C38-F102 HydrophobicContact CB-CG 4.39Å
39L97.2Very high96.4Very high86 Ų8641.7 Ų41.745%0.4523%0.23SC..Hα-helixtrans-61.7-41.1176.3-67.2178000112.7G35 S36 G37 S41 L42 L101 F102G35-L39 WeakPolarHBondContact O-CG 3.28Å; G35-L39 PolarHBondContact O-N 3.07Å; G35-L39 VanDerWaalsContact O-N 3.07Å; S36-L39 PolarHBondContact O-N 3.12Å; G37-L39 PolarHBondContact O-N 3.22Å; L39-S41 PolarHBondContact O-N 3.44Å; L39-L42 WeakPolarHBondContact O-CB 3.23Å; L39-L42 WeakPolarHBondContact O-CG 3.14Å; L39-L42 PolarHBondContact O-N 3.25Å; L39-L101 HydrophobicContact CD2-CD2 3.92Å; L39-F102 HydrophobicContact CD2-CE1 4.45Å; L39-F102 HydrophobicContact CD2-CZ 3.78Å; L39-F102 HydrophobicContact CG-CE1 4.48Å; L39-F102 HydrophobicContact CG-CZ 4.23Å
40R96.1Very high96.4Very high177 Ų17741.4 Ų41.467%0.66823%0.229SC*.Hα-helixtrans-63-23.2175.8-71.9174.7-172.6175.22.3112.7S36 G37 C38 L42 F43S36-R40 WeakPolarHBondContact O-CG 3.42Å; S36-R40 PolarHBondContact O-N 2.98Å; G37-R40 PolarHBondContact O-N 3.22Å; C38-R40 PolarHBondContact O-N 3.24Å; R40-L42 PolarHBondContact O-N 2.7Å; R40-F43 PolarHBondContact O-N 2.91Å; R40-F43 VanDerWaalsContact O-N 3.12Å
41S96.4Very high96.5Very high0 Ų041.3 Ų41.30%023%0.229CC..G310 helixtrans-65.3-16.7177.578.50000115R30 G37 C38 L39 F43 Y44 H46R30-S41 PolarHBondContact NH1-OG 3.13Å; G37-S41 PolarHBondContact O-N 3.16Å; G37-S41 VanDerWaalsContact O-N 3.13Å; C38-S41 VanDerWaalsContact O-CB 3.31Å; C38-S41 WeakPolarHBondContact O-CB 3.46Å; C38-S41 PolarHBondContact O-N 3.43Å; C38-S41 VanDerWaalsContact O-N 3.07Å; C38-S41 PolarHBondContact O-OG 3.07Å; L39-S41 PolarHBondContact O-N 3.44Å; S41-F43 PolarHBondContact O-N 3.01Å; S41-Y44 VanDerWaalsContact CB-CZ 3.45Å; S41-Y44 VanDerWaalsContact CB-OH 3.3Å; S41-Y44 WeakPolarHBondContact CB-OH 3.22Å; S41-Y44 PolarHBondContact O-N 2.98Å; S41-H46 PolarHBondContact O-CD2 2.59Å; S41-H46 PolarHBondContact O-NE2 2.88Å; S41-H46 VanDerWaalsContact O-NE2 3.16Å
42L96.5Very high96.6Very high44 Ų4440.2 Ų40.223%0.2322%0.222CC..G310 helixtrans-58.8-21170.5-65.7173.8000113.4L39 R40 I52 Y53 L101L39-L42 WeakPolarHBondContact O-CB 3.23Å; L39-L42 WeakPolarHBondContact O-CG 3.14Å; L39-L42 PolarHBondContact O-N 3.25Å; R40-L42 PolarHBondContact O-N 2.7Å; L42-I52 HydrophobicContact CD2-CG2 3.62Å; L42-Y53 HydrophobicContact CD2-CE2 4.44Å; L42-Y53 PolarHBondContact O-OH 3.16Å; L42-L101 HydrophobicContact CD2-CD1 3.79Å; L42-L101 HydrophobicContact CG-CD1 3.9Å
43F95.9Very high96.7Very high125 Ų12541.2 Ų41.255%0.54821%0.21SC..G310 helixtrans-110.910.8-171.4-53.2-73.6000114.3F3 R40 S41F3-F43 HydrophobicContact CD1-CB 3.8Å; F3-F43 HydrophobicContact CD1-CG 4.42Å; F3-F43 HydrophobicContact CE1-CB 3.83Å; F3-F43 HydrophobicContact CE1-CD1 4.34Å; F3-F43 HydrophobicContact CE1-CD2 4.45Å; F3-F43 AromaticContact CE1-CG 3.96Å; F3-F43 HydrophobicContact CE1-CG 3.96Å; R40-F43 PolarHBondContact O-N 2.91Å; R40-F43 VanDerWaalsContact O-N 3.12Å; S41-F43 PolarHBondContact O-N 3.01Å
44Y94.2Very high96.9Very high36 Ų3641.8 Ų41.814%0.14121%0.213CC..SBendtrans-139.2157.3171.566.3-103.8000111.7P7 L9 R30 S41 H46P7-Y44 HydrophobicContact CG-CE1 4.27Å; P7-Y44 HydrophobicContact CG-CE2 4.38Å; L9-Y44 HydrophobicContact CD2-CE2 4.07Å; R30-Y44 HydrophobicContact CG-CE2 4.24Å; S41-Y44 VanDerWaalsContact CB-CZ 3.45Å; S41-Y44 VanDerWaalsContact CB-OH 3.3Å; S41-Y44 WeakPolarHBondContact CB-OH 3.22Å; S41-Y44 PolarHBondContact O-N 2.98Å; Y44-H46 AromaticContact CD2-CD2 3.93Å; Y44-H46 HydrophobicContact CE2-CB 4.24Å; Y44-H46 AromaticContact CE2-CD2 3.67Å; Y44-H46 PolarHBondContact O-CD2 2.71Å; Y44-H46 VanDerWaalsContact O-CD2 3.28Å
45L96.4Very high96.9Very high88 Ų8840 Ų4046%0.46120%0.2SC..  trans-75.5130.9-175.3-173.863.9000112L9 L49 Y235 W236L9-L45 WeakPolarHBondContact CD1-O 3.37Å; L45-L49 HydrophobicContact CD1-CD2 3.89Å; L45-Y235 HydrophobicContact CD1-CD1 4Å; L45-Y235 HydrophobicContact CD2-CD1 4.03Å; L45-Y235 HydrophobicContact CD2-CE1 4.35Å; L45-Y235 HydrophobicContact CD2-CG 4.48Å; L45-Y235 HydrophobicContact CG-CD1 3.62Å; L45-Y235 HydrophobicContact CG-CE1 4Å; L45-Y235 HydrophobicContact CG-CG 4.45Å; L45-W236 HydrophobicContact CD1-CZ2 4.08Å
46H96.8Very high97Very high0 Ų039.8 Ų39.80%020%0.197CC..  trans-157.2168.2173.860.776.7000110.2L9 G28 R30 S41 Y44 E48 L49L9-H46 HydrophobicContact CD1-CB 4.21Å; L9-H46 HydrophobicContact CD2-CB 4.24Å; G28-H46 WeakPolarHBondContact O-CB 3.45Å; R30-H46 HydrophobicContact CG-CB 3.87Å; R30-H46 PolarHBondContact NE-CE1 3.24Å; S41-H46 PolarHBondContact O-CD2 2.59Å; S41-H46 PolarHBondContact O-NE2 2.88Å; S41-H46 VanDerWaalsContact O-NE2 3.16Å; Y44-H46 AromaticContact CD2-CD2 3.93Å; Y44-H46 HydrophobicContact CE2-CB 4.24Å; Y44-H46 AromaticContact CE2-CD2 3.67Å; Y44-H46 PolarHBondContact O-CD2 2.71Å; Y44-H46 VanDerWaalsContact O-CD2 3.28Å; H46-E48 VanDerWaalsContact C-N 3.3Å; H46-E48 PolarHBondContact ND1-N 3.33Å; H46-E48 PolarHBondContact O-N 3.44Å; H46-L49 PolarHBondContact CE1-N 3.22Å; H46-L49 PolarHBondContact ND1-N 3.47Å; H46-L49 VanDerWaalsContact ND1-N 3.19Å; H46-L49 VanDerWaalsContact O-CB 3.27Å; H46-L49 WeakPolarHBondContact O-CB 3.37Å; H46-L49 PolarHBondContact O-N 3.22Å; H46-L49 VanDerWaalsContact O-N 3.09Å
47N96.8Very high97.1Very high5 Ų542.1 Ų42.13%0.02720%0.204CC..THydrogen-bonded Turntrans-64.5-29.5-173606.7000114.6V25 T27 G28 Y29 L49 D234V25-N47 HydrophobicContact CG1-CB 4.26Å; T27-N47 PolarHBondContact O-ND2 3.16Å; T27-N47 VanDerWaalsContact O-ND2 3.16Å; G28-N47 VanDerWaalsContact C-CG 3.46Å; G28-N47 PolarHBondContact O-N 3.19Å; G28-N47 PolarHBondContact O-OD1 3.42Å; G28-N47 VanDerWaalsContact O-OD1 3.05Å; Y29-N47 WeakPolarHBondContact CD1-ND2 3.33Å; Y29-N47 VanDerWaalsContact CD2-ND2 3.29Å; Y29-N47 WeakPolarHBondContact CD2-ND2 3.05Å; Y29-N47 WeakPolarHBondContact CE2-ND2 3.4Å; Y29-N47 VanDerWaalsContact CG-ND2 3.31Å; Y29-N47 PolarHBondContact N-ND2 2.94Å; N47-L49 VanDerWaalsContact C-N 3.34Å; N47-D234 VanDerWaalsContact CA-O 3.32Å; N47-D234 WeakPolarHBondContact CA-O 3.16Å; N47-D234 WeakPolarHBondContact CB-O 3.41Å
48E97.7Very high97.2Very high10 Ų1041.9 Ų41.95%0.04720%0.201CC..THydrogen-bonded Turntrans-81-4.9175.6-64-62.5161.300114.9H46 G50 N51 I52 H100 M103H46-E48 VanDerWaalsContact C-N 3.3Å; H46-E48 PolarHBondContact ND1-N 3.33Å; H46-E48 PolarHBondContact O-N 3.44Å; E48-G50 PolarHBondContact O-N 3.44Å; E48-N51 WeakPolarHBondContact O-CB 3.34Å; E48-N51 PolarHBondContact O-N 3.09Å; E48-N51 VanDerWaalsContact O-N 3.14Å; E48-N51 PolarHBondContact OE2-ND2 3.48Å; E48-I52 WeakPolarHBondContact O-CG1 3.34Å; E48-I52 PolarHBondContact O-N 3.14Å; E48-I52 VanDerWaalsContact O-N 3.09Å; E48-H100 IonicContact OE2-CE1 3.4Å; E48-H100 PolarHBondContact OE2-CE1 3.33Å; E48-H100 IonicContact OE2-CG 3.69Å; E48-H100 IonicContact OE2-ND1 2.66Å; E48-H100 PolarHBondContact OE2-ND1 3.43Å; E48-M103 HydrophobicContact CG-CE 4.3Å; E48-M103 HydrophobicContact CG-SD 3.58Å; E48-M103 VanDerWaalsContact CG-SD 3.58Å; E48-M103 WeakPolarHBondContact OE1-CE 3.49Å
49L97.3Very high97.3Very high20 Ų2043.4 Ų43.411%0.10521%0.209CC..Hα-helixtrans-63.3-47.2-170.3-168.673.7000111.5L45 H46 N47 N51 I52 Y53 W236L45-L49 HydrophobicContact CD1-CD2 3.89Å; H46-L49 PolarHBondContact CE1-N 3.22Å; H46-L49 PolarHBondContact ND1-N 3.47Å; H46-L49 VanDerWaalsContact ND1-N 3.19Å; H46-L49 VanDerWaalsContact O-CB 3.27Å; H46-L49 WeakPolarHBondContact O-CB 3.37Å; H46-L49 PolarHBondContact O-N 3.22Å; H46-L49 VanDerWaalsContact O-N 3.09Å; N47-L49 VanDerWaalsContact C-N 3.34Å; L49-N51 VanDerWaalsContact C-N 3.27Å; L49-N51 PolarHBondContact O-N 3.06Å; L49-I52 PolarHBondContact O-N 3.32Å; L49-Y53 HydrophobicContact CD1-CD2 3.8Å; L49-Y53 HydrophobicContact CD1-CE2 3.42Å; L49-Y53 VanDerWaalsContact CD1-CE2 3.42Å; L49-Y53 HydrophobicContact CG-CD2 3.86Å; L49-Y53 HydrophobicContact CG-CE2 3.9Å; L49-Y53 WeakPolarHBondContact O-CD2 3.27Å; L49-Y53 PolarHBondContact O-N 3.08Å; L49-W236 HydrophobicContact CD2-CH2 4.48Å; L49-W236 HydrophobicContact CD2-CZ2 4.4Å
50G97.5Very high97.4Very high2 Ų244.6 Ų44.62%0.02122%0.215CC..Hα-helixtrans-61-35.2176.100000112.9E48 T54E48-G50 PolarHBondContact O-N 3.44Å; G50-T54 WeakPolarHBondContact O-CB 3.34Å; G50-T54 WeakPolarHBondContact O-CG2 3.3Å; G50-T54 PolarHBondContact O-N 3.16Å; G50-T54 PolarHBondContact O-OG1 3.49Å
51N98.1Very high97.5Very high5 Ų538 Ų383%0.02720%0.202CC..Hα-helixtrans-64.5-42.6177.3-63.6-28.2000111.3E48 L49 T54 H100 H240 Q241 H244E48-N51 WeakPolarHBondContact O-CB 3.34Å; E48-N51 PolarHBondContact O-N 3.09Å; E48-N51 VanDerWaalsContact O-N 3.14Å; E48-N51 PolarHBondContact OE2-ND2 3.48Å; L49-N51 VanDerWaalsContact C-N 3.27Å; L49-N51 PolarHBondContact O-N 3.06Å; N51-T54 PolarHBondContact O-OG1 3.12Å; N51-T54 VanDerWaalsContact O-OG1 3.12Å; N51-H100 HydrophobicContact CB-CB 4.26Å; N51-H240 PolarHBondContact OD1-CD2 3.48Å; N51-Q241 WeakPolarHBondContact OD1-CG 3.41Å; N51-Q241 PolarHBondContact OD1-N 3.08Å; N51-H244 PolarHBondContact O-ND1 2.72Å; N51-H244 VanDerWaalsContact O-ND1 3.15Å
52I98.6Very high97.6Very high5 Ų538.3 Ų38.33%0.02620%0.203CC..Hα-helixtrans-66.3-50.3177.5-61165000110.9L42 E48 L49 G56 H100 L101L42-I52 HydrophobicContact CD2-CG2 3.62Å; E48-I52 WeakPolarHBondContact O-CG1 3.34Å; E48-I52 PolarHBondContact O-N 3.14Å; E48-I52 VanDerWaalsContact O-N 3.09Å; L49-I52 PolarHBondContact O-N 3.32Å; I52-G56 WeakPolarHBondContact O-CA 3.34Å; I52-G56 PolarHBondContact O-N 3.15Å; I52-H100 HydrophobicContact CG1-CB 3.68Å; I52-L101 HydrophobicContact CD1-CB 4.43Å; I52-L101 HydrophobicContact CD1-CD1 4.13Å
53Y98.3Very high97.6Very high96 Ų9640.5 Ų40.538%0.37622%0.215SC..Hα-helixtrans-71.2-36.8-172.7-86.2-99.6000112.9L42 L49 H55 G56 L57L42-Y53 HydrophobicContact CD2-CE2 4.44Å; L42-Y53 PolarHBondContact O-OH 3.16Å; L49-Y53 HydrophobicContact CD1-CD2 3.8Å; L49-Y53 HydrophobicContact CD1-CE2 3.42Å; L49-Y53 VanDerWaalsContact CD1-CE2 3.42Å; L49-Y53 HydrophobicContact CG-CD2 3.86Å; L49-Y53 HydrophobicContact CG-CE2 3.9Å; L49-Y53 WeakPolarHBondContact O-CD2 3.27Å; L49-Y53 PolarHBondContact O-N 3.08Å; Y53-H55 PolarHBondContact O-N 2.79Å; Y53-G56 PolarHBondContact O-N 2.75Å; Y53-L57 WeakPolarHBondContact O-CB 3.39Å; Y53-L57 VanDerWaalsContact O-CG 3.27Å; Y53-L57 WeakPolarHBondContact O-CG 3.43Å; Y53-L57 PolarHBondContact O-N 3.38Å
54T98.1Very high97.7Very high29 Ų2938.7 Ų38.718%0.17821%0.214CC..Hα-helixtrans-59.9-4817847.80000112G50 N51 A58 H244 L245G50-T54 WeakPolarHBondContact O-CB 3.34Å; G50-T54 WeakPolarHBondContact O-CG2 3.3Å; G50-T54 PolarHBondContact O-N 3.16Å; G50-T54 PolarHBondContact O-OG1 3.49Å; N51-T54 PolarHBondContact O-OG1 3.12Å; N51-T54 VanDerWaalsContact O-OG1 3.12Å; T54-A58 WeakPolarHBondContact O-CB 3.46Å; T54-A58 PolarHBondContact O-N 3.16Å; T54-H244 PolarHBondContact OG1-ND1 2.92Å; T54-L245 HydrophobicContact CG2-CD2 3.68Å; T54-L245 HydrophobicContact CG2-CG 4.02Å
55H98.3Very high97.9Very high8 Ų839.8 Ų39.84%0.03722%0.222CC..Hα-helixtrans-79.9-29.7176.4-82.2-130000112.8Y53 A58 L59 P93 S96 V97 H244 S247Y53-H55 PolarHBondContact O-N 2.79Å; H55-A58 PolarHBondContact O-N 3.25Å; H55-L59 WeakPolarHBondContact O-CB 3Å; H55-L59 PolarHBondContact O-N 3.44Å; H55-P93 HydrophobicContact CB-CB 4.04Å; H55-P93 WeakPolarHBondContact ND1-CA 3.37Å; H55-P93 WeakPolarHBondContact O-CB 3.31Å; H55-S96 WeakPolarHBondContact ND1-CB 3.18Å; H55-S96 PolarHBondContact ND1-OG 3.23Å; H55-V97 HydrophobicContact CB-CG2 3.82Å; H55-H244 VanDerWaalsContact CD2-CB 3.44Å; H55-H244 WeakPolarHBondContact CD2-CB 3.19Å; H55-H244 AromaticContact CD2-CE1 3.83Å; H55-H244 AromaticContact CD2-CG 3.3Å; H55-H244 AromaticContact CD2-ND1 3.16Å; H55-H244 PolarHBondContact CD2-ND1 2.7Å; H55-H244 AromaticContact CG-ND1 3.86Å; H55-H244 VanDerWaalsContact NE2-CA 3.33Å; H55-H244 WeakPolarHBondContact NE2-CA 3.23Å; H55-H244 VanDerWaalsContact NE2-CB 3.35Å; H55-H244 WeakPolarHBondContact NE2-CB 3.27Å; H55-H244 AromaticContact NE2-CD2 3.61Å; H55-H244 AromaticContact NE2-CG 3.23Å; H55-H244 AromaticContact NE2-ND1 3.56Å; H55-S247 PolarHBondContact CE1-OG 3.34Å; H55-S247 PolarHBondContact NE2-OG 2.83Å
56G98.3Very high97.9Very high17 Ų1735.6 Ų35.618%0.17520%0.2CC..Hα-helixtrans-64.3-47.9177.400000112.6I52 Y53 A58 L59 L60 V97I52-G56 WeakPolarHBondContact O-CA 3.34Å; I52-G56 PolarHBondContact O-N 3.15Å; Y53-G56 PolarHBondContact O-N 2.75Å; G56-A58 VanDerWaalsContact C-N 3.35Å; G56-L59 PolarHBondContact O-N 3.16Å; G56-L60 WeakPolarHBondContact O-CG 3.39Å; G56-L60 PolarHBondContact O-N 2.92Å; G56-L60 VanDerWaalsContact O-N 3.13Å; G56-V97 VanDerWaalsContact CA-CG2 3.5Å; G56-V97 VanDerWaalsContact N-CG2 3.28Å
57L98.2Very high97.7Very high114 Ų11438.4 Ų38.460%0.59722%0.218SC*.Hα-helixtrans-64.8-40.7175.3-66.7174.1000111.3Y53 L60 G61Y53-L57 WeakPolarHBondContact O-CB 3.39Å; Y53-L57 VanDerWaalsContact O-CG 3.27Å; Y53-L57 WeakPolarHBondContact O-CG 3.43Å; Y53-L57 PolarHBondContact O-N 3.38Å; L57-L60 PolarHBondContact O-N 2.88Å; L57-G61 PolarHBondContact O-N 3.17Å
58A98.3Very high97.6Very high12 Ų1245.4 Ų45.410%0.09925%0.252CS..Hα-helixtrans-62.4-41.5175.300000112.4T54 H55 G56 G61 F62 V248T54-A58 WeakPolarHBondContact O-CB 3.46Å; T54-A58 PolarHBondContact O-N 3.16Å; H55-A58 PolarHBondContact O-N 3.25Å; G56-A58 VanDerWaalsContact C-N 3.35Å; A58-G61 PolarHBondContact O-N 3.47Å; A58-F62 HydrophobicContact CB-CD2 4.49Å; A58-F62 HydrophobicContact CB-CE2 4.18Å; A58-F62 WeakPolarHBondContact O-CB 3.29Å; A58-F62 VanDerWaalsContact O-CD2 3.29Å; A58-F62 WeakPolarHBondContact O-CD2 3.38Å; A58-F62 VanDerWaalsContact O-CG 3.28Å; A58-F62 WeakPolarHBondContact O-CG 3.47Å; A58-F62 PolarHBondContact O-N 3.31Å; A58-V248 HydrophobicContact CB-CB 4.27Å; A58-V248 HydrophobicContact CB-CG1 3.69Å; A58-V248 HydrophobicContact CB-CG2 3.5Å; A58-V248 VanDerWaalsContact CB-CG2 3.5Å
59L98.6Very high97.6Very high32 Ų3247.7 Ų47.717%0.16827%0.267CS..Hα-helixtrans-59.6-50.6176.8-179.360.3000111.2H55 G56 G61 F62 L63 L90 P93 A94H55-L59 WeakPolarHBondContact O-CB 3Å; H55-L59 PolarHBondContact O-N 3.44Å; G56-L59 PolarHBondContact O-N 3.16Å; L59-G61 VanDerWaalsContact C-N 3.3Å; L59-G61 PolarHBondContact O-N 3.36Å; L59-F62 PolarHBondContact O-N 3.27Å; L59-L63 HydrophobicContact CD1-CD1 4.46Å; L59-L63 HydrophobicContact CD1-CG 4.38Å; L59-L63 HydrophobicContact CG-CD1 4.19Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 2.95Å; L59-L90 HydrophobicContact CD1-CD2 4.05Å; L59-P93 HydrophobicContact CB-CB 4.05Å; L59-P93 HydrophobicContact CB-CG 4.4Å; L59-P93 HydrophobicContact CD1-CG 4.2Å; L59-A94 HydrophobicContact CD1-CB 4.06Å; L59-A94 HydrophobicContact CD2-CB 4.21Å
60L98.3Very high97.5Very high112 Ų11247.1 Ų47.159%0.58626%0.264SS*.Hα-helixtrans-60.2-42.7177.9-65.1178.3000111.2G56 L57 L63G56-L60 WeakPolarHBondContact O-CG 3.39Å; G56-L60 PolarHBondContact O-N 2.92Å; G56-L60 VanDerWaalsContact O-N 3.13Å; L57-L60 PolarHBondContact O-N 2.88Å; L60-L63 PolarHBondContact O-N 3.07Å
61G98.3Very high97.4Very high38 Ų3847.7 Ų47.739%0.39227%0.267SS..Hα-helixtrans-60.3-47.817500000112.6L57 A58 L59 V64 L65L57-G61 PolarHBondContact O-N 3.17Å; A58-G61 PolarHBondContact O-N 3.47Å; L59-G61 VanDerWaalsContact C-N 3.3Å; L59-G61 PolarHBondContact O-N 3.36Å; G61-V64 PolarHBondContact O-N 3.12Å; G61-L65 VanDerWaalsContact O-CB 3.22Å; G61-L65 WeakPolarHBondContact O-CB 3.44Å; G61-L65 PolarHBondContact O-N 3.44Å
62F98.4Very high97.2Very high6 Ų652.7 Ų52.73%0.02629%0.286CS..Hα-helixtrans-70.5-30.5-179.2-67.2-32.7000113.8A58 L59 V64 L65 V66 P67 L90 P93 V248 I251 L252A58-F62 HydrophobicContact CB-CD2 4.49Å; A58-F62 HydrophobicContact CB-CE2 4.18Å; A58-F62 WeakPolarHBondContact O-CB 3.29Å; A58-F62 VanDerWaalsContact O-CD2 3.29Å; A58-F62 WeakPolarHBondContact O-CD2 3.38Å; A58-F62 VanDerWaalsContact O-CG 3.28Å; A58-F62 WeakPolarHBondContact O-CG 3.47Å; A58-F62 PolarHBondContact O-N 3.31Å; L59-F62 PolarHBondContact O-N 3.27Å; F62-V64 PolarHBondContact O-N 3.24Å; F62-L65 HydrophobicContact CD1-CD2 4.18Å; F62-L65 HydrophobicContact CE1-CD2 4.39Å; F62-V66 HydrophobicContact CB-CG2 4.12Å; F62-V66 HydrophobicContact CD1-CG2 4.36Å; F62-V66 WeakPolarHBondContact O-CB 3.23Å; F62-V66 WeakPolarHBondContact O-CG2 3.32Å; F62-V66 PolarHBondContact O-N 3.41Å; F62-P67 WeakPolarHBondContact O-CD 3.12Å; F62-L90 HydrophobicContact CB-CD2 3.72Å; F62-P93 HydrophobicContact CD2-CG 4.17Å; F62-V248 HydrophobicContact CZ-CG1 4.15Å; F62-I251 HydrophobicContact CD2-CG2 4.2Å; F62-I251 HydrophobicContact CE1-CG2 4.18Å; F62-I251 HydrophobicContact CE2-CB 3.96Å; F62-I251 HydrophobicContact CE2-CD1 4.22Å; F62-I251 HydrophobicContact CE2-CG2 3.51Å; F62-I251 HydrophobicContact CZ-CB 3.84Å; F62-I251 HydrophobicContact CZ-CG2 3.5Å; F62-L252 HydrophobicContact CE1-CD2 3.64Å; F62-L252 HydrophobicContact CE1-CG 3.84Å; F62-L252 HydrophobicContact CZ-CD2 4.32Å; F62-L252 HydrophobicContact CZ-CG 4Å
63L98Very high96.9Very high91 Ų9156.6 Ų56.648%0.47633%0.327SS..Hα-helixtrans-60.4-28.3173-78.5170.1000112.4L59 L60 P67 L90L59-L63 HydrophobicContact CD1-CD1 4.46Å; L59-L63 HydrophobicContact CD1-CG 4.38Å; L59-L63 HydrophobicContact CG-CD1 4.19Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 2.95Å; L60-L63 PolarHBondContact O-N 3.07Å; L63-P67 WeakPolarHBondContact O-CD 3.4Å; L63-P67 WeakPolarHBondContact O-CG 3.33Å; L63-L90 HydrophobicContact CD2-CD1 4.08Å; L63-L90 HydrophobicContact CD2-CD2 3.89Å; L63-L90 HydrophobicContact CG-CD2 3.96Å
64V97.6Very high96.7Very high86 Ų8656.5 Ų56.552%0.52133%0.33SS..Hα-helixtrans-94.4-53176.3-179.50000110.7G61 F62 V66 M68G61-V64 PolarHBondContact O-N 3.12Å; F62-V64 PolarHBondContact O-N 3.24Å; V64-V66 PolarHBondContact O-N 2.95Å; V64-M68 HydrophobicContact CG1-SD 3.54Å; V64-M68 VanDerWaalsContact CG1-SD 3.54Å; V64-M68 WeakPolarHBondContact O-CB 3.39Å; V64-M68 WeakPolarHBondContact O-CG 3.26Å; V64-M68 PolarHBondContact O-N 3.39Å
65L97.4Very high96.3Very high60 Ų6055.6 Ų55.631%0.31432%0.324SS..Hα-helixtrans-57.2-55.1-174.4179.970.2000111.5G61 F62 M68 T69 L252G61-L65 VanDerWaalsContact O-CB 3.22Å; G61-L65 WeakPolarHBondContact O-CB 3.44Å; G61-L65 PolarHBondContact O-N 3.44Å; F62-L65 HydrophobicContact CD1-CD2 4.18Å; F62-L65 HydrophobicContact CE1-CD2 4.39Å; L65-M68 PolarHBondContact O-N 2.92Å; L65-T69 HydrophobicContact CD1-CG2 3.77Å; L65-T69 HydrophobicContact CG-CG2 4.47Å; L65-T69 WeakPolarHBondContact O-CG2 3.49Å; L65-T69 PolarHBondContact O-N 3.33Å; L65-T69 PolarHBondContact O-OG1 3.05Å; L65-L252 HydrophobicContact CD2-CD2 3.94Å
