A0A3Q0KLZ3_SCHMA Loading...

Fatty acid desaturase, putative

AlphaFold DB , UniProt , Accession A0A3Q0KLZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 444 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
1M42.9Very low84.1Confident233 Ų23374.7 Ų74.7100%1.14843%0.427SS*.  0131.50-71.5-169.7-87.500107.1K3M1-K3 PolarHBondContact O-N 3.14Å; M1-K3 VanDerWaalsContact O-N 3.16Å
2A50Low85.1Confident105 Ų10575.8 Ų75.887%0.86842%0.423SS*.PPolyproline II helixtrans-53.9123169.400000107.1G4A2-G4 PolarHBondContact O-N 3.3Å
3K74.4Confident86Confident144 Ų14482.1 Ų82.163%0.62644%0.443SS*.PPolyproline II helixtrans-66.5127.5179.7-65.1175.5164.9-157.10107.2M1 Y75M1-K3 PolarHBondContact O-N 3.14Å; M1-K3 VanDerWaalsContact O-N 3.16Å; K3-Y75 HydrophobicContact CB-CE1 4.49Å; K3-Y75 HydrophobicContact CD-CE1 3.71Å; K3-Y75 WeakPolarHBondContact CD-OH 3.25Å; K3-Y75 HydrophobicContact CG-CE1 3.91Å
4G88.7Confident86.8Confident23 Ų2378.4 Ų78.424%0.23742%0.422CS..EExtended strand (participates in β ladder)trans-67.6152179.900000111.4A2 I76 G77 D78A2-G4 PolarHBondContact O-N 3.3Å; G4-I76 PolarHBondContact N-O 3.39Å; G4-G77 CarbonylContact O-C 3.51Å; G4-G77 WeakPolarHBondContact O-CA 3.24Å; G4-D78 PolarHBondContact O-N 3.4Å
5L94.6Very high87.3Confident117 Ų11779.5 Ų79.561%0.61342%0.423SS*.EExtended strand (participates in β ladder)trans-110.9121164.8-17468.6000106.7D78 D80L5-D78 WeakPolarHBondContact CA-O 3.18Å; L5-D78 HydrophobicContact CD1-CB 4.47Å; L5-D80 HydrophobicContact CD1-CB 4.04Å; L5-D80 HydrophobicContact CD2-CB 4.28Å; L5-D80 HydrophobicContact CG-CB 3.9Å
6F96.3Very high87.7Confident23 Ų2378.3 Ų78.310%0.10142%0.423CS..EExtended strand (participates in β ladder)trans-122142-169.5-58.3-73.1000111.2E10 V11 W21 V28 I76 D78 L79 D80F6-E10 VanDerWaalsContact CD1-CD 3.45Å; F6-E10 HydrophobicContact CD1-CG 4.3Å; F6-E10 WeakPolarHBondContact CD1-OE1 3.11Å; F6-E10 WeakPolarHBondContact CD1-OE2 3.36Å; F6-E10 WeakPolarHBondContact CE1-OE1 3.42Å; F6-V11 HydrophobicContact CB-CG2 4.2Å; F6-W21 HydrophobicContact CD1-CH2 4.22Å; F6-W21 AromaticContact CD1-CZ3 3.78Å; F6-W21 HydrophobicContact CD1-CZ3 3.78Å; F6-W21 AromaticContact CE1-CH2 3.75Å; F6-W21 HydrophobicContact CE1-CH2 3.75Å; F6-W21 AromaticContact CE1-CZ3 3.76Å; F6-W21 HydrophobicContact CE1-CZ3 3.76Å; F6-W21 HydrophobicContact CG-CZ3 4.27Å; F6-W21 HydrophobicContact CZ-CH2 4.16Å; F6-W21 HydrophobicContact CZ-CZ3 4.24Å; F6-V28 HydrophobicContact CB-CG2 4.1Å; F6-V28 HydrophobicContact CD2-CB 3.91Å; F6-V28 HydrophobicContact CD2-CG1 4.29Å; F6-V28 HydrophobicContact CD2-CG2 3.72Å; F6-V28 HydrophobicContact CE2-CB 4.37Å; F6-V28 HydrophobicContact CG-CG2 4.29Å; F6-I76 HydrophobicContact CE2-CB 4.42Å; F6-I76 HydrophobicContact CE2-CD1 3.99Å; F6-I76 HydrophobicContact CE2-CG1 3.88Å; F6-I76 HydrophobicContact CZ-CD1 3.98Å; F6-I76 HydrophobicContact CZ-CG1 4.25Å; F6-D78 PolarHBondContact N-O 3.46Å; F6-L79 CarbonylContact O-C 3.55Å; F6-L79 WeakPolarHBondContact O-CA 3.31Å; F6-L79 WeakPolarHBondContact O-CD1 3.5Å; F6-D80 WeakPolarHBondContact O-CB 3.43Å; F6-D80 PolarHBondContact O-N 3.38Å
7N95.4Very high87.8Confident60 Ų6081.1 Ų81.132%0.32144%0.437SS..  trans-99.3173.4168.365.330.8000111.6G9 E10 V11 C83N7-G9 VanDerWaalsContact C-N 3.26Å; N7-G9 PolarHBondContact O-N 2.92Å; N7-G9 WeakPolarHBondContact OD1-CA 3.36Å; N7-G9 PolarHBondContact OD1-N 3.42Å; N7-G9 VanDerWaalsContact OD1-N 3.12Å; N7-E10 PolarHBondContact O-N 2.96Å; N7-E10 PolarHBondContact OD1-N 3.32Å; N7-V11 WeakPolarHBondContact O-CG2 3.26Å; N7-V11 PolarHBondContact O-N 2.91Å; N7-V11 VanDerWaalsContact O-N 3.1Å; N7-C83 HydrophobicContact CB-CB 4.2Å
8W95.4Very high88.1Confident5 Ų587.2 Ų87.22%0.01946%0.459CS..Hα-helixtrans-68-27.4-179.9-73.697.3000113.2E10 V11 K12 V23 Q51 D52 L79 D86 M89 N90 I93W8-E10 PolarHBondContact O-N 3Å; W8-V11 HydrophobicContact CE3-CB 4.22Å; W8-V11 HydrophobicContact CE3-CG1 4.01Å; W8-V11 HydrophobicContact CZ3-CG1 3.95Å; W8-V11 PolarHBondContact O-N 2.87Å; W8-K12 HydrophobicContact CB-CD 4.46Å; W8-K12 WeakPolarHBondContact O-CB 3.35Å; W8-K12 WeakPolarHBondContact O-CD 3.47Å; W8-K12 WeakPolarHBondContact O-CG 3.46Å; W8-K12 PolarHBondContact O-N 3.5Å; W8-V23 HydrophobicContact CH2-CB 3.71Å; W8-V23 HydrophobicContact CH2-CG1 4.24Å; W8-V23 HydrophobicContact CH2-CG2 3.55Å; W8-V23 HydrophobicContact CZ2-CB 4.44Å; W8-V23 HydrophobicContact CZ2-CG2 4.3Å; W8-V23 HydrophobicContact CZ3-CB 4.3Å; W8-V23 HydrophobicContact CZ3-CG2 3.71Å; W8-Q51 VanDerWaalsContact CZ3-C 3.5Å; W8-D52 HydrophobicContact CH2-CB 3.72Å; W8-D52 HydrophobicContact CZ2-CB 4.16Å; W8-L79 HydrophobicContact CD2-CD1 4.18Å; W8-L79 HydrophobicContact CG-CD1 4.32Å; W8-L79 HydrophobicContact CH2-CD2 4.45Å; W8-L79 HydrophobicContact CZ2-CD1 4.42Å; W8-L79 HydrophobicContact CZ2-CD2 3.57Å; W8-D86 VanDerWaalsContact CB-OD2 3.29Å; W8-D86 WeakPolarHBondContact CB-OD2 3.42Å; W8-D86 PolarHBondContact N-OD2 2.85Å; W8-M89 HydrophobicContact CB-CE 3.98Å; W8-M89 HydrophobicContact CD2-CE 3.53Å; W8-M89 HydrophobicContact CE3-CE 4.49Å; W8-M89 HydrophobicContact CG-CE 3.25Å; W8-M89 HydrophobicContact CZ2-CE 4.43Å; W8-M89 VanDerWaalsContact NE1-CE 3.26Å; W8-N90 PolarHBondContact NE1-OD1 3.5Å; W8-I93 HydrophobicContact CZ2-CD1 4.08Å
9G94.7Very high88.5Confident43 Ų4385.4 Ų85.444%0.44345%0.449SS..Hα-helixtrans-59.7-36.5174.700000112.4N7N7-G9 VanDerWaalsContact C-N 3.26Å; N7-G9 PolarHBondContact O-N 2.92Å; N7-G9 WeakPolarHBondContact OD1-CA 3.36Å; N7-G9 PolarHBondContact OD1-N 3.42Å; N7-G9 VanDerWaalsContact OD1-N 3.12Å
10E95.6Very high88.9Confident69 Ų6982.2 Ų82.232%0.32243%0.431SS..Hα-helixtrans-75.9-53.1173.2-169.4170174.300111.6F6 N7 W8 K12 K13 H14 W21F6-E10 VanDerWaalsContact CD1-CD 3.45Å; F6-E10 HydrophobicContact CD1-CG 4.3Å; F6-E10 WeakPolarHBondContact CD1-OE1 3.11Å; F6-E10 WeakPolarHBondContact CD1-OE2 3.36Å; F6-E10 WeakPolarHBondContact CE1-OE1 3.42Å; N7-E10 PolarHBondContact O-N 2.96Å; N7-E10 PolarHBondContact OD1-N 3.32Å; W8-E10 PolarHBondContact O-N 3Å; E10-K12 PolarHBondContact O-N 2.95Å; E10-K12 VanDerWaalsContact O-N 3.14Å; E10-K13 VanDerWaalsContact O-CB 3.31Å; E10-K13 WeakPolarHBondContact O-CB 3.35Å; E10-K13 PolarHBondContact O-N 3.28Å; E10-H14 PolarHBondContact O-CD2 3.46Å; E10-H14 VanDerWaalsContact O-CD2 3.27Å; E10-W21 HydrophobicContact CG-CZ3 4.15Å
11V96.9Very high89.4Confident0 Ų079.4 Ų79.40%042%0.415CS..Hα-helixtrans-54.2-38.9-179.1172.50000112.2F6 N7 W8 K13 H14 W21 V23 V28 G50 L79F6-V11 HydrophobicContact CB-CG2 4.2Å; N7-V11 WeakPolarHBondContact O-CG2 3.26Å; N7-V11 PolarHBondContact O-N 2.91Å; N7-V11 VanDerWaalsContact O-N 3.1Å; W8-V11 HydrophobicContact CE3-CB 4.22Å; W8-V11 HydrophobicContact CE3-CG1 4.01Å; W8-V11 HydrophobicContact CZ3-CG1 3.95Å; W8-V11 PolarHBondContact O-N 2.87Å; V11-K13 PolarHBondContact O-N 2.9Å; V11-H14 PolarHBondContact O-N 3.49Å; V11-H14 VanDerWaalsContact O-N 3.14Å; V11-W21 HydrophobicContact CG1-CB 4.45Å; V11-W21 HydrophobicContact CG2-CE3 4.32Å; V11-V23 HydrophobicContact CG1-CG2 4Å; V11-V23 HydrophobicContact CG2-CG2 4.37Å; V11-V28 HydrophobicContact CG2-CG1 4.1Å; V11-V28 HydrophobicContact CG2-CG2 4.23Å; V11-G50 WeakPolarHBondContact O-CA 3.49Å; V11-L79 HydrophobicContact CG2-CD1 4.32Å