66V96.5Very high95.9Very high0 Ų058.4 Ų58.40%036%0.355CS..Hα-helixtrans-65.3-48.1-168.1-179.10000112F62 V64 M68 M70 C86 C89F62-V66 HydrophobicContact CB-CG2 4.12Å; F62-V66 HydrophobicContact CD1-CG2 4.36Å; F62-V66 WeakPolarHBondContact O-CB 3.23Å; F62-V66 WeakPolarHBondContact O-CG2 3.32Å; F62-V66 PolarHBondContact O-N 3.41Å; V64-V66 PolarHBondContact O-N 2.95Å; V66-M68 VanDerWaalsContact C-N 3.3Å; V66-M68 PolarHBondContact O-N 3.13Å; V66-M70 HydrophobicContact CG1-CG 4.03Å; V66-M70 VanDerWaalsContact O-CB 3.29Å; V66-M70 WeakPolarHBondContact O-CB 3.48Å; V66-M70 WeakPolarHBondContact O-CG 3.28Å; V66-M70 PolarHBondContact O-N 2.89Å; V66-C86 HydrophobicContact CG1-CB 4.4Å; V66-C86 VanDerWaalsContact CG1-SG 3.56Å; V66-C89 HydrophobicContact CG2-CB 3.9Å
67P93.6Very high95.4Very high58 Ų5865.9 Ų65.938%0.37738%0.383SS..Hα-helixtrans-63.9-33.3176.4-24.236.6000113.5F62 L63 W72F62-P67 WeakPolarHBondContact O-CD 3.12Å; L63-P67 WeakPolarHBondContact O-CD 3.4Å; L63-P67 WeakPolarHBondContact O-CG 3.33Å; P67-W72 PolarHBondContact O-NE1 3.22Å
68M95.3Very high95.1Very high152 Ų15261.8 Ų61.875%0.74936%0.362SS*.Hα-helixtrans-77.2-31.9-176.3-71.5-173.376.200114V64 L65 V66V64-M68 HydrophobicContact CG1-SD 3.54Å; V64-M68 VanDerWaalsContact CG1-SD 3.54Å; V64-M68 WeakPolarHBondContact O-CB 3.39Å; V64-M68 WeakPolarHBondContact O-CG 3.26Å; V64-M68 PolarHBondContact O-N 3.39Å; L65-M68 PolarHBondContact O-N 2.92Å; V66-M68 VanDerWaalsContact C-N 3.3Å; V66-M68 PolarHBondContact O-N 3.13Å
69T96.1Very high94.9Very high58 Ų5862.6 Ų62.636%0.35637%0.371SS..Hα-helixtrans-97.6-15.1-175.656.30000113.5L65 H255L65-T69 HydrophobicContact CD1-CG2 3.77Å; L65-T69 HydrophobicContact CG-CG2 4.47Å; L65-T69 WeakPolarHBondContact O-CG2 3.49Å; L65-T69 PolarHBondContact O-N 3.33Å; L65-T69 PolarHBondContact O-OG1 3.05Å; T69-H255 PolarHBondContact OG1-CE1 3.4Å; T69-H255 PolarHBondContact OG1-NE2 3.5Å
70M95.9Very high94.7Very high9 Ų966.6 Ų66.64%0.04438%0.384CS..SBendtrans-68.4137.3178.4-83.4-65.1-62.300111.6V66 W72 L75 H85 V259 L262V66-M70 HydrophobicContact CG1-CG 4.03Å; V66-M70 VanDerWaalsContact O-CB 3.29Å; V66-M70 WeakPolarHBondContact O-CB 3.48Å; V66-M70 WeakPolarHBondContact O-CG 3.28Å; V66-M70 PolarHBondContact O-N 2.89Å; M70-W72 HydrophobicContact CB-CD2 4.09Å; M70-W72 VanDerWaalsContact CB-CE2 3.46Å; M70-W72 HydrophobicContact CB-CG 4.36Å; M70-W72 HydrophobicContact CB-CZ2 3.77Å; M70-W72 HydrophobicContact CG-CZ2 4.13Å; M70-W72 PolarHBondContact O-N 2.82Å; M70-L75 HydrophobicContact CE-CD1 4.11Å; M70-H85 VanDerWaalsContact SD-CD2 3.57Å; M70-V259 HydrophobicContact SD-CG2 3.78Å; M70-L262 HydrophobicContact CE-CD1 3.59Å; M70-L262 HydrophobicContact SD-CD1 4.38Å
71P94.9Very high94.6Very high13 Ų1361.3 Ų61.38%0.08436%0.356CS..  trans-8150-174.136.2-41.4000113.1G73 Q74 L75 L262 L263P71-G73 VanDerWaalsContact C-N 3.31Å; P71-G73 PolarHBondContact O-N 3.39Å; P71-G73 VanDerWaalsContact O-N 3.12Å; P71-Q74 HydrophobicContact CB-CB 4.46Å; P71-Q74 PolarHBondContact O-N 2.8Å; P71-L75 HydrophobicContact CG-CD2 3.94Å; P71-L75 HydrophobicContact CG-CG 4.36Å; P71-L75 WeakPolarHBondContact O-CG 3.48Å; P71-L75 PolarHBondContact O-N 3.31Å; P71-L262 HydrophobicContact CG-CB 4.3Å; P71-L263 HydrophobicContact CB-CD1 4.5Å; P71-L263 HydrophobicContact CB-CD2 3.31Å; P71-L263 HydrophobicContact CB-CG 3.71Å; P71-L263 HydrophobicContact CG-CD2 4.02Å; P71-L263 HydrophobicContact CG-CG 3.91Å
72W94.1Very high94.5Very high111 Ų11159.5 Ų59.542%0.4234%0.337SS..G310 helixtrans-48.6-45.7-169.3-61.8108.9000114.6P67 M70 Q74 L75 G82 C86P67-W72 PolarHBondContact O-NE1 3.22Å; M70-W72 HydrophobicContact CB-CD2 4.09Å; M70-W72 VanDerWaalsContact CB-CE2 3.46Å; M70-W72 HydrophobicContact CB-CG 4.36Å; M70-W72 HydrophobicContact CB-CZ2 3.77Å; M70-W72 HydrophobicContact CG-CZ2 4.13Å; M70-W72 PolarHBondContact O-N 2.82Å; W72-Q74 PolarHBondContact O-N 3.49Å; W72-L75 HydrophobicContact CE3-CD1 4.06Å; W72-L75 HydrophobicContact CZ3-CD1 4.46Å; W72-L75 PolarHBondContact O-N 2.91Å; W72-G82 VanDerWaalsContact CH2-C 3.46Å; W72-G82 WeakPolarHBondContact CH2-O 3.45Å; W72-C86 WeakPolarHBondContact CH2-SG 3.48Å; W72-C86 WeakPolarHBondContact CZ2-SG 3.25Å
73G92.8Very high94.3Very high86 Ų8660.7 Ų60.789%0.88735%0.352SS*.G310 helixtrans-66.6-15.5-179.200000114.6P71P71-G73 VanDerWaalsContact C-N 3.31Å; P71-G73 PolarHBondContact O-N 3.39Å; P71-G73 VanDerWaalsContact O-N 3.12Å
74Q92.9Very high94.2Very high95 Ų9557.7 Ų57.744%0.44434%0.337SS..G310 helixtrans-104.6-11.4-177.2-57.7-18047.300112.8P71 W72 G76 A266 H267P71-Q74 HydrophobicContact CB-CB 4.46Å; P71-Q74 PolarHBondContact O-N 2.8Å; W72-Q74 PolarHBondContact O-N 3.49Å; Q74-G76 PolarHBondContact O-N 3.12Å; Q74-A266 HydrophobicContact CB-CB 4.39Å; Q74-A266 VanDerWaalsContact O-CB 3.31Å; Q74-A266 WeakPolarHBondContact O-CB 3.39Å; Q74-H267 PolarHBondContact OE1-NE2 2.98Å
75L91.6Very high94.2Very high9 Ų953.6 Ų53.65%0.04731%0.312CS..  trans-72.7-26.5-174.7-65.1179000113.4M70 P71 W72 K77 D78 L262M70-L75 HydrophobicContact CE-CD1 4.11Å; P71-L75 HydrophobicContact CG-CD2 3.94Å; P71-L75 HydrophobicContact CG-CG 4.36Å; P71-L75 WeakPolarHBondContact O-CG 3.48Å; P71-L75 PolarHBondContact O-N 3.31Å; W72-L75 HydrophobicContact CE3-CD1 4.06Å; W72-L75 HydrophobicContact CZ3-CD1 4.46Å; W72-L75 PolarHBondContact O-N 2.91Å; L75-K77 PolarHBondContact O-N 3.15Å; L75-K77 VanDerWaalsContact O-N 3.12Å; L75-D78 WeakPolarHBondContact O-CA 3.44Å; L75-D78 WeakPolarHBondContact O-CB 3.43Å; L75-D78 PolarHBondContact O-N 2.88Å; L75-L262 HydrophobicContact CD2-CB 3.85Å; L75-L262 HydrophobicContact CD2-CD1 4.17Å; L75-L262 HydrophobicContact CD2-CD2 4.49Å; L75-L262 HydrophobicContact CD2-CG 4.41Å
76G89.6Confident94.2Very high68 Ų6851.6 Ų51.670%0.70130%0.303SS*.G310 helixtrans48.7-119.6-178.400000112.4Q74 D78 G79Q74-G76 PolarHBondContact O-N 3.12Å; G76-D78 PolarHBondContact O-N 3.28Å; G76-G79 PolarHBondContact O-N 2.94Å
77K87.9Confident94.3Very high174 Ų17454.8 Ų54.876%0.75732%0.322SS*.G310 helixtrans-64.5-22.5178.269.3-176.1-175-172.60114.4L75 G79L75-K77 PolarHBondContact O-N 3.15Å; L75-K77 VanDerWaalsContact O-N 3.12Å; K77-G79 VanDerWaalsContact C-N 3.28Å; K77-G79 PolarHBondContact O-N 3.14Å
78D91.5Very high94.5Very high28 Ų2852 Ų5215%0.1530%0.304CS..G310 helixtrans-91.712.7-178.2-65-50.2000112.1L75 G76 W80 L81 H136L75-D78 WeakPolarHBondContact O-CA 3.44Å; L75-D78 WeakPolarHBondContact O-CB 3.43Å; L75-D78 PolarHBondContact O-N 2.88Å; G76-D78 PolarHBondContact O-N 3.28Å; D78-W80 PolarHBondContact O-N 3.39Å; D78-W80 VanDerWaalsContact O-N 3.09Å; D78-L81 HydrophobicContact CB-CD1 4.17Å; D78-L81 WeakPolarHBondContact O-CB 3.36Å; D78-L81 PolarHBondContact O-N 2.67Å; D78-H136 IonicContact OD1-CE1 3.26Å; D78-H136 PolarHBondContact OD1-CE1 3.49Å; D78-H136 VanDerWaalsContact OD1-CE1 3.26Å; D78-H136 IonicContact OD1-NE2 3.72Å; D78-H136 IonicContact OD2-NE2 3.93Å
79G93.1Very high94.7Very high28 Ų2844.8 Ų44.829%0.28927%0.269SS..Hα-helixtrans-55.9-27177.300000114.5G76 K77 L81 G82 G83G76-G79 PolarHBondContact O-N 2.94Å; K77-G79 VanDerWaalsContact C-N 3.28Å; K77-G79 PolarHBondContact O-N 3.14Å; G79-L81 VanDerWaalsContact C-N 3.25Å; G79-L81 PolarHBondContact O-N 3.02Å; G79-G82 PolarHBondContact O-N 2.97Å; G79-G82 VanDerWaalsContact O-N 3.07Å; G79-G83 PolarHBondContact O-N 3.5Å
80W95Very high94.8Very high117 Ų11743.8 Ų43.844%0.44326%0.261SS..Hα-helixtrans-61.7-31.3174.370.5-90000112.7D78 G82 G83 T84 L132 L150D78-W80 PolarHBondContact O-N 3.39Å; D78-W80 VanDerWaalsContact O-N 3.09Å; W80-G82 VanDerWaalsContact C-N 3.28Å; W80-G82 PolarHBondContact O-N 3.14Å; W80-G83 PolarHBondContact O-N 2.96Å; W80-T84 HydrophobicContact CE3-CG2 4.01Å; W80-T84 HydrophobicContact CZ3-CG2 4.35Å; W80-T84 WeakPolarHBondContact O-CG2 3.4Å; W80-T84 PolarHBondContact O-N 3.35Å; W80-T84 PolarHBondContact O-OG1 3.47Å; W80-L132 HydrophobicContact CZ3-CD1 4.12Å; W80-L150 HydrophobicContact CH2-CD1 4.45Å
81L96.1Very high94.9Very high0 Ų044.3 Ų44.30%027%0.267CS..Hα-helixtrans-66-33.6174.6-72171.4000111.6D78 G79 T84 H85 L132 P133 H136 L262D78-L81 HydrophobicContact CB-CD1 4.17Å; D78-L81 WeakPolarHBondContact O-CB 3.36Å; D78-L81 PolarHBondContact O-N 2.67Å; G79-L81 VanDerWaalsContact C-N 3.25Å; G79-L81 PolarHBondContact O-N 3.02Å; L81-T84 WeakPolarHBondContact CA-OG1 3.2Å; L81-T84 PolarHBondContact O-OG1 3.27Å; L81-T84 VanDerWaalsContact O-OG1 3.09Å; L81-H85 WeakPolarHBondContact O-CB 3.48Å; L81-H85 PolarHBondContact O-N 2.75Å; L81-L132 HydrophobicContact CD2-CB 4.16Å; L81-P133 HydrophobicContact CD2-CG 4.18Å; L81-H136 HydrophobicContact CD1-CB 3.96Å; L81-H136 HydrophobicContact CD2-CB 4.41Å; L81-L262 HydrophobicContact CB-CD2 4.02Å; L81-L262 HydrophobicContact CD1-CD2 3.75Å
82G95.4Very high95.1Very high0 Ų044.1 Ų44.10%027%0.266CS..Hα-helixtrans-66.1-42.7173.700000111.8W72 G79 W80 H85 C86W72-G82 VanDerWaalsContact CH2-C 3.46Å; W72-G82 WeakPolarHBondContact CH2-O 3.45Å; G79-G82 PolarHBondContact O-N 2.97Å; G79-G82 VanDerWaalsContact O-N 3.07Å; W80-G82 VanDerWaalsContact C-N 3.28Å; W80-G82 PolarHBondContact O-N 3.14Å; G82-H85 PolarHBondContact O-N 3.4Å; G82-C86 PolarHBondContact O-N 3.16Å; G82-C86 PolarHBondContact O-SG 3.4Å
83G95.1Very high95.3Very high32 Ų3238.9 Ų38.933%0.3325%0.246SC..Hα-helixtrans-62.4-48.1175.100000112.8G79 W80 H85 C86 V87G79-G83 PolarHBondContact O-N 3.5Å; W80-G83 PolarHBondContact O-N 2.96Å; G83-H85 VanDerWaalsContact C-N 3.33Å; G83-H85 PolarHBondContact O-N 3.4Å; G83-C86 WeakPolarHBondContact O-CB 3.31Å; G83-C86 PolarHBondContact O-N 3.47Å; G83-V87 WeakPolarHBondContact O-CG2 3.04Å; G83-V87 PolarHBondContact O-N 3.1Å; G83-V87 VanDerWaalsContact O-N 3.09Å
84T96.1Very high95.6Very high27 Ų2736.3 Ų36.317%0.16622%0.216CC..Hα-helixtrans-64.8-37.3178.656.70000112.1W80 L81 V87 A88 L129W80-T84 HydrophobicContact CE3-CG2 4.01Å; W80-T84 HydrophobicContact CZ3-CG2 4.35Å; W80-T84 WeakPolarHBondContact O-CG2 3.4Å; W80-T84 PolarHBondContact O-N 3.35Å; W80-T84 PolarHBondContact O-OG1 3.47Å; L81-T84 WeakPolarHBondContact CA-OG1 3.2Å; L81-T84 PolarHBondContact O-OG1 3.27Å; L81-T84 VanDerWaalsContact O-OG1 3.09Å; T84-V87 PolarHBondContact O-N 3.18Å; T84-A88 WeakPolarHBondContact O-CB 3.44Å; T84-A88 PolarHBondContact O-N 2.66Å; T84-L129 HydrophobicContact CG2-CD2 4.21Å
85H97.8Very high95.8Very high0 Ų032 Ų320%020%0.197CC..Hα-helixtrans-64.9-39.2174.1-176.661.4000112.8M70 L81 G82 G83 A88 C89 P133 H255 V258M70-H85 VanDerWaalsContact SD-CD2 3.57Å; L81-H85 WeakPolarHBondContact O-CB 3.48Å; L81-H85 PolarHBondContact O-N 2.75Å; G82-H85 PolarHBondContact O-N 3.4Å; G83-H85 VanDerWaalsContact C-N 3.33Å; G83-H85 PolarHBondContact O-N 3.4Å; H85-A88 WeakPolarHBondContact O-CB 3.43Å; H85-A88 PolarHBondContact O-N 3.42Å; H85-C89 VanDerWaalsContact CE1-SG 3.57Å; H85-C89 PolarHBondContact O-N 2.83Å; H85-C89 PolarHBondContact O-SG 2.96Å; H85-P133 HydrophobicContact CB-CG 4.45Å; H85-H255 AromaticContact CD2-ND1 3.9Å; H85-H255 AromaticContact NE2-CG 3.85Å; H85-H255 AromaticContact NE2-ND1 3.13Å; H85-H255 PolarHBondContact NE2-ND1 3.3Å; H85-H255 VanDerWaalsContact NE2-ND1 3.13Å; H85-V258 HydrophobicContact CB-CG1 4.5Å
86C97.7Very high96.1Very high18 Ų1831.6 Ų31.612%0.12220%0.195CC..Hα-helixtrans-59.7-47.7173.1-700000111.3V66 W72 G82 G83 A88 C89 L90V66-C86 HydrophobicContact CG1-CB 4.4Å; V66-C86 VanDerWaalsContact CG1-SG 3.56Å; W72-C86 WeakPolarHBondContact CH2-SG 3.48Å; W72-C86 WeakPolarHBondContact CZ2-SG 3.25Å; G82-C86 PolarHBondContact O-N 3.16Å; G82-C86 PolarHBondContact O-SG 3.4Å; G83-C86 WeakPolarHBondContact O-CB 3.31Å; G83-C86 PolarHBondContact O-N 3.47Å; C86-A88 VanDerWaalsContact C-N 3.3Å; C86-A88 PolarHBondContact O-N 3.38Å; C86-C89 PolarHBondContact O-N 3.33Å; C86-L90 WeakPolarHBondContact O-CB 3.33Å; C86-L90 VanDerWaalsContact O-CG 3.26Å; C86-L90 WeakPolarHBondContact O-CG 3.35Å; C86-L90 PolarHBondContact O-N 3.01Å
87V98.1Very high96.6Very high67 Ų6729.5 Ų29.541%0.40617%0.169SC..Hα-helixtrans-61.1-41.9176.1178.10000110.7G83 T84 C89 L90 A91 L125 L129G83-V87 WeakPolarHBondContact O-CG2 3.04Å; G83-V87 PolarHBondContact O-N 3.1Å; G83-V87 VanDerWaalsContact O-N 3.09Å; T84-V87 PolarHBondContact O-N 3.18Å; V87-C89 VanDerWaalsContact C-N 3.32Å; V87-C89 PolarHBondContact O-N 3.39Å; V87-L90 PolarHBondContact O-N 3.42Å; V87-A91 HydrophobicContact CG1-CB 4.34Å; V87-A91 WeakPolarHBondContact O-CB 3.29Å; V87-A91 PolarHBondContact O-N 3.29Å; V87-L125 HydrophobicContact CG1-CD1 4.31Å; V87-L129 HydrophobicContact CB-CD1 3.84Å; V87-L129 HydrophobicContact CG1-CD1 3.64Å
88A98.2Very high97.1Very high0 Ų024.9 Ų24.90%015%0.152CC..Hα-helixtrans-58-42.1177.100000112.3T84 H85 C86 P92 V126 L129T84-A88 WeakPolarHBondContact O-CB 3.44Å; T84-A88 PolarHBondContact O-N 2.66Å; H85-A88 WeakPolarHBondContact O-CB 3.43Å; H85-A88 PolarHBondContact O-N 3.42Å; C86-A88 VanDerWaalsContact C-N 3.3Å; C86-A88 PolarHBondContact O-N 3.38Å; A88-P92 WeakPolarHBondContact O-CD 3.45Å; A88-V126 HydrophobicContact CB-CG2 4.4Å; A88-V126 VanDerWaalsContact O-CB 3.28Å; A88-V126 WeakPolarHBondContact O-CB 3.34Å; A88-V126 VanDerWaalsContact O-CG2 3.28Å; A88-V126 WeakPolarHBondContact O-CG2 3.44Å; A88-L129 HydrophobicContact CB-CB 3.9Å
89C98.4Very high97.4Very high0 Ų024 Ų240%015%0.146CC..Hα-helixtrans-76.7-33.5-178.6-62.60000113.1V66 H85 C86 V87 P93 I251V66-C89 HydrophobicContact CG2-CB 3.9Å; H85-C89 VanDerWaalsContact CE1-SG 3.57Å; H85-C89 PolarHBondContact O-N 2.83Å; H85-C89 PolarHBondContact O-SG 2.96Å; C86-C89 PolarHBondContact O-N 3.33Å; V87-C89 VanDerWaalsContact C-N 3.32Å; V87-C89 PolarHBondContact O-N 3.39Å; C89-P93 WeakPolarHBondContact O-CD 3.35Å; C89-P93 WeakPolarHBondContact O-CG 3.42Å; C89-I251 HydrophobicContact CB-CG2 3.86Å
90L98.6Very high97.6Very high38 Ų3822.7 Ų22.720%0.19913%0.133CC..Hα-helixtrans-92.1-33-172.5-64.3172.9000113.7L59 F62 L63 C86 V87 P93 A94L59-L90 HydrophobicContact CD1-CD2 4.05Å; F62-L90 HydrophobicContact CB-CD2 3.72Å; L63-L90 HydrophobicContact CD2-CD1 4.08Å; L63-L90 HydrophobicContact CD2-CD2 3.89Å; L63-L90 HydrophobicContact CG-CD2 3.96Å; C86-L90 WeakPolarHBondContact O-CB 3.33Å; C86-L90 VanDerWaalsContact O-CG 3.26Å; C86-L90 WeakPolarHBondContact O-CG 3.35Å; C86-L90 PolarHBondContact O-N 3.01Å; V87-L90 PolarHBondContact O-N 3.42Å; L90-P93 VanDerWaalsContact O-CD 3.27Å; L90-P93 WeakPolarHBondContact O-CD 3.49Å; L90-P93 WeakPolarHBondContact O-CG 3.47Å; L90-A94 VanDerWaalsContact O-CB 3.23Å; L90-A94 WeakPolarHBondContact O-CB 3.47Å; L90-A94 PolarHBondContact O-N 2.93Å
91A98.4Very high97.8Very high20 Ų2017.7 Ų17.717%0.16512%0.115CC..Hα-helixtrans-64.1-44.6-17300000114V87 A94 G95 L125V87-A91 HydrophobicContact CG1-CB 4.34Å; V87-A91 WeakPolarHBondContact O-CB 3.29Å; V87-A91 PolarHBondContact O-N 3.29Å; A91-A94 PolarHBondContact O-N 3.32Å; A91-G95 PolarHBondContact O-N 3.03Å; A91-L125 HydrophobicContact CB-CB 4.17Å; A91-L125 HydrophobicContact CB-CD1 3.75Å
92P98.3Very high97.9Very high8 Ų819.9 Ų19.95%0.05213%0.125CC..Hα-helixtrans-59.9-51.8177-16.525.1000113.9A88 A94 G95 S96 G122 V126 I251A88-P92 WeakPolarHBondContact O-CD 3.45Å; P92-A94 PolarHBondContact O-N 3.05Å; P92-G95 PolarHBondContact O-N 3.22Å; P92-S96 WeakPolarHBondContact O-CB 3.27Å; P92-S96 PolarHBondContact O-N 3.48Å; P92-G122 WeakPolarHBondContact CG-O 3.22Å; P92-V126 HydrophobicContact CG-CB 3.5Å; P92-V126 HydrophobicContact CG-CG1 3.54Å; P92-V126 HydrophobicContact CG-CG2 4.2Å; P92-I251 HydrophobicContact CB-CD1 4.24Å; P92-I251 HydrophobicContact CG-CD1 4.13Å
93P98.5Very high98Very high1 Ų120.2 Ų20.21%0.00613%0.126CC..Hα-helixtrans-67.8-34.5179.327.7-34.4000113.1H55 L59 F62 C89 L90 V97H55-P93 HydrophobicContact CB-CB 4.04Å; H55-P93 WeakPolarHBondContact ND1-CA 3.37Å; H55-P93 WeakPolarHBondContact O-CB 3.31Å; L59-P93 HydrophobicContact CB-CB 4.05Å; L59-P93 HydrophobicContact CB-CG 4.4Å; L59-P93 HydrophobicContact CD1-CG 4.2Å; F62-P93 HydrophobicContact CD2-CG 4.17Å; C89-P93 WeakPolarHBondContact O-CD 3.35Å; C89-P93 WeakPolarHBondContact O-CG 3.42Å; L90-P93 VanDerWaalsContact O-CD 3.27Å; L90-P93 WeakPolarHBondContact O-CD 3.49Å; L90-P93 WeakPolarHBondContact O-CG 3.47Å; P93-V97 WeakPolarHBondContact O-CB 3.46Å; P93-V97 WeakPolarHBondContact O-CG2 3.26Å; P93-V97 PolarHBondContact O-N 2.9Å
94A98.6Very high98.1Very high32 Ų3219 Ų1926%0.26411%0.112SC..Hα-helixtrans-63.7-49.2174.500000112.7L59 L90 A91 P92 L98L59-A94 HydrophobicContact CD1-CB 4.06Å; L59-A94 HydrophobicContact CD2-CB 4.21Å; L90-A94 VanDerWaalsContact O-CB 3.23Å; L90-A94 WeakPolarHBondContact O-CB 3.47Å; L90-A94 PolarHBondContact O-N 2.93Å; A91-A94 PolarHBondContact O-N 3.32Å; P92-A94 PolarHBondContact O-N 3.05Å; A94-L98 WeakPolarHBondContact O-CG 3.48Å; A94-L98 PolarHBondContact O-N 2.87Å; A94-L98 VanDerWaalsContact O-N 3.13Å
95G98.3Very high98.1Very high4 Ų419.9 Ų19.94%0.04112%0.115CC..Hα-helixtrans-61.6-45.2178.400000112.2A91 P92 L98 Y99A91-G95 PolarHBondContact O-N 3.03Å; P92-G95 PolarHBondContact O-N 3.22Å; G95-L98 PolarHBondContact O-N 3.5Å; G95-Y99 WeakPolarHBondContact O-CB 3.22Å; G95-Y99 PolarHBondContact O-N 3Å
96S98.3Very high98.1Very high1 Ų126.2 Ų26.21%0.00714%0.144CC..Hα-helixtrans-62.2-46.4178.9179.70000112.5H55 P92 L98 Y99 H100 D119 H244H55-S96 WeakPolarHBondContact ND1-CB 3.18Å; H55-S96 PolarHBondContact ND1-OG 3.23Å; P92-S96 WeakPolarHBondContact O-CB 3.27Å; P92-S96 PolarHBondContact O-N 3.48Å; S96-L98 PolarHBondContact O-N 3.29Å; S96-Y99 PolarHBondContact O-N 3.47Å; S96-H100 PolarHBondContact O-CD2 3.46Å; S96-H100 VanDerWaalsContact O-CD2 3.23Å; S96-H100 PolarHBondContact O-N 2.91Å; S96-H100 PolarHBondContact OG-CD2 3.42Å; S96-D119 WeakPolarHBondContact CA-OD1 3.26Å; S96-D119 WeakPolarHBondContact CB-OD1 3.46Å; S96-D119 PolarHBondContact N-OD1 3.44Å; S96-H244 PolarHBondContact OG-CE1 2.78Å; S96-H244 PolarHBondContact OG-NE2 3Å
97V98.6Very high98Very high24 Ų2427.1 Ų27.115%0.14516%0.156CC..Hα-helixtrans-60.4-46.5177.4169.50000110.9H55 G56 P93 Y99 L101H55-V97 HydrophobicContact CB-CG2 3.82Å; G56-V97 VanDerWaalsContact CA-CG2 3.5Å; G56-V97 VanDerWaalsContact N-CG2 3.28Å; P93-V97 WeakPolarHBondContact O-CB 3.46Å; P93-V97 WeakPolarHBondContact O-CG2 3.26Å; P93-V97 PolarHBondContact O-N 2.9Å; V97-Y99 VanDerWaalsContact C-N 3.34Å; V97-Y99 PolarHBondContact O-N 2.95Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 PolarHBondContact O-N 2.8Å
98L98.4Very high97.9Very high77 Ų7725 Ų2540%0.40315%0.148SC..Hα-helixtrans-61.5-43.6178.2-71.2172.1000111.5A94 G95 S96 F102 L118A94-L98 WeakPolarHBondContact O-CG 3.48Å; A94-L98 PolarHBondContact O-N 2.87Å; A94-L98 VanDerWaalsContact O-N 3.13Å; G95-L98 PolarHBondContact O-N 3.5Å; S96-L98 PolarHBondContact O-N 3.29Å; L98-F102 HydrophobicContact CD2-CD2 4.47Å; L98-F102 HydrophobicContact CD2-CE2 4.28Å; L98-F102 WeakPolarHBondContact O-CB 3.17Å; L98-F102 WeakPolarHBondContact O-CD2 3.4Å; L98-F102 PolarHBondContact O-N 2.89Å; L98-F102 VanDerWaalsContact O-N 3.12Å; L98-L118 HydrophobicContact CB-CD2 4.31Å; L98-L118 HydrophobicContact CD1-CD2 3.74Å
99Y98.4Very high97.8Very high9 Ų928.4 Ų28.44%0.03517%0.172CC..Hα-helixtrans-62.3-59.1176.8168.5-112.6000111.9G95 S96 V97 L101 F102 M103 Y112 L115 L116 D119G95-Y99 WeakPolarHBondContact O-CB 3.22Å; G95-Y99 PolarHBondContact O-N 3Å; S96-Y99 PolarHBondContact O-N 3.47Å; V97-Y99 VanDerWaalsContact C-N 3.34Å; V97-Y99 PolarHBondContact O-N 2.95Å; Y99-L101 VanDerWaalsContact C-N 3.27Å; Y99-L101 PolarHBondContact O-N 3.27Å; Y99-F102 PolarHBondContact O-N 3.49Å; Y99-M103 HydrophobicContact CD2-CB 4.33Å; Y99-M103 HydrophobicContact CE2-CB 4.09Å; Y99-M103 WeakPolarHBondContact O-CA 3.46Å; Y99-M103 VanDerWaalsContact O-CB 3.24Å; Y99-M103 WeakPolarHBondContact O-CB 3.28Å; Y99-M103 PolarHBondContact O-N 3.44Å; Y99-Y112 AromaticContact CE2-CD2 3.92Å; Y99-Y112 HydrophobicContact CE2-CD2 3.92Å; Y99-Y112 AromaticContact CE2-CE2 3.62Å; Y99-Y112 HydrophobicContact CE2-CE2 3.62Å; Y99-Y112 AromaticContact CZ-CE2 3.79Å; Y99-Y112 WeakPolarHBondContact OH-CE2 3.24Å; Y99-Y112 PolarHBondContact OH-OH 3.34Å; Y99-L115 HydrophobicContact CD2-CB 3.78Å; Y99-L116 HydrophobicContact CD2-CB 4.09Å; Y99-L116 HydrophobicContact CE1-CD1 4.19Å; Y99-L116 HydrophobicContact CE2-CB 3.76Å; Y99-L116 HydrophobicContact CE2-CD1 4.05Å; Y99-L116 HydrophobicContact CE2-CG 4.45Å; Y99-D119 HydrophobicContact CD1-CB 4.4Å; Y99-D119 HydrophobicContact CG-CB 4.22Å
100H98.4Very high97.7Very high1 Ų132.1 Ų32.11%0.00520%0.195CC..Hα-helixtrans-65-31.6-176-73.9-73.7000112.4R30 E48 N51 I52 S96 H240 H244R30-H100 PolarHBondContact NH1-O 3.41Å; R30-H100 PolarHBondContact NH2-O 3.47Å; E48-H100 IonicContact OE2-CE1 3.4Å; E48-H100 PolarHBondContact OE2-CE1 3.33Å; E48-H100 IonicContact OE2-CG 3.69Å; E48-H100 IonicContact OE2-ND1 2.66Å; E48-H100 PolarHBondContact OE2-ND1 3.43Å; N51-H100 HydrophobicContact CB-CB 4.26Å; I52-H100 HydrophobicContact CG1-CB 3.68Å; S96-H100 PolarHBondContact O-CD2 3.46Å; S96-H100 VanDerWaalsContact O-CD2 3.23Å; S96-H100 PolarHBondContact O-N 2.91Å; S96-H100 PolarHBondContact OG-CD2 3.42Å; H100-H240 AromaticContact CE1-CD2 3.67Å; H100-H240 AromaticContact CE1-NE2 3.18Å; H100-H240 PolarHBondContact CE1-NE2 3Å; H100-H240 AromaticContact NE2-CD2 3.78Å; H100-H240 AromaticContact NE2-NE2 3.01Å; H100-H240 PolarHBondContact NE2-NE2 2.88Å; H100-H244 AromaticContact CD2-CE1 3.56Å; H100-H244 AromaticContact NE2-CE1 3.38Å; H100-H244 PolarHBondContact NE2-CE1 2.93Å; H100-H244 AromaticContact NE2-NE2 3.47Å; H100-H244 PolarHBondContact NE2-NE2 2.72Å
101L98.4Very high97.6Very high12 Ų1232.3 Ų32.36%0.06320%0.197CC..Hα-helixtrans-69-44.9176.6-175.753.4000111.8R30 C38 L39 L42 I52 V97 Y99R30-L101 PolarHBondContact NH1-O 3.25Å; C38-L101 WeakPolarHBondContact CB-O 3.29Å; C38-L101 WeakPolarHBondContact O-CD1 3.35Å; L39-L101 HydrophobicContact CD2-CD2 3.92Å; L42-L101 HydrophobicContact CD2-CD1 3.79Å; L42-L101 HydrophobicContact CG-CD1 3.9Å; I52-L101 HydrophobicContact CD1-CB 4.43Å; I52-L101 HydrophobicContact CD1-CD1 4.13Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 PolarHBondContact O-N 2.8Å; Y99-L101 VanDerWaalsContact C-N 3.27Å; Y99-L101 PolarHBondContact O-N 3.27Å
102F98.4Very high97.6Very high47 Ų4732.7 Ų32.721%0.20620%0.195CC..Hα-helixtrans-104.23.8-171.1-66.3-80.5000115.1C38 L39 L98 Y99 C104 H105 L115C38-F102 HydrophobicContact CB-CD1 3.59Å; C38-F102 HydrophobicContact CB-CE1 3.85Å; C38-F102 HydrophobicContact CB-CG 4.39Å; L39-F102 HydrophobicContact CD2-CE1 4.45Å; L39-F102 HydrophobicContact CD2-CZ 3.78Å; L39-F102 HydrophobicContact CG-CE1 4.48Å; L39-F102 HydrophobicContact CG-CZ 4.23Å; L98-F102 HydrophobicContact CD2-CD2 4.47Å; L98-F102 HydrophobicContact CD2-CE2 4.28Å; L98-F102 WeakPolarHBondContact O-CB 3.17Å; L98-F102 WeakPolarHBondContact O-CD2 3.4Å; L98-F102 PolarHBondContact O-N 2.89Å; L98-F102 VanDerWaalsContact O-N 3.12Å; Y99-F102 PolarHBondContact O-N 3.49Å; F102-C104 PolarHBondContact O-N 3.43Å; F102-C104 VanDerWaalsContact O-N 3.14Å; F102-H105 WeakPolarHBondContact O-CB 3.41Å; F102-H105 PolarHBondContact O-N 2.91Å; F102-L115 HydrophobicContact CB-CD1 3.55Å
103M96.9Very high97.5Very high6 Ų634.9 Ų34.93%0.0321%0.214CC..THydrogen-bonded Turntrans-60.4-25.1-179.663.6-168.5-71.200114.3L19 F21 E48 Y99 H105 Y112L19-M103 HydrophobicContact CD2-CB 4.43Å; L19-M103 HydrophobicContact CD2-CE 3.73Å; F21-M103 HydrophobicContact CE1-CE 3.86Å; F21-M103 HydrophobicContact CZ-CE 4.3Å; E48-M103 HydrophobicContact CG-CE 4.3Å; E48-M103 HydrophobicContact CG-SD 3.58Å; E48-M103 VanDerWaalsContact CG-SD 3.58Å; E48-M103 WeakPolarHBondContact OE1-CE 3.49Å; Y99-M103 HydrophobicContact CD2-CB 4.33Å; Y99-M103 HydrophobicContact CE2-CB 4.09Å; Y99-M103 WeakPolarHBondContact O-CA 3.46Å; Y99-M103 VanDerWaalsContact O-CB 3.24Å; Y99-M103 WeakPolarHBondContact O-CB 3.28Å; Y99-M103 PolarHBondContact O-N 3.44Å; M103-H105 VanDerWaalsContact C-N 3.29Å; M103-Y112 HydrophobicContact CB-CD2 4.06Å; M103-Y112 HydrophobicContact CB-CE2 4.39Å; M103-Y112 HydrophobicContact CE-CE2 4.23Å
104C96.5Very high97.4Very high6 Ų643.5 Ų43.54%0.04125%0.246CC..THydrogen-bonded Turntrans-89.414.2175.168.20000113.4R30 A32 S33 F102R30-C104 HydrophobicContact CB-CB 3.91Å; A32-C104 CarbonylContact C-O 3.57Å; A32-C104 WeakPolarHBondContact CA-O 3.41Å; S33-C104 PolarHBondContact N-O 3.22Å; F102-C104 PolarHBondContact O-N 3.43Å; F102-C104 VanDerWaalsContact O-N 3.14Å
105H97.8Very high97.3Very high47 Ų4743.2 Ų43.222%0.21824%0.24CC..BIsolated β-bridgetrans-63.1140.9-178.6-171.3-99.2000111.9S33 G35 F102 M103 G107 G108 V111S33-H105 CarbonylContact O-C 3.57Å; S33-H105 VanDerWaalsContact O-CA 3.31Å; S33-H105 WeakPolarHBondContact O-CA 3.32Å; G35-H105 PolarHBondContact N-CD2 3.28Å; G35-H105 PolarHBondContact N-NE2 3.41Å; F102-H105 WeakPolarHBondContact O-CB 3.41Å; F102-H105 PolarHBondContact O-N 2.91Å; M103-H105 VanDerWaalsContact C-N 3.29Å; H105-G107 PolarHBondContact ND1-N 3.3Å; H105-G107 VanDerWaalsContact ND1-N 3.14Å; H105-G107 PolarHBondContact O-N 2.81Å; H105-G108 PolarHBondContact O-N 3.27Å; H105-V111 HydrophobicContact CB-CG1 4.06Å
106Q96.3Very high97.2Very high133 Ų13344.3 Ų44.362%0.62124%0.244SC*.THydrogen-bonded Turntrans-58.6-14.2-179.266.5-175.57.500114.9S33 G108S33-Q106 PolarHBondContact O-N 3.02Å; Q106-G108 PolarHBondContact O-N 3.43Å
107G96.2Very high97.1Very high36 Ų3646.1 Ų46.137%0.37126%0.259SS..THydrogen-bonded Turntrans-69.4-1.1170.200000114.4H105H105-G107 PolarHBondContact ND1-N 3.3Å; H105-G107 VanDerWaalsContact ND1-N 3.14Å; H105-G107 PolarHBondContact O-N 2.81Å
108G96Very high97.1Very high23 Ų2348.7 Ų48.724%0.23727%0.272CS..Hα-helixtrans66.6-147.7165.800000114.4H105 Q106 T110 V111 Y112H105-G108 PolarHBondContact O-N 3.27Å; Q106-G108 PolarHBondContact O-N 3.43Å; G108-T110 VanDerWaalsContact C-N 3.28Å; G108-T110 PolarHBondContact O-N 2.81Å; G108-V111 PolarHBondContact O-N 3.33Å; G108-Y112 WeakPolarHBondContact O-CB 3.42Å; G108-Y112 PolarHBondContact O-N 3.14Å
109S96.1Very high97Very high71 Ų7145.6 Ų45.650%0.49726%0.256SS..Hα-helixtrans-61.2-31.9-171.657.30000113.8A113S109-A113 VanDerWaalsContact O-CB 3.32Å; S109-A113 WeakPolarHBondContact O-CB 3.21Å; S109-A113 PolarHBondContact O-N 3.13Å
110T96.5Very high96.9Very high79 Ų7946.2 Ų46.249%0.48526%0.26SS..Hα-helixtrans-67.5-46.2178.3-53.30000111.7G108 A113 R114G108-T110 VanDerWaalsContact C-N 3.28Å; G108-T110 PolarHBondContact O-N 2.81Å; T110-A113 PolarHBondContact O-N 3.5Å; T110-R114 WeakPolarHBondContact O-CG 3.19Å; T110-R114 PolarHBondContact O-N 3.48Å; T110-R114 VanDerWaalsContact O-N 3.16Å
111V97.3Very high96.8Very high42 Ų4248.5 Ų48.526%0.25528%0.275SS..Hα-helixtrans-66.1-43.9176.61740000109.9H105 G108 A113 R114 L115H105-V111 HydrophobicContact CB-CG1 4.06Å; G108-V111 PolarHBondContact O-N 3.33Å; V111-A113 PolarHBondContact O-N 2.99Å; V111-R114 PolarHBondContact O-N 3Å; V111-L115 HydrophobicContact CG1-CD1 3.7Å; V111-L115 HydrophobicContact CG1-CG 4.2Å; V111-L115 WeakPolarHBondContact O-CB 3.45Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.46Å
112Y97.2Very high96.8Very high28 Ų2848 Ų4811%0.1127%0.273CS..Hα-helixtrans-53.2-49.8173.9173.7-91.7000112.5H18 L19 Y99 M103 G108 R114 L115 L116H18-Y112 HydrophobicContact CB-CD1 4.07Å; H18-Y112 HydrophobicContact CB-CE1 4.27Å; H18-Y112 HydrophobicContact CB-CG 4.44Å; H18-Y112 AromaticContact CD2-CD2 3.76Å; H18-Y112 AromaticContact CD2-CG 3.57Å; H18-Y112 WeakPolarHBondContact O-CE1 3.39Å; H18-Y112 PolarHBondContact O-OH 3.27Å; L19-Y112 HydrophobicContact CD2-CD2 3.71Å; L19-Y112 HydrophobicContact CD2-CE2 3.67Å; Y99-Y112 AromaticContact CE2-CD2 3.92Å; Y99-Y112 HydrophobicContact CE2-CD2 3.92Å; Y99-Y112 AromaticContact CE2-CE2 3.62Å; Y99-Y112 HydrophobicContact CE2-CE2 3.62Å; Y99-Y112 AromaticContact CZ-CE2 3.79Å; Y99-Y112 WeakPolarHBondContact OH-CE2 3.24Å; Y99-Y112 PolarHBondContact OH-OH 3.34Å; M103-Y112 HydrophobicContact CB-CD2 4.06Å; M103-Y112 HydrophobicContact CB-CE2 4.39Å; M103-Y112 HydrophobicContact CE-CE2 4.23Å; G108-Y112 WeakPolarHBondContact O-CB 3.42Å; G108-Y112 PolarHBondContact O-N 3.14Å; Y112-R114 PolarHBondContact O-N 2.85Å; Y112-L115 PolarHBondContact O-N 3.27Å; Y112-L116 HydrophobicContact CE1-CD2 4.04Å; Y112-L116 WeakPolarHBondContact O-CB 3.1Å; Y112-L116 PolarHBondContact O-N 3.12Å
113A95.6Very high96.8Very high54 Ų5447.8 Ų47.845%0.44628%0.275SS..Hα-helixtrans-65-39.2-17800000112.6S109 T110 V111 L116 A117S109-A113 VanDerWaalsContact O-CB 3.32Å; S109-A113 WeakPolarHBondContact O-CB 3.21Å; S109-A113 PolarHBondContact O-N 3.13Å; T110-A113 PolarHBondContact O-N 3.5Å; V111-A113 PolarHBondContact O-N 2.99Å; A113-L116 PolarHBondContact O-N 3.45Å; A113-A117 WeakPolarHBondContact O-CB 3.34Å; A113-A117 PolarHBondContact O-N 3.38Å
114R96.9Very high96.8Very high182 Ų18248.2 Ų48.269%0.68728%0.279SS*.Hα-helixtrans-66.6-42.9176.2-71.1177.3-177.31791.5112T110 V111 Y112 A117 L118T110-R114 WeakPolarHBondContact O-CG 3.19Å; T110-R114 PolarHBondContact O-N 3.48Å; T110-R114 VanDerWaalsContact O-N 3.16Å; V111-R114 PolarHBondContact O-N 3Å; Y112-R114 PolarHBondContact O-N 2.85Å; R114-A117 PolarHBondContact O-N 3.23Å; R114-L118 PolarHBondContact O-N 2.8Å
115L97.6Very high96.9Very high26 Ų2651.2 Ų51.214%0.13629%0.294CS..Hα-helixtrans-66.3-40.7176.6-71.8172.2000111.6Y99 F102 V111 Y112 A117 L118 D119Y99-L115 HydrophobicContact CD2-CB 3.78Å; F102-L115 HydrophobicContact CB-CD1 3.55Å; V111-L115 HydrophobicContact CG1-CD1 3.7Å; V111-L115 HydrophobicContact CG1-CG 4.2Å; V111-L115 WeakPolarHBondContact O-CB 3.45Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.46Å; Y112-L115 PolarHBondContact O-N 3.27Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 2.93Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 3.24Å; L115-D119 PolarHBondContact O-N 3.47Å
116L95.9Very high96.9Very high26 Ų2650.1 Ų50.114%0.13629%0.291CS..Hα-helixtrans-63.3-40.1174.3-178.359.5000111.3Y99 Y112 A113 L118 D119 M120Y99-L116 HydrophobicContact CD2-CB 4.09Å; Y99-L116 HydrophobicContact CE1-CD1 4.19Å; Y99-L116 HydrophobicContact CE2-CB 3.76Å; Y99-L116 HydrophobicContact CE2-CD1 4.05Å; Y99-L116 HydrophobicContact CE2-CG 4.45Å; Y112-L116 HydrophobicContact CE1-CD2 4.04Å; Y112-L116 WeakPolarHBondContact O-CB 3.1Å; Y112-L116 PolarHBondContact O-N 3.12Å; A113-L116 PolarHBondContact O-N 3.45Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 2.96Å; L116-D119 PolarHBondContact O-N 3.18Å; L116-M120 VanDerWaalsContact O-CG 3.29Å; L116-M120 WeakPolarHBondContact O-CG 3.24Å; L116-M120 PolarHBondContact O-N 3.44Å
117A96.2Very high96.9Very high39 Ų3945.1 Ų45.132%0.32227%0.268SS..Hα-helixtrans-62.3-40.1173.600000111.6A113 R114 L115 M120 C121 L165A113-A117 WeakPolarHBondContact O-CB 3.34Å; A113-A117 PolarHBondContact O-N 3.38Å; R114-A117 PolarHBondContact O-N 3.23Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 2.93Å; A117-M120 PolarHBondContact O-N 3.35Å; A117-C121 WeakPolarHBondContact O-CB 3.48Å; A117-C121 PolarHBondContact O-N 3.25Å; A117-C121 PolarHBondContact O-SG 3.41Å; A117-L165 HydrophobicContact CB-CD2 4.12Å; A117-L165 WeakPolarHBondContact O-CD2 3.31Å
118L97.2Very high97Very high78 Ų7844.2 Ų44.241%0.40826%0.256SS..Hα-helixtrans-62.8-44.1175.6-178.765.4000112.4L98 R114 L115 L116 C121 G122L98-L118 HydrophobicContact CB-CD2 4.31Å; L98-L118 HydrophobicContact CD1-CD2 3.74Å; R114-L118 PolarHBondContact O-N 2.8Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 3.24Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 2.96Å; L118-C121 WeakPolarHBondContact O-CB 3.5Å; L118-C121 PolarHBondContact O-N 2.95Å; L118-G122 PolarHBondContact O-N 3.2Å; L118-G122 VanDerWaalsContact O-N 3.12Å
119D97.9Very high97.1Very high12 Ų1244.5 Ų44.56%0.06425%0.252CS..Hα-helixtrans-60-47.4174.1179.238.6000111.3S96 Y99 L115 L116 C121 G122 V123S96-D119 WeakPolarHBondContact CA-OD1 3.26Å; S96-D119 WeakPolarHBondContact CB-OD1 3.46Å; S96-D119 PolarHBondContact N-OD1 3.44Å; Y99-D119 HydrophobicContact CD1-CB 4.4Å; Y99-D119 HydrophobicContact CG-CB 4.22Å; L115-D119 PolarHBondContact O-N 3.47Å; L116-D119 PolarHBondContact O-N 3.18Å; D119-C121 VanDerWaalsContact C-N 3.32Å; D119-C121 PolarHBondContact O-N 3Å; D119-G122 WeakPolarHBondContact O-CA 3.37Å; D119-G122 PolarHBondContact O-N 3.37Å; D119-V123 PolarHBondContact O-N 3.21Å
120M95.8Very high97.2Very high23 Ų2341.3 Ų41.311%0.11323%0.229CC..Hα-helixtrans-63.1-35.8175.8-66.7-56.391.200112.7L116 A117 G122 V123 C124 L165L116-M120 VanDerWaalsContact O-CG 3.29Å; L116-M120 WeakPolarHBondContact O-CG 3.24Å; L116-M120 PolarHBondContact O-N 3.44Å; A117-M120 PolarHBondContact O-N 3.35Å; M120-G122 VanDerWaalsContact C-N 3.28Å; M120-G122 PolarHBondContact O-N 3.21Å; M120-V123 HydrophobicContact CE-CG2 4.22Å; M120-V123 PolarHBondContact O-N 3.47Å; M120-C124 PolarHBondContact O-N 2.96Å; M120-C124 PolarHBondContact O-SG 2.85Å; M120-L165 HydrophobicContact CB-CD2 3.81Å
121C97.2Very high97.3Very high48 Ų4837.6 Ų37.632%0.32421%0.207SC..Hα-helixtrans-58.9-40.2171.8-77.20000111.4A117 L118 D119 V123 C124 L125A117-C121 WeakPolarHBondContact O-CB 3.48Å; A117-C121 PolarHBondContact O-N 3.25Å; A117-C121 PolarHBondContact O-SG 3.41Å; L118-C121 WeakPolarHBondContact O-CB 3.5Å; L118-C121 PolarHBondContact O-N 2.95Å; D119-C121 VanDerWaalsContact C-N 3.32Å; D119-C121 PolarHBondContact O-N 3Å; C121-V123 PolarHBondContact O-N 3.48Å; C121-C124 PolarHBondContact O-N 2.95Å; C121-L125 WeakPolarHBondContact O-CB 3.31Å; C121-L125 VanDerWaalsContact O-CG 3.26Å; C121-L125 WeakPolarHBondContact O-CG 3.33Å; C121-L125 PolarHBondContact O-N 3.02Å
122G97.9Very high97.3Very high3 Ų336.1 Ų36.13%0.03120%0.197CC..Hα-helixtrans-56.7-48.217300000112.3P92 L118 D119 M120 C124 L125 V126P92-G122 WeakPolarHBondContact CG-O 3.22Å; L118-G122 PolarHBondContact O-N 3.2Å; L118-G122 VanDerWaalsContact O-N 3.12Å; D119-G122 WeakPolarHBondContact O-CA 3.37Å; D119-G122 PolarHBondContact O-N 3.37Å; M120-G122 VanDerWaalsContact C-N 3.28Å; M120-G122 PolarHBondContact O-N 3.21Å; G122-C124 PolarHBondContact O-N 2.84Å; G122-L125 PolarHBondContact O-N 3.25Å; G122-V126 PolarHBondContact O-N 2.84Å
123V97.2Very high97.3Very high41 Ų4134.8 Ų34.825%0.24819%0.192CC..Hα-helixtrans-62-40.2176.7-178.60000112.3D119 M120 C121 V126 N127 F177D119-V123 PolarHBondContact O-N 3.21Å; M120-V123 HydrophobicContact CE-CG2 4.22Å; M120-V123 PolarHBondContact O-N 3.47Å; C121-V123 PolarHBondContact O-N 3.48Å; V123-V126 VanDerWaalsContact O-CG1 3.27Å; V123-V126 WeakPolarHBondContact O-CG1 3.44Å; V123-N127 PolarHBondContact O-N 2.72Å; V123-N127 PolarHBondContact O-ND2 3.35Å; V123-F177 HydrophobicContact CB-CZ 4.47Å; V123-F177 HydrophobicContact CG1-CD2 4.45Å; V123-F177 HydrophobicContact CG1-CE2 3.63Å; V123-F177 HydrophobicContact CG1-CZ 3.78Å
124C97.4Very high97.4Very high15 Ų1532.3 Ų32.310%0.10117%0.171CC..Hα-helixtrans-64-42.3175.3-66.20000111.7M120 C121 G122 T128 G161M120-C124 PolarHBondContact O-N 2.96Å; M120-C124 PolarHBondContact O-SG 2.85Å; C121-C124 PolarHBondContact O-N 2.95Å; G122-C124 PolarHBondContact O-N 2.84Å; C124-T128 WeakPolarHBondContact O-CB 3.35Å; C124-T128 PolarHBondContact O-N 3.38Å; C124-T128 PolarHBondContact O-OG1 2.98Å; C124-G161 VanDerWaalsContact SG-CA 3.55Å
125L98.1Very high97.4Very high69 Ų6924 Ų2436%0.36114%0.141SC..Hα-helixtrans-65.2-45.9-179.8-74.2170.5000111.6V87 A91 C121 G122 N127 T128 L129V87-L125 HydrophobicContact CG1-CD1 4.31Å; A91-L125 HydrophobicContact CB-CB 4.17Å; A91-L125 HydrophobicContact CB-CD1 3.75Å; C121-L125 WeakPolarHBondContact O-CB 3.31Å; C121-L125 VanDerWaalsContact O-CG 3.26Å; C121-L125 WeakPolarHBondContact O-CG 3.33Å; C121-L125 PolarHBondContact O-N 3.02Å; G122-L125 PolarHBondContact O-N 3.25Å; L125-N127 PolarHBondContact O-N 3.28Å; L125-T128 PolarHBondContact O-N 3.08Å; L125-L129 HydrophobicContact CD2-CD1 3.99Å; L125-L129 HydrophobicContact CD2-CG 4.39Å; L125-L129 VanDerWaalsContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CB 3.15Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.5Å
126V98.1Very high97.4Very high25 Ų2523.2 Ų23.215%0.15214%0.136CC..Hα-helixtrans-64-40.4178.2660000112.6A88 P92 G122 V123 T128 G130 I251 L254A88-V126 HydrophobicContact CB-CG2 4.4Å; A88-V126 VanDerWaalsContact O-CB 3.28Å; A88-V126 WeakPolarHBondContact O-CB 3.34Å; A88-V126 VanDerWaalsContact O-CG2 3.28Å; A88-V126 WeakPolarHBondContact O-CG2 3.44Å; P92-V126 HydrophobicContact CG-CB 3.5Å; P92-V126 HydrophobicContact CG-CG1 3.54Å; P92-V126 HydrophobicContact CG-CG2 4.2Å; G122-V126 PolarHBondContact O-N 2.84Å; V123-V126 VanDerWaalsContact O-CG1 3.27Å; V123-V126 WeakPolarHBondContact O-CG1 3.44Å; V126-T128 VanDerWaalsContact C-N 3.28Å; V126-T128 PolarHBondContact O-N 3.48Å; V126-G130 VanDerWaalsContact O-CA 3.3Å; V126-G130 WeakPolarHBondContact O-CA 3.38Å; V126-G130 PolarHBondContact O-N 3.43Å; V126-I251 HydrophobicContact CG2-CG1 4.28Å; V126-L254 HydrophobicContact CG2-CD2 4.07Å