12K96.4Very high92Very high87 Ų8768.8 Ų68.838%0.37836%0.363SS..THydrogen-bonded Turntrans-67.7-15179.3-74.6168.7-178.1166.40114.3W8 E10 H14 Q15W8-K12 HydrophobicContact CB-CD 4.46Å; W8-K12 WeakPolarHBondContact O-CB 3.35Å; W8-K12 WeakPolarHBondContact O-CD 3.47Å; W8-K12 WeakPolarHBondContact O-CG 3.46Å; W8-K12 PolarHBondContact O-N 3.5Å; E10-K12 PolarHBondContact O-N 2.95Å; E10-K12 VanDerWaalsContact O-N 3.14Å; K12-H14 PolarHBondContact O-N 3.14Å; K12-Q15 VanDerWaalsContact O-CD 3.27Å; K12-Q15 WeakPolarHBondContact O-CG 3.46Å; K12-Q15 PolarHBondContact O-NE2 2.94Å
13K96.7Very high94.2Very high158 Ų15863.8 Ų63.869%0.68732%0.321SS*.THydrogen-bonded Turntrans-70.6-27173.2-63.6171.9-175.2172.70111.5E10 V11 Q15E10-K13 VanDerWaalsContact O-CB 3.31Å; E10-K13 WeakPolarHBondContact O-CB 3.35Å; E10-K13 PolarHBondContact O-N 3.28Å; V11-K13 PolarHBondContact O-N 2.9Å; K13-Q15 PolarHBondContact O-N 2.73Å
14H96.8Very high95.3Very high30 Ų3057.4 Ų57.414%0.13929%0.294CS..  trans-94.161.5-174.4-57.8-85.1000111.3E10 V11 K12 D19 R20 W21E10-H14 PolarHBondContact O-CD2 3.46Å; E10-H14 VanDerWaalsContact O-CD2 3.27Å; V11-H14 PolarHBondContact O-N 3.49Å; V11-H14 VanDerWaalsContact O-N 3.14Å; K12-H14 PolarHBondContact O-N 3.14Å; H14-D19 CarbonylContact C-O 3.57Å; H14-D19 IonicContact CE1-OD1 2.81Å; H14-D19 IonicContact CE1-OD2 2.78Å; H14-D19 IonicContact CG-OD1 3.9Å; H14-D19 IonicContact CG-OD2 3.58Å; H14-D19 IonicContact ND1-OD1 2.78Å; H14-D19 PolarHBondContact ND1-OD1 3.04Å; H14-D19 IonicContact ND1-OD2 3.72Å; H14-D19 PolarHBondContact ND1-OD2 3.16Å; H14-R20 VanDerWaalsContact O-CA 3.3Å; H14-R20 WeakPolarHBondContact O-CA 3.17Å; H14-W21 HydrophobicContact CB-CB 3.7Å; H14-W21 HydrophobicContact CB-CD2 3.8Å; H14-W21 HydrophobicContact CB-CE3 4.47Å; H14-W21 HydrophobicContact CB-CG 3.42Å; H14-W21 VanDerWaalsContact CB-CG 3.42Å; H14-W21 AromaticContact CD2-CD2 3.4Å; H14-W21 VanDerWaalsContact CD2-CD2 3.4Å; H14-W21 AromaticContact CD2-CE2 3.63Å; H14-W21 AromaticContact CD2-CE3 3.42Å; H14-W21 VanDerWaalsContact CD2-CE3 3.42Å; H14-W21 AromaticContact CD2-CH2 3.88Å; H14-W21 AromaticContact CD2-CZ2 3.88Å; H14-W21 AromaticContact CD2-CZ3 3.66Å; H14-W21 AromaticContact CE1-CE2 3.63Å; H14-W21 AromaticContact CE1-CH2 3.94Å; H14-W21 AromaticContact CE1-CZ2 3.49Å; H14-W21 VanDerWaalsContact CE1-CZ2 3.49Å; H14-W21 WeakPolarHBondContact CE1-CZ2 3.35Å; H14-W21 AromaticContact CG-CD1 3.78Å; H14-W21 AromaticContact CG-CD2 3.42Å; H14-W21 VanDerWaalsContact CG-CD2 3.42Å; H14-W21 AromaticContact CG-CE2 3.52Å; H14-W21 AromaticContact CG-CE3 3.94Å; H14-W21 AromaticContact CG-CG 3.6Å; H14-W21 AromaticContact CG-NE1 3.7Å; H14-W21 AromaticContact ND1-CD1 3.98Å; H14-W21 AromaticContact ND1-CD2 3.93Å; H14-W21 AromaticContact ND1-CE2 3.5Å; H14-W21 AromaticContact ND1-CZ2 3.86Å; H14-W21 AromaticContact ND1-NE1 3.52Å; H14-W21 AromaticContact NE2-CD2 3.98Å; H14-W21 AromaticContact NE2-CE2 3.75Å; H14-W21 AromaticContact NE2-CE3 3.95Å; H14-W21 AromaticContact NE2-CH2 3.49Å; H14-W21 WeakPolarHBondContact NE2-CH2 3.4Å; H14-W21 AromaticContact NE2-CZ2 3.52Å; H14-W21 AromaticContact NE2-CZ3 3.72Å; H14-W21 PolarHBondContact O-N 3.46Å
15Q95.2Very high95.5Very high95 Ų9560 Ų6044%0.44430%0.302SS..BIsolated β-bridgetrans-113.3-5.5-178.7-68.9-175.30.200114.3K12 K13 D19 A49K12-Q15 VanDerWaalsContact O-CD 3.27Å; K12-Q15 WeakPolarHBondContact O-CG 3.46Å; K12-Q15 PolarHBondContact O-NE2 2.94Å; K13-Q15 PolarHBondContact O-N 2.73Å; Q15-D19 CarbonylContact C-O 3.14Å; Q15-D19 PolarHBondContact N-O 3.01Å; Q15-A49 WeakPolarHBondContact CG-O 3.34Å
16S93.9Very high95.5Very high60 Ų6056.7 Ų56.742%0.4229%0.285SS..SBendtrans-72.3172.9-173.2860000112.1K18 D19 R20S16-K18 VanDerWaalsContact C-N 3.27Å; S16-K18 PolarHBondContact O-N 3.02Å; S16-K18 PolarHBondContact OG-N 2.84Å; S16-D19 PolarHBondContact N-O 2.85Å; S16-D19 VanDerWaalsContact O-O 3.12Å; S16-D19 WeakPolarHBondContact OG-CB 3.38Å; S16-D19 PolarHBondContact OG-N 3.01Å; S16-D19 VanDerWaalsContact OG-N 3.09Å; S16-D19 PolarHBondContact OG-O 3.49Å; S16-R20 WeakPolarHBondContact O-CG 3.45Å; S16-R20 PolarHBondContact O-NE 3.08Å
17L89.4Confident95.6Very high126 Ų12658.9 Ų58.966%0.6630%0.295SS*.SBendtrans-67.4-28.5175.7-78.6163.1000113.2Q35L17-Q35 PolarHBondContact O-NE2 3.44Å
18K93Very high95.7Very high191 Ų19156 Ų5683%0.8328%0.28SS*.SBendtrans-98.5-11.9-175.3-65.1-176.6-179.4179.20113.1S16S16-K18 VanDerWaalsContact C-N 3.27Å; S16-K18 PolarHBondContact O-N 3.02Å; S16-K18 PolarHBondContact OG-N 2.84Å
19D96Very high95.8Very high53 Ų5356.7 Ų56.728%0.28328%0.282SS..  trans-144.8105.4-172.9-178.814.9000109.1H14 Q15 S16 S32H14-D19 CarbonylContact C-O 3.57Å; H14-D19 IonicContact CE1-OD1 2.81Å; H14-D19 IonicContact CE1-OD2 2.78Å; H14-D19 IonicContact CG-OD1 3.9Å; H14-D19 IonicContact CG-OD2 3.58Å; H14-D19 IonicContact ND1-OD1 2.78Å; H14-D19 PolarHBondContact ND1-OD1 3.04Å; H14-D19 IonicContact ND1-OD2 3.72Å; H14-D19 PolarHBondContact ND1-OD2 3.16Å; Q15-D19 CarbonylContact C-O 3.14Å; Q15-D19 PolarHBondContact N-O 3.01Å; S16-D19 PolarHBondContact N-O 2.85Å; S16-D19 VanDerWaalsContact O-O 3.12Å; S16-D19 WeakPolarHBondContact OG-CB 3.38Å; S16-D19 PolarHBondContact OG-N 3.01Å; S16-D19 VanDerWaalsContact OG-N 3.09Å; S16-D19 PolarHBondContact OG-O 3.49Å; D19-S32 WeakPolarHBondContact CA-OG 3.36Å
20R96.4Very high95.9Very high21 Ų2157.1 Ų57.18%0.07927%0.274CS..BIsolated β-bridgetrans-137.4110.4-169.6-68.1-173.6170.6-171.3-21111.3H14 S16 V31 S32 Q35 R42 A49H14-R20 VanDerWaalsContact O-CA 3.3Å; H14-R20 WeakPolarHBondContact O-CA 3.17Å; S16-R20 WeakPolarHBondContact O-CG 3.45Å; S16-R20 PolarHBondContact O-NE 3.08Å; R20-V31 HydrophobicContact CB-CG2 4.09Å; R20-V31 WeakPolarHBondContact O-CG2 3.44Å; R20-V31 PolarHBondContact O-N 2.89Å; R20-S32 PolarHBondContact N-OG 3.05Å; R20-Q35 VanDerWaalsContact CD-OE1 3.3Å; R20-R42 PolarHBondContact NH1-O 2.85Å; R20-A49 HydrophobicContact CB-CB 4.18Å; R20-A49 HydrophobicContact CG-CB 3.91Å
21W97.9Very high96Very high25 Ų2553.9 Ų53.910%0.09526%0.259CS..EExtended strand (participates in β ladder)trans-102.1146.1167.9-64.14.2000110.4F6 E10 V11 H14 V28 Y29 A49 G50 I76F6-W21 HydrophobicContact CD1-CH2 4.22Å; F6-W21 AromaticContact CD1-CZ3 3.78Å; F6-W21 HydrophobicContact CD1-CZ3 3.78Å; F6-W21 AromaticContact CE1-CH2 3.75Å; F6-W21 HydrophobicContact CE1-CH2 3.75Å; F6-W21 AromaticContact CE1-CZ3 3.76Å; F6-W21 HydrophobicContact CE1-CZ3 3.76Å; F6-W21 HydrophobicContact CG-CZ3 4.27Å; F6-W21 HydrophobicContact CZ-CH2 4.16Å; F6-W21 HydrophobicContact CZ-CZ3 4.24Å; E10-W21 HydrophobicContact CG-CZ3 4.15Å; V11-W21 HydrophobicContact CG1-CB 4.45Å; V11-W21 HydrophobicContact CG2-CE3 4.32Å; H14-W21 HydrophobicContact CB-CB 3.7Å; H14-W21 HydrophobicContact CB-CD2 3.8Å; H14-W21 HydrophobicContact CB-CE3 4.47Å; H14-W21 HydrophobicContact CB-CG 3.42Å; H14-W21 VanDerWaalsContact CB-CG 3.42Å; H14-W21 AromaticContact CD2-CD2 3.4Å; H14-W21 VanDerWaalsContact CD2-CD2 3.4Å; H14-W21 AromaticContact CD2-CE2 3.63Å; H14-W21 AromaticContact CD2-CE3 3.42Å; H14-W21 VanDerWaalsContact CD2-CE3 3.42Å; H14-W21 AromaticContact CD2-CH2 3.88Å; H14-W21 AromaticContact CD2-CZ2 3.88Å; H14-W21 