127N97.6Very high97.4Very high28 Ų2822 Ų2215%0.1513%0.13CC..Hα-helixtrans-66.9-31.4177.1-85.4-77.8000112.9V123 L125 Y153 R184V123-N127 PolarHBondContact O-N 2.72Å; V123-N127 PolarHBondContact O-ND2 3.35Å; L125-N127 PolarHBondContact O-N 3.28Å; N127-Y153 PolarHBondContact O-OH 3.07Å; N127-R184 PolarHBondContact OD1-NH1 3.41Å; N127-R184 VanDerWaalsContact OD1-NH1 3.16Å; N127-R184 PolarHBondContact OD1-NH2 2.91Å
128T97.8Very high97.4Very high17 Ų1720.2 Ų20.210%0.10412%0.115CC..Hα-helixtrans-83.2-62.5-179.4-52.40000110.8C124 L125 V126 A131 T154 S157C124-T128 WeakPolarHBondContact O-CB 3.35Å; C124-T128 PolarHBondContact O-N 3.38Å; C124-T128 PolarHBondContact O-OG1 2.98Å; L125-T128 PolarHBondContact O-N 3.08Å; V126-T128 VanDerWaalsContact C-N 3.28Å; V126-T128 PolarHBondContact O-N 3.48Å; T128-A131 PolarHBondContact O-N 3.47Å; T128-T154 HydrophobicContact CG2-CG2 4.49Å; T128-S157 VanDerWaalsContact OG1-CB 3.29Å; T128-S157 WeakPolarHBondContact OG1-CB 3.45Å
129L98.4Very high97.3Very high29 Ų2917.6 Ų17.615%0.15210%0.102CC..Hα-helixtrans-72-35.2-172.7-59.8-175000112.1T84 V87 A88 L125 A131 L132 P133T84-L129 HydrophobicContact CG2-CD2 4.21Å; V87-L129 HydrophobicContact CB-CD1 3.84Å; V87-L129 HydrophobicContact CG1-CD1 3.64Å; A88-L129 HydrophobicContact CB-CB 3.9Å; L125-L129 HydrophobicContact CD2-CD1 3.99Å; L125-L129 HydrophobicContact CD2-CG 4.39Å; L125-L129 VanDerWaalsContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CB 3.15Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.5Å; L129-A131 PolarHBondContact O-N 2.95Å; L129-L132 HydrophobicContact CD2-CD1 3.87Å; L129-L132 PolarHBondContact O-N 3.17Å; L129-P133 WeakPolarHBondContact O-CD 3.48Å
130G97.6Very high97.2Very high3 Ų317.8 Ų17.83%0.03111%0.105CC..THydrogen-bonded Turntrans-64.7-25.2177.100000113.5V126 L254V126-G130 VanDerWaalsContact O-CA 3.3Å; V126-G130 WeakPolarHBondContact O-CA 3.38Å; V126-G130 PolarHBondContact O-N 3.43Å; G130-L254 WeakPolarHBondContact O-CD1 3.49Å
131A97.9Very high97Very high2 Ų218.7 Ų18.72%0.01711%0.113CC..Hα-helixtrans-82.2-19.5176.800000113.4T128 L129 I134 I135 Y153 R184T128-A131 PolarHBondContact O-N 3.47Å; L129-A131 PolarHBondContact O-N 2.95Å; A131-I134 WeakPolarHBondContact O-CB 3.32Å; A131-I134 PolarHBondContact O-N 3.49Å; A131-I135 HydrophobicContact CB-CD1 4.33Å; A131-I135 WeakPolarHBondContact O-CG1 3.5Å; A131-I135 PolarHBondContact O-N 2.99Å; A131-Y153 HydrophobicContact CB-CD1 4.26Å; A131-Y153 HydrophobicContact CB-CE1 3.42Å; A131-Y153 VanDerWaalsContact CB-CE1 3.42Å; A131-Y153 HydrophobicContact CB-CE2 4.31Å; A131-Y153 VanDerWaalsContact CB-CZ 3.45Å; A131-Y153 WeakPolarHBondContact CB-OH 3.09Å; A131-R184 HydrophobicContact CB-CG 4.33Å
132L98Very high96.9Very high10 Ų1022.7 Ų22.75%0.05212%0.121CC..Hα-helixtrans-64.1-46.5-175.1-54.7-178.9000112.7W80 L81 L129 I134 I135 H136 L150 Y153W80-L132 HydrophobicContact CZ3-CD1 4.12Å; L81-L132 HydrophobicContact CD2-CB 4.16Å; L129-L132 HydrophobicContact CD2-CD1 3.87Å; L129-L132 PolarHBondContact O-N 3.17Å; L132-I134 VanDerWaalsContact C-N 3.28Å; L132-I134 PolarHBondContact O-N 2.9Å; L132-I135 PolarHBondContact O-N 3.22Å; L132-H136 VanDerWaalsContact O-CB 3.23Å; L132-H136 WeakPolarHBondContact O-CB 3.5Å; L132-H136 PolarHBondContact O-N 3Å; L132-L150 HydrophobicContact CB-CD2 4.13Å; L132-L150 HydrophobicContact CD2-CD2 3.97Å; L132-Y153 HydrophobicContact CD2-CD1 4.3Å
133P97.1Very high96.5Very high0 Ų026.6 Ų26.60%015%0.146CC..Hα-helixtrans-59.1-40.9174-23.333.5000112.2L81 H85 L129 H136 C137 V258 L262L81-P133 HydrophobicContact CD2-CG 4.18Å; H85-P133 HydrophobicContact CB-CG 4.45Å; L129-P133 WeakPolarHBondContact O-CD 3.48Å; P133-H136 PolarHBondContact O-N 2.92Å; P133-C137 WeakPolarHBondContact O-CB 3.3Å; P133-C137 PolarHBondContact O-N 3.34Å; P133-C137 PolarHBondContact O-SG 3.39Å; P133-V258 HydrophobicContact CB-CG1 3.78Å; P133-V258 HydrophobicContact CB-CG2 4.03Å; P133-V258 HydrophobicContact CG-CG1 4.02Å; P133-V258 HydrophobicContact CG-CG2 4.35Å; P133-L262 HydrophobicContact CB-CD2 4.2Å
134I97.7Very high96.3Very high2 Ų235.2 Ų35.21%0.0117%0.174CC..Hα-helixtrans-61.2-50.8179.7-51.8-179.3000110.5A131 L132 T138 V187 F188 Y206 M209 L254A131-I134 WeakPolarHBondContact O-CB 3.32Å; A131-I134 PolarHBondContact O-N 3.49Å; L132-I134 VanDerWaalsContact C-N 3.28Å; L132-I134 PolarHBondContact O-N 2.9Å; I134-T138 WeakPolarHBondContact O-CB 3.3Å; I134-T138 PolarHBondContact O-N 3.23Å; I134-T138 PolarHBondContact O-OG1 2.71Å; I134-V187 HydrophobicContact CG2-CG1 3.9Å; I134-F188 HydrophobicContact CD1-CE1 4.35Å; I134-F188 HydrophobicContact CG2-CD1 4.44Å; I134-F188 HydrophobicContact CG2-CE1 3.87Å; I134-Y206 HydrophobicContact CB-CE2 4.41Å; I134-Y206 HydrophobicContact CD1-CD1 3.79Å; I134-Y206 HydrophobicContact CD1-CD2 4.28Å; I134-Y206 HydrophobicContact CD1-CE1 3.86Å; I134-Y206 HydrophobicContact CD1-CE2 4.31Å; I134-Y206 HydrophobicContact CD1-CG 4.02Å; I134-Y206 HydrophobicContact CG1-CD1 4.3Å; I134-Y206 HydrophobicContact CG1-CD2 4.41Å; I134-Y206 HydrophobicContact CG1-CE1 3.88Å; I134-Y206 HydrophobicContact CG1-CE2 3.98Å; I134-Y206 HydrophobicContact CG2-CD2 4.04Å; I134-Y206 HydrophobicContact CG2-CE2 3.9Å; I134-M209 HydrophobicContact CD1-CE 4.38Å; I134-L254 HydrophobicContact CD1-CD1 4.15Å
135I97.8Very high96.2Very high8 Ų839.2 Ų39.24%0.04119%0.194CC..Hα-helixtrans-63.2-44.7178.8-66.6166.2000110.2A131 L132 T138 L139 A149 L150 Y153 V187A131-I135 HydrophobicContact CB-CD1 4.33Å; A131-I135 WeakPolarHBondContact O-CG1 3.5Å; A131-I135 PolarHBondContact O-N 2.99Å; L132-I135 PolarHBondContact O-N 3.22Å; I135-T138 PolarHBondContact O-N 3.48Å; I135-L139 HydrophobicContact CG2-CD1 3.94Å; I135-L139 WeakPolarHBondContact O-CB 3.3Å; I135-L139 PolarHBondContact O-N 3.22Å; I135-A149 HydrophobicContact CG2-CB 3.86Å; I135-L150 HydrophobicContact CB-CD2 3.91Å; I135-L150 HydrophobicContact CG2-CD2 3.77Å; I135-L150 HydrophobicContact CG2-CG 4.04Å; I135-Y153 HydrophobicContact CD1-CD1 3.94Å; I135-Y153 HydrophobicContact CD1-CD2 3.81Å; I135-Y153 HydrophobicContact CD1-CE2 4.39Å; I135-Y153 HydrophobicContact CD1-CG 3.56Å; I135-V187 HydrophobicContact CG1-CG2 4.15Å
136H96.6Very high96.1Very high9 Ų938.9 Ų38.94%0.04219%0.188CC..Hα-helixtrans-58.5-51-179.9-178.8103.1000111.6D78 L81 L132 P133 A140 R146 L150D78-H136 IonicContact OD1-CE1 3.26Å; D78-H136 PolarHBondContact OD1-CE1 3.49Å; D78-H136 VanDerWaalsContact OD1-CE1 3.26Å; D78-H136 IonicContact OD1-NE2 3.72Å; D78-H136 IonicContact OD2-NE2 3.93Å; L81-H136 HydrophobicContact CD1-CB 3.96Å; L81-H136 HydrophobicContact CD2-CB 4.41Å; L132-H136 VanDerWaalsContact O-CB 3.23Å; L132-H136 WeakPolarHBondContact O-CB 3.5Å; L132-H136 PolarHBondContact O-N 3Å; P133-H136 PolarHBondContact O-N 2.92Å; H136-A140 WeakPolarHBondContact O-CA 3.5Å; H136-A140 PolarHBondContact O-N 3.24Å; H136-A140 VanDerWaalsContact O-N 3.13Å; H136-R146 PolarHBondContact NE2-NH1 2.97Å; H136-R146 WeakPolarHBondContact O-CD 3.29Å; H136-L150 HydrophobicContact CB-CD1 4.45Å; H136-L150 HydrophobicContact CB-CD2 4.45Å
137C95.9Very high96.1Very high0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-70.2-36.8-179.2-630000111.8P133 L139 A140 S197 D261P133-C137 WeakPolarHBondContact O-CB 3.3Å; P133-C137 PolarHBondContact O-N 3.34Å; P133-C137 PolarHBondContact O-SG 3.39Å; C137-L139 VanDerWaalsContact C-N 3.32Å; C137-L139 PolarHBondContact O-N 3.14Å; C137-A140 WeakPolarHBondContact O-CB 3.19Å; C137-A140 PolarHBondContact O-N 3.04Å; C137-S197 CarbonylContact C-O 3.49Å; C137-S197 CarbonylContact O-C 3.56Å; C137-S197 PolarHBondContact O-OG 3.31Å; C137-D261 HydrophobicContact CB-CB 4.21Å; C137-D261 PolarHBondContact SG-O 3.35Å; C137-D261 VanDerWaalsContact SG-O 3.4Å
138T96.6Very high96.1Very high3 Ų342.2 Ų42.22%0.01822%0.217CC..Hα-helixtrans-62.7-38.3176.9-58.30000112.8I134 I135 V187 R191 G196 S197I134-T138 WeakPolarHBondContact O-CB 3.3Å; I134-T138 PolarHBondContact O-N 3.23Å; I134-T138 PolarHBondContact O-OG1 2.71Å; I135-T138 PolarHBondContact O-N 3.48Å; T138-V187 HydrophobicContact CG2-CG1 3.72Å; T138-V187 VanDerWaalsContact OG1-CG1 3.27Å; T138-V187 WeakPolarHBondContact OG1-CG1 3.49Å; T138-R191 HydrophobicContact CG2-CG 3.66Å; T138-R191 PolarHBondContact OG1-NE 2.97Å; T138-G196 WeakPolarHBondContact O-CA 3.32Å; T138-S197 WeakPolarHBondContact CA-O 3.45Å; T138-S197 PolarHBondContact O-N 2.88Å; T138-S197 PolarHBondContact O-OG 3.27Å
139L95.9Very high96Very high23 Ų2342.7 Ų42.712%0.1222%0.223CC..THydrogen-bonded Turntrans-104.820-176.2-58.4176.7000112.3I135 C137 C141 R142 L145 R146 A149I135-L139 HydrophobicContact CG2-CD1 3.94Å; I135-L139 WeakPolarHBondContact O-CB 3.3Å; I135-L139 PolarHBondContact O-N 3.22Å; C137-L139 VanDerWaalsContact C-N 3.32Å; C137-L139 PolarHBondContact O-N 3.14Å; L139-C141 PolarHBondContact O-N 2.85Å; L139-C141 VanDerWaalsContact O-N 3.09Å; L139-R142 HydrophobicContact CB-CB 4.45Å; L139-R142 PolarHBondContact O-N 3.04Å; L139-L145 HydrophobicContact CD1-CG 4.1Å; L139-L145 HydrophobicContact CD2-CD2 3.93Å; L139-L145 HydrophobicContact CD2-CG 4.34Å; L139-R146 HydrophobicContact CB-CB 3.77Å; L139-R146 HydrophobicContact CB-CG 4.11Å; L139-R146 WeakPolarHBondContact O-CB 3.5Å; L139-A149 HydrophobicContact CD1-CB 3.53Å
140A93.9Very high96Very high16 Ų1642.3 Ų42.313%0.13222%0.221CC..THydrogen-bonded Turntrans-52.7-39.4-171.900000112.8H136 C137 W264H136-A140 WeakPolarHBondContact O-CA 3.5Å; H136-A140 PolarHBondContact O-N 3.24Å; H136-A140 VanDerWaalsContact O-N 3.13Å; C137-A140 WeakPolarHBondContact O-CB 3.19Å; C137-A140 PolarHBondContact O-N 3.04Å; A140-W264 HydrophobicContact CB-CH2 4.21Å; A140-W264 HydrophobicContact CB-CZ3 4.06Å
141C92.9Very high96Very high42 Ų4246.6 Ų46.628%0.28425%0.246SC..THydrogen-bonded Turntrans-92.816-179.4-53.60000114.6L139 C270L139-C141 PolarHBondContact O-N 2.85Å; L139-C141 VanDerWaalsContact O-N 3.09Å; C141-C270 WeakPolarHBondContact CA-SG 3.41Å; C141-C270 HydrophobicContact CB-CB 3.68Å; C141-C270 WeakPolarHBondContact CB-SG 3.29Å; C141-C270 VanDerWaalsContact SG-CA 3.52Å; C141-C270 WeakPolarHBondContact SG-CB 3.35Å; C141-C270 CovalentContact SG-SG 2.05Å; C141-C270 PolarHBondContact SG-SG 3.43Å
142R93.6Very high96Very high131 Ų13147.9 Ų47.949%0.49426%0.26SS..  trans-11990.2178.8-56.5-62.1-170.6167.11.2110L139 W144 L145 R146L139-R142 HydrophobicContact CB-CB 4.45Å; L139-R142 PolarHBondContact O-N 3.04Å; R142-W144 VanDerWaalsContact C-N 3.33Å; R142-W144 PolarHBondContact O-N 3.05Å; R142-L145 HydrophobicContact CB-CB 3.85Å; R142-L145 PolarHBondContact O-N 3.45Å; R142-R146 VanDerWaalsContact O-CB 3.3Å; R142-R146 WeakPolarHBondContact O-CB 3.35Å; R142-R146 PolarHBondContact O-N 3.47Å
143P90.5Very high96Very high86 Ų8648 Ų4856%0.55826%0.26SS*.THydrogen-bonded Turntrans-62-34.5-165.421.7-32.9000114.2P147P143-P147 WeakPolarHBondContact O-CD 3.44Å; P143-P147 VanDerWaalsContact O-CG 3.29Å; P143-P147 WeakPolarHBondContact O-CG 3.36Å
144W93.6Very high96Very high222 Ų22251 Ų5184%0.84128%0.277SS*.THydrogen-bonded Turntrans-91.8-39.7179-58.8110.2000113.1R142 P147 A148R142-W144 VanDerWaalsContact C-N 3.33Å; R142-W144 PolarHBondContact O-N 3.05Å; W144-P147 WeakPolarHBondContact O-CD 3.06Å; W144-P147 WeakPolarHBondContact O-CG 3.5Å; W144-A148 WeakPolarHBondContact O-CB 3.33Å; W144-A148 PolarHBondContact O-N 3.32Å
145L95.3Very high96Very high98 Ų9855.3 Ų55.351%0.51330%0.304SS..Hα-helixtrans-69.3-36.8-176.3-173.959.1000111.9L139 R142 A149L139-L145 HydrophobicContact CD1-CG 4.1Å; L139-L145 HydrophobicContact CD2-CD2 3.93Å; L139-L145 HydrophobicContact CD2-CG 4.34Å; R142-L145 HydrophobicContact CB-CB 3.85Å; R142-L145 PolarHBondContact O-N 3.45Å; L145-A149 WeakPolarHBondContact O-CB 3.29Å; L145-A149 PolarHBondContact O-N 3.25Å
146R96Very high95.9Very high62 Ų6259.4 Ų59.423%0.23433%0.325CS..Hα-helixtrans-58.8-58.8179.3-176.4178.664.9-176.7-10.2113.3H136 L139 R142 A148 A149 L150H136-R146 PolarHBondContact NE2-NH1 2.97Å; H136-R146 WeakPolarHBondContact O-CD 3.29Å; L139-R146 HydrophobicContact CB-CB 3.77Å; L139-R146 HydrophobicContact CB-CG 4.11Å; L139-R146 WeakPolarHBondContact O-CB 3.5Å; R142-R146 VanDerWaalsContact O-CB 3.3Å; R142-R146 WeakPolarHBondContact O-CB 3.35Å; R142-R146 PolarHBondContact O-N 3.47Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-A148 PolarHBondContact O-N 3.13Å; R146-A149 PolarHBondContact O-N 2.88Å; R146-L150 HydrophobicContact CG-CD1 4.09Å; R146-L150 WeakPolarHBondContact O-CG 3.26Å; R146-L150 PolarHBondContact O-N 3.38Å
147P96.4Very high96Very high60 Ų6059.1 Ų59.139%0.3932%0.324SS..Hα-helixtrans-63.4-38.9179.225-34000112P143 W144 A149 L150 V151P143-P147 WeakPolarHBondContact O-CD 3.44Å; P143-P147 VanDerWaalsContact O-CG 3.29Å; P143-P147 WeakPolarHBondContact O-CG 3.36Å; W144-P147 WeakPolarHBondContact O-CD 3.06Å; W144-P147 WeakPolarHBondContact O-CG 3.5Å; P147-A149 PolarHBondContact O-N 3.13Å; P147-L150 PolarHBondContact O-N 2.91Å; P147-V151 WeakPolarHBondContact O-CG2 3.46Å; P147-V151 PolarHBondContact O-N 3.33Å
148A97.5Very high95.9Very high63 Ų6361.3 Ų61.352%0.52135%0.347SS..Hα-helixtrans-60.4-44.6176.700000112.2W144 R146 G152W144-A148 WeakPolarHBondContact O-CB 3.33Å; W144-A148 PolarHBondContact O-N 3.32Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-A148 PolarHBondContact O-N 3.13Å; A148-G152 PolarHBondContact O-N 3.37Å
149A97.7Very high95.8Very high27 Ų2764.3 Ų64.322%0.22337%0.365CS..Hα-helixtrans-66.7-41.4177.600000112.4I135 L139 L145 R146 P147 Y153I135-A149 HydrophobicContact CG2-CB 3.86Å; L139-A149 HydrophobicContact CD1-CB 3.53Å; L145-A149 WeakPolarHBondContact O-CB 3.29Å; L145-A149 PolarHBondContact O-N 3.25Å; R146-A149 PolarHBondContact O-N 2.88Å; P147-A149 PolarHBondContact O-N 3.13Å; A149-Y153 WeakPolarHBondContact O-CB 3.39Å; A149-Y153 PolarHBondContact O-N 2.98Å
150L97.9Very high95.7Very high21 Ų2163.3 Ų63.311%0.1136%0.36CS..Hα-helixtrans-62.8-47.1177.4-72.3170.5000111.8W80 L132 I135 H136 R146 P147 T154W80-L150 HydrophobicContact CH2-CD1 4.45Å; L132-L150 HydrophobicContact CB-CD2 4.13Å; L132-L150 HydrophobicContact CD2-CD2 3.97Å; I135-L150 HydrophobicContact CB-CD2 3.91Å; I135-L150 HydrophobicContact CG2-CD2 3.77Å; I135-L150 HydrophobicContact CG2-CG 4.04Å; H136-L150 HydrophobicContact CB-CD1 4.45Å; H136-L150 HydrophobicContact CB-CD2 4.45Å; R146-L150 HydrophobicContact CG-CD1 4.09Å; R146-L150 WeakPolarHBondContact O-CG 3.26Å; R146-L150 PolarHBondContact O-N 3.38Å; P147-L150 PolarHBondContact O-N 2.91Å; L150-T154 WeakPolarHBondContact O-CB 3.35Å; L150-T154 PolarHBondContact O-N 3.36Å; L150-T154 PolarHBondContact O-OG1 3.25Å
151V97.4Very high95.7Very high94 Ų9463 Ų6357%0.5736%0.358SS*.Hα-helixtrans-65.3-50.1177.4172.40000110.4P147 Y153 T154 V155P147-V151 WeakPolarHBondContact O-CG2 3.46Å; P147-V151 PolarHBondContact O-N 3.33Å; V151-Y153 PolarHBondContact O-N 3.05Å; V151-T154 PolarHBondContact O-N 2.95Å; V151-V155 HydrophobicContact CG1-CG2 4.33Å; V151-V155 WeakPolarHBondContact O-CG2 3.39Å; V151-V155 PolarHBondContact O-N 3.07Å
152G97.6Very high95.8Very high29 Ų2968.9 Ų68.930%0.29938%0.375SS..Hα-helixtrans-58.2-47.318000000112.5A148 T154 V155 L156A148-G152 PolarHBondContact O-N 3.37Å; G152-T154 VanDerWaalsContact C-N 3.35Å; G152-T154 PolarHBondContact O-N 3.4Å; G152-V155 PolarHBondContact O-N 3.11Å; G152-L156 WeakPolarHBondContact O-CB 3.23Å; G152-L156 VanDerWaalsContact O-CG 3.28Å; G152-L156 WeakPolarHBondContact O-CG 3.35Å; G152-L156 PolarHBondContact O-N 2.93Å
153Y98.1Very high95.8Very high13 Ų1369.9 Ų69.95%0.05138%0.378CS..Hα-helixtrans-62.1-41.7177.2-174.2-89.1000111.8N127 A131 L132 I135 A149 V151 S157 W179 A183 R184N127-Y153 PolarHBondContact O-OH 3.07Å; A131-Y153 HydrophobicContact CB-CD1 4.26Å; A131-Y153 HydrophobicContact CB-CE1 3.42Å; A131-Y153 VanDerWaalsContact CB-CE1 3.42Å; A131-Y153 HydrophobicContact CB-CE2 4.31Å; A131-Y153 VanDerWaalsContact CB-CZ 3.45Å; A131-Y153 WeakPolarHBondContact CB-OH 3.09Å; L132-Y153 HydrophobicContact CD2-CD1 4.3Å; I135-Y153 HydrophobicContact CD1-CD1 3.94Å; I135-Y153 HydrophobicContact CD1-CD2 3.81Å; I135-Y153 HydrophobicContact CD1-CE2 4.39Å; I135-Y153 HydrophobicContact CD1-CG 3.56Å; A149-Y153 WeakPolarHBondContact O-CB 3.39Å; A149-Y153 PolarHBondContact O-N 2.98Å; V151-Y153 PolarHBondContact O-N 3.05Å; Y153-S157 WeakPolarHBondContact CE1-OG 3.43Å; Y153-S157 WeakPolarHBondContact O-CB 3.32Å; Y153-S157 PolarHBondContact O-N 3.5Å; Y153-S157 PolarHBondContact O-OG 3.48Å; Y153-W179 AromaticContact CD2-CH2 3.72Å; Y153-W179 HydrophobicContact CD2-CH2 3.72Å; Y153-W179 AromaticContact CD2-CZ3 3.82Å; Y153-W179 HydrophobicContact CD2-CZ3 3.82Å; Y153-W179 AromaticContact CE2-CH2 3.84Å; Y153-W179 HydrophobicContact CE2-CH2 3.84Å; Y153-W179 AromaticContact CE2-CZ3 3.96Å; Y153-W179 HydrophobicContact CE2-CZ3 3.96Å; Y153-W179 HydrophobicContact CG-CH2 4.24Å; Y153-A183 HydrophobicContact CD2-CB 4.17Å; Y153-A183 HydrophobicContact CE2-CB 3.98Å; Y153-R184 PolarHBondContact OH-NH1 3.19Å
154T97.6Very high95.9Very high61 Ų6165.8 Ų65.837%0.37435%0.352SS..Hα-helixtrans-64.6-46.3178.9-56.80000111.7T128 L150 V151 G152 S157 G158T128-T154 HydrophobicContact CG2-CG2 4.49Å; L150-T154 WeakPolarHBondContact O-CB 3.35Å; L150-T154 PolarHBondContact O-N 3.36Å; L150-T154 PolarHBondContact O-OG1 3.25Å; V151-T154 PolarHBondContact O-N 2.95Å; G152-T154 VanDerWaalsContact C-N 3.35Å; G152-T154 PolarHBondContact O-N 3.4Å; T154-S157 WeakPolarHBondContact O-CB 3.28Å; T154-S157 PolarHBondContact O-N 3.3Å; T154-G158 PolarHBondContact O-N 3.19Å
155V96.8Very high95.8Very high93 Ų9358.7 Ų58.756%0.56433%0.33SS*.Hα-helixtrans-63-48.9179.1170.80000111.3V151 G152 S157 G158 V159V151-V155 HydrophobicContact CG1-CG2 4.33Å; V151-V155 WeakPolarHBondContact O-CG2 3.39Å; V151-V155 PolarHBondContact O-N 3.07Å; G152-V155 PolarHBondContact O-N 3.11Å; V155-S157 PolarHBondContact O-N 2.93Å; V155-G158 PolarHBondContact O-N 3.02Å; V155-G158 VanDerWaalsContact O-N 3.08Å; V155-V159 PolarHBondContact O-N 3.05Å
156L96.8Very high95.7Very high94 Ų9458.1 Ų58.149%0.49233%0.331SS..Hα-helixtrans-63.4-31.6177.6-67.8174.1000111.7G152 G158 V159 A160 W179G152-L156 WeakPolarHBondContact O-CB 3.23Å; G152-L156 VanDerWaalsContact O-CG 3.28Å; G152-L156 WeakPolarHBondContact O-CG 3.35Å; G152-L156 PolarHBondContact O-N 2.93Å; L156-G158 VanDerWaalsContact C-N 3.33Å; L156-V159 PolarHBondContact O-N 3.23Å; L156-A160 PolarHBondContact O-N 2.9Å; L156-W179 HydrophobicContact CB-CH2 3.48Å; L156-W179 VanDerWaalsContact CB-CH2 3.48Å; L156-W179 HydrophobicContact CB-CZ2 3.51Å; L156-W179 HydrophobicContact CB-CZ3 4.09Å; L156-W179 HydrophobicContact CD1-CH2 4.44Å; L156-W179 HydrophobicContact CD1-CZ3 4.26Å; L156-W179 WeakPolarHBondContact O-CZ2 3.38Å
157S96.9Very high95.4Very high3 Ų355.8 Ų55.82%0.02133%0.325CS..Hα-helixtrans-68.9-31.9175-62.90000112.5T128 Y153 T154 V155 V159 A160 G161 Q180T128-S157 VanDerWaalsContact OG1-CB 3.29Å; T128-S157 WeakPolarHBondContact OG1-CB 3.45Å; Y153-S157 WeakPolarHBondContact CE1-OG 3.43Å; Y153-S157 WeakPolarHBondContact O-CB 3.32Å; Y153-S157 PolarHBondContact O-N 3.5Å; Y153-S157 PolarHBondContact O-OG 3.48Å; T154-S157 WeakPolarHBondContact O-CB 3.28Å; T154-S157 PolarHBondContact O-N 3.3Å; V155-S157 PolarHBondContact O-N 2.93Å; S157-V159 VanDerWaalsContact C-N 3.32Å; S157-V159 PolarHBondContact O-N 3.33Å; S157-A160 PolarHBondContact O-N 3.21Å; S157-G161 PolarHBondContact O-N 2.96Å; S157-Q180 VanDerWaalsContact CB-NE2 3.33Å; S157-Q180 PolarHBondContact OG-NE2 3.09Å
158G95.4Very high94.9Very high46 Ų4658.9 Ų58.947%0.47435%0.345SS..Hα-helixtrans-59-42.9169.400000112.4T154 V155 L156 G161 W162T154-G158 PolarHBondContact O-N 3.19Å; V155-G158 PolarHBondContact O-N 3.02Å; V155-G158 VanDerWaalsContact O-N 3.08Å; L156-G158 VanDerWaalsContact C-N 3.33Å; G158-G161 PolarHBondContact O-N 3.12Å; G158-W162 PolarHBondContact O-N 3.37Å
159V94.3Very high94.5Very high67 Ų6758 Ų5841%0.40634%0.335SS..Hα-helixtrans-65.4-44176.6-178.90000111.4V155 L156 S157 G161 W162 R163V155-V159 PolarHBondContact O-N 3.05Å; L156-V159 PolarHBondContact O-N 3.23Å; S157-V159 VanDerWaalsContact C-N 3.32Å; S157-V159 PolarHBondContact O-N 3.33Å; V159-G161 VanDerWaalsContact C-N 3.35Å; V159-W162 PolarHBondContact O-N 3.17Å; V159-R163 WeakPolarHBondContact O-CG 3.28Å; V159-R163 PolarHBondContact O-N 2.97Å
160A93.8Very high93.9Very high2 Ų258.9 Ų58.92%0.01734%0.337CS..Hα-helixtrans-62.7-40.8174.500000112.6L156 S157 R163 A164 A176L156-A160 PolarHBondContact O-N 2.9Å; S157-A160 PolarHBondContact O-N 3.21Å; A160-R163 PolarHBondContact O-N 3.37Å; A160-A164 WeakPolarHBondContact O-CB 3.27Å; A160-A164 PolarHBondContact O-N 3.4Å; A160-A176 WeakPolarHBondContact CB-O 3.45Å
161G94Very high93.5Very high8 Ų860.1 Ų60.18%0.08235%0.348CS..Hα-helixtrans-61.2-45.4176.800000112.2C124 S157 G158 V159 R163 A164 L165C124-G161 VanDerWaalsContact SG-CA 3.55Å; S157-G161 PolarHBondContact O-N 2.96Å; G158-G161 PolarHBondContact O-N 3.12Å; V159-G161 VanDerWaalsContact C-N 3.35Å; G161-R163 PolarHBondContact O-N 3.27Å; G161-A164 PolarHBondContact O-N 3.5Å; G161-L165 WeakPolarHBondContact O-CB 3.4Å; G161-L165 VanDerWaalsContact O-CG 3.27Å; G161-L165 WeakPolarHBondContact O-CG 3.31Å; G161-L165 PolarHBondContact O-N 3.34Å
162W93.9Very high93.2Very high167 Ų16756.5 Ų56.563%0.63333%0.328SS*.Hα-helixtrans-60.1-44.4174.2174.778000112.3G158 V159 A164 L165 T166G158-W162 PolarHBondContact O-N 3.37Å; V159-W162 PolarHBondContact O-N 3.17Å; W162-A164 VanDerWaalsContact C-N 3.35Å; W162-A164 PolarHBondContact O-N 3.48Å; W162-L165 PolarHBondContact O-N 2.92Å; W162-T166 WeakPolarHBondContact O-CG2 3.14Å; W162-T166 PolarHBondContact O-N 3.49Å; W162-T166 VanDerWaalsContact O-N 3.09Å; W162-T166 PolarHBondContact O-OG1 3.46Å
163R94.3Very high92.9Very high151 Ų15157.6 Ų57.657%0.5732%0.323SS*.Hα-helixtrans-62.9-39.2175.6-72.7-177.3178.9173.5-0112.3V159 A160 G161 T166 A167 A176V159-R163 WeakPolarHBondContact O-CG 3.28Å; V159-R163 PolarHBondContact O-N 2.97Å; A160-R163 PolarHBondContact O-N 3.37Å; G161-R163 PolarHBondContact O-N 3.27Å; R163-T166 PolarHBondContact O-OG1 2.95Å; R163-A167 VanDerWaalsContact O-CB 3.27Å; R163-A167 WeakPolarHBondContact O-CB 3.44Å; R163-A167 PolarHBondContact O-N 3.16Å; R163-A176 HydrophobicContact CB-CB 4.06Å
164A92.4Very high92.5Very high0 Ų059.6 Ų59.60%033%0.334CS..Hα-helixtrans-68-40.7178.300000112A160 G161 W162 T166 A167 A176 F177A160-A164 WeakPolarHBondContact O-CB 3.27Å; A160-A164 PolarHBondContact O-N 3.4Å; G161-A164 PolarHBondContact O-N 3.5Å; W162-A164 VanDerWaalsContact C-N 3.35Å; W162-A164 PolarHBondContact O-N 3.48Å; A164-T166 VanDerWaalsContact C-N 3.31Å; A164-T166 PolarHBondContact O-N 2.85Å; A164-A167 PolarHBondContact O-N 3.44Å; A164-A176 HydrophobicContact CB-CB 4.19Å; A164-F177 HydrophobicContact CB-CE1 3.88Å; A164-F177 HydrophobicContact CB-CE2 4.24Å; A164-F177 HydrophobicContact CB-CZ 3.58Å
165L92.6Very high92.3Very high74 Ų7464.8 Ų64.839%0.38735%0.347SS..Hα-helixtrans-66.9-32177.9-73168.5000113A117 M120 G161 W162A117-L165 HydrophobicContact CB-CD2 4.12Å; A117-L165 WeakPolarHBondContact O-CD2 3.31Å; M120-L165 HydrophobicContact CB-CD2 3.81Å; G161-L165 WeakPolarHBondContact O-CB 3.4Å; G161-L165 VanDerWaalsContact O-CG 3.27Å; G161-L165 WeakPolarHBondContact O-CG 3.31Å; G161-L165 PolarHBondContact O-N 3.34Å; W162-L165 PolarHBondContact O-N 2.92Å
166T91.9Very high92.1Very high86 Ų8660.9 Ų60.953%0.52832%0.324SS..Hα-helixtrans-95.1-2.4179.854.80000113.5W162 R163 A164W162-T166 WeakPolarHBondContact O-CG2 3.14Å; W162-T166 PolarHBondContact O-N 3.49Å; W162-T166 VanDerWaalsContact O-N 3.09Å; W162-T166 PolarHBondContact O-OG1 3.46Å; R163-T166 PolarHBondContact O-OG1 2.95Å; A164-T166 VanDerWaalsContact C-N 3.31Å; A164-T166 PolarHBondContact O-N 2.85Å
167A90.1Very high91.9Very high13 Ų1357.6 Ų57.611%0.10731%0.306CS..  trans-70.2132.8-174.400000112.6R163 A164 S169 A172 R173R163-A167 VanDerWaalsContact O-CB 3.27Å; R163-A167 WeakPolarHBondContact O-CB 3.44Å; R163-A167 PolarHBondContact O-N 3.16Å; A164-A167 PolarHBondContact O-N 3.44Å; A167-S169 VanDerWaalsContact C-N 3.31Å; A167-S169 PolarHBondContact O-N 2.88Å; A167-A172 HydrophobicContact CB-CB 3.88Å; A167-R173 HydrophobicContact CB-CB 4.48Å; A167-R173 HydrophobicContact CB-CG 3.52Å
168P85.9Confident91.7Very high125 Ų12559.2 Ų59.281%0.81232%0.323SS*.SBendtrans-77.9-14.3-176.631.7-36.7000113.5
169S88.8Confident91.7Very high45 Ų4560.7 Ų60.732%0.31532%0.315SS..SBendtrans-145.9157.4-174.671.80000112.9A167 S171 A172 R173A167-S169 VanDerWaalsContact C-N 3.31Å; A167-S169 PolarHBondContact O-N 2.88Å; S169-S171 VanDerWaalsContact C-N 3.25Å; S169-S171 PolarHBondContact O-N 3.17Å; S169-S171 PolarHBondContact OG-OG 3.03Å; S169-A172 PolarHBondContact O-N 3.09Å; S169-A172 VanDerWaalsContact O-N 3.14Å; S169-A172 WeakPolarHBondContact OG-CB 3.3Å; S169-A172 PolarHBondContact OG-N 3.07Å; S169-R173 WeakPolarHBondContact O-CG 3.27Å; S169-R173 PolarHBondContact O-N 3.13Å
170T86.5Confident91.8Very high45 Ų4557.6 Ų57.628%0.27630%0.295SS..Hα-helixtrans-58.2-36.9175.9-49.10000112.2R173 L174 V221T170-R173 WeakPolarHBondContact O-CB 3.48Å; T170-R173 PolarHBondContact O-N 3.29Å; T170-L174 PolarHBondContact O-N 3.07Å; T170-V221 HydrophobicContact CG2-CG2 3.8Å
171S88.5Confident91.9Very high46 Ų4659 Ų5932%0.32231%0.307SS..Hα-helixtrans-69.5-36.1177.263.50000112.5S169 L174 R175S169-S171 VanDerWaalsContact C-N 3.25Å; S169-S171 PolarHBondContact O-N 3.17Å; S169-S171 PolarHBondContact OG-OG 3.03Å; S171-L174 PolarHBondContact O-N 3.09Å; S171-R175 WeakPolarHBondContact O-CG 3.32Å; S171-R175 PolarHBondContact O-N 3.02Å; S171-R175 VanDerWaalsContact O-N 3.08Å
172A90.9Very high92Very high18 Ų1861.4 Ų61.415%0.14933%0.326CS..Hα-helixtrans-65.8-38.7173.100000111.8A167 S169 R175 A176A167-A172 HydrophobicContact CB-CB 3.88Å; S169-A172 PolarHBondContact O-N 3.09Å; S169-A172 VanDerWaalsContact O-N 3.14Å; S169-A172 WeakPolarHBondContact OG-CB 3.3Å; S169-A172 PolarHBondContact OG-N 3.07Å; A172-R175 PolarHBondContact O-N 3.14Å; A172-A176 PolarHBondContact O-N 2.94Å; A172-A176 VanDerWaalsContact O-N 3.09Å
173R91.4Very high92.1Very high53 Ų5354.7 Ų54.720%0.231%0.307CS..Hα-helixtrans-61.5-47.3172.9-66.8175.5-172.51744.2111.9A167 S169 T170 R175 A176 F177A167-R173 HydrophobicContact CB-CB 4.48Å; A167-R173 HydrophobicContact CB-CG 3.52Å; S169-R173 WeakPolarHBondContact O-CG 3.27Å; S169-R173 PolarHBondContact O-N 3.13Å; T170-R173 WeakPolarHBondContact O-CB 3.48Å; T170-R173 PolarHBondContact O-N 3.29Å; R173-R175 VanDerWaalsContact C-N 3.31Å; R173-R175 PolarHBondContact O-N 2.77Å; R173-A176 WeakPolarHBondContact O-CB 3.41Å; R173-A176 PolarHBondContact O-N 2.98Å; R173-A176 VanDerWaalsContact O-N 3.09Å; R173-F177 WeakPolarHBondContact O-CD2 3.45Å; R173-F177 PolarHBondContact O-N 3.44Å
174L90.6Very high92.2Very high54 Ų5448.3 Ų48.328%0.28328%0.283SS..Hα-helixtrans-58.6-42.7177.7-176.662.5000111.9T170 S171 A176 F177 G178 L218 V221T170-L174 PolarHBondContact O-N 3.07Å; S171-L174 PolarHBondContact O-N 3.09Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 3.36Å; L174-F177 PolarHBondContact O-N 3.32Å; L174-G178 PolarHBondContact O-N 3.46Å; L174-L218 HydrophobicContact CD2-CD2 4.35Å; L174-V221 HydrophobicContact CD2-CG2 4.05Å
175R92.3Very high92.3Very high170 Ų17053 Ų5364%0.64231%0.307SS*.Hα-helixtrans-63.6-34.6175.7-72.7-168.3-58.9-88.42.3113.1S171 A172 R173 F177 G178S171-R175 WeakPolarHBondContact O-CG 3.32Å; S171-R175 PolarHBondContact O-N 3.02Å; S171-R175 VanDerWaalsContact O-N 3.08Å; A172-R175 PolarHBondContact O-N 3.14Å; R173-R175 VanDerWaalsContact C-N 3.31Å; R173-R175 PolarHBondContact O-N 2.77Å; R175-F177 PolarHBondContact O-N 3.4Å; R175-G178 PolarHBondContact O-N 3.42Å; R175-G178 VanDerWaalsContact O-N 3.11Å
176A92.6Very high92.5Very high11 Ų1155.8 Ų55.89%0.09132%0.322CS..Hα-helixtrans-60.4-33.7178.500000112.2A160 R163 A164 A172 R173 L174A160-A176 WeakPolarHBondContact CB-O 3.45Å; R163-A176 HydrophobicContact CB-CB 4.06Å; A164-A176 HydrophobicContact CB-CB 4.19Å; A172-A176 PolarHBondContact O-N 2.94Å; A172-A176 VanDerWaalsContact O-N 3.09Å; R173-A176 WeakPolarHBondContact O-CB 3.41Å; R173-A176 PolarHBondContact O-N 2.98Å; R173-A176 VanDerWaalsContact O-N 3.09Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 3.36Å
177F93.6Very high92.7Very high25 Ų2552.8 Ų52.811%0.1130%0.303CS..Hα-helixtrans-87.7-7178-58-46.7000114.2V123 A164 R173 L174 R175 W179 Q180 A181V123-F177 HydrophobicContact CB-CZ 4.47Å; V123-F177 HydrophobicContact CG1-CD2 4.45Å; V123-F177 HydrophobicContact CG1-CE2 3.63Å; V123-F177 HydrophobicContact CG1-CZ 3.78Å; A164-F177 HydrophobicContact CB-CE1 3.88Å; A164-F177 HydrophobicContact CB-CE2 4.24Å; A164-F177 HydrophobicContact CB-CZ 3.58Å; R173-F177 WeakPolarHBondContact O-CD2 3.45Å; R173-F177 PolarHBondContact O-N 3.44Å; L174-F177 PolarHBondContact O-N 3.32Å; R175-F177 PolarHBondContact O-N 3.4Å; F177-W179 VanDerWaalsContact C-N 3.29Å; F177-W179 PolarHBondContact O-N 3.36Å; F177-Q180 WeakPolarHBondContact O-CB 3.29Å; F177-Q180 PolarHBondContact O-N 3.4Å; F177-A181 PolarHBondContact O-N 3.21Å
178G92.9Very high93Very high37 Ų3752.5 Ų52.538%0.38130%0.3SS..Hα-helixtrans-59.7-36.4-175.800000113.7L174 R175 A181 A182L174-G178 PolarHBondContact O-N 3.46Å; R175-G178 PolarHBondContact O-N 3.42Å; R175-G178 VanDerWaalsContact O-N 3.11Å; G178-A181 PolarHBondContact O-N 2.86Å; G178-A182 PolarHBondContact O-N 3.17Å
179W94.8Very high93.4Very high78 Ų7848.3 Ų48.330%0.29528%0.279SS..Hα-helixtrans-69.5-35.517786.4-94.7000112Y153 L156 F177 A181 A182 A183Y153-W179 AromaticContact CD2-CH2 3.72Å; Y153-W179 HydrophobicContact CD2-CH2 3.72Å; Y153-W179 AromaticContact CD2-CZ3 3.82Å; Y153-W179 HydrophobicContact CD2-CZ3 3.82Å; Y153-W179 AromaticContact CE2-CH2 3.84Å; Y153-W179 HydrophobicContact CE2-CH2 3.84Å; Y153-W179 AromaticContact CE2-CZ3 3.96Å; Y153-W179 HydrophobicContact CE2-CZ3 3.96Å; Y153-W179 HydrophobicContact CG-CH2 4.24Å; L156-W179 HydrophobicContact CB-CH2 3.48Å; L156-W179 VanDerWaalsContact CB-CH2 3.48Å; L156-W179 HydrophobicContact CB-CZ2 3.51Å; L156-W179 HydrophobicContact CB-CZ3 4.09Å; L156-W179 HydrophobicContact CD1-CH2 4.44Å; L156-W179 HydrophobicContact CD1-CZ3 4.26Å; L156-W179 WeakPolarHBondContact O-CZ2 3.38Å; F177-W179 VanDerWaalsContact C-N 3.29Å; F177-W179 PolarHBondContact O-N 3.36Å; W179-A181 VanDerWaalsContact C-N 3.33Å; W179-A182 PolarHBondContact O-N 3.42Å; W179-A183 HydrophobicContact CE3-CB 3.99Å; W179-A183 HydrophobicContact CZ3-CB 3.81Å; W179-A183 WeakPolarHBondContact O-CB 3.33Å; W179-A183 PolarHBondContact O-N 3.24Å
180Q96.5Very high93.7Very high1 Ų147.5 Ų47.51%0.00528%0.275CS..Hα-helixtrans-64.8-41.5178-71.4177.3-6400110.4S157 F177 A183 R184S157-Q180 VanDerWaalsContact CB-NE2 3.33Å; S157-Q180 PolarHBondContact OG-NE2 3.09Å; F177-Q180 WeakPolarHBondContact O-CB 3.29Å; F177-Q180 PolarHBondContact O-N 3.4Å; Q180-A183 PolarHBondContact O-N 3.08Å; Q180-R184 WeakPolarHBondContact O-CG 3.4Å; Q180-R184 PolarHBondContact O-N 3.45Å
181A94.8Very high94Very high32 Ų3246.5 Ų46.526%0.26427%0.266SS..Hα-helixtrans-60.9-45.8172.400000111.5F177 G178 W179 A183 R184 L185F177-A181 PolarHBondContact O-N 3.21Å; G178-A181 PolarHBondContact O-N 2.86Å; W179-A181 VanDerWaalsContact C-N 3.33Å; A181-A183 PolarHBondContact O-N 2.84Å; A181-R184 PolarHBondContact O-N 2.88Å; A181-L185 WeakPolarHBondContact O-CG 3.34Å; A181-L185 PolarHBondContact O-N 3.23Å
182A95.9Very high94.2Very high59 Ų5947 Ų4749%0.48828%0.278SS..Hα-helixtrans-61.7-42176.700000112.7G178 W179 R184 L185 L186G178-A182 PolarHBondContact O-N 3.17Å; W179-A182 PolarHBondContact O-N 3.42Å; A182-R184 PolarHBondContact O-N 2.83Å; A182-L185 PolarHBondContact O-N 2.87Å; A182-L186 PolarHBondContact O-N 3.34Å
183A96.7Very high94.3Very high26 Ų2651.2 Ų51.222%0.21530%0.302CS..Hα-helixtrans-63.3-40.4176.400000111.9Y153 W179 Q180 A181 L186 V187Y153-A183 HydrophobicContact CD2-CB 4.17Å; Y153-A183 HydrophobicContact CE2-CB 3.98Å; W179-A183 HydrophobicContact CE3-CB 3.99Å; W179-A183 HydrophobicContact CZ3-CB 3.81Å; W179-A183 WeakPolarHBondContact O-CB 3.33Å; W179-A183 PolarHBondContact O-N 3.24Å; Q180-A183 PolarHBondContact O-N 3.08Å; A181-A183 PolarHBondContact O-N 2.84Å; A183-L186 WeakPolarHBondContact O-CB 3.38Å; A183-L186 PolarHBondContact O-N 3Å; A183-V187 WeakPolarHBondContact O-CG2 3.4Å; A183-V187 PolarHBondContact O-N 2.82Å; A183-V187 VanDerWaalsContact O-N 3.16Å
184R96.3Very high94.3Very high17 Ų1751.8 Ų51.86%0.06432%0.324CS..Hα-helixtrans-65.5-42.3173.7-72.6-170-59.5-98.612.6112.2N127 A131 Y153 Q180 A181 A182 L186 V187 F188 D210N127-R184 PolarHBondContact OD1-NH1 3.41Å; N127-R184 VanDerWaalsContact OD1-NH1 3.16Å; N127-R184 PolarHBondContact OD1-NH2 2.91Å; A131-R184 HydrophobicContact CB-CG 4.33Å; Y153-R184 PolarHBondContact OH-NH1 3.19Å; Q180-R184 WeakPolarHBondContact O-CG 3.4Å; Q180-R184 PolarHBondContact O-N 3.45Å; A181-R184 PolarHBondContact O-N 2.88Å; A182-R184 PolarHBondContact O-N 2.83Å; R184-L186 VanDerWaalsContact C-N 3.25Å; R184-L186 PolarHBondContact O-N 3.48Å; R184-V187 WeakPolarHBondContact O-CA 3.32Å; R184-V187 WeakPolarHBondContact O-CB 3.41Å; R184-V187 PolarHBondContact O-N 3.08Å; R184-F188 HydrophobicContact CB-CE1 4.4Å; R184-F188 HydrophobicContact CB-CE2 4.07Å; R184-F188 HydrophobicContact CB-CZ 3.84Å; R184-F188 WeakPolarHBondContact O-CD1 3.46Å; R184-F188 WeakPolarHBondContact O-CD2 3.35Å; R184-F188 WeakPolarHBondContact O-CG 3.34Å; R184-F188 PolarHBondContact O-N 2.63Å; R184-D210 IonicContact CZ-OD1 3.29Å; R184-D210 VanDerWaalsContact CZ-OD1 3.29Å; R184-D210 IonicContact CZ-OD2 3.97Å; R184-D210 IonicContact NE-OD1 2.98Å; R184-D210 PolarHBondContact NE-OD1 3.25Å; R184-D210 IonicContact NE-OD2 3.13Å; R184-D210 PolarHBondContact NE-OD2 2.85Å; R184-D210 VanDerWaalsContact NE-OD2 3.13Å; R184-D210 IonicContact NH2-OD1 2.77Å; R184-D210 PolarHBondContact NH2-OD1 3.41Å; R184-D210 IonicContact NH2-OD2 3.92Å
185L95.9Very high94.3Very high99 Ų9954.8 Ų54.852%0.51834%0.34SS..Hα-helixtrans-60.1-35.6174.9-71168.2000112.2A181 A182 F188 G189A181-L185 WeakPolarHBondContact O-CG 3.34Å; A181-L185 PolarHBondContact O-N 3.23Å; A182-L185 PolarHBondContact O-N 2.87Å; L185-F188 HydrophobicContact CD2-CD2 4.13Å; L185-F188 PolarHBondContact O-N 3.35Å; L185-G189 PolarHBondContact O-N 2.63Å
186L96.4Very high94.3Very high132 Ų13247.6 Ų47.669%0.69132%0.319SS*.Hα-helixtrans-62.9-44.6172.5-177.670.3000111.6A182 A183 R184 F188 G189 A190A182-L186 PolarHBondContact O-N 3.34Å; A183-L186 WeakPolarHBondContact O-CB 3.38Å; A183-L186 PolarHBondContact O-N 3Å; R184-L186 VanDerWaalsContact C-N 3.25Å; R184-L186 PolarHBondContact O-N 3.48Å; L186-F188 VanDerWaalsContact C-N 3.35Å; L186-G189 PolarHBondContact O-N 2.8Å; L186-A190 PolarHBondContact O-N 3.31Å
187V96.1Very high94.4Very high23 Ų2348.2 Ų48.214%0.13932%0.322CS..Hα-helixtrans-62.7-41.9176.4174.50000110.9I134 I135 T138 A183 R184 A190 R191I134-V187 HydrophobicContact CG2-CG1 3.9Å; I135-V187 HydrophobicContact CG1-CG2 4.15Å; T138-V187 HydrophobicContact CG2-CG1 3.72Å; T138-V187 VanDerWaalsContact OG1-CG1 3.27Å; T138-V187 WeakPolarHBondContact OG1-CG1 3.49Å; A183-V187 WeakPolarHBondContact O-CG2 3.4Å; A183-V187 PolarHBondContact O-N 2.82Å; A183-V187 VanDerWaalsContact O-N 3.16Å; R184-V187 WeakPolarHBondContact O-CA 3.32Å; R184-V187 WeakPolarHBondContact O-CB 3.41Å; R184-V187 PolarHBondContact O-N 3.08Å; V187-A190 PolarHBondContact O-N 3.25Å; V187-R191 PolarHBondContact O-N 3.32Å; V187-R191 VanDerWaalsContact O-N 3.13Å
188F95.7Very high94.4Very high7 Ų747.9 Ų47.93%0.03133%0.326CS..Hα-helixtrans-64.6-42.6175.1-59.5-16.9000111.9I134 R184 L185 L186 R191 G192 L203 Y206 L207 M209 D210I134-F188 HydrophobicContact CD1-CE1 4.35Å; I134-F188 HydrophobicContact CG2-CD1 4.44Å; I134-F188 HydrophobicContact CG2-CE1 3.87Å; R184-F188 HydrophobicContact CB-CE1 4.4Å; R184-F188 HydrophobicContact CB-CE2 4.07Å; R184-F188 HydrophobicContact CB-CZ 3.84Å; R184-F188 WeakPolarHBondContact O-CD1 3.46Å; R184-F188 WeakPolarHBondContact O-CD2 3.35Å; R184-F188 WeakPolarHBondContact O-CG 3.34Å; R184-F188 PolarHBondContact O-N 2.63Å; L185-F188 HydrophobicContact CD2-CD2 4.13Å; L185-F188 PolarHBondContact O-N 3.35Å; L186-F188 VanDerWaalsContact C-N 3.35Å; F188-R191 WeakPolarHBondContact O-CB 3.43Å; F188-R191 PolarHBondContact O-N 3.24Å; F188-G192 PolarHBondContact O-N 3.4Å; F188-L203 HydrophobicContact CB-CD1 3.69Å; F188-L203 HydrophobicContact CD1-CD1 4.09Å; F188-L203 HydrophobicContact CG-CD1 4Å; F188-Y206 HydrophobicContact CD1-CD2 4.46Å; F188-Y206 VanDerWaalsContact CE1-CB 3.42Å; F188-Y206 AromaticContact CE1-CD2 3.99Å; F188-Y206 HydrophobicContact CE1-CD2 3.99Å; F188-Y206 AromaticContact CE1-CG 4Å; F188-Y206 HydrophobicContact CE1-CG 4Å; F188-Y206 VanDerWaalsContact CZ-CB 3.44Å; F188-Y206 HydrophobicContact CZ-CG 4.37Å; F188-L207 HydrophobicContact CD2-CD2 3.87Å; F188-M209 HydrophobicContact CZ-CE 4.15Å; F188-D210 WeakPolarHBondContact CE2-OD2 3.44Å