AromaticContact CD2-CZ3 3.66Å; H14-W21 AromaticContact CE1-CE2 3.63Å; H14-W21 AromaticContact CE1-CH2 3.94Å; H14-W21 AromaticContact CE1-CZ2 3.49Å; H14-W21 VanDerWaalsContact CE1-CZ2 3.49Å; H14-W21 WeakPolarHBondContact CE1-CZ2 3.35Å; H14-W21 AromaticContact CG-CD1 3.78Å; H14-W21 AromaticContact CG-CD2 3.42Å; H14-W21 VanDerWaalsContact CG-CD2 3.42Å; H14-W21 AromaticContact CG-CE2 3.52Å; H14-W21 AromaticContact CG-CE3 3.94Å; H14-W21 AromaticContact CG-CG 3.6Å; H14-W21 AromaticContact CG-NE1 3.7Å; H14-W21 AromaticContact ND1-CD1 3.98Å; H14-W21 AromaticContact ND1-CD2 3.93Å; H14-W21 AromaticContact ND1-CE2 3.5Å; H14-W21 AromaticContact ND1-CZ2 3.86Å; H14-W21 AromaticContact ND1-NE1 3.52Å; H14-W21 AromaticContact NE2-CD2 3.98Å; H14-W21 AromaticContact NE2-CE2 3.75Å; H14-W21 AromaticContact NE2-CE3 3.95Å; H14-W21 AromaticContact NE2-CH2 3.49Å; H14-W21 WeakPolarHBondContact NE2-CH2 3.4Å; H14-W21 AromaticContact NE2-CZ2 3.52Å; H14-W21 AromaticContact NE2-CZ3 3.72Å; H14-W21 PolarHBondContact O-N 3.46Å; W21-V28 HydrophobicContact CB-CG1 4.27Å; W21-V28 HydrophobicContact CD2-CG1 4.24Å; W21-V28 HydrophobicContact CE3-CG1 3.75Å; W21-V28 HydrophobicContact CG-CG1 4.49Å; W21-V28 HydrophobicContact CZ3-CG1 4.45Å; W21-Y29 VanDerWaalsContact CA-O 3.26Å; W21-Y29 WeakPolarHBondContact CA-O 3.22Å; W21-A49 CarbonylContact O-C 3.6Å; W21-A49 WeakPolarHBondContact O-CA 3.4Å; W21-G50 PolarHBondContact O-N 3.42Å; W21-I76 HydrophobicContact CD2-CD1 3.63Å; W21-I76 VanDerWaalsContact CE2-CD1 3.45Å; W21-I76 HydrophobicContact CE3-CD1 3.8Å; W21-I76 HydrophobicContact CG-CD1 4.33Å; W21-I76 HydrophobicContact CH2-CD1 3.69Å; W21-I76 HydrophobicContact CZ2-CD1 3.5Å; W21-I76 VanDerWaalsContact CZ2-CD1 3.5Å; W21-I76 HydrophobicContact CZ3-CD1 3.82Å
22I97.7Very high95.9Very high10 Ų1054.9 Ų54.95%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-132.2151.6172.364.2176000109I24 Y29 V31 A53I22-I24 HydrophobicContact CD1-CD1 3.8Å; I22-I24 HydrophobicContact CD1-CG1 4.42Å; I22-I24 HydrophobicContact CG1-CD1 4.46Å; I22-Y29 PolarHBondContact N-O 3.35Å; I22-Y29 PolarHBondContact O-N 3.4Å; I22-V31 HydrophobicContact CD1-CG1 3.8Å; I22-V31 HydrophobicContact CD1-CG2 4.3Å; I22-V31 HydrophobicContact CG1-CG1 3.98Å; I22-V31 HydrophobicContact CG1-CG2 4.26Å; I22-V31 HydrophobicContact CG2-CG2 4.1Å; I22-A53 HydrophobicContact CB-CB 4.49Å
23V97.7Very high95.7Very high0 Ų054.7 Ų54.70%028%0.276CS..EExtended strand (participates in β ladder)trans-106.9129.5173.5179.60000109.4W8 V11 K27 V28 Q51 A53 L79W8-V23 HydrophobicContact CH2-CB 3.71Å; W8-V23 HydrophobicContact CH2-CG1 4.24Å; W8-V23 HydrophobicContact CH2-CG2 3.55Å; W8-V23 HydrophobicContact CZ2-CB 4.44Å; W8-V23 HydrophobicContact CZ2-CG2 4.3Å; W8-V23 HydrophobicContact CZ3-CB 4.3Å; W8-V23 HydrophobicContact CZ3-CG2 3.71Å; V11-V23 HydrophobicContact CG1-CG2 4Å; V11-V23 HydrophobicContact CG2-CG2 4.37Å; V23-K27 CarbonylContact C-O 3.51Å; V23-K27 VanDerWaalsContact CA-O 3.3Å; V23-K27 WeakPolarHBondContact CA-O 3.3Å; V23-V28 HydrophobicContact CG2-CG2 4.29Å; V23-Q51 PolarHBondContact N-O 2.96Å; V23-A53 PolarHBondContact O-N 2.65Å; V23-L79 HydrophobicContact CG1-CB 4.38Å; V23-L79 HydrophobicContact CG1-CD2 4.02Å; V23-L79 HydrophobicContact CG2-CD1 4.39Å
24I96.5Very high95.6Very high10 Ų1048.7 Ų48.75%0.05125%0.249CC..EExtended strand (participates in β ladder)trans-134.3122.8171.9-63.5167.1000107.4I22 N26 K27 Y29 A53 T54 F57 L71I22-I24 HydrophobicContact CD1-CD1 3.8Å; I22-I24 HydrophobicContact CD1-CG1 4.42Å; I22-I24 HydrophobicContact CG1-CD1 4.46Å; I24-N26 VanDerWaalsContact C-N 3.34Å; I24-N26 PolarHBondContact O-N 3.49Å; I24-K27 PolarHBondContact N-O 2.86Å; I24-K27 WeakPolarHBondContact O-CB 3.11Å; I24-K27 PolarHBondContact O-N 3.48Å; I24-Y29 HydrophobicContact CB-CD2 4.27Å; I24-Y29 HydrophobicContact CB-CE2 3.79Å; I24-A53 HydrophobicContact CG1-CB 4.02Å; I24-T54 WeakPolarHBondContact CA-OG1 3.33Å; I24-F57 HydrophobicContact CD1-CB 4.04Å; I24-F57 HydrophobicContact CD1-CD2 3.73Å; I24-F57 HydrophobicContact CD1-CE2 4.39Å; I24-F57 HydrophobicContact CD1-CG 3.92Å; I24-F57 HydrophobicContact CG1-CB 4.28Å; I24-F57 HydrophobicContact CG1-CG 4.5Å; I24-F57 HydrophobicContact CG2-CB 4.22Å; I24-F57 HydrophobicContact CG2-CD1 3.82Å; I24-F57 HydrophobicContact CG2-CE1 4.38Å; I24-F57 HydrophobicContact CG2-CG 3.99Å; I24-L71 HydrophobicContact CB-CD2 4.43Å; I24-L71 HydrophobicContact CD1-CD1 4.17Å; I24-L71 HydrophobicContact CD1-CD2 3.62Å; I24-L71 HydrophobicContact CG2-CD2 4.43Å
25D93.9Very high95.3Very high76 Ų7647.7 Ų47.741%0.40624%0.244SC..THydrogen-bonded Turntrans51.951.3178.2-177.944.9000112.3K27 T54D25-K27 PolarHBondContact O-N 2.81Å; D25-K27 IonicContact OD2-NZ 3.9Å; D25-K27 PolarHBondContact OD2-NZ 2.88Å; D25-T54 PolarHBondContact N-OG1 3.22Å
26N94.9Very high95.1Very high48 Ų4848.4 Ų48.426%0.25725%0.251SS..THydrogen-bonded Turntrans57.813.7-177.4-55.1-38.2000115.4I24 L79 Q81I24-N26 VanDerWaalsContact C-N 3.34Å; I24-N26 PolarHBondContact O-N 3.49Å; N26-L79 WeakPolarHBondContact O-CB 3.31Å; N26-L79 PolarHBondContact O-N 3.4Å; N26-Q81 VanDerWaalsContact CG-CD 3.47Å; N26-Q81 PolarHBondContact OD1-NE2 3.11Å; N26-Q81 PolarHBondContact OD1-OE1 3.42Å
27K97Very high95Very high70 Ų7053.1 Ų53.130%0.30426%0.264SS..EExtended strand (participates in β ladder)trans-106.9138175.6-63.6178-166.687.50109.6V23 I24 D25 Y29 Y75V23-K27 CarbonylContact C-O 3.51Å; V23-K27 VanDerWaalsContact CA-O 3.3Å; V23-K27 WeakPolarHBondContact CA-O 3.3Å; I24-K27 PolarHBondContact N-O 2.86Å; I24-K27 WeakPolarHBondContact O-CB 3.11Å; I24-K27 PolarHBondContact O-N 3.48Å; D25-K27 PolarHBondContact O-N 2.81Å; D25-K27 IonicContact OD2-NZ 3.9Å; D25-K27 PolarHBondContact OD2-NZ 2.88Å; K27-Y29 HydrophobicContact CB-CD2 4.46Å; K27-Y29 HydrophobicContact CB-CE2 3.52Å; K27-Y29 WeakPolarHBondContact CB-OH 3.46Å; K27-Y29 WeakPolarHBondContact CD-OH 3.32Å; K27-Y29 VanDerWaalsContact O-CD2 3.3Å; K27-Y29 WeakPolarHBondContact O-CD2 3.33Å; K27-Y29 VanDerWaalsContact O-CE2 3.26Å; K27-Y29 WeakPolarHBondContact O-CE2 3.37Å; K27-Y75 HydrophobicContact CB-CD2 3.89Å; K27-Y75 HydrophobicContact CB-CE2 3.71Å; K27-Y75 HydrophobicContact CD-CD2 4.29Å; K27-Y75 HydrophobicContact CD-CE2 4.03Å; K27-Y75 HydrophobicContact CG-CD2 4.32Å; K27-Y75 HydrophobicContact CG-CE2 3.8Å
28V98.1Very high95.1Very high0 Ų048.3 Ų48.30%024%0.238CC..EExtended strand (participates in β ladder)trans-97.4132.3179.8-168.70000109.6F6 V11 W21 V23 I76 G77 L79F6-V28 HydrophobicContact CB-CG2 4.1Å; F6-V28 HydrophobicContact CD2-CB 3.91Å; F6-V28 HydrophobicContact CD2-CG1 4.29Å; F6-V28 HydrophobicContact CD2-CG2 3.72Å; F6-V28 HydrophobicContact CE2-CB 4.37Å; F6-V28 HydrophobicContact CG-CG2 4.29Å; V11-V28 HydrophobicContact CG2-CG1 4.1Å; V11-V28 HydrophobicContact CG2-CG2 4.23Å; W21-V28 HydrophobicContact CB-CG1 4.27Å; W21-V28 HydrophobicContact CD2-CG1 4.24Å; W21-V28 HydrophobicContact CE3-CG1 3.75Å; W21-V28 HydrophobicContact CG-CG1 4.49Å; W21-V28 HydrophobicContact CZ3-CG1 4.45Å; V23-V28 HydrophobicContact CG2-CG2 4.29Å; V28-I76 HydrophobicContact CB-CD1 4.46Å; V28-I76 HydrophobicContact CB-CG1 4.07Å; V28-I76 HydrophobicContact CG1-CD1 3.85Å; V28-I76 HydrophobicContact CG1-CG1 3.97Å; V28-I76 WeakPolarHBondContact O-CG1 3.37Å; V28-I76 PolarHBondContact O-N 2.83Å; V28-G77 PolarHBondContact N-O 2.86Å; V28-L79 HydrophobicContact CG2-CB 4.23Å
29Y97.5Very high95Very high19 Ų1945.2 Ų45.28%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-126128.6-178.5-57.8-89.1000111.4W21 I22 I24 K27 V31 L71 Y74 Y75W21-Y29 VanDerWaalsContact CA-O 3.26Å; W21-Y29 WeakPolarHBondContact CA-O 3.22Å; I22-Y29 PolarHBondContact N-O 3.35Å; I22-Y29 PolarHBondContact O-N 3.4Å; I24-Y29 HydrophobicContact CB-CD2 4.27Å; I24-Y29 HydrophobicContact CB-CE2 3.79Å; K27-Y29 HydrophobicContact CB-CD2 4.46Å; K27-Y29 HydrophobicContact CB-CE2 3.52Å; K27-Y29 WeakPolarHBondContact CB-OH 3.46Å; K27-Y29 WeakPolarHBondContact CD-OH 3.32Å; K27-Y29 VanDerWaalsContact O-CD2 3.3Å; K27-Y29 WeakPolarHBondContact O-CD2 3.33Å; K27-Y29 VanDerWaalsContact O-CE2 3.26Å; K27-Y29 WeakPolarHBondContact O-CE2 3.37Å; Y29-V31 PolarHBondContact O-N 2.99Å; Y29-L71 HydrophobicContact CD1-CD1 3.67Å; Y29-L71 HydrophobicContact CD1-CD2 4.36Å; Y29-L71 HydrophobicContact CD1-CG 3.61Å; Y29-L71 WeakPolarHBondContact CD1-O 3.38Å; Y29-L71 HydrophobicContact CD2-CD1 4.17Å; Y29-L71 HydrophobicContact CD2-CD2 4.37Å; Y29-L71 HydrophobicContact CD2-CG 4.36Å; Y29-L71 HydrophobicContact CE1-CD1 4.07Å; Y29-L71 HydrophobicContact CE1-CD2 3.93Å; Y29-L71 HydrophobicContact CE1-CG 3.47Å; Y29-L71 VanDerWaalsContact CE1-CG 3.47Å; Y29-L71 HydrophobicContact CE2-CD2 3.93Å; Y29-L71 HydrophobicContact CE2-CG 4.24Å; Y29-L71 HydrophobicContact CG-CD1 3.72Å; Y29-L71 HydrophobicContact CG-CG 4.06Å; Y29-Y74 CarbonylContact C-O 3.45Å; Y29-Y74 WeakPolarHBondContact CA-O 3.36Å; Y29-Y75 HydrophobicContact CD1-CD2 4.5Å; Y29-Y75 HydrophobicContact CE1-CD2 4.01Å; Y29-Y75 HydrophobicContact CE1-CG 4.35Å
30D97.2Very high94.7Very high52 Ų5243.8 Ų43.828%0.27824%0.235SC..EExtended strand (participates in β ladder)trans-86.999168179.84.6000110.1S32 Y74 I76D30-S32 WeakPolarHBondContact OD1-CB 3.38Å; D30-S32 PolarHBondContact OD1-N 3.45Å; D30-S32 PolarHBondContact OD1-OG 3.39Å; D30-Y74 PolarHBondContact N-O 3.13Å; D30-Y74 WeakPolarHBondContact O-CB 3.24Å; D30-Y74 WeakPolarHBondContact O-CD1 3.47Å; D30-I76 HydrophobicContact CB-CD1 4.35Å; D30-I76 HydrophobicContact CB-CG2 3.92Å
31V96.1Very high94.4Very high0 Ų043.7 Ų43.70%024%0.24CC..  trans-95.510.8-178.1-640000112.9R20 I22 Y29 S33 W34 Q35 I45R20-V31 HydrophobicContact CB-CG2 4.09Å; R20-V31 WeakPolarHBondContact O-CG2 3.44Å; R20-V31 PolarHBondContact O-N 2.89Å; I22-V31 HydrophobicContact CD1-CG1 3.8Å; I22-V31 HydrophobicContact CD1-CG2 4.3Å; I22-V31 HydrophobicContact CG1-CG1 3.98Å; I22-V31 HydrophobicContact CG1-CG2 4.26Å; I22-V31 HydrophobicContact CG2-CG2 4.1Å; Y29-V31 PolarHBondContact O-N 2.99Å; V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 3.4Å; V31-W34 HydrophobicContact CG1-CE3 4.35Å; V31-W34 PolarHBondContact O-N 3.21Å; V31-Q35 PolarHBondContact O-N 3.37Å; V31-I45 HydrophobicContact CB-CG2 4.47Å; V31-I45 HydrophobicContact CG2-CG2 3.71Å
32S95.6Very high94.2Very high21 Ų2149.3 Ų49.315%0.14726%0.262CS..THydrogen-bonded Turntrans-56-42.3-174.5-56.70000112.9D19 R20 D30 Q35D19-S32 WeakPolarHBondContact CA-OG 3.36Å; R20-S32 PolarHBondContact N-OG 3.05Å; D30-S32 WeakPolarHBondContact OD1-CB 3.38Å; D30-S32 PolarHBondContact OD1-N 3.45Å; D30-S32 PolarHBondContact OD1-OG 3.39Å; S32-Q35 WeakPolarHBondContact O-CG 3.48Å; S32-Q35 PolarHBondContact O-NE2 3.02Å
33S93.1Very high94Very high83 Ų8352.6 Ų52.658%0.5828%0.276SS*.THydrogen-bonded Turntrans-82.4-16.7179.565.30000113.7V31 Y74V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 3.4Å; S33-Y74 WeakPolarHBondContact OG-CE1 3.37Å
34W92.7Very high93.8Very high33 Ų3353 Ų5313%0.12528%0.278CS..THydrogen-bonded Turntrans-104-26.1-172.7-173.369.3000114.9V31 N36 K37 H38 I45 F70 Y74V31-W34 HydrophobicContact CG1-CE3 4.35Å; V31-W34 PolarHBondContact O-N 3.21Å; W34-N36 PolarHBondContact O-N 3.23Å; W34-K37 WeakPolarHBondContact O-CA 3.13Å; W34-K37 WeakPolarHBondContact O-CB 3.26Å; W34-K37 PolarHBondContact O-N 2.98Å; W34-H38 HydrophobicContact CE3-CB 4.32Å; W34-H38 HydrophobicContact CH2-CB 4.14Å; W34-H38 AromaticContact CH2-CD2 3.28Å; W34-H38 WeakPolarHBondContact CH2-CD2 3.3Å; W34-H38 HydrophobicContact CZ2-CB 4.43Å; W34-H38 HydrophobicContact CZ3-CB 4.04Å; W34-H38 AromaticContact CZ3-CD2 3.68Å; W34-H38 PolarHBondContact O-N 3.19Å; W34-I45 HydrophobicContact CE3-CD1 3.77Å; W34-I45 HydrophobicContact CH2-CD1 4.46Å; W34-I45 HydrophobicContact CZ3-CD1 3.49Å; W34-I45 VanDerWaalsContact CZ3-CD1 3.49Å; W34-F70 HydrophobicContact CZ2-CB 4.19Å; W34-Y74 HydrophobicContact CB-CD1 4.13Å; W34-Y74 HydrophobicContact CB-CD2 4.11Å; W34-Y74 HydrophobicContact CB-CE1 3.65Å; W34-Y74 HydrophobicContact CB-CE2 3.61Å; W34-Y74 HydrophobicContact CB-CG 4.35Å; W34-Y74 AromaticContact CD1-CE2 3.34Å; W34-Y74 AromaticContact CD1-CZ 3.44Å; W34-Y74 VanDerWaalsContact CD1-CZ 3.44Å; W34-Y74 HydrophobicContact CD2-CD2 4.4Å; W34-Y74 AromaticContact CD2-CE2 3.99Å; W34-Y74 HydrophobicContact CD2-CE2 3.99Å; W34-Y74 HydrophobicContact CG-CD2 4.04Å; W34-Y74 HydrophobicContact CG-CE1 4.29Å; W34-Y74 AromaticContact CG-CE2 3.35Å; W34-Y74 HydrophobicContact CG-CE2 3.35Å; W34-Y74 AromaticContact CG-CZ 3.52Å; W34-Y74 AromaticContact NE1-CE2 3.92Å
35Q91.8Very high93.7Very high8 Ų853.1 Ų53.14%0.03728%0.279CS..THydrogen-bonded Turntrans-49.2-30.8-174.858175.5-41.100115.2L17 R20 V31 S32 K37 R42 I45L17-Q35 PolarHBondContact O-NE2 3.44Å; R20-Q35 VanDerWaalsContact CD-OE1 3.3Å; V31-Q35 PolarHBondContact O-N 3.37Å; S32-Q35 WeakPolarHBondContact O-CG 3.48Å; S32-Q35 PolarHBondContact O-NE2 3.02Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-R42 WeakPolarHBondContact O-CA 3.44Å; Q35-R42 PolarHBondContact O-N 3.21Å; Q35-I45 HydrophobicContact CB-CG2 4.35Å
36N90.5Very high93.8Very high111 Ų11150 Ų5059%0.59427%0.265SS*.THydrogen-bonded Turntrans-79.7-16.2179.5-65.9-43.8000113.4W34W34-N36 PolarHBondContact O-N 3.23Å
37K91.4Very high93.8Very high158 Ų15848.4 Ų48.469%0.68726%0.256SS*.THydrogen-bonded Turntrans-96.9-10.6178.1-60.3180-178.7176.50112.6W34 Q35W34-K37 WeakPolarHBondContact O-CA 3.13Å; W34-K37 WeakPolarHBondContact O-CB 3.26Å; W34-K37 PolarHBondContact O-N 2.98Å; Q35-K37 VanDerWaalsContact C-N 3.34Å
38H93Very high93.8Very high26 Ų2645.6 Ų45.612%0.1224%0.243CC..  trans-66.7129.8-179.8179.1-115.9000111.8W34 G40 G41 I45 H61W34-H38 HydrophobicContact CE3-CB 4.32Å; W34-H38 HydrophobicContact CH2-CB 4.14Å; W34-H38 AromaticContact CH2-CD2 3.28Å; W34-H38 WeakPolarHBondContact CH2-CD2 3.3Å; W34-H38 HydrophobicContact CZ2-CB 4.43Å; W34-H38 HydrophobicContact CZ3-CB 4.04Å; W34-H38 AromaticContact CZ3-CD2 3.68Å; W34-H38 PolarHBondContact O-N 3.19Å; H38-G40 VanDerWaalsContact C-N 3.3Å; H38-G40 PolarHBondContact CE1-N 3.45Å; H38-G40 WeakPolarHBondContact ND1-CA 3.3Å; H38-G40 PolarHBondContact ND1-N 2.89Å; H38-G40 VanDerWaalsContact ND1-N 3.17Å; H38-G40 PolarHBondContact O-N 2.83Å; H38-G41 PolarHBondContact ND1-N 3.23Å; H38-G41 WeakPolarHBondContact O-CA 3.3Å; H38-G41 PolarHBondContact O-N 3.23Å; H38-I45 HydrophobicContact CB-CD1 3.21Å; H38-I45 HydrophobicContact CB-CG1 4.21Å; H38-H61 AromaticContact NE2-NE2 3.85Å