189G94.8Very high94.5Very high37 Ų3746.7 Ų46.738%0.38131%0.312SS..Hα-helixtrans-59.7-47.1175.100000111.5L185 L186 R191 G192 V193L185-G189 PolarHBondContact O-N 2.63Å; L186-G189 PolarHBondContact O-N 2.8Å; G189-R191 VanDerWaalsContact C-N 3.28Å; G189-R191 PolarHBondContact O-N 3.13Å; G189-G192 PolarHBondContact O-N 3.04Å; G189-V193 WeakPolarHBondContact O-CG2 3.45Å; G189-V193 PolarHBondContact O-N 3.24Å
190A94.6Very high94.3Very high28 Ų2848.9 Ų48.923%0.23134%0.337CS..Hα-helixtrans-56.7-41.3175.900000112.2L186 V187 G194 L195 G196L186-A190 PolarHBondContact O-N 3.31Å; V187-A190 PolarHBondContact O-N 3.25Å; A190-G194 PolarHBondContact O-N 2.79Å; A190-L195 HydrophobicContact CB-CB 4.49Å; A190-L195 CarbonylContact O-C 3.6Å; A190-L195 WeakPolarHBondContact O-CA 3.48Å; A190-L195 PolarHBondContact O-N 3.45Å; A190-G196 PolarHBondContact O-N 3.22Å
191R93.9Very high94Very high24 Ų2451.2 Ų51.29%0.09136%0.361CS..Hα-helixtrans-64.1-45.9172-75.3-171.8151-178.68.9112.8T138 V187 F188 G189 V193 G194 S197 S202 L203 Y206 D261T138-R191 HydrophobicContact CG2-CG 3.66Å; T138-R191 PolarHBondContact OG1-NE 2.97Å; V187-R191 PolarHBondContact O-N 3.32Å; V187-R191 VanDerWaalsContact O-N 3.13Å; F188-R191 WeakPolarHBondContact O-CB 3.43Å; F188-R191 PolarHBondContact O-N 3.24Å; G189-R191 VanDerWaalsContact C-N 3.28Å; G189-R191 PolarHBondContact O-N 3.13Å; R191-V193 VanDerWaalsContact C-N 3.28Å; R191-V193 PolarHBondContact O-N 3.29Å; R191-G194 PolarHBondContact O-N 3.38Å; R191-G194 VanDerWaalsContact O-N 3.12Å; R191-S197 PolarHBondContact NE-O 3.45Å; R191-S197 PolarHBondContact NH2-O 3.41Å; R191-S202 PolarHBondContact NH1-OG 2.92Å; R191-L203 HydrophobicContact CB-CD1 4.45Å; R191-L203 HydrophobicContact CB-CD2 4.31Å; R191-Y206 VanDerWaalsContact NH1-CE2 3.33Å; R191-D261 IonicContact CZ-OD1 3.72Å; R191-D261 IonicContact CZ-OD2 3.24Å; R191-D261 VanDerWaalsContact CZ-OD2 3.24Å; R191-D261 IonicContact NH1-OD1 3.35Å; R191-D261 PolarHBondContact NH1-OD1 3Å; R191-D261 IonicContact NH1-OD2 2.79Å; R191-D261 PolarHBondContact NH1-OD2 3.2Å; R191-D261 VanDerWaalsContact NH2-CG 3.3Å; R191-D261 IonicContact NH2-OD1 3.25Å; R191-D261 PolarHBondContact NH2-OD1 2.85Å; R191-D261 IonicContact NH2-OD2 2.8Å; R191-D261 PolarHBondContact NH2-OD2 3.45Å
192G92.1Very high94Very high56 Ų5649.7 Ų49.758%0.57735%0.349SS*.Hα-helixtrans-62.1-32.5-177.300000113.9F188 G189F188-G192 PolarHBondContact O-N 3.4Å; G189-G192 PolarHBondContact O-N 3.04Å
193V93.5Very high94Very high107 Ų10748.8 Ų48.865%0.64834%0.335SS*.THydrogen-bonded Turntrans-92.56.7177.4-560000113.8G189 R191 L195G189-V193 WeakPolarHBondContact O-CG2 3.45Å; G189-V193 PolarHBondContact O-N 3.24Å; R191-V193 VanDerWaalsContact C-N 3.28Å; R191-V193 PolarHBondContact O-N 3.29Å; V193-L195 VanDerWaalsContact C-N 3.33Å; V193-L195 HydrophobicContact CG2-CB 4.14Å; V193-L195 HydrophobicContact CG2-CD1 3.75Å; V193-L195 HydrophobicContact CG2-CG 3.77Å; V193-L195 PolarHBondContact O-N 2.77Å
194G89.9Confident94Very high64 Ų6450.1 Ų50.166%0.6634%0.341SS*.THydrogen-bonded Turntrans77.710.2178.200000115.5A190 R191A190-G194 PolarHBondContact O-N 2.79Å; R191-G194 PolarHBondContact O-N 3.38Å; R191-G194 VanDerWaalsContact O-N 3.12Å
195L91.1Very high94.1Very high118 Ų11850 Ų5062%0.61834%0.343SS*.SBendtrans-83.4-18.4174.5-67.6176.2000113.1A190 V193A190-L195 HydrophobicContact CB-CB 4.49Å; A190-L195 CarbonylContact O-C 3.6Å; A190-L195 WeakPolarHBondContact O-CA 3.48Å; A190-L195 PolarHBondContact O-N 3.45Å; V193-L195 VanDerWaalsContact C-N 3.33Å; V193-L195 HydrophobicContact CG2-CB 4.14Å; V193-L195 HydrophobicContact CG2-CD1 3.75Å; V193-L195 HydrophobicContact CG2-CG 3.77Å; V193-L195 PolarHBondContact O-N 2.77Å
196G92.4Very high94.2Very high19 Ų1945.3 Ų45.320%0.19632%0.319CS..SBendtrans-114.7160178.100000112.7T138 A190T138-G196 WeakPolarHBondContact O-CA 3.32Å; A190-G196 PolarHBondContact O-N 3.22Å
197S94.1Very high94.3Very high24 Ų2443.1 Ų43.117%0.16831%0.307CS..  trans-113161.9-175.959.50000112.9C137 T138 R191 W264C137-S197 CarbonylContact C-O 3.49Å; C137-S197 CarbonylContact O-C 3.56Å; C137-S197 PolarHBondContact O-OG 3.31Å; T138-S197 WeakPolarHBondContact CA-O 3.45Å; T138-S197 PolarHBondContact O-N 2.88Å; T138-S197 PolarHBondContact O-OG 3.27Å; R191-S197 PolarHBondContact NE-O 3.45Å; R191-S197 PolarHBondContact NH2-O 3.41Å; S197-W264 WeakPolarHBondContact OG-CH2 3.01Å
198G94.9Very high94.4Very high18 Ų1848.2 Ų48.219%0.18632%0.324CS..  trans158.1175.3-178.800000114.4W264G198-W264 PolarHBondContact O-NE1 3.37Å
199A95.3Very high94.5Very high11 Ų1148.5 Ų48.59%0.09133%0.325CS..  trans-66.5132.3171.900000110.2G201 S202 P260 D261 W264A199-G201 PolarHBondContact O-N 2.82Å; A199-S202 PolarHBondContact O-N 3.18Å; A199-S202 VanDerWaalsContact O-N 3.11Å; A199-S202 PolarHBondContact O-OG 3.26Å; A199-P260 HydrophobicContact CB-CB 3.88Å; A199-D261 WeakPolarHBondContact CB-OD1 3.17Å; A199-D261 PolarHBondContact N-OD1 2.72Å; A199-W264 HydrophobicContact CB-CB 3.97Å; A199-W264 HydrophobicContact CB-CG 4.38Å
200P88.6Confident94.6Very high125 Ų12547.6 Ų47.681%0.81231%0.312SS*.THydrogen-bonded Turntrans-55.9-30.7-177.4-28.434.9000114.7
201G90.4Very high94.8Very high50 Ų5049.1 Ų49.152%0.51533%0.325SS..THydrogen-bonded Turntrans-88.7-6.1-178.400000116A199 C205A199-G201 PolarHBondContact O-N 2.82Å; G201-C205 PolarHBondContact O-SG 2.74Å
202S96Very high95Very high0 Ų050.2 Ų50.20%033%0.332CS..Hα-helixtrans-82.1-32.9-172.9630000113.3R191 A199 C205 Y206 G257 D261R191-S202 PolarHBondContact NH1-OG 2.92Å; A199-S202 PolarHBondContact O-N 3.18Å; A199-S202 VanDerWaalsContact O-N 3.11Å; A199-S202 PolarHBondContact O-OG 3.26Å; S202-C205 VanDerWaalsContact O-CB 3.32Å; S202-C205 WeakPolarHBondContact O-CB 3.46Å; S202-C205 PolarHBondContact O-N 2.88Å; S202-Y206 WeakPolarHBondContact O-CD2 3.46Å; S202-Y206 PolarHBondContact O-N 3.02Å; S202-Y206 VanDerWaalsContact O-N 3.09Å; S202-G257 WeakPolarHBondContact CB-O 3.49Å; S202-D261 VanDerWaalsContact CB-OD1 3.26Å; S202-D261 WeakPolarHBondContact CB-OD1 3.28Å; S202-D261 PolarHBondContact OG-OD1 3.06Å; S202-D261 PolarHBondContact OG-OD2 2.93Å
203L95.8Very high95.3Very high40 Ų4049.5 Ų49.521%0.20932%0.321CS..Hα-helixtrans-58.8-46.8-177.9178.564000113.5F188 R191 C205 Y206 L207F188-L203 HydrophobicContact CB-CD1 3.69Å; F188-L203 HydrophobicContact CD1-CD1 4.09Å; F188-L203 HydrophobicContact CG-CD1 4Å; R191-L203 HydrophobicContact CB-CD1 4.45Å; R191-L203 HydrophobicContact CB-CD2 4.31Å; L203-C205 PolarHBondContact O-N 3.16Å; L203-Y206 PolarHBondContact O-N 3.25Å; L203-Y206 VanDerWaalsContact O-N 3.17Å; L203-L207 HydrophobicContact CD1-CG 4.48Å; L203-L207 HydrophobicContact CG-CD1 4.4Å; L203-L207 PolarHBondContact O-N 2.88Å
204P97Very high95.4Very high53 Ų5349 Ų4934%0.34431%0.314SS..Hα-helixtrans-59.3-34.3174.4-25.135.1000113.4R208P204-R208 WeakPolarHBondContact O-CG 3.4Å; P204-R208 PolarHBondContact O-N 2.71Å; P204-R208 VanDerWaalsContact O-N 3.08Å
205C98Very high95.8Very high15 Ų1550.3 Ų50.310%0.10131%0.305CS..Hα-helixtrans-65.6-43.2176.9-58.80000110.6G201 S202 L203 L207 R208 M209 Q253G201-C205 PolarHBondContact O-SG 2.74Å; S202-C205 VanDerWaalsContact O-CB 3.32Å; S202-C205 WeakPolarHBondContact O-CB 3.46Å; S202-C205 PolarHBondContact O-N 2.88Å; L203-C205 PolarHBondContact O-N 3.16Å; C205-L207 PolarHBondContact O-N 3.28Å; C205-R208 PolarHBondContact O-N 2.92Å; C205-M209 WeakPolarHBondContact O-CB 3.25Å; C205-M209 PolarHBondContact O-N 3.28Å; C205-Q253 WeakPolarHBondContact CB-O 3.48Å; C205-Q253 WeakPolarHBondContact O-CB 3.41Å
206Y97.8Very high96.1Very high0 Ų044.8 Ų44.80%028%0.277CS..Hα-helixtrans-68.8-34.6178.1-54.9-37.7000113.9I134 F188 R191 S202 L203 M209 D210 G257 V258 D261I134-Y206 HydrophobicContact CB-CE2 4.41Å; I134-Y206 HydrophobicContact CD1-CD1 3.79Å; I134-Y206 HydrophobicContact CD1-CD2 4.28Å; I134-Y206 HydrophobicContact CD1-CE1 3.86Å; I134-Y206 HydrophobicContact CD1-CE2 4.31Å; I134-Y206 HydrophobicContact CD1-CG 4.02Å; I134-Y206 HydrophobicContact CG1-CD1 4.3Å; I134-Y206 HydrophobicContact CG1-CD2 4.41Å; I134-Y206 HydrophobicContact CG1-CE1 3.88Å; I134-Y206 HydrophobicContact CG1-CE2 3.98Å; I134-Y206 HydrophobicContact CG2-CD2 4.04Å; I134-Y206 HydrophobicContact CG2-CE2 3.9Å; F188-Y206 HydrophobicContact CD1-CD2 4.46Å; F188-Y206 VanDerWaalsContact CE1-CB 3.42Å; F188-Y206 AromaticContact CE1-CD2 3.99Å; F188-Y206 HydrophobicContact CE1-CD2 3.99Å; F188-Y206 AromaticContact CE1-CG 4Å; F188-Y206 HydrophobicContact CE1-CG 4Å; F188-Y206 VanDerWaalsContact CZ-CB 3.44Å; F188-Y206 HydrophobicContact CZ-CG 4.37Å; R191-Y206 VanDerWaalsContact NH1-CE2 3.33Å; S202-Y206 WeakPolarHBondContact O-CD2 3.46Å; S202-Y206 PolarHBondContact O-N 3.02Å; S202-Y206 VanDerWaalsContact O-N 3.09Å; L203-Y206 PolarHBondContact O-N 3.25Å; L203-Y206 VanDerWaalsContact O-N 3.17Å; Y206-M209 WeakPolarHBondContact O-CB 3.46Å; Y206-M209 PolarHBondContact O-N 3.24Å; Y206-D210 PolarHBondContact O-N 3.05Å; Y206-D210 VanDerWaalsContact O-N 3.07Å; Y206-G257 PolarHBondContact OH-O 3.5Å; Y206-G257 VanDerWaalsContact OH-O 3.13Å; Y206-V258 HydrophobicContact CE1-CG2 4.07Å; Y206-V258 WeakPolarHBondContact OH-CA 3.46Å; Y206-V258 PolarHBondContact OH-N 3.26Å; Y206-D261 VanDerWaalsContact CE2-OD2 3.24Å; Y206-D261 WeakPolarHBondContact CE2-OD2 3.41Å; Y206-D261 VanDerWaalsContact OH-CG 3.28Å; Y206-D261 PolarHBondContact OH-OD2 3.04Å
207L97.6Very high96.3Very high86 Ų8644.6 Ų44.645%0.4527%0.274SS..Hα-helixtrans-63.4-42.9172.1-69.7171.9000111.4F188 L203 C205 A211F188-L207 HydrophobicContact CD2-CD2 3.87Å; L203-L207 HydrophobicContact CD1-CG 4.48Å; L203-L207 HydrophobicContact CG-CD1 4.4Å; L203-L207 PolarHBondContact O-N 2.88Å; C205-L207 PolarHBondContact O-N 3.28Å; L207-A211 VanDerWaalsContact O-CB 3.3Å; L207-A211 WeakPolarHBondContact O-CB 3.14Å; L207-A211 PolarHBondContact O-N 3.3Å
208R98.3Very high96.4Very high130 Ų13047.7 Ų47.749%0.49129%0.289SS..Hα-helixtrans-65.6-39.9174.5-68.6178.9-151.5125.1-0.3111.9P204 C205 A211 L212 Q253P204-R208 WeakPolarHBondContact O-CG 3.4Å; P204-R208 PolarHBondContact O-N 2.71Å; P204-R208 VanDerWaalsContact O-N 3.08Å; C205-R208 PolarHBondContact O-N 2.92Å; R208-A211 PolarHBondContact O-N 3.39Å; R208-L212 WeakPolarHBondContact O-CB 3.4Å; R208-L212 VanDerWaalsContact O-CG 3.22Å; R208-L212 WeakPolarHBondContact O-CG 3.26Å; R208-L212 PolarHBondContact O-N 3.46Å; R208-Q253 HydrophobicContact CB-CG 3.96Å
209M98.3Very high96.6Very high13 Ų1348.2 Ų48.26%0.06429%0.288CS..Hα-helixtrans-54.2-54.5175.4172-158.578.700111.1I134 F188 C205 Y206 L212 A213 S250 Q253 L254I134-M209 HydrophobicContact CD1-CE 4.38Å; F188-M209 HydrophobicContact CZ-CE 4.15Å; C205-M209 WeakPolarHBondContact O-CB 3.25Å; C205-M209 PolarHBondContact O-N 3.28Å; Y206-M209 WeakPolarHBondContact O-CB 3.46Å; Y206-M209 PolarHBondContact O-N 3.24Å; M209-L212 PolarHBondContact O-N 3.12Å; M209-A213 WeakPolarHBondContact O-CB 3.2Å; M209-A213 PolarHBondContact O-N 3.33Å; M209-A213 VanDerWaalsContact O-N 3.07Å; M209-S250 WeakPolarHBondContact CG-O 3.45Å; M209-S250 WeakPolarHBondContact CG-OG 3.39Å; M209-S250 WeakPolarHBondContact O-CB 3.39Å; M209-S250 PolarHBondContact O-OG 2.89Å; M209-Q253 HydrophobicContact CB-CB 3.94Å; M209-L254 HydrophobicContact CG-CB 4.03Å; M209-L254 HydrophobicContact SD-CB 3.61Å; M209-L254 HydrophobicContact SD-CD1 3.57Å; M209-L254 VanDerWaalsContact SD-CD1 3.57Å; M209-L254 HydrophobicContact SD-CG 4.07Å
210D97.2Very high96.6Very high19 Ų1948 Ų4810%0.10229%0.286CS..Hα-helixtrans-69.3-35.7-178.9-91.3-12.4000112.1R184 F188 Y206 A213 L214R184-D210 IonicContact CZ-OD1 3.29Å; R184-D210 VanDerWaalsContact CZ-OD1 3.29Å; R184-D210 IonicContact CZ-OD2 3.97Å; R184-D210 IonicContact NE-OD1 2.98Å; R184-D210 PolarHBondContact NE-OD1 3.25Å; R184-D210 IonicContact NE-OD2 3.13Å; R184-D210 PolarHBondContact NE-OD2 2.85Å; R184-D210 VanDerWaalsContact NE-OD2 3.13Å; R184-D210 IonicContact NH2-OD1 2.77Å; R184-D210 PolarHBondContact NH2-OD1 3.41Å; R184-D210 IonicContact NH2-OD2 3.92Å; F188-D210 WeakPolarHBondContact CE2-OD2 3.44Å; Y206-D210 PolarHBondContact O-N 3.05Å; Y206-D210 VanDerWaalsContact O-N 3.07Å; D210-A213 PolarHBondContact O-N 3.06Å; D210-L214 VanDerWaalsContact O-CB 3.3Å; D210-L214 WeakPolarHBondContact O-CB 3.36Å; D210-L214 PolarHBondContact O-N 3.27Å
211A98.2Very high96.9Very high60 Ų6044.8 Ų44.850%0.49626%0.264SS..Hα-helixtrans-62.5-45.6175.500000112.2L207 R208 L214 L215L207-A211 VanDerWaalsContact O-CB 3.3Å; L207-A211 WeakPolarHBondContact O-CB 3.14Å; L207-A211 PolarHBondContact O-N 3.3Å; R208-A211 PolarHBondContact O-N 3.39Å; A211-L214 PolarHBondContact O-N 2.97Å; A211-L215 VanDerWaalsContact O-CB 3.27Å; A211-L215 WeakPolarHBondContact O-CB 3.24Å; A211-L215 PolarHBondContact O-N 3.48Å
212L98.6Very high97.2Very high47 Ų4744 Ų4425%0.24625%0.252CS..Hα-helixtrans-64.2-43.7177.2-70.9169.7000111.5R208 M209 L215 G216 L246 Q253R208-L212 WeakPolarHBondContact O-CB 3.4Å; R208-L212 VanDerWaalsContact O-CG 3.22Å; R208-L212 WeakPolarHBondContact O-CG 3.26Å; R208-L212 PolarHBondContact O-N 3.46Å; M209-L212 PolarHBondContact O-N 3.12Å; L212-L215 PolarHBondContact O-N 2.92Å; L212-G216 PolarHBondContact O-N 3.32Å; L212-L246 HydrophobicContact CD2-CD2 3.77Å; L212-Q253 HydrophobicContact CD1-CG 3.98Å
213A97.7Very high97.3Very high41 Ų4145.6 Ų45.634%0.33926%0.258SS..Hα-helixtrans-63-45.2177.800000112M209 D210 G216 G217M209-A213 WeakPolarHBondContact O-CB 3.2Å; M209-A213 PolarHBondContact O-N 3.33Å; M209-A213 VanDerWaalsContact O-N 3.07Å; D210-A213 PolarHBondContact O-N 3.06Å; A213-G216 PolarHBondContact O-N 3.39Å; A213-G217 PolarHBondContact O-N 3.5Å
214L96.7Very high97.3Very high97 Ų9746 Ų4651%0.50826%0.26SS..Hα-helixtrans-63.6-47.4177.2179.161.3000111.2D210 A211 G216 G217 L218D210-L214 VanDerWaalsContact O-CB 3.3Å; D210-L214 WeakPolarHBondContact O-CB 3.36Å; D210-L214 PolarHBondContact O-N 3.27Å; A211-L214 PolarHBondContact O-N 2.97Å; L214-G216 VanDerWaalsContact C-N 3.34Å; L214-G216 PolarHBondContact O-N 3.07Å; L214-G217 PolarHBondContact O-N 3.29Å; L214-L218 HydrophobicContact CD1-CD1 4.14Å; L214-L218 HydrophobicContact CD1-CG 4.11Å; L214-L218 HydrophobicContact CG-CD1 3.98Å; L214-L218 HydrophobicContact CG-CG 4.37Å; L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 VanDerWaalsContact O-CG 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3.3Å
215L98.1Very high97.4Very high91 Ų9144.6 Ų44.648%0.47625%0.251SS..Hα-helixtrans-58.9-46.3178.6-179.961.3000111.2A211 L212 G217 L218 V219 L246A211-L215 VanDerWaalsContact O-CB 3.27Å; A211-L215 WeakPolarHBondContact O-CB 3.24Å; A211-L215 PolarHBondContact O-N 3.48Å; L212-L215 PolarHBondContact O-N 2.92Å; L215-G217 PolarHBondContact O-N 3.19Å; L215-L218 PolarHBondContact O-N 3.26Å; L215-V219 HydrophobicContact CD1-CG2 4.2Å; L215-V219 HydrophobicContact CG-CG2 4.47Å; L215-V219 WeakPolarHBondContact O-CB 3.26Å; L215-V219 VanDerWaalsContact O-CG2 3.28Å; L215-V219 WeakPolarHBondContact O-CG2 3.28Å; L215-V219 PolarHBondContact O-N 3.04Å; L215-L246 HydrophobicContact CB-CD1 4.3Å; L215-L246 HydrophobicContact CD2-CD1 4.08Å; L215-L246 HydrophobicContact CG-CD1 3.88Å
216G97.7Very high97.4Very high2 Ų243.9 Ų43.92%0.02125%0.246CC..Hα-helixtrans-60-44.7176.200000112.6L212 A213 L214 L218 V219 N220L212-G216 PolarHBondContact O-N 3.32Å; A213-G216 PolarHBondContact O-N 3.39Å; L214-G216 VanDerWaalsContact C-N 3.34Å; L214-G216 PolarHBondContact O-N 3.07Å; G216-L218 PolarHBondContact O-N 2.83Å; G216-V219 PolarHBondContact O-N 3.46Å; G216-N220 WeakPolarHBondContact O-CB 3.41Å; G216-N220 PolarHBondContact O-N 3.26Å
217G96.1Very high97.3Very high14 Ų1451 Ų5114%0.14427%0.273CS..Hα-helixtrans-60.7-43.7175.600000112.9A213 L214 L215 N220 V221A213-G217 PolarHBondContact O-N 3.5Å; L214-G217 PolarHBondContact O-N 3.29Å; L215-G217 PolarHBondContact O-N 3.19Å; G217-N220 PolarHBondContact O-N 3.34Å; G217-V221 WeakPolarHBondContact O-CB 3.4Å; G217-V221 VanDerWaalsContact O-CG2 3.32Å; G217-V221 WeakPolarHBondContact O-CG2 3.3Å; G217-V221 PolarHBondContact O-N 3.45Å
218L97.2Very high97.3Very high90 Ų9056.6 Ų56.647%0.47129%0.288SS..Hα-helixtrans-65.9-45.1178.3-70.4174.9000112L174 L214 L215 G216 N220 V221 A222L174-L218 HydrophobicContact CD2-CD2 4.35Å; L214-L218 HydrophobicContact CD1-CD1 4.14Å; L214-L218 HydrophobicContact CD1-CG 4.11Å; L214-L218 HydrophobicContact CG-CD1 3.98Å; L214-L218 HydrophobicContact CG-CG 4.37Å; L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 VanDerWaalsContact O-CG 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3.3Å; L215-L218 PolarHBondContact O-N 3.26Å; G216-L218 PolarHBondContact O-N 2.83Å; L218-N220 VanDerWaalsContact C-N 3.31Å; L218-N220 PolarHBondContact O-N 3.03Å; L218-V221 PolarHBondContact O-N 3.05Å; L218-A222 VanDerWaalsContact O-CB 3.25Å; L218-A222 WeakPolarHBondContact O-CB 3.47Å; L218-A222 PolarHBondContact O-N 3.39Å
219V97.4Very high97.2Very high28 Ų2850.8 Ų50.817%0.1727%0.269CS..Hα-helixtrans-57.3-46.4175.4168.30000110.4L215 G216 A222 R223 L224 S239 I242L215-V219 HydrophobicContact CD1-CG2 4.2Å; L215-V219 HydrophobicContact CG-CG2 4.47Å; L215-V219 WeakPolarHBondContact O-CB 3.26Å; L215-V219 VanDerWaalsContact O-CG2 3.28Å; L215-V219 WeakPolarHBondContact O-CG2 3.28Å; L215-V219 PolarHBondContact O-N 3.04Å; G216-V219 PolarHBondContact O-N 3.46Å; V219-A222 PolarHBondContact O-N 3.09Å; V219-R223 PolarHBondContact O-N 3.46Å; V219-L224 VanDerWaalsContact CG1-O 3.32Å; V219-L224 WeakPolarHBondContact CG1-O 3.47Å; V219-L224 PolarHBondContact O-N 3.11Å; V219-S239 WeakPolarHBondContact O-CB 3.15Å; V219-I242 HydrophobicContact CG1-CB 4.12Å; V219-I242 HydrophobicContact CG1-CD1 4.4Å; V219-I242 HydrophobicContact CG1-CG2 3.92Å
220N96.1Very high97.2Very high8 Ų853.3 Ų53.34%0.04329%0.287CS..Hα-helixtrans-67.3-39.6179.8-164.831.5000113.5G216 G217 L218 A222 R223 S239 M243G216-N220 WeakPolarHBondContact O-CB 3.41Å; G216-N220 PolarHBondContact O-N 3.26Å; G217-N220 PolarHBondContact O-N 3.34Å; L218-N220 VanDerWaalsContact C-N 3.31Å; L218-N220 PolarHBondContact O-N 3.03Å; N220-A222 VanDerWaalsContact C-N 3.35Å; N220-R223 VanDerWaalsContact O-CD 3.26Å; N220-R223 WeakPolarHBondContact O-CD 3.44Å; N220-R223 PolarHBondContact O-N 2.82Å; N220-R223 PolarHBondContact O-NE 3.31Å; N220-R223 PolarHBondContact OD1-NH1 2.99Å; N220-S239 PolarHBondContact OD1-OG 3.03Å; N220-M243 HydrophobicContact CB-CB 4Å; N220-M243 HydrophobicContact CB-CG 4.18Å; N220-M243 HydrophobicContact CB-SD 3.58Å; N220-M243 VanDerWaalsContact CB-SD 3.58Å; N220-M243 PolarHBondContact ND2-SD 2.9Å