39P89.9Confident93.8Very high126 Ų12645.8 Ų45.882%0.81825%0.245SC*.THydrogen-bonded Turntrans-58.3-34.6-179.9-28.136.2000114.9G41P39-G41 PolarHBondContact O-N 2.91Å
40G89.1Confident93.8Very high22 Ų2244.9 Ų44.923%0.22724%0.241CC..THydrogen-bonded Turntrans-73.4-6174.500000114.2H38 V44H38-G40 VanDerWaalsContact C-N 3.3Å; H38-G40 PolarHBondContact CE1-N 3.45Å; H38-G40 WeakPolarHBondContact ND1-CA 3.3Å; H38-G40 PolarHBondContact ND1-N 2.89Å; H38-G40 VanDerWaalsContact ND1-N 3.17Å; H38-G40 PolarHBondContact O-N 2.83Å; G40-V44 VanDerWaalsContact O-CG2 3.3Å; G40-V44 WeakPolarHBondContact O-CG2 3.11Å
41G90.7Very high93.8Very high19 Ų1943.1 Ų43.120%0.19623%0.231CC..Hα-helixtrans85158.6178.300000114.6H38 P39 K43 V44H38-G41 PolarHBondContact ND1-N 3.23Å; H38-G41 WeakPolarHBondContact O-CA 3.3Å; H38-G41 PolarHBondContact O-N 3.23Å; P39-G41 PolarHBondContact O-N 2.91Å; G41-K43 PolarHBondContact O-N 3.45Å; G41-V44 PolarHBondContact O-N 3.44Å
42R93.4Very high93.8Very high143 Ų14344 Ų4454%0.5424%0.236SC..Hα-helixtrans-61-25.5-17571.2179.1-176.8179.70.5115.2R20 Q35 G46R20-R42 PolarHBondContact NH1-O 2.85Å; Q35-R42 WeakPolarHBondContact O-CA 3.44Å; Q35-R42 PolarHBondContact O-N 3.21Å; R42-G46 PolarHBondContact O-N 3.36Å
43K93.8Very high93.9Very high80 Ų8043.4 Ų43.435%0.34823%0.232SC..Hα-helixtrans-73.3-47.6-178.6-71.8-170.9-179.1174.70111.2G41 I45 G46 H47 Q206G41-K43 PolarHBondContact O-N 3.45Å; K43-I45 VanDerWaalsContact C-N 3.34Å; K43-I45 PolarHBondContact O-N 3.22Å; K43-G46 CarbonylContact O-C 3.56Å; K43-G46 WeakPolarHBondContact O-CA 3.2Å; K43-G46 PolarHBondContact O-N 2.99Å; K43-H47 VanDerWaalsContact O-CG 3.25Å; K43-H47 PolarHBondContact O-N 2.81Å; K43-H47 PolarHBondContact O-ND1 3.37Å; K43-Q206 HydrophobicContact CB-CG 4.35Å
44V94.5Very high94.1Very high8 Ų839.6 Ų39.65%0.04821%0.205CC..Hα-helixtrans-58.8-45.8179.9177.40000111G40 G41 H47 F60 Q206 A209G40-V44 VanDerWaalsContact O-CG2 3.3Å; G40-V44 WeakPolarHBondContact O-CG2 3.11Å; G41-V44 PolarHBondContact O-N 3.44Å; V44-H47 WeakPolarHBondContact O-CB 3.46Å; V44-H47 PolarHBondContact O-N 3.43Å; V44-F60 HydrophobicContact CG1-CE2 4.41Å; V44-Q206 HydrophobicContact CG2-CG 3.6Å; V44-A209 HydrophobicContact CG1-CB 4.26Å
45I93.5Very high94.2Very high13 Ų1338.5 Ų38.57%0.06721%0.205CC..Hα-helixtrans-63.1-46.2173.5-69.8-176.8000110.9V31 W34 Q35 H38 K43 H47 Y48V31-I45 HydrophobicContact CB-CG2 4.47Å; V31-I45 HydrophobicContact CG2-CG2 3.71Å; W34-I45 HydrophobicContact CE3-CD1 3.77Å; W34-I45 HydrophobicContact CH2-CD1 4.46Å; W34-I45 HydrophobicContact CZ3-CD1 3.49Å; W34-I45 VanDerWaalsContact CZ3-CD1 3.49Å; Q35-I45 HydrophobicContact CB-CG2 4.35Å; H38-I45 HydrophobicContact CB-CD1 3.21Å; H38-I45 HydrophobicContact CB-CG1 4.21Å; K43-I45 VanDerWaalsContact C-N 3.34Å; K43-I45 PolarHBondContact O-N 3.22Å; I45-H47 PolarHBondContact O-N 2.94Å; I45-H47 VanDerWaalsContact O-N 3.13Å; I45-Y48 PolarHBondContact O-N 3.27Å
46G95.5Very high94.4Very high11 Ų1138.3 Ų38.311%0.11321%0.205CC..Hα-helixtrans-58.2-26.8-179.300000114.5R42 K43 Y48 A49R42-G46 PolarHBondContact O-N 3.36Å; K43-G46 CarbonylContact O-C 3.56Å; K43-G46 WeakPolarHBondContact O-CA 3.2Å; K43-G46 PolarHBondContact O-N 2.99Å; G46-Y48 PolarHBondContact O-N 2.87Å; G46-A49 WeakPolarHBondContact O-CB 2.97Å; G46-A49 PolarHBondContact O-N 3.42Å
47H96.1Very high94.7Very high14 Ų1434 Ų347%0.06518%0.18CC..THydrogen-bonded Turntrans-63.4-23.4177.2-69.8-15.4000113.2K43 V44 I45 K210 K216K43-H47 VanDerWaalsContact O-CG 3.25Å; K43-H47 PolarHBondContact O-N 2.81Å; K43-H47 PolarHBondContact O-ND1 3.37Å; V44-H47 WeakPolarHBondContact O-CB 3.46Å; V44-H47 PolarHBondContact O-N 3.43Å; I45-H47 PolarHBondContact O-N 2.94Å; I45-H47 VanDerWaalsContact O-N 3.13Å; H47-K210 HydrophobicContact CB-CG 3.77Å; H47-K210 VanDerWaalsContact O-CE 3.26Å; H47-K210 WeakPolarHBondContact O-CE 3.43Å; H47-K216 HydrophobicContact CB-CD 4.14Å; H47-K216 PolarHBondContact CE1-O 2.78Å; H47-K216 PolarHBondContact NE2-O 3.46Å; H47-K216 PolarHBondContact O-NZ 3.17Å
48Y97.2Very high94.8Very high10 Ų1027.3 Ų27.34%0.03915%0.152CC..THydrogen-bonded Turntrans-106.48.8177.2-62.7-80.5000113.8I45 G46 G50 Q51 D52 A53 A56 A209 K210I45-Y48 PolarHBondContact O-N 3.27Å; G46-Y48 PolarHBondContact O-N 2.87Å; Y48-G50 PolarHBondContact O-N 3.47Å; Y48-Q51 WeakPolarHBondContact O-CB 3.33Å; Y48-Q51 PolarHBondContact O-N 2.76Å; Y48-D52 WeakPolarHBondContact CD1-O 3.16Å; Y48-A53 HydrophobicContact CD1-CB 4.07Å; Y48-A53 HydrophobicContact CD2-CB 4.29Å; Y48-A53 HydrophobicContact CG-CB 3.79Å; Y48-A56 HydrophobicContact CE1-CB 4.02Å; Y48-A56 HydrophobicContact CE2-CB 3.62Å; Y48-A56 WeakPolarHBondContact OH-CB 3.37Å; Y48-A209 HydrophobicContact CE2-CB 3.82Å; Y48-A209 VanDerWaalsContact OH-C 3.26Å; Y48-A209 VanDerWaalsContact OH-CA 3.28Å; Y48-A209 WeakPolarHBondContact OH-CA 3.44Å; Y48-A209 PolarHBondContact OH-O 3Å; Y48-K210 HydrophobicContact CE1-CD 4.29Å
49A97.3Very high95Very high5 Ų526 Ų264%0.04115%0.146CC..THydrogen-bonded Turntrans-56.3130.9175.200000109.9Q15 R20 W21 G46 Q51Q15-A49 WeakPolarHBondContact CG-O 3.34Å; R20-A49 HydrophobicContact CB-CB 4.18Å; R20-A49 HydrophobicContact CG-CB 3.91Å; W21-A49 CarbonylContact O-C 3.6Å; W21-A49 WeakPolarHBondContact O-CA 3.4Å; G46-A49 WeakPolarHBondContact O-CB 2.97Å; G46-A49 PolarHBondContact O-N 3.42Å; A49-Q51 VanDerWaalsContact C-N 3.3Å; A49-Q51 PolarHBondContact O-N 3.42Å
50G97.3Very high95.2Very high0 Ų022.4 Ų22.40%012%0.118CC..THydrogen-bonded Turntrans65.821.9-173.900000115.5V11 W21 Y48V11-G50 WeakPolarHBondContact O-CA 3.49Å; W21-G50 PolarHBondContact O-N 3.42Å; Y48-G50 PolarHBondContact O-N 3.47Å
51Q97.2Very high95.4Very high14 Ų1423.9 Ų23.97%0.06512%0.118CC..EExtended strand (participates in β ladder)trans-138.6169.4-174.6-57.8-176.828.100112.8W8 V23 Y48 A49 D340 A342W8-Q51 VanDerWaalsContact CZ3-C 3.5Å; V23-Q51 PolarHBondContact N-O 2.96Å; Y48-Q51 WeakPolarHBondContact O-CB 3.33Å; Y48-Q51 PolarHBondContact O-N 2.76Å; A49-Q51 VanDerWaalsContact C-N 3.3Å; A49-Q51 PolarHBondContact O-N 3.42Å; Q51-D340 PolarHBondContact NE2-OD2 3.27Å; Q51-D340 PolarHBondContact OE1-OD2 3.25Å; Q51-A342 HydrophobicContact CG-CB 3.96Å
52D97.3Very high95.3Very high20 Ų2026.8 Ų26.811%0.10713%0.126CC..EExtended strand (participates in β ladder)trans-74.2123.8169.1-175.498.4000109.9W8 Y48 T54 I93W8-D52 HydrophobicContact CH2-CB 3.72Å; W8-D52 HydrophobicContact CZ2-CB 4.16Å; Y48-D52 WeakPolarHBondContact CD1-O 3.16Å; D52-T54 VanDerWaalsContact CG-OG1 3.3Å; D52-T54 PolarHBondContact OD1-OG1 2.89Å; D52-T54 WeakPolarHBondContact OD2-CA 3.44Å; D52-T54 WeakPolarHBondContact OD2-CB 3.36Å; D52-T54 PolarHBondContact OD2-N 2.82Å; D52-T54 PolarHBondContact OD2-OG1 2.69Å; D52-I93 HydrophobicContact CB-CD1 4.06Å
53A97.1Very high95.1Very high7 Ų724.4 Ų24.46%0.05812%0.124CC..  trans-110.68.4175.600000112I22 V23 I24 Y48 G55 A56 F57I22-A53 HydrophobicContact CB-CB 4.49Å; V23-A53 PolarHBondContact O-N 2.65Å; I24-A53 HydrophobicContact CG1-CB 4.02Å; Y48-A53 HydrophobicContact CD1-CB 4.07Å; Y48-A53 HydrophobicContact CD2-CB 4.29Å; Y48-A53 HydrophobicContact CG-CB 3.79Å; A53-G55 PolarHBondContact O-N 3.29Å; A53-A56 PolarHBondContact O-N 2.87Å; A53-F57 VanDerWaalsContact O-CB 3.3Å; A53-F57 WeakPolarHBondContact O-CB 3.45Å; A53-F57 PolarHBondContact O-N 2.86Å