221V96Very high97.1Very high57 Ų5753.8 Ų53.835%0.34530%0.295SS..Hα-helixtrans-65.9-39.9175168.30000111T170 L174 G217 L218 R223T170-V221 HydrophobicContact CG2-CG2 3.8Å; L174-V221 HydrophobicContact CD2-CG2 4.05Å; G217-V221 WeakPolarHBondContact O-CB 3.4Å; G217-V221 VanDerWaalsContact O-CG2 3.32Å; G217-V221 WeakPolarHBondContact O-CG2 3.3Å; G217-V221 PolarHBondContact O-N 3.45Å; L218-V221 PolarHBondContact O-N 3.05Å; V221-R223 VanDerWaalsContact C-N 3.27Å; V221-R223 PolarHBondContact O-N 3.23Å
222A96.4Very high97.1Very high32 Ų3261 Ų6126%0.26431%0.31SS..Hα-helixtrans-73.5-18.2179.900000113.6L218 V219 N220 L224 R227L218-A222 VanDerWaalsContact O-CB 3.25Å; L218-A222 WeakPolarHBondContact O-CB 3.47Å; L218-A222 PolarHBondContact O-N 3.39Å; V219-A222 PolarHBondContact O-N 3.09Å; N220-A222 VanDerWaalsContact C-N 3.35Å; A222-L224 VanDerWaalsContact C-N 3.33Å; A222-L224 HydrophobicContact CB-CD1 3.87Å; A222-L224 HydrophobicContact CB-CG 3.86Å; A222-R227 WeakPolarHBondContact O-CD 3.45Å
223R96.8Very high97Very high34 Ų3461.6 Ų61.613%0.12831%0.31CS..THydrogen-bonded Turntrans58.742.2-175.2-56.4-66-175.3-168.83112.3F24 V219 N220 V221 E226 R227F24-R223 HydrophobicContact CD2-CB 3.8Å; F24-R223 HydrophobicContact CD2-CG 4.32Å; F24-R223 HydrophobicContact CE2-CB 3.92Å; F24-R223 HydrophobicContact CE2-CG 4.32Å; V219-R223 PolarHBondContact O-N 3.46Å; N220-R223 VanDerWaalsContact O-CD 3.26Å; N220-R223 WeakPolarHBondContact O-CD 3.44Å; N220-R223 PolarHBondContact O-N 2.82Å; N220-R223 PolarHBondContact O-NE 3.31Å; N220-R223 PolarHBondContact OD1-NH1 2.99Å; V221-R223 VanDerWaalsContact C-N 3.27Å; V221-R223 PolarHBondContact O-N 3.23Å; R223-E226 VanDerWaalsContact C-CD 3.47Å; R223-E226 WeakPolarHBondContact CA-OE1 3.45Å; R223-E226 HydrophobicContact CB-CG 4.44Å; R223-E226 VanDerWaalsContact O-CD 3.24Å; R223-E226 PolarHBondContact O-N 3.36Å; R223-R227 HydrophobicContact CB-CB 4.36Å; R223-R227 WeakPolarHBondContact O-CB 3.27Å; R223-R227 PolarHBondContact O-N 3.25Å
224L97.1Very high97Very high48 Ų4859.7 Ų59.725%0.25130%0.295SS..THydrogen-bonded Turntrans-100.9138179.7-65.6175.4000110.3V219 A222 R227 W228 S239V219-L224 VanDerWaalsContact CG1-O 3.32Å; V219-L224 WeakPolarHBondContact CG1-O 3.47Å; V219-L224 PolarHBondContact O-N 3.11Å; A222-L224 VanDerWaalsContact C-N 3.33Å; A222-L224 HydrophobicContact CB-CD1 3.87Å; A222-L224 HydrophobicContact CB-CG 3.86Å; L224-R227 HydrophobicContact CD2-CB 4.22Å; L224-W228 HydrophobicContact CD1-CH2 4.45Å; L224-W228 HydrophobicContact CD1-CZ2 4.06Å; L224-W228 HydrophobicContact CD2-CD2 3.75Å; L224-W228 HydrophobicContact CD2-CE3 4.39Å; L224-W228 HydrophobicContact CD2-CG 4.07Å; L224-W228 HydrophobicContact CD2-CH2 4.4Å; L224-W228 HydrophobicContact CD2-CZ2 3.76Å; L224-S239 VanDerWaalsContact O-CA 3.26Å; L224-S239 WeakPolarHBondContact O-CA 3.47Å; L224-S239 WeakPolarHBondContact O-CB 3.38Å
225P97.8Very high97Very high24 Ų2458.3 Ų58.316%0.15628%0.283CS..THydrogen-bonded Turncis-91-4.37.936.3-37.6000115.3R227 W228 G229 F233 G237P225-R227 PolarHBondContact O-N 2.87Å; P225-R227 VanDerWaalsContact O-N 3.1Å; P225-W228 HydrophobicContact CB-CE3 4.25Å; P225-W228 WeakPolarHBondContact O-CB 3.34Å; P225-W228 PolarHBondContact O-N 3.19Å; P225-G229 PolarHBondContact O-N 3.12Å; P225-F233 HydrophobicContact CB-CD2 4.45Å; P225-F233 HydrophobicContact CB-CE1 4.16Å; P225-F233 HydrophobicContact CB-CE2 3.93Å; P225-F233 HydrophobicContact CB-CZ 3.76Å; P225-F233 HydrophobicContact CG-CD1 3.64Å; P225-F233 HydrophobicContact CG-CD2 4.1Å; P225-F233 HydrophobicContact CG-CE1 3.45Å; P225-F233 VanDerWaalsContact CG-CE1 3.45Å; P225-F233 HydrophobicContact CG-CE2 3.91Å; P225-F233 HydrophobicContact CG-CG 3.96Å; P225-F233 HydrophobicContact CG-CZ 3.59Å; P225-G237 WeakPolarHBondContact CD-O 3.31Å; P225-G237 VanDerWaalsContact CG-O 3.28Å; P225-G237 WeakPolarHBondContact CG-O 3.42Å
226E98Very high97Very high0 Ų060.9 Ų60.90%029%0.287CS..THydrogen-bonded Turntrans-62.1-25.7-170.669.8-87.2-158.400113.9N22 F24 R223 W228 G229 P230 F233 S239N22-E226 PolarHBondContact ND2-OE1 3.37Å; F24-E226 HydrophobicContact CB-CB 4.07Å; F24-E226 HydrophobicContact CB-CG 3.63Å; F24-E226 HydrophobicContact CD2-CG 4.36Å; F24-E226 HydrophobicContact CG-CG 4.41Å; R223-E226 VanDerWaalsContact C-CD 3.47Å; R223-E226 WeakPolarHBondContact CA-OE1 3.45Å; R223-E226 HydrophobicContact CB-CG 4.44Å; R223-E226 VanDerWaalsContact O-CD 3.24Å; R223-E226 PolarHBondContact O-N 3.36Å; E226-W228 VanDerWaalsContact C-N 3.28Å; E226-W228 PolarHBondContact O-N 2.76Å; E226-G229 CarbonylContact O-C 3.45Å; E226-G229 PolarHBondContact O-N 3.19Å; E226-P230 WeakPolarHBondContact O-CA 3.45Å; E226-P230 VanDerWaalsContact O-N 3.07Å; E226-F233 HydrophobicContact CB-CB 3.99Å; E226-F233 HydrophobicContact CB-CD2 4.31Å; E226-S239 WeakPolarHBondContact OE1-CB 3.4Å; E226-S239 PolarHBondContact OE1-OG 3.44Å; E226-S239 WeakPolarHBondContact OE2-CB 3.44Å; E226-S239 PolarHBondContact OE2-N 3.34Å
227R97.1Very high96.9Very high149 Ų14962.1 Ų62.156%0.56230%0.3SS*.THydrogen-bonded Turntrans-63.4-30.5171.8176.7174.7-176.1179.70.7113.4F24 A222 R223 L224 P225F24-R227 HydrophobicContact CD2-CB 3.96Å; F24-R227 HydrophobicContact CE1-CB 4.35Å; F24-R227 HydrophobicContact CE1-CG 4.1Å; F24-R227 HydrophobicContact CE2-CB 3.75Å; F24-R227 HydrophobicContact CE2-CG 3.88Å; F24-R227 HydrophobicContact CG-CB 4.35Å; F24-R227 HydrophobicContact CZ-CB 3.96Å; F24-R227 HydrophobicContact CZ-CG 3.63Å; A222-R227 WeakPolarHBondContact O-CD 3.45Å; R223-R227 HydrophobicContact CB-CB 4.36Å; R223-R227 WeakPolarHBondContact O-CB 3.27Å; R223-R227 PolarHBondContact O-N 3.25Å; L224-R227 HydrophobicContact CD2-CB 4.22Å; P225-R227 PolarHBondContact O-N 2.87Å; P225-R227 VanDerWaalsContact O-N 3.1Å
228W96.9Very high96.9Very high204 Ų20461.8 Ų61.877%0.77330%0.295SS*.THydrogen-bonded Turntrans-81.3-27.3177.4-64.8-27.9000112.7L224 P225 E226L224-W228 HydrophobicContact CD1-CH2 4.45Å; L224-W228 HydrophobicContact CD1-CZ2 4.06Å; L224-W228 HydrophobicContact CD2-CD2 3.75Å; L224-W228 HydrophobicContact CD2-CE3 4.39Å; L224-W228 HydrophobicContact CD2-CG 4.07Å; L224-W228 HydrophobicContact CD2-CH2 4.4Å; L224-W228 HydrophobicContact CD2-CZ2 3.76Å; P225-W228 HydrophobicContact CB-CE3 4.25Å; P225-W228 WeakPolarHBondContact O-CB 3.34Å; P225-W228 PolarHBondContact O-N 3.19Å; E226-W228 VanDerWaalsContact C-N 3.28Å; E226-W228 PolarHBondContact O-N 2.76Å
229G96.4Very high97Very high9 Ų957.5 Ų57.59%0.09327%0.272CS..SBendtrans-139.877.4177.700000111.6P225 E226 G231 R232P225-G229 PolarHBondContact O-N 3.12Å; E226-G229 CarbonylContact O-C 3.45Å; E226-G229 PolarHBondContact O-N 3.19Å; G229-G231 PolarHBondContact O-N 3.47Å; G229-R232 WeakPolarHBondContact O-CB 3.47Å; G229-R232 PolarHBondContact O-N 2.99Å; G229-R232 VanDerWaalsContact O-N 3.07Å
230P97.4Very high97Very high66 Ų6657.4 Ų57.443%0.42927%0.27SS..THydrogen-bonded Turntrans-55.6137.8178.8-2535.1000111.2F24 L26 E226 R232F24-P230 HydrophobicContact CD1-CB 4.42Å; F24-P230 HydrophobicContact CD1-CG 3.94Å; F24-P230 WeakPolarHBondContact O-CA 3.45Å; L26-P230 HydrophobicContact CD1-CB 4.25Å; E226-P230 WeakPolarHBondContact O-CA 3.45Å; E226-P230 VanDerWaalsContact O-N 3.07Å; P230-R232 PolarHBondContact O-N 3.07Å
231G96Very high97.1Very high28 Ų2857.5 Ų57.529%0.28927%0.27SS..THydrogen-bonded Turntrans81.5-23.3-176.100000115.4F24 G229 F233 D234F24-G231 PolarHBondContact O-N 3.26Å; G229-G231 PolarHBondContact O-N 3.47Å; G231-F233 VanDerWaalsContact C-N 3.34Å; G231-F233 PolarHBondContact O-N 3.47Å; G231-D234 WeakPolarHBondContact CA-OD1 3.49Å
232R96.9Very high97.2Very high213 Ų21357.2 Ų57.280%0.80427%0.266SS*.THydrogen-bonded Turntrans-74.5-25.5-176.7-64.4-171.3175.8-171.9-1.5113.5G229 P230G229-R232 WeakPolarHBondContact O-CB 3.47Å; G229-R232 PolarHBondContact O-N 2.99Å; G229-R232 VanDerWaalsContact O-N 3.07Å; P230-R232 PolarHBondContact O-N 3.07Å
233F97.4Very high97.3Very high58 Ų5857.7 Ų57.725%0.25426%0.263SS..THydrogen-bonded Turntrans-113.722.3-173.6-59.5-86.1000112.2P225 E226 G231 Y235 W236 N238P225-F233 HydrophobicContact CB-CD2 4.45Å; P225-F233 HydrophobicContact CB-CE1 4.16Å; P225-F233 HydrophobicContact CB-CE2 3.93Å; P225-F233 HydrophobicContact CB-CZ 3.76Å; P225-F233 HydrophobicContact CG-CD1 3.64Å; P225-F233 HydrophobicContact CG-CD2 4.1Å; P225-F233 HydrophobicContact CG-CE1 3.45Å; P225-F233 VanDerWaalsContact CG-CE1 3.45Å; P225-F233 HydrophobicContact CG-CE2 3.91Å; P225-F233 HydrophobicContact CG-CG 3.96Å; P225-F233 HydrophobicContact CG-CZ 3.59Å; E226-F233 HydrophobicContact CB-CB 3.99Å; E226-F233 HydrophobicContact CB-CD2 4.31Å; G231-F233 VanDerWaalsContact C-N 3.34Å; G231-F233 PolarHBondContact O-N 3.47Å; F233-Y235 VanDerWaalsContact C-N 3.28Å; F233-Y235 PolarHBondContact O-N 3.48Å; F233-W236 WeakPolarHBondContact CA-O 3.27Å; F233-N238 HydrophobicContact CB-CB 4.26Å; F233-N238 WeakPolarHBondContact O-CB 3.34Å; F233-N238 PolarHBondContact O-ND2 3.33Å
234D97.3Very high97.4Very high2 Ų256.2 Ų56.21%0.01126%0.258CS..SBendtrans-59.7-40-175-75.3-0.3000112.3V25 L26 T27 N47 G231V25-D234 VanDerWaalsContact CA-OD1 3.23Å; V25-D234 WeakPolarHBondContact CA-OD1 3.4Å; V25-D234 HydrophobicContact CG1-CB 4.29Å; L26-D234 PolarHBondContact N-OD1 3.44Å; L26-D234 PolarHBondContact N-OD2 3.09Å; T27-D234 WeakPolarHBondContact CA-OD2 3.48Å; T27-D234 WeakPolarHBondContact CB-OD2 3.38Å; T27-D234 PolarHBondContact N-OD2 3.25Å; T27-D234 PolarHBondContact OG1-OD2 3.2Å; N47-D234 VanDerWaalsContact CA-O 3.32Å; N47-D234 WeakPolarHBondContact CA-O 3.16Å; N47-D234 WeakPolarHBondContact CB-O 3.41Å; G231-D234 WeakPolarHBondContact CA-OD1 3.49Å
235Y96.7Very high97.4Very high68 Ų6858.9 Ų58.927%0.26727%0.272SS..SBendtrans-99.8-34.4-176.4-62.4-88.9000113.2L9 G28 L45 F233 Q241L9-Y235 HydrophobicContact CD1-CE1 4.39Å; G28-Y235 WeakPolarHBondContact CA-OH 3.38Å; L45-Y235 HydrophobicContact CD1-CD1 4Å; L45-Y235 HydrophobicContact CD2-CD1 4.03Å; L45-Y235 HydrophobicContact CD2-CE1 4.35Å; L45-Y235 HydrophobicContact CD2-CG 4.48Å; L45-Y235 HydrophobicContact CG-CD1 3.62Å; L45-Y235 HydrophobicContact CG-CE1 4Å; L45-Y235 HydrophobicContact CG-CG 4.45Å; F233-Y235 VanDerWaalsContact C-N 3.28Å; F233-Y235 PolarHBondContact O-N 3.48Å; Y235-Q241 PolarHBondContact O-NE2 3.42Å
236W97.4Very high97.5Very high144 Ų14459.4 Ų59.455%0.54527%0.273SS..SBendtrans-142141.5-170.8-60.8109.5000111.9L45 L49 F233 N238 Q241L45-W236 HydrophobicContact CD1-CZ2 4.08Å; L49-W236 HydrophobicContact CD2-CH2 4.48Å; L49-W236 HydrophobicContact CD2-CZ2 4.4Å; F233-W236 WeakPolarHBondContact CA-O 3.27Å; W236-N238 VanDerWaalsContact C-N 3.33Å; W236-N238 PolarHBondContact O-N 2.88Å; W236-Q241 VanDerWaalsContact CA-OE1 3.26Å
237G96.1Very high97.5Very high29 Ų2960.9 Ų60.930%0.29928%0.284SS..SBendtrans74.915.717000000115.2P225P225-G237 WeakPolarHBondContact CD-O 3.31Å; P225-G237 VanDerWaalsContact CG-O 3.28Å; P225-G237 WeakPolarHBondContact CG-O 3.42Å
238N97.4Very high97.6Very high7 Ų754.9 Ų54.94%0.03726%0.264CS..  trans-70.4163.6169.963.168.3000111.9F233 W236 H240 Q241 I242F233-N238 HydrophobicContact CB-CB 4.26Å; F233-N238 WeakPolarHBondContact O-CB 3.34Å; F233-N238 PolarHBondContact O-ND2 3.33Å; W236-N238 VanDerWaalsContact C-N 3.33Å; W236-N238 PolarHBondContact O-N 2.88Å; N238-H240 PolarHBondContact O-N 3.34Å; N238-H240 VanDerWaalsContact O-N 3.12Å; N238-H240 WeakPolarHBondContact OD1-CB 3.5Å; N238-H240 PolarHBondContact OD1-N 2.88Å; N238-H240 VanDerWaalsContact OD1-N 3.16Å; N238-Q241 PolarHBondContact O-N 3.42Å; N238-Q241 VanDerWaalsContact O-N 3.16Å; N238-Q241 PolarHBondContact OD1-N 2.97Å; N238-Q241 VanDerWaalsContact OD1-N 3.08Å; N238-I242 WeakPolarHBondContact O-CG1 3.38Å; N238-I242 PolarHBondContact O-N 2.93Å; N238-I242 VanDerWaalsContact O-N 3.08Å
239S97.9Very high97.6Very high0 Ų046.2 Ų46.20%024%0.237CC..Hα-helixtrans-55.9-33.7-175.579.20000113.9V219 N220 L224 E226 I242 M243V219-S239 WeakPolarHBondContact O-CB 3.15Å; N220-S239 PolarHBondContact OD1-OG 3.03Å; L224-S239 VanDerWaalsContact O-CA 3.26Å; L224-S239 WeakPolarHBondContact O-CA 3.47Å; L224-S239 WeakPolarHBondContact O-CB 3.38Å; E226-S239 WeakPolarHBondContact OE1-CB 3.4Å; E226-S239 PolarHBondContact OE1-OG 3.44Å; E226-S239 WeakPolarHBondContact OE2-CB 3.44Å; E226-S239 PolarHBondContact OE2-N 3.34Å; S239-I242 PolarHBondContact O-N 3.46Å; S239-M243 WeakPolarHBondContact O-CB 3.43Å; S239-M243 PolarHBondContact O-N 3.29Å
240H97.5Very high97.8Very high25 Ų2546.4 Ų46.412%0.11624%0.237CC..Hα-helixtrans-73.1-41.7-177-163.586.7000110.8N51 H100 N238 I242 M243 H244N51-H240 PolarHBondContact OD1-CD2 3.48Å; H100-H240 AromaticContact CE1-CD2 3.67Å; H100-H240 AromaticContact CE1-NE2 3.18Å; H100-H240 PolarHBondContact CE1-NE2 3Å; H100-H240 AromaticContact NE2-CD2 3.78Å; H100-H240 AromaticContact NE2-NE2 3.01Å; H100-H240 PolarHBondContact NE2-NE2 2.88Å; N238-H240 PolarHBondContact O-N 3.34Å; N238-H240 VanDerWaalsContact O-N 3.12Å; N238-H240 WeakPolarHBondContact OD1-CB 3.5Å; N238-H240 PolarHBondContact OD1-N 2.88Å; N238-H240 VanDerWaalsContact OD1-N 3.16Å; H240-I242 VanDerWaalsContact C-N 3.34Å; H240-I242 PolarHBondContact O-N 3.4Å; H240-M243 VanDerWaalsContact CE1-CE 3.49Å; H240-M243 WeakPolarHBondContact CE1-CE 3.25Å; H240-M243 WeakPolarHBondContact O-CB 3.19Å; H240-M243 PolarHBondContact O-N 3.21Å; H240-H244 AromaticContact CD2-CD2 3.77Å; H240-H244 AromaticContact CD2-CE1 3.96Å; H240-H244 AromaticContact CD2-NE2 3.4Å; H240-H244 PolarHBondContact CD2-NE2 3.46Å; H240-H244 AromaticContact CE1-NE2 3.92Å; H240-H244 AromaticContact NE2-CD2 3.67Å; H240-H244 AromaticContact NE2-CE1 3.75Å; H240-H244 AromaticContact NE2-NE2 2.96Å; H240-H244 PolarHBondContact NE2-NE2 3.45Å; H240-H244 PolarHBondContact O-CD2 2.85Å; H240-H244 PolarHBondContact O-N 3.35Å
241Q98.1Very high97.8Very high10 Ų1043.6 Ų43.65%0.04722%0.218CC..Hα-helixtrans-62.7-39.5171.6-68.9-1801.500112.2N51 Y235 W236 N238 H244 L245N51-Q241 WeakPolarHBondContact OD1-CG 3.41Å; N51-Q241 PolarHBondContact OD1-N 3.08Å; Y235-Q241 PolarHBondContact O-NE2 3.42Å; W236-Q241 VanDerWaalsContact CA-OE1 3.26Å; N238-Q241 PolarHBondContact O-N 3.42Å; N238-Q241 VanDerWaalsContact O-N 3.16Å; N238-Q241 PolarHBondContact OD1-N 2.97Å; N238-Q241 VanDerWaalsContact OD1-N 3.08Å; Q241-H244 WeakPolarHBondContact O-CB 3.3Å; Q241-H244 PolarHBondContact O-N 3.09Å; Q241-L245 WeakPolarHBondContact O-CG 3.22Å; Q241-L245 PolarHBondContact O-N 3.28Å
242I98.4Very high98Very high51 Ų5145.8 Ų45.826%0.26222%0.223SC..Hα-helixtrans-64.7-44.3176.1-64.7167.1000110.3V219 N238 S239 H240 H244 L245 L246V219-I242 HydrophobicContact CG1-CB 4.12Å; V219-I242 HydrophobicContact CG1-CD1 4.4Å; V219-I242 HydrophobicContact CG1-CG2 3.92Å; N238-I242 WeakPolarHBondContact O-CG1 3.38Å; N238-I242 PolarHBondContact O-N 2.93Å; N238-I242 VanDerWaalsContact O-N 3.08Å; S239-I242 PolarHBondContact O-N 3.46Å; H240-I242 VanDerWaalsContact C-N 3.34Å; H240-I242 PolarHBondContact O-N 3.4Å; I242-H244 VanDerWaalsContact C-N 3.31Å; I242-H244 PolarHBondContact O-N 3.38Å; I242-L245 PolarHBondContact O-N 2.67Å; I242-L246 HydrophobicContact CG2-CD1 3.92Å; I242-L246 HydrophobicContact CG2-CG 4.33Å; I242-L246 WeakPolarHBondContact O-CG 3.35Å; I242-L246 PolarHBondContact O-N 2.93Å
243M98Very high98Very high42 Ų4237.9 Ų37.921%0.20720%0.195CC..Hα-helixtrans-58.7-42.9174.8179.8-167.97000111.6N220 S239 H240 L246 S247N220-M243 HydrophobicContact CB-CB 4Å; N220-M243 HydrophobicContact CB-CG 4.18Å; N220-M243 HydrophobicContact CB-SD 3.58Å; N220-M243 VanDerWaalsContact CB-SD 3.58Å; N220-M243 PolarHBondContact ND2-SD 2.9Å; S239-M243 WeakPolarHBondContact O-CB 3.43Å; S239-M243 PolarHBondContact O-N 3.29Å; H240-M243 VanDerWaalsContact CE1-CE 3.49Å; H240-M243 WeakPolarHBondContact CE1-CE 3.25Å; H240-M243 WeakPolarHBondContact O-CB 3.19Å; H240-M243 PolarHBondContact O-N 3.21Å; M243-L246 PolarHBondContact O-N 2.89Å; M243-S247 VanDerWaalsContact O-CB 3.31Å; M243-S247 WeakPolarHBondContact O-CB 3.43Å; M243-S247 PolarHBondContact O-N 2.67Å; M243-S247 PolarHBondContact O-OG 2.98Å
244H98.4Very high98.1Very high3 Ų335.3 Ų35.31%0.01418%0.184CC..Hα-helixtrans-55.5-53.2174.7-83.6-151.3000111.5N51 T54 H55 S96 H100 H240 Q241 I242 L246 S247 V248N51-H244 PolarHBondContact O-ND1 2.72Å; N51-H244 VanDerWaalsContact O-ND1 3.15Å; T54-H244 PolarHBondContact OG1-ND1 2.92Å; H55-H244 VanDerWaalsContact CD2-CB 3.44Å; H55-H244 WeakPolarHBondContact CD2-CB 3.19Å; H55-H244 AromaticContact CD2-CE1 3.83Å; H55-H244 AromaticContact CD2-CG 3.3Å; H55-H244 AromaticContact CD2-ND1 3.16Å; H55-H244 PolarHBondContact CD2-ND1 2.7Å; H55-H244 AromaticContact CG-ND1 3.86Å; H55-H244 VanDerWaalsContact NE2-CA 3.33Å; H55-H244 WeakPolarHBondContact NE2-CA 3.23Å; H55-H244 VanDerWaalsContact NE2-CB 3.35Å; H55-H244 WeakPolarHBondContact NE2-CB 3.27Å; H55-H244 AromaticContact NE2-CD2 3.61Å; H55-H244 AromaticContact NE2-CG 3.23Å; H55-H244 AromaticContact NE2-ND1 3.56Å; S96-H244 PolarHBondContact OG-CE1 2.78Å; S96-H244 PolarHBondContact OG-NE2 3Å; H100-H244 AromaticContact CD2-CE1 3.56Å; H100-H244 AromaticContact NE2-CE1 3.38Å; H100-H244 PolarHBondContact NE2-CE1 2.93Å; H100-H244 AromaticContact NE2-NE2 3.47Å; H100-H244 PolarHBondContact NE2-NE2 2.72Å; H240-H244 AromaticContact CD2-CD2 3.77Å; H240-H244 AromaticContact CD2-CE1 3.96Å; H240-H244 AromaticContact CD2-NE2 3.4Å; H240-H244 PolarHBondContact CD2-NE2 3.46Å; H240-H244 AromaticContact CE1-NE2 3.92Å; H240-H244 AromaticContact NE2-CD2 3.67Å; H240-H244 AromaticContact NE2-CE1 3.75Å; H240-H244 AromaticContact NE2-NE2 2.96Å; H240-H244 PolarHBondContact NE2-NE2 3.45Å; H240-H244 PolarHBondContact O-CD2 2.85Å; H240-H244 PolarHBondContact O-N 3.35Å; Q241-H244 WeakPolarHBondContact O-CB 3.3Å; Q241-H244 PolarHBondContact O-N 3.09Å; I242-H244 VanDerWaalsContact C-N 3.31Å; I242-H244 PolarHBondContact O-N 3.38Å; H244-L246 PolarHBondContact O-N 3.25Å; H244-S247 PolarHBondContact O-N 2.87Å; H244-S247 VanDerWaalsContact O-N 3.14Å; H244-S247 PolarHBondContact O-OG 3.38Å; H244-V248 WeakPolarHBondContact O-CG2 3.2Å; H244-V248 PolarHBondContact O-N 3.17Å
245L98.6Very high98.1Very high105 Ų10535.8 Ų35.855%0.5519%0.186SC..Hα-helixtrans-58.2-45.8178.6-70.3173.3000112.7T54 Q241 I242 S247 V248 G249T54-L245 HydrophobicContact CG2-CD2 3.68Å; T54-L245 HydrophobicContact CG2-CG 4.02Å; Q241-L245 WeakPolarHBondContact O-CG 3.22Å; Q241-L245 PolarHBondContact O-N 3.28Å; I242-L245 PolarHBondContact O-N 2.67Å; L245-S247 VanDerWaalsContact C-N 3.32Å; L245-S247 PolarHBondContact O-N 2.92Å; L245-V248 PolarHBondContact O-N 3.4Å; L245-G249 PolarHBondContact O-N 3.47Å