54T96.4Very high94.9Very high3 Ų323.4 Ų23.42%0.01812%0.118CC..Hα-helixtrans-56.5-54.1-172.3-55.70000111.1I24 D25 D52 A56 F57 I58I24-T54 WeakPolarHBondContact CA-OG1 3.33Å; D25-T54 PolarHBondContact N-OG1 3.22Å; D52-T54 VanDerWaalsContact CG-OG1 3.3Å; D52-T54 PolarHBondContact OD1-OG1 2.89Å; D52-T54 WeakPolarHBondContact OD2-CA 3.44Å; D52-T54 WeakPolarHBondContact OD2-CB 3.36Å; D52-T54 PolarHBondContact OD2-N 2.82Å; D52-T54 PolarHBondContact OD2-OG1 2.69Å; T54-A56 VanDerWaalsContact C-N 3.33Å; T54-A56 PolarHBondContact O-N 3.48Å; T54-F57 PolarHBondContact O-N 3.36Å; T54-I58 HydrophobicContact CG2-CD1 3.82Å; T54-I58 VanDerWaalsContact O-CB 3.28Å; T54-I58 WeakPolarHBondContact O-CB 3.43Å; T54-I58 VanDerWaalsContact O-CG1 3.24Å; T54-I58 WeakPolarHBondContact O-CG1 3.48Å; T54-I58 PolarHBondContact O-N 3.44Å
55G95.6Very high94.7Very high11 Ų1130.5 Ų30.511%0.11315%0.15CC..Hα-helixtrans-60.1-4118000000113.1A53 I58 A59A53-G55 PolarHBondContact O-N 3.29Å; G55-I58 PolarHBondContact O-N 3.41Å; G55-A59 VanDerWaalsContact O-CB 3.25Å; G55-A59 WeakPolarHBondContact O-CB 3.16Å; G55-A59 PolarHBondContact O-N 2.92Å
56A96.1Very high94.6Very high4 Ų436.8 Ų36.83%0.03317%0.174CC..Hα-helixtrans-68.9-44.3178.900000112.6Y48 A53 T54 I58 A59 F60Y48-A56 HydrophobicContact CE1-CB 4.02Å; Y48-A56 HydrophobicContact CE2-CB 3.62Å; Y48-A56 WeakPolarHBondContact OH-CB 3.37Å; A53-A56 PolarHBondContact O-N 2.87Å; T54-A56 VanDerWaalsContact C-N 3.33Å; T54-A56 PolarHBondContact O-N 3.48Å; A56-I58 VanDerWaalsContact C-N 3.27Å; A56-I58 PolarHBondContact O-N 3.38Å; A56-A59 PolarHBondContact O-N 2.93Å; A56-F60 WeakPolarHBondContact O-CB 3.32Å; A56-F60 WeakPolarHBondContact O-CG 3.43Å; A56-F60 PolarHBondContact O-N 3.01Å
57F96Very high94.5Very high19 Ų1936.8 Ų36.88%0.08317%0.174CC..Hα-helixtrans-55.7-47.3175.7178.2-98.4000110.4I24 A53 T54 H61 A67 E68 L71I24-F57 HydrophobicContact CD1-CB 4.04Å; I24-F57 HydrophobicContact CD1-CD2 3.73Å; I24-F57 HydrophobicContact CD1-CE2 4.39Å; I24-F57 HydrophobicContact CD1-CG 3.92Å; I24-F57 HydrophobicContact CG1-CB 4.28Å; I24-F57 HydrophobicContact CG1-CG 4.5Å; I24-F57 HydrophobicContact CG2-CB 4.22Å; I24-F57 HydrophobicContact CG2-CD1 3.82Å; I24-F57 HydrophobicContact CG2-CE1 4.38Å; I24-F57 HydrophobicContact CG2-CG 3.99Å; A53-F57 VanDerWaalsContact O-CB 3.3Å; A53-F57 WeakPolarHBondContact O-CB 3.45Å; A53-F57 PolarHBondContact O-N 2.86Å; T54-F57 PolarHBondContact O-N 3.36Å; F57-H61 AromaticContact CD2-CE1 3.55Å; F57-H61 AromaticContact CD2-ND1 3.45Å; F57-H61 WeakPolarHBondContact CD2-ND1 3.39Å; F57-H61 AromaticContact CE2-CE1 3.9Å; F57-H61 AromaticContact CE2-ND1 3.8Å; F57-H61 AromaticContact CG-ND1 3.92Å; F57-H61 WeakPolarHBondContact O-CB 3.44Å; F57-H61 PolarHBondContact O-N 3Å; F57-H61 VanDerWaalsContact O-N 3.16Å; F57-H61 PolarHBondContact O-ND1 2.99Å; F57-A67 HydrophobicContact CE2-CB 3.79Å; F57-A67 HydrophobicContact CZ-CB 3.77Å; F57-E68 HydrophobicContact CE1-CG 4.24Å; F57-E68 HydrophobicContact CZ-CG 4.02Å; F57-L71 HydrophobicContact CE2-CD2 4.04Å; F57-L71 HydrophobicContact CZ-CD2 4.18Å
58I95Very high94.4Very high18 Ų1840.6 Ų40.69%0.09219%0.191CC..Hα-helixtrans-66.1-38.8179.8-78.7178.4000113.2T54 G55 A56 R64 H97 E101T54-I58 HydrophobicContact CG2-CD1 3.82Å; T54-I58 VanDerWaalsContact O-CB 3.28Å; T54-I58 WeakPolarHBondContact O-CB 3.43Å; T54-I58 VanDerWaalsContact O-CG1 3.24Å; T54-I58 WeakPolarHBondContact O-CG1 3.48Å; T54-I58 PolarHBondContact O-N 3.44Å; G55-I58 PolarHBondContact O-N 3.41Å; A56-I58 VanDerWaalsContact C-N 3.27Å; A56-I58 PolarHBondContact O-N 3.38Å; I58-R64 PolarHBondContact O-NE 3.28Å; I58-R64 PolarHBondContact O-NH2 3.22Å; I58-R64 VanDerWaalsContact O-NH2 3.07Å; I58-H97 WeakPolarHBondContact CD1-CE1 3.5Å; I58-E101 HydrophobicContact CD1-CG 4.37Å; I58-E101 WeakPolarHBondContact CG2-OE1 3.35Å
59A95.3Very high94.1Very high0 Ų047.6 Ų47.60%022%0.222CC..Hα-helixtrans-73.2-39.8-177.900000112.3G55 A56 W345 P379 T380G55-A59 VanDerWaalsContact O-CB 3.25Å; G55-A59 WeakPolarHBondContact O-CB 3.16Å; G55-A59 PolarHBondContact O-N 2.92Å; A56-A59 PolarHBondContact O-N 2.93Å; A59-W345 HydrophobicContact CB-CH2 3.67Å; A59-W345 HydrophobicContact CB-CZ2 3.62Å; A59-P379 HydrophobicContact CB-CG 4.08Å; A59-T380 WeakPolarHBondContact O-CG2 2.92Å
60F94.3Very high93.9Very high50 Ų5051.6 Ų51.622%0.21924%0.238CC..Hα-helixtrans-91.8-28.8-170.6-66.31.5000113.7V44 A56 K62 H208 A209 P379V44-F60 HydrophobicContact CG1-CE2 4.41Å; A56-F60 WeakPolarHBondContact O-CB 3.32Å; A56-F60 WeakPolarHBondContact O-CG 3.43Å; A56-F60 PolarHBondContact O-N 3.01Å; F60-K62 PolarHBondContact O-N 3.12Å; F60-H208 HydrophobicContact CE1-CB 3.76Å; F60-H208 HydrophobicContact CZ-CB 3.45Å; F60-H208 VanDerWaalsContact CZ-CB 3.45Å; F60-A209 HydrophobicContact CE2-CB 4.17Å; F60-A209 HydrophobicContact CZ-CB 4.36Å; F60-P379 HydrophobicContact CD1-CG 3.92Å; F60-P379 HydrophobicContact CE1-CG 4.07Å
61H93.1Very high93.6Very high52 Ų5251.9 Ų51.924%0.24124%0.24CC..  trans-91.3102.2-177.1-61.890.7000111.7H38 F57 N63 R64 A67H38-H61 AromaticContact NE2-NE2 3.85Å; F57-H61 AromaticContact CD2-CE1 3.55Å; F57-H61 AromaticContact CD2-ND1 3.45Å; F57-H61 WeakPolarHBondContact CD2-ND1 3.39Å; F57-H61 AromaticContact CE2-CE1 3.9Å; F57-H61 AromaticContact CE2-ND1 3.8Å; F57-H61 AromaticContact CG-ND1 3.92Å; F57-H61 WeakPolarHBondContact O-CB 3.44Å; F57-H61 PolarHBondContact O-N 3Å; F57-H61 VanDerWaalsContact O-N 3.16Å; F57-H61 PolarHBondContact O-ND1 2.99Å; H61-N63 VanDerWaalsContact C-N 3.32Å; H61-N63 PolarHBondContact O-N 3.29Å; H61-R64 HydrophobicContact CB-CG 4.47Å; H61-R64 WeakPolarHBondContact O-CG 3.49Å; H61-A67 HydrophobicContact CB-CB 4.21Å
62K88.7Confident93.4Very high81 Ų8154.9 Ų54.935%0.35226%0.262SS..SBendtrans-59.8-39.9174.1-170.5173.5-170.4163.60112.7F60 L172 F175 R176F60-K62 PolarHBondContact O-N 3.12Å; K62-L172 HydrophobicContact CD-CB 4.41Å; K62-L172 PolarHBondContact NZ-O 2.82Å; K62-F175 PolarHBondContact NZ-O 3.5Å; K62-R176 PolarHBondContact NZ-O 3.19Å
63N89.2Confident93.3Very high93 Ų9357.6 Ų57.650%0.49729%0.288SS..SBendtrans-109.890.9172.4-173.6-17.3000109.6H61 Q65 Y66 A67H61-N63 VanDerWaalsContact C-N 3.32Å; H61-N63 PolarHBondContact O-N 3.29Å; N63-Q65 PolarHBondContact OD1-N 3.36Å; N63-Y66 VanDerWaalsContact CG-CB 3.41Å; N63-Y66 PolarHBondContact O-N 3.44Å; N63-Y66 WeakPolarHBondContact OD1-CB 3.32Å; N63-Y66 PolarHBondContact OD1-N 3.37Å; N63-A67 PolarHBondContact O-N 2.97Å
64R90Very high93.2Very high59 Ų5959.5 Ų59.522%0.22329%0.294CS..Hα-helixtrans-65.5-43.4-178.6-62.6-175.8-170.5168.53.4112.4I58 H61 Y66 A67 E68 E101 R104I58-R64 PolarHBondContact O-NE 3.28Å; I58-R64 PolarHBondContact O-NH2 3.22Å; I58-R64 VanDerWaalsContact O-NH2 3.07Å; H61-R64 HydrophobicContact CB-CG 4.47Å; H61-R64 WeakPolarHBondContact O-CG 3.49Å; R64-Y66 PolarHBondContact O-N 3.27Å; R64-A67 CarbonylContact O-C 3.5Å; R64-A67 WeakPolarHBondContact O-CA 3.14Å; R64-A67 WeakPolarHBondContact O-CB 3.32Å; R64-A67 PolarHBondContact O-N 3.42Å; R64-E68 WeakPolarHBondContact O-CB 3.48Å; R64-E68 VanDerWaalsContact O-CG 3.28Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.15Å; R64-E101 IonicContact CZ-OE2 3.9Å; R64-E101 IonicContact NH1-OE1 3.52Å; R64-E101 IonicContact NH1-OE2 3.63Å; R64-E101 PolarHBondContact NH1-OE2 3.14Å; R64-E101 IonicContact NH2-OE1 3.63Å; R64-E101 IonicContact NH2-OE2 2.76Å; R64-R104 VanDerWaalsContact NH2-NE 3.18Å
65Q91.5Very high93.2Very high156 Ų15661.8 Ų61.873%0.72930%0.302SS*.Hα-helixtrans-58-39.3178.8-65.6175.75.400111.9N63 K69N63-Q65 PolarHBondContact OD1-N 3.36Å; Q65-K69 PolarHBondContact O-N 3.22Å; Q65-K69 VanDerWaalsContact O-N 3.17Å
66Y91.3Very high93.3Very high145 Ų14563.7 Ų63.757%0.56931%0.31SS*.Hα-helixtrans-64.9-45174.3-178.6-100.5000111.9N63 R64 K69 F70N63-Y66 VanDerWaalsContact CG-CB 3.41Å; N63-Y66 PolarHBondContact O-N 3.44Å; N63-Y66 WeakPolarHBondContact OD1-CB 3.32Å; N63-Y66 PolarHBondContact OD1-N 3.37Å; R64-Y66 PolarHBondContact O-N 3.27Å; Y66-K69 WeakPolarHBondContact O-CB 3.42Å; Y66-K69 PolarHBondContact O-N 2.95Å; Y66-F70 HydrophobicContact CD1-CE2 4.04Å; Y66-F70 HydrophobicContact CD2-CE2 4.22Å; Y66-F70 HydrophobicContact CE1-CD2 4.37Å; Y66-F70 AromaticContact CE1-CE2 3.55Å; Y66-F70 HydrophobicContact CE1-CE2 3.55Å; Y66-F70 HydrophobicContact CE1-CZ 4.29Å; Y66-F70 AromaticContact CE2-CE2 3.75Å; Y66-F70 HydrophobicContact CE2-CE2 3.75Å; Y66-F70 HydrophobicContact CE2-CZ 4.2Å; Y66-F70 HydrophobicContact CG-CE2 4.36Å; Y66-F70 AromaticContact CZ-CE2 3.39Å; Y66-F70 AromaticContact CZ-CZ 3.79Å; Y66-F70 WeakPolarHBondContact O-CD2 3.46Å
67A92.7Very high93.3Very high12 Ų1263.5 Ų63.510%0.09931%0.308CS..Hα-helixtrans-65-41.7177.400000112.3F57 H61 N63 R64 K69 F70 L71F57-A67 HydrophobicContact CE2-CB 3.79Å; F57-A67 HydrophobicContact CZ-CB 3.77Å; H61-A67 HydrophobicContact CB-CB 4.21Å; N63-A67 PolarHBondContact O-N 2.97Å; R64-A67 CarbonylContact O-C 3.5Å; R64-A67 WeakPolarHBondContact O-CA 3.14Å; R64-A67 WeakPolarHBondContact O-CB 3.32Å; R64-A67 PolarHBondContact O-N 3.42Å; A67-K69 VanDerWaalsContact C-N 3.26Å; A67-K69 PolarHBondContact O-N 3.14Å; A67-F70 PolarHBondContact O-N 3Å; A67-F70 VanDerWaalsContact O-N 3.1Å; A67-L71 PolarHBondContact O-N 2.87Å
68E93.2Very high93.4Very high94 Ų9465.6 Ų65.644%0.43932%0.32SS..Hα-helixtrans-58.4-35.6176.7-76164.5-167.400112.3F57 R64 F70 L71 S72F57-E68 HydrophobicContact CE1-CG 4.24Å; F57-E68 HydrophobicContact CZ-CG 4.02Å; R64-E68 WeakPolarHBondContact O-CB 3.48Å; R64-E68 VanDerWaalsContact O-CG 3.28Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.15Å; E68-F70 VanDerWaalsContact C-N 3.28Å; E68-F70 PolarHBondContact O-N 3Å; E68-L71 PolarHBondContact O-N 3.46Å; E68-S72 WeakPolarHBondContact O-CB 3.2Å; E68-S72 PolarHBondContact O-N 3.47Å; E68-S72 PolarHBondContact O-OG 2.99Å
69K92.3Very high93.4Very high156 Ų15665 Ų6568%0.67832%0.317SS*.Hα-helixtrans-59.4-37.4175.9-177.6178.8176.1178.60112.8Q65 Y66 A67 S72Q65-K69 PolarHBondContact O-N 3.22Å; Q65-K69 VanDerWaalsContact O-N 3.17Å; Y66-K69 WeakPolarHBondContact O-CB 3.42Å; Y66-K69 PolarHBondContact O-N 2.95Å; A67-K69 VanDerWaalsContact C-N 3.26Å; A67-K69 PolarHBondContact O-N 3.14Å; K69-S72 PolarHBondContact O-OG 2.89Å; K69-S72 VanDerWaalsContact O-OG 3.07Å
70F91.6Very high93.4Very high89 Ų8966.9 Ų66.939%0.3933%0.327SS..Hα-helixtrans-80.2-39.2175.8-64.2-87.4000111.2W34 Y66 A67 E68 S72 A73 Y74W34-F70 HydrophobicContact CZ2-CB 4.19Å; Y66-F70 HydrophobicContact CD1-CE2 4.04Å; Y66-F70 HydrophobicContact CD2-CE2 4.22Å; Y66-F70 HydrophobicContact CE1-CD2 4.37Å; Y66-F70 AromaticContact CE1-CE2 3.55Å; Y66-F70 HydrophobicContact CE1-CE2 3.55Å; Y66-F70 HydrophobicContact CE1-CZ 4.29Å; Y66-F70 AromaticContact CE2-CE2 3.75Å; Y66-F70 HydrophobicContact CE2-CE2 3.75Å; Y66-F70 HydrophobicContact CE2-CZ 4.2Å; Y66-F70 HydrophobicContact CG-CE2 4.36Å; Y66-F70 AromaticContact CZ-CE2 3.39Å; Y66-F70 AromaticContact CZ-CZ 3.79Å; Y66-F70 WeakPolarHBondContact O-CD2 3.46Å; A67-F70 PolarHBondContact O-N 3Å; A67-F70 VanDerWaalsContact O-N 3.1Å; E68-F70 VanDerWaalsContact C-N 3.28Å; E68-F70 PolarHBondContact O-N 3Å; F70-S72 VanDerWaalsContact C-N 3.31Å; F70-S72 PolarHBondContact O-N 3.16Å; F70-A73 PolarHBondContact O-N 3.24Å; F70-Y74 WeakPolarHBondContact O-CD2 3.17Å; F70-Y74 VanDerWaalsContact O-CE2 3.27Å; F70-Y74 WeakPolarHBondContact O-CE2 3.45Å
71L92.7Very high93.3Very high6 Ų666.2 Ų66.23%0.03133%0.325CS..Hα-helixtrans-64-35.4-178.1-174.165.2000112.2I24 Y29 F57 A67 E68 A73 Y74I24-L71 HydrophobicContact CB-CD2 4.43Å; I24-L71 HydrophobicContact CD1-CD1 4.17Å; I24-L71 HydrophobicContact CD1-CD2 3.62Å; I24-L71 HydrophobicContact CG2-CD2 4.43Å; Y29-L71 HydrophobicContact CD1-CD1 3.67Å; Y29-L71 HydrophobicContact CD1-CD2 4.36Å; Y29-L71 HydrophobicContact CD1-CG 3.61Å; Y29-L71 WeakPolarHBondContact CD1-O 3.38Å; Y29-L71 HydrophobicContact CD2-CD1 4.17Å; Y29-L71 HydrophobicContact CD2-CD2 4.37Å; Y29-L71 HydrophobicContact CD2-CG 4.36Å; Y29-L71 HydrophobicContact CE1-CD1 4.07Å; Y29-L71 HydrophobicContact CE1-CD2 3.93Å; Y29-L71 HydrophobicContact CE1-CG 3.47Å; Y29-L71 VanDerWaalsContact CE1-CG 3.47Å; Y29-L71 HydrophobicContact CE2-CD2 3.93Å; Y29-L71 HydrophobicContact CE2-CG 4.24Å; Y29-L71 HydrophobicContact CG-CD1 3.72Å; Y29-L71 HydrophobicContact CG-CG 4.06Å; F57-L71 HydrophobicContact CE2-CD2 4.04Å; F57-L71 HydrophobicContact CZ-CD2 4.18Å; A67-L71 PolarHBondContact O-N 2.87Å; E68-L71 PolarHBondContact O-N 3.46Å; L71-A73 PolarHBondContact O-N 3.31Å; L71-Y74 PolarHBondContact O-N 2.8Å
72S92.9Very high93.1Very high77 Ų7770.2 Ų70.254%0.53835%0.348SS..G310 helixtrans-59.9-27.8-178.666.50000114E68 K69 F70 Y74 Y75E68-S72 WeakPolarHBondContact O-CB 3.2Å; E68-S72 PolarHBondContact O-N 3.47Å; E68-S72 PolarHBondContact O-OG 2.99Å; K69-S72 PolarHBondContact O-OG 2.89Å; K69-S72 VanDerWaalsContact O-OG 3.07Å; F70-S72 VanDerWaalsContact C-N 3.31Å; F70-S72 PolarHBondContact O-N 3.16Å; S72-Y74 PolarHBondContact O-N 3.42Å; S72-Y75 PolarHBondContact O-N 3.27Å
73A93.8Very high93.2Very high77 Ų7766.6 Ų66.664%0.63633%0.333SS*.G310 helixtrans-68.2-14.917600000113.5F70 L71F70-A73 PolarHBondContact O-N 3.24Å; L71-A73 PolarHBondContact O-N 3.31Å
74Y95.3Very high93.3Very high47 Ų4767.1 Ų67.118%0.18434%0.341CS..G310 helixtrans-1114.1-176-59.5-67.8000113Y29 D30 S33 W34 F70 L71 S72Y29-Y74 CarbonylContact C-O 3.45Å; Y29-Y74 WeakPolarHBondContact CA-O 3.36Å; D30-Y74 PolarHBondContact N-O 3.13Å; D30-Y74 WeakPolarHBondContact O-CB 3.24Å; D30-Y74 WeakPolarHBondContact O-CD1 3.47Å; S33-Y74 WeakPolarHBondContact OG-CE1 3.37Å; W34-Y74 HydrophobicContact CB-CD1 4.13Å; W34-Y74 HydrophobicContact CB-CD2 4.11Å; W34-Y74 HydrophobicContact CB-CE1 3.65Å; W34-Y74 HydrophobicContact CB-CE2 3.61Å; W34-Y74 HydrophobicContact CB-CG 4.35Å; W34-Y74 AromaticContact CD1-CE2 3.34Å; W34-Y74 AromaticContact CD1-CZ 3.44Å; W34-Y74 VanDerWaalsContact CD1-CZ 3.44Å; W34-Y74 HydrophobicContact CD2-CD2 4.4Å; W34-Y74 AromaticContact CD2-CE2 3.99Å; W34-Y74 HydrophobicContact CD2-CE2 3.99Å; W34-Y74 HydrophobicContact CG-CD2 4.04Å; W34-Y74 HydrophobicContact CG-CE1 4.29Å; W34-Y74 AromaticContact CG-CE2 3.35Å; W34-Y74 HydrophobicContact CG-CE2 3.35Å; W34-Y74 AromaticContact CG-CZ 3.52Å; W34-Y74 AromaticContact NE1-CE2 3.92Å; F70-Y74 WeakPolarHBondContact O-CD2 3.17Å; F70-Y74 VanDerWaalsContact O-CE2 3.27Å; F70-Y74 WeakPolarHBondContact O-CE2 3.45Å; L71-Y74 PolarHBondContact O-N 2.8Å; S72-Y74 PolarHBondContact O-N 3.42Å