246L98.7Very high98.2Very high34 Ų3434.7 Ų34.718%0.17819%0.191CC..Hα-helixtrans-66.2-34.9177.9-67.3175.8000111.9L212 L215 I242 M243 H244 G249 S250L212-L246 HydrophobicContact CD2-CD2 3.77Å; L215-L246 HydrophobicContact CB-CD1 4.3Å; L215-L246 HydrophobicContact CD2-CD1 4.08Å; L215-L246 HydrophobicContact CG-CD1 3.88Å; I242-L246 HydrophobicContact CG2-CD1 3.92Å; I242-L246 HydrophobicContact CG2-CG 4.33Å; I242-L246 WeakPolarHBondContact O-CG 3.35Å; I242-L246 PolarHBondContact O-N 2.93Å; M243-L246 PolarHBondContact O-N 2.89Å; H244-L246 PolarHBondContact O-N 3.25Å; L246-G249 PolarHBondContact O-N 3.34Å; L246-S250 WeakPolarHBondContact O-CB 3.33Å; L246-S250 PolarHBondContact O-N 3.43Å
247S98.4Very high98.2Very high32 Ų3227.9 Ų27.922%0.22417%0.166CC..Hα-helixtrans-67.9-38.7175.780.20000112.4H55 M243 H244 L245 S250 I251H55-S247 PolarHBondContact CE1-OG 3.34Å; H55-S247 PolarHBondContact NE2-OG 2.83Å; M243-S247 VanDerWaalsContact O-CB 3.31Å; M243-S247 WeakPolarHBondContact O-CB 3.43Å; M243-S247 PolarHBondContact O-N 2.67Å; M243-S247 PolarHBondContact O-OG 2.98Å; H244-S247 PolarHBondContact O-N 2.87Å; H244-S247 VanDerWaalsContact O-N 3.14Å; H244-S247 PolarHBondContact O-OG 3.38Å; L245-S247 VanDerWaalsContact C-N 3.32Å; L245-S247 PolarHBondContact O-N 2.92Å; S247-S250 WeakPolarHBondContact O-CB 3.29Å; S247-S250 PolarHBondContact O-N 3.44Å; S247-I251 WeakPolarHBondContact O-CG1 3.47Å; S247-I251 PolarHBondContact O-N 3.33Å
248V98.7Very high98.3Very high23 Ų2326.5 Ų26.514%0.13915%0.151CC..Hα-helixtrans-63.3-44.7172.7172.50000110.6A58 F62 H244 L245 S250 I251 L252A58-V248 HydrophobicContact CB-CB 4.27Å; A58-V248 HydrophobicContact CB-CG1 3.69Å; A58-V248 HydrophobicContact CB-CG2 3.5Å; A58-V248 VanDerWaalsContact CB-CG2 3.5Å; F62-V248 HydrophobicContact CZ-CG1 4.15Å; H244-V248 WeakPolarHBondContact O-CG2 3.2Å; H244-V248 PolarHBondContact O-N 3.17Å; L245-V248 PolarHBondContact O-N 3.4Å; V248-S250 VanDerWaalsContact C-N 3.29Å; V248-S250 PolarHBondContact O-N 2.89Å; V248-I251 PolarHBondContact O-N 3.13Å; V248-L252 HydrophobicContact CG1-CD1 4.32Å; V248-L252 PolarHBondContact O-N 3.46Å
249G98.8Very high98.3Very high21 Ų2127.1 Ų27.122%0.21616%0.156CC..Hα-helixtrans-58.4-40.6172.600000112.7L245 L246 L252 Q253L245-G249 PolarHBondContact O-N 3.47Å; L246-G249 PolarHBondContact O-N 3.34Å; G249-L252 WeakPolarHBondContact O-CB 3.42Å; G249-L252 PolarHBondContact O-N 3.42Å; G249-Q253 WeakPolarHBondContact O-CG 3.42Å; G249-Q253 PolarHBondContact O-N 3.31Å
250S98.8Very high98.3Very high13 Ų1329.5 Ų29.59%0.09117%0.171CC..Hα-helixtrans-61.5-46.3175.4-176.40000111.7M209 L246 S247 V248 L252 Q253 L254M209-S250 WeakPolarHBondContact CG-O 3.45Å; M209-S250 WeakPolarHBondContact CG-OG 3.39Å; M209-S250 WeakPolarHBondContact O-CB 3.39Å; M209-S250 PolarHBondContact O-OG 2.89Å; L246-S250 WeakPolarHBondContact O-CB 3.33Å; L246-S250 PolarHBondContact O-N 3.43Å; S247-S250 WeakPolarHBondContact O-CB 3.29Å; S247-S250 PolarHBondContact O-N 3.44Å; V248-S250 VanDerWaalsContact C-N 3.29Å; V248-S250 PolarHBondContact O-N 2.89Å; S250-L252 VanDerWaalsContact C-N 3.34Å; S250-L252 PolarHBondContact O-N 3.16Å; S250-Q253 PolarHBondContact O-N 3.24Å; S250-L254 PolarHBondContact O-N 2.93Å
251I98.8Very high98.2Very high7 Ų728.3 Ų28.34%0.03617%0.165CC..Hα-helixtrans-64-38.2177-64.3165.1000111.4F62 C89 P92 V126 S247 V248 L254 H255F62-I251 HydrophobicContact CD2-CG2 4.2Å; F62-I251 HydrophobicContact CE1-CG2 4.18Å; F62-I251 HydrophobicContact CE2-CB 3.96Å; F62-I251 HydrophobicContact CE2-CD1 4.22Å; F62-I251 HydrophobicContact CE2-CG2 3.51Å; F62-I251 HydrophobicContact CZ-CB 3.84Å; F62-I251 HydrophobicContact CZ-CG2 3.5Å; C89-I251 HydrophobicContact CB-CG2 3.86Å; P92-I251 HydrophobicContact CB-CD1 4.24Å; P92-I251 HydrophobicContact CG-CD1 4.13Å; V126-I251 HydrophobicContact CG2-CG1 4.28Å; S247-I251 WeakPolarHBondContact O-CG1 3.47Å; S247-I251 PolarHBondContact O-N 3.33Å; V248-I251 PolarHBondContact O-N 3.13Å; I251-L254 WeakPolarHBondContact O-CB 3.47Å; I251-L254 PolarHBondContact O-N 3.07Å; I251-H255 WeakPolarHBondContact O-CB 3.34Å; I251-H255 PolarHBondContact O-N 2.77Å
252L98.7Very high98.1Very high74 Ų7428 Ų2839%0.38716%0.164SC..Hα-helixtrans-61.2-43.6173.3-78.1165.1000111.8F62 L65 V248 G249 S250 H255 A256F62-L252 HydrophobicContact CE1-CD2 3.64Å; F62-L252 HydrophobicContact CE1-CG 3.84Å; F62-L252 HydrophobicContact CZ-CD2 4.32Å; F62-L252 HydrophobicContact CZ-CG 4Å; L65-L252 HydrophobicContact CD2-CD2 3.94Å; V248-L252 HydrophobicContact CG1-CD1 4.32Å; V248-L252 PolarHBondContact O-N 3.46Å; G249-L252 WeakPolarHBondContact O-CB 3.42Å; G249-L252 PolarHBondContact O-N 3.42Å; S250-L252 VanDerWaalsContact C-N 3.34Å; S250-L252 PolarHBondContact O-N 3.16Å; L252-H255 PolarHBondContact O-N 3.34Å; L252-A256 VanDerWaalsContact O-CB 3.31Å; L252-A256 WeakPolarHBondContact O-CB 3.49Å; L252-A256 PolarHBondContact O-N 3.29Å
253Q98.6Very high98Very high47 Ų4728.2 Ų28.222%0.2217%0.166CC..Hα-helixtrans-67.7-37.7176.2-68.1-59.8-55.400112.3C205 R208 M209 L212 G249 S250 A256 G257C205-Q253 WeakPolarHBondContact CB-O 3.48Å; C205-Q253 WeakPolarHBondContact O-CB 3.41Å; R208-Q253 HydrophobicContact CB-CG 3.96Å; M209-Q253 HydrophobicContact CB-CB 3.94Å; L212-Q253 HydrophobicContact CD1-CG 3.98Å; G249-Q253 WeakPolarHBondContact O-CG 3.42Å; G249-Q253 PolarHBondContact O-N 3.31Å; S250-Q253 PolarHBondContact O-N 3.24Å; Q253-A256 PolarHBondContact O-N 2.84Å; Q253-G257 PolarHBondContact O-N 3.09Å
254L98.6Very high97.8Very high4 Ų428.8 Ų28.82%0.02117%0.165CC..Hα-helixtrans-56.2-52.7170.8172.962000110.1V126 G130 I134 M209 S250 I251 A256 G257 V258V126-L254 HydrophobicContact CG2-CD2 4.07Å; G130-L254 WeakPolarHBondContact O-CD1 3.49Å; I134-L254 HydrophobicContact CD1-CD1 4.15Å; M209-L254 HydrophobicContact CG-CB 4.03Å; M209-L254 HydrophobicContact SD-CB 3.61Å; M209-L254 HydrophobicContact SD-CD1 3.57Å; M209-L254 VanDerWaalsContact SD-CD1 3.57Å; M209-L254 HydrophobicContact SD-CG 4.07Å; S250-L254 PolarHBondContact O-N 2.93Å; I251-L254 WeakPolarHBondContact O-CB 3.47Å; I251-L254 PolarHBondContact O-N 3.07Å; L254-A256 PolarHBondContact O-N 3.12Å; L254-G257 PolarHBondContact O-N 2.94Å; L254-V258 HydrophobicContact CD1-CG2 3.73Å; L254-V258 HydrophobicContact CG-CG2 4.36Å; L254-V258 WeakPolarHBondContact O-CB 3.46Å; L254-V258 VanDerWaalsContact O-CG2 3.3Å; L254-V258 WeakPolarHBondContact O-CG2 3.46Å; L254-V258 PolarHBondContact O-N 3.03Å
255H98.4Very high97.6Very high13 Ų1329.7 Ų29.76%0.0617%0.173CC..Hα-helixtrans-62.1-43.5-179.6-177.882000112.6T69 H85 I251 L252 G257 V258 V259T69-H255 PolarHBondContact OG1-CE1 3.4Å; T69-H255 PolarHBondContact OG1-NE2 3.5Å; H85-H255 AromaticContact CD2-ND1 3.9Å; H85-H255 AromaticContact NE2-CG 3.85Å; H85-H255 AromaticContact NE2-ND1 3.13Å; H85-H255 PolarHBondContact NE2-ND1 3.3Å; H85-H255 VanDerWaalsContact NE2-ND1 3.13Å; I251-H255 WeakPolarHBondContact O-CB 3.34Å; I251-H255 PolarHBondContact O-N 2.77Å; L252-H255 PolarHBondContact O-N 3.34Å; H255-G257 VanDerWaalsContact C-N 3.25Å; H255-G257 PolarHBondContact O-N 2.9Å; H255-V258 PolarHBondContact O-N 2.83Å; H255-V259 PolarHBondContact O-N 3.45Å; H255-V259 VanDerWaalsContact O-N 3.13Å
256A98.2Very high97.2Very high45 Ų4526.7 Ų26.737%0.37216%0.164SC..Hα-helixtrans-62.8-28.7177.400000113.5L252 Q253 L254 P260L252-A256 VanDerWaalsContact O-CB 3.31Å; L252-A256 WeakPolarHBondContact O-CB 3.49Å; L252-A256 PolarHBondContact O-N 3.29Å; Q253-A256 PolarHBondContact O-N 2.84Å; L254-A256 PolarHBondContact O-N 3.12Å; A256-P260 WeakPolarHBondContact O-CD 3.33Å; A256-P260 WeakPolarHBondContact O-CG 3.45Å
257G98Very high96.8Very high0 Ų031.7 Ų31.70%019%0.186CC..Hα-helixtrans-82.9-42.4173.400000113.5S202 Y206 Q253 L254 H255 P260 D261S202-G257 WeakPolarHBondContact CB-O 3.49Å; Y206-G257 PolarHBondContact OH-O 3.5Å; Y206-G257 VanDerWaalsContact OH-O 3.13Å; Q253-G257 PolarHBondContact O-N 3.09Å; L254-G257 PolarHBondContact O-N 2.94Å; H255-G257 VanDerWaalsContact C-N 3.25Å; H255-G257 PolarHBondContact O-N 2.9Å; G257-P260 WeakPolarHBondContact O-CD 3.15Å; G257-D261 WeakPolarHBondContact O-CB 3.36Å; G257-D261 PolarHBondContact O-N 3.01Å
258V97.9Very high96.4Very high0 Ų033.8 Ų33.80%019%0.192CC..Hα-helixtrans-67.5-40.9-174.4167.40000112.4H85 P133 Y206 L254 H255 D261 L262H85-V258 HydrophobicContact CB-CG1 4.5Å; P133-V258 HydrophobicContact CB-CG1 3.78Å; P133-V258 HydrophobicContact CB-CG2 4.03Å; P133-V258 HydrophobicContact CG-CG1 4.02Å; P133-V258 HydrophobicContact CG-CG2 4.35Å; Y206-V258 HydrophobicContact CE1-CG2 4.07Å; Y206-V258 WeakPolarHBondContact OH-CA 3.46Å; Y206-V258 PolarHBondContact OH-N 3.26Å; L254-V258 HydrophobicContact CD1-CG2 3.73Å; L254-V258 HydrophobicContact CG-CG2 4.36Å; L254-V258 WeakPolarHBondContact O-CB 3.46Å; L254-V258 VanDerWaalsContact O-CG2 3.3Å; L254-V258 WeakPolarHBondContact O-CG2 3.46Å; L254-V258 PolarHBondContact O-N 3.03Å; H255-V258 PolarHBondContact O-N 2.83Å; V258-D261 PolarHBondContact O-N 3.43Å; V258-L262 HydrophobicContact CG1-CD1 3.58Å; V258-L262 HydrophobicContact CG1-CG 3.94Å; V258-L262 WeakPolarHBondContact O-CG 3.46Å; V258-L262 PolarHBondContact O-N 3.08Å
259V97.5Very high95.8Very high21 Ų2136.7 Ų36.713%0.12722%0.219CC..Hα-helixtrans-59.8-52.6-177.9166.70000111.8M70 H255 D261 L262 L263M70-V259 HydrophobicContact SD-CG2 3.78Å; H255-V259 PolarHBondContact O-N 3.45Å; H255-V259 VanDerWaalsContact O-N 3.13Å; V259-D261 VanDerWaalsContact C-N 3.31Å; V259-D261 PolarHBondContact O-N 3.13Å; V259-L262 PolarHBondContact O-N 2.93Å; V259-L263 HydrophobicContact CG1-CD1 4.24Å; V259-L263 WeakPolarHBondContact O-CG 3Å; V259-L263 PolarHBondContact O-N 3.25Å; V259-L263 VanDerWaalsContact O-N 3.08Å
260P96.7Very high95.3Very high50 Ų5038.1 Ų38.133%0.32523%0.225SC..Hα-helixtrans-60.5-36.7173.1-25.134.4000113.8A199 A256 G257 L263 W264A199-P260 HydrophobicContact CB-CB 3.88Å; A256-P260 WeakPolarHBondContact O-CD 3.33Å; A256-P260 WeakPolarHBondContact O-CG 3.45Å; G257-P260 WeakPolarHBondContact O-CD 3.15Å; P260-L263 PolarHBondContact O-N 3.09Å; P260-W264 VanDerWaalsContact O-CB 3.25Å; P260-W264 WeakPolarHBondContact O-CB 3.38Å; P260-W264 PolarHBondContact O-N 2.91Å
261D96.4Very high94.6Very high0 Ų042.2 Ų42.20%025%0.251CS..Hα-helixtrans-66.4-41.4-179.9-102.33000112.9C137 R191 A199 S202 Y206 G257 V258 V259 W264 A265C137-D261 HydrophobicContact CB-CB 4.21Å; C137-D261 PolarHBondContact SG-O 3.35Å; C137-D261 VanDerWaalsContact SG-O 3.4Å; R191-D261 IonicContact CZ-OD1 3.72Å; R191-D261 IonicContact CZ-OD2 3.24Å; R191-D261 VanDerWaalsContact CZ-OD2 3.24Å; R191-D261 IonicContact NH1-OD1 3.35Å; R191-D261 PolarHBondContact NH1-OD1 3Å; R191-D261 IonicContact NH1-OD2 2.79Å; R191-D261 PolarHBondContact NH1-OD2 3.2Å; R191-D261 VanDerWaalsContact NH2-CG 3.3Å; R191-D261 IonicContact NH2-OD1 3.25Å; R191-D261 PolarHBondContact NH2-OD1 2.85Å; R191-D261 IonicContact NH2-OD2 2.8Å; R191-D261 PolarHBondContact NH2-OD2 3.45Å; A199-D261 WeakPolarHBondContact CB-OD1 3.17Å; A199-D261 PolarHBondContact N-OD1 2.72Å; S202-D261 VanDerWaalsContact CB-OD1 3.26Å; S202-D261 WeakPolarHBondContact CB-OD1 3.28Å; S202-D261 PolarHBondContact OG-OD1 3.06Å; S202-D261 PolarHBondContact OG-OD2 2.93Å; Y206-D261 VanDerWaalsContact CE2-OD2 3.24Å; Y206-D261 WeakPolarHBondContact CE2-OD2 3.41Å; Y206-D261 VanDerWaalsContact OH-CG 3.28Å; Y206-D261 PolarHBondContact OH-OD2 3.04Å; G257-D261 WeakPolarHBondContact O-CB 3.36Å; G257-D261 PolarHBondContact O-N 3.01Å; V258-D261 PolarHBondContact O-N 3.43Å; V259-D261 VanDerWaalsContact C-N 3.31Å; V259-D261 PolarHBondContact O-N 3.13Å; D261-W264 PolarHBondContact O-N 3.43Å; D261-A265 WeakPolarHBondContact O-CB 3.37Å; D261-A265 PolarHBondContact O-N 3.45Å
262L96Very high93.4Very high4 Ų453.6 Ų53.62%0.02129%0.294CS..Hα-helixtrans-70-39.3176.7-70.9178.3000111.5M70 P71 L75 L81 P133 V258 V259 A265 A266M70-L262 HydrophobicContact CE-CD1 3.59Å; M70-L262 HydrophobicContact SD-CD1 4.38Å; P71-L262 HydrophobicContact CG-CB 4.3Å; L75-L262 HydrophobicContact CD2-CB 3.85Å; L75-L262 HydrophobicContact CD2-CD1 4.17Å; L75-L262 HydrophobicContact CD2-CD2 4.49Å; L75-L262 HydrophobicContact CD2-CG 4.41Å; L81-L262 HydrophobicContact CB-CD2 4.02Å; L81-L262 HydrophobicContact CD1-CD2 3.75Å; P133-L262 HydrophobicContact CB-CD2 4.2Å; V258-L262 HydrophobicContact CG1-CD1 3.58Å; V258-L262 HydrophobicContact CG1-CG 3.94Å; V258-L262 WeakPolarHBondContact O-CG 3.46Å; V258-L262 PolarHBondContact O-N 3.08Å; V259-L262 PolarHBondContact O-N 2.93Å; L262-A265 PolarHBondContact O-N 2.05Å; L262-A266 PolarHBondContact O-N 3.01Å
263L94.9Very high91.5Very high55 Ų5561.1 Ų61.129%0.28833%0.334SS..Hα-helixtrans-59.4-47.4170.7-79.2171.1000111.3P71 V259 P260 A265 A266 H267P71-L263 HydrophobicContact CB-CD1 4.5Å; P71-L263 HydrophobicContact CB-CD2 3.31Å; P71-L263 HydrophobicContact CB-CG 3.71Å; P71-L263 HydrophobicContact CG-CD2 4.02Å; P71-L263 HydrophobicContact CG-CG 3.91Å; V259-L263 HydrophobicContact CG1-CD1 4.24Å; V259-L263 WeakPolarHBondContact O-CG 3Å; V259-L263 PolarHBondContact O-N 3.25Å; V259-L263 VanDerWaalsContact O-N 3.08Å; P260-L263 PolarHBondContact O-N 3.09Å; L263-A265 VanDerWaalsContact C-N 3.33Å; L263-A265 PolarHBondContact O-N 3.4Å; L263-A266 PolarHBondContact O-N 3.22Å; L263-H267 PolarHBondContact O-CD2 3.46Å; L263-H267 PolarHBondContact O-N 3.39Å
264W95.2Very high91.1Very high53 Ų5361.9 Ų61.920%0.20134%0.34CS..Hα-helixtrans-58.5-46.3176.5172.690.3000111.1A140 S197 G198 A199 P260 D261 A266 H267 H268A140-W264 HydrophobicContact CB-CH2 4.21Å; A140-W264 HydrophobicContact CB-CZ3 4.06Å; S197-W264 WeakPolarHBondContact OG-CH2 3.01Å; G198-W264 PolarHBondContact O-NE1 3.37Å; A199-W264 HydrophobicContact CB-CB 3.97Å; A199-W264 HydrophobicContact CB-CG 4.38Å; P260-W264 VanDerWaalsContact O-CB 3.25Å; P260-W264 WeakPolarHBondContact O-CB 3.38Å; P260-W264 PolarHBondContact O-N 2.91Å; D261-W264 PolarHBondContact O-N 3.43Å; W264-A266 VanDerWaalsContact C-N 3.29Å; W264-A266 PolarHBondContact O-N 3.24Å; W264-H267 PolarHBondContact O-N 3.45Å; W264-H268 HydrophobicContact CD2-CB 4.07Å; W264-H268 AromaticContact CE2-CG 3.62Å; W264-H268 AromaticContact CE2-ND1 3.76Å; W264-H268 HydrophobicContact CE3-CB 4.38Å; W264-H268 HydrophobicContact CH2-CB 3.96Å; W264-H268 AromaticContact CH2-CD2 3.3Å; W264-H268 WeakPolarHBondContact CH2-CD2 3.36Å; W264-H268 AromaticContact CH2-CG 3.59Å; W264-H268 AromaticContact CH2-NE2 3.86Å; W264-H268 HydrophobicContact CZ2-CB 3.74Å; W264-H268 AromaticContact CZ2-CD2 3.25Å; W264-H268 WeakPolarHBondContact CZ2-CD2 3.06Å; W264-H268 AromaticContact CZ2-CE1 3.63Å; W264-H268 AromaticContact CZ2-CG 3.18Å; W264-H268 AromaticContact CZ2-ND1 3.43Å; W264-H268 WeakPolarHBondContact CZ2-ND1 3.3Å; W264-H268 AromaticContact CZ2-NE2 3.52Å; W264-H268 HydrophobicContact CZ3-CB 4.32Å; W264-H268 AromaticContact NE1-ND1 3.84Å; W264-H268 WeakPolarHBondContact O-CB 3.19Å; W264-H268 PolarHBondContact O-N 3Å
265A92.9Very high90.7Very high22 Ų2264.9 Ų64.918%0.18236%0.357CS..Hα-helixtrans-64.9-31.8-17900000113.1D261 L262 L263 H267D261-A265 WeakPolarHBondContact O-CB 3.37Å; D261-A265 PolarHBondContact O-N 3.45Å; L262-A265 PolarHBondContact O-N 2.05Å; L263-A265 VanDerWaalsContact C-N 3.33Å; L263-A265 PolarHBondContact O-N 3.4Å; A265-H267 VanDerWaalsContact C-N 3.32Å; A265-H267 PolarHBondContact O-N 3.34Å
266A91.5Very high90.3Very high43 Ų4367.8 Ų67.836%0.35537%0.373SS..Hα-helixtrans-66.8-31.3176.800000113.2Q74 L262 L263 W264Q74-A266 HydrophobicContact CB-CB 4.39Å; Q74-A266 VanDerWaalsContact O-CB 3.31Å; Q74-A266 WeakPolarHBondContact O-CB 3.39Å; L262-A266 PolarHBondContact O-N 3.01Å; L263-A266 PolarHBondContact O-N 3.22Å; W264-A266 VanDerWaalsContact C-N 3.29Å; W264-A266 PolarHBondContact O-N 3.24Å
267H89.9Confident89.9Confident139 Ų13969.1 Ų69.164%0.64437%0.373SS*.Hα-helixtrans-105.6-12.5-176.5-63.8-65.3000114Q74 L263 W264 A265 A269Q74-H267 PolarHBondContact OE1-NE2 2.98Å; L263-H267 PolarHBondContact O-CD2 3.46Å; L263-H267 PolarHBondContact O-N 3.39Å; W264-H267 PolarHBondContact O-N 3.45Å; A265-H267 VanDerWaalsContact C-N 3.32Å; A265-H267 PolarHBondContact O-N 3.34Å; H267-A269 PolarHBondContact O-N 3.34Å
268H89.3Confident89.3Confident75 Ų7573.4 Ų73.435%0.34740%0.397SS..PPolyproline II helixtrans-81.6121.7-175.6-17373.5000112.1W264W264-H268 HydrophobicContact CD2-CB 4.07Å; W264-H268 AromaticContact CE2-CG 3.62Å; W264-H268 AromaticContact CE2-ND1 3.76Å; W264-H268 HydrophobicContact CE3-CB 4.38Å; W264-H268 HydrophobicContact CH2-CB 3.96Å; W264-H268 AromaticContact CH2-CD2 3.3Å; W264-H268 WeakPolarHBondContact CH2-CD2 3.36Å; W264-H268 AromaticContact CH2-CG 3.59Å; W264-H268 AromaticContact CH2-NE2 3.86Å; W264-H268 HydrophobicContact CZ2-CB 3.74Å; W264-H268 AromaticContact CZ2-CD2 3.25Å; W264-H268 WeakPolarHBondContact CZ2-CD2 3.06Å; W264-H268 AromaticContact CZ2-CE1 3.63Å; W264-H268 AromaticContact CZ2-CG 3.18Å; W264-H268 AromaticContact CZ2-ND1 3.43Å; W264-H268 WeakPolarHBondContact CZ2-ND1 3.3Å; W264-H268 AromaticContact CZ2-NE2 3.52Å; W264-H268 HydrophobicContact CZ3-CB 4.32Å; W264-H268 AromaticContact NE1-ND1 3.84Å; W264-H268 WeakPolarHBondContact O-CB 3.19Å; W264-H268 PolarHBondContact O-N 3Å
269A87.1Confident88.8Confident85 Ų8578.3 Ų78.370%0.70242%0.423SS*.PPolyproline II helixtrans-93122.5168.200000109.6H267H267-A269 PolarHBondContact O-N 3.34Å
270C88.7Confident88.1Confident50 Ų5082.4 Ų82.434%0.33844%0.444SS..PPolyproline II helixtrans-64.9144.1172.8-68.70000110.5C141 R272C141-C270 WeakPolarHBondContact CA-SG 3.41Å; C141-C270 HydrophobicContact CB-CB 3.68Å; C141-C270 WeakPolarHBondContact CB-SG 3.29Å; C141-C270 VanDerWaalsContact SG-CA 3.52Å; C141-C270 WeakPolarHBondContact SG-CB 3.35Å; C141-C270 CovalentContact SG-SG 2.05Å; C141-C270 PolarHBondContact SG-SG 3.43Å; C270-R272 PolarHBondContact O-N 2.87Å
271P84Confident87.5Confident100 Ų10084.9 Ų84.965%0.64945%0.454SS*.PPolyproline II helixtrans-52.1140.6171.3-21.731.7000110D273P271-D273 PolarHBondContact O-N 2.84Å
272R73.1Confident86.7Confident246 Ų24692 Ų9293%0.92849%0.491SS*.PPolyproline II helixtrans-73.9120.3166.4-67.2-177.4179.4178.3-0.3106.2C270C270-R272 PolarHBondContact O-N 2.87Å
273D58.3Low85.9Confident232 Ų232100 Ų100100%1.24153%0.534SS*.  trans-56.10168.4-68.3-32.2000110.6P271P271-D273 PolarHBondContact O-N 2.84Å

Retrieved 273 of 273 residues in 240.4 ms (Link to these results)

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