75Y96.6Very high93.3Very high51 Ų5171.6 Ų71.620%0.236%0.364CS..EExtended strand (participates in β ladder)trans-69.6129.4179.3172.6-99.3000111.1K3 K27 Y29 S72 G77 D78K3-Y75 HydrophobicContact CB-CE1 4.49Å; K3-Y75 HydrophobicContact CD-CE1 3.71Å; K3-Y75 WeakPolarHBondContact CD-OH 3.25Å; K3-Y75 HydrophobicContact CG-CE1 3.91Å; K27-Y75 HydrophobicContact CB-CD2 3.89Å; K27-Y75 HydrophobicContact CB-CE2 3.71Å; K27-Y75 HydrophobicContact CD-CD2 4.29Å; K27-Y75 HydrophobicContact CD-CE2 4.03Å; K27-Y75 HydrophobicContact CG-CD2 4.32Å; K27-Y75 HydrophobicContact CG-CE2 3.8Å; Y29-Y75 HydrophobicContact CD1-CD2 4.5Å; Y29-Y75 HydrophobicContact CE1-CD2 4.01Å; Y29-Y75 HydrophobicContact CE1-CG 4.35Å; S72-Y75 PolarHBondContact O-N 3.27Å; Y75-G77 WeakPolarHBondContact CE2-O 3.29Å; Y75-D78 WeakPolarHBondContact CE2-OD1 3.39Å; Y75-D78 PolarHBondContact OH-OD1 3.48Å; Y75-D78 PolarHBondContact OH-OD2 2.9Å
76I96.9Very high93.3Very high52 Ų5265 Ų6527%0.26734%0.335SS..EExtended strand (participates in β ladder)trans-118.2-18.6-178.858.8166.1000113.7G4 F6 W21 V28 D30G4-I76 PolarHBondContact N-O 3.39Å; F6-I76 HydrophobicContact CE2-CB 4.42Å; F6-I76 HydrophobicContact CE2-CD1 3.99Å; F6-I76 HydrophobicContact CE2-CG1 3.88Å; F6-I76 HydrophobicContact CZ-CD1 3.98Å; F6-I76 HydrophobicContact CZ-CG1 4.25Å; W21-I76 HydrophobicContact CD2-CD1 3.63Å; W21-I76 VanDerWaalsContact CE2-CD1 3.45Å; W21-I76 HydrophobicContact CE3-CD1 3.8Å; W21-I76 HydrophobicContact CG-CD1 4.33Å; W21-I76 HydrophobicContact CH2-CD1 3.69Å; W21-I76 HydrophobicContact CZ2-CD1 3.5Å; W21-I76 VanDerWaalsContact CZ2-CD1 3.5Å; W21-I76 HydrophobicContact CZ3-CD1 3.82Å; V28-I76 HydrophobicContact CB-CD1 4.46Å; V28-I76 HydrophobicContact CB-CG1 4.07Å; V28-I76 HydrophobicContact CG1-CD1 3.85Å; V28-I76 HydrophobicContact CG1-CG1 3.97Å; V28-I76 WeakPolarHBondContact O-CG1 3.37Å; V28-I76 PolarHBondContact O-N 2.83Å; D30-I76 HydrophobicContact CB-CD1 4.35Å; D30-I76 HydrophobicContact CB-CG2 3.92Å
77G97.5Very high93.3Very high0 Ų064.9 Ų64.90%034%0.337CS..EExtended strand (participates in β ladder)trans162.8-170.1179.300000112.8G4 V28 Y75G4-G77 CarbonylContact O-C 3.51Å; G4-G77 WeakPolarHBondContact O-CA 3.24Å; V28-G77 PolarHBondContact N-O 2.86Å; Y75-G77 WeakPolarHBondContact CE2-O 3.29Å
78D97Very high93.2Very high62 Ų6269.6 Ų69.633%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-107149.8-175.8-59.5-39.6000110.9G4 L5 F6 Y75G4-D78 PolarHBondContact O-N 3.4Å; L5-D78 WeakPolarHBondContact CA-O 3.18Å; L5-D78 HydrophobicContact CD1-CB 4.47Å; F6-D78 PolarHBondContact N-O 3.46Å; Y75-D78 WeakPolarHBondContact CE2-OD1 3.39Å; Y75-D78 PolarHBondContact OH-OD1 3.48Å; Y75-D78 PolarHBondContact OH-OD2 2.9Å
79L96.1Very high93.1Very high5 Ų567.2 Ų67.23%0.02635%0.35CS..EExtended strand (participates in β ladder)trans-79.4125.4173-178.976.5000108.8F6 W8 V11 V23 N26 V28 Q81F6-L79 CarbonylContact O-C 3.55Å; F6-L79 WeakPolarHBondContact O-CA 3.31Å; F6-L79 WeakPolarHBondContact O-CD1 3.5Å; W8-L79 HydrophobicContact CD2-CD1 4.18Å; W8-L79 HydrophobicContact CG-CD1 4.32Å; W8-L79 HydrophobicContact CH2-CD2 4.45Å; W8-L79 HydrophobicContact CZ2-CD1 4.42Å; W8-L79 HydrophobicContact CZ2-CD2 3.57Å; V11-L79 HydrophobicContact CG2-CD1 4.32Å; V23-L79 HydrophobicContact CG1-CB 4.38Å; V23-L79 HydrophobicContact CG1-CD2 4.02Å; V23-L79 HydrophobicContact CG2-CD1 4.39Å; N26-L79 WeakPolarHBondContact O-CB 3.31Å; N26-L79 PolarHBondContact O-N 3.4Å; V28-L79 HydrophobicContact CG2-CB 4.23Å; L79-Q81 PolarHBondContact O-N 3.3Å; L79-Q81 PolarHBondContact O-NE2 2.83Å
80D94.7Very high93.2Very high41 Ų4159.9 Ų59.922%0.21932%0.318CS..  trans-60.4104.9173.2-169.3-9000110.3L5 F6 D82 C83 N90L5-D80 HydrophobicContact CD1-CB 4.04Å; L5-D80 HydrophobicContact CD2-CB 4.28Å; L5-D80 HydrophobicContact CG-CB 3.9Å; F6-D80 WeakPolarHBondContact O-CB 3.43Å; F6-D80 PolarHBondContact O-N 3.38Å; D80-D82 VanDerWaalsContact C-N 3.29Å; D80-D82 PolarHBondContact OD1-N 3.02Å; D80-C83 HydrophobicContact CB-CB 4.02Å; D80-C83 PolarHBondContact OD1-N 3.32Å; D80-N90 PolarHBondContact O-ND2 3.04Å
81Q91.3Very high93.3Very high36 Ų3657 Ų5717%0.16831%0.309CS..SBendtrans-75.3-23.1178.3-65.8-59.9-66.400112.3N26 L79 N90N26-Q81 VanDerWaalsContact CG-CD 3.47Å; N26-Q81 PolarHBondContact OD1-NE2 3.11Å; N26-Q81 PolarHBondContact OD1-OE1 3.42Å; L79-Q81 PolarHBondContact O-N 3.3Å; L79-Q81 PolarHBondContact O-NE2 2.83Å; Q81-N90 PolarHBondContact O-ND2 3.42Å
82D90.1Very high93.3Very high136 Ų13660.3 Ų60.373%0.72732%0.323SS*.SBendtrans-100.4-5.9-171.6-64.8-44000113D80 P84D80-D82 VanDerWaalsContact C-N 3.29Å; D80-D82 PolarHBondContact OD1-N 3.02Å; D82-P84 VanDerWaalsContact O-CD 3.32Å; D82-P84 WeakPolarHBondContact O-CD 3.3Å; D82-P84 VanDerWaalsContact O-N 3.1Å
83C91.1Very high93.3Very high5 Ų557.5 Ų57.53%0.03430%0.302CS..  trans-47.7114.8172175.30000110.8N7 D80 E85 D86 K87N7-C83 HydrophobicContact CB-CB 4.2Å; D80-C83 HydrophobicContact CB-CB 4.02Å; D80-C83 PolarHBondContact OD1-N 3.32Å; C83-E85 VanDerWaalsContact C-N 3.27Å; C83-E85 PolarHBondContact O-N 3.32Å; C83-E85 PolarHBondContact SG-OE2 2.88Å; C83-D86 HydrophobicContact CB-CB 4.32Å; C83-D86 PolarHBondContact O-N 3.48Å; C83-K87 PolarHBondContact O-N 2.93Å
84P90.3Very high93.4Very high104 Ų10457.9 Ų57.968%0.67529%0.287SS*.THydrogen-bonded Turntrans-57.4-37.3-172.9-28.636.1000114D82 D86D82-P84 VanDerWaalsContact O-CD 3.32Å; D82-P84 WeakPolarHBondContact O-CD 3.3Å; D82-P84 VanDerWaalsContact O-N 3.1Å; P84-D86 VanDerWaalsContact C-N 3.27Å; P84-D86 PolarHBondContact O-N 3.22Å
85E91.1Very high93.4Very high152 Ų15259.1 Ų59.171%0.7129%0.294SS*.THydrogen-bonded Turntrans-65.9-30.4-179.4-62.175.9-164.100112.4C83C83-E85 VanDerWaalsContact C-N 3.27Å; C83-E85 PolarHBondContact O-N 3.32Å; C83-E85 PolarHBondContact SG-OE2 2.88Å
86D91.8Very high93.3Very high19 Ų1957.4 Ų57.410%0.10229%0.288CS..THydrogen-bonded Turntrans-105.4-7.5-172.5-70.5-38.2000113.6W8 C83 P84 N88 M89 N90W8-D86 VanDerWaalsContact CB-OD2 3.29Å; W8-D86 WeakPolarHBondContact CB-OD2 3.42Å; W8-D86 PolarHBondContact N-OD2 2.85Å; C83-D86 HydrophobicContact CB-CB 4.32Å; C83-D86 PolarHBondContact O-N 3.48Å; P84-D86 VanDerWaalsContact C-N 3.27Å; P84-D86 PolarHBondContact O-N 3.22Å; D86-N88 VanDerWaalsContact C-N 3.31Å; D86-N88 PolarHBondContact O-N 2.89Å; D86-N88 VanDerWaalsContact O-N 3.12Å; D86-M89 PolarHBondContact O-N 3.42Å; D86-N90 PolarHBondContact O-N 2.65Å
87K91.1Very high93.2Very high142 Ų14256.9 Ų56.962%0.61728%0.284SS*.Hα-helixtrans-48.4-45.1-173.1-172173.9-175.5172.10114.2C83 S91C83-K87 PolarHBondContact O-N 2.93Å; K87-S91 WeakPolarHBondContact O-CB 2.9Å; K87-S91 PolarHBondContact O-N 2.87Å
88N90.8Very high93.2Very high110 Ų11061.9 Ų61.959%0.58831%0.307SS*.Hα-helixtrans-67.9-39.2179.7178.945000112.5D86 K92D86-N88 VanDerWaalsContact C-N 3.31Å; D86-N88 PolarHBondContact O-N 2.89Å; D86-N88 VanDerWaalsContact O-N 3.12Å; N88-K92 WeakPolarHBondContact O-CG 3.49Å; N88-K92 PolarHBondContact O-N 3.5Å; N88-K92 WeakPolarHBondContact OD1-CE 3.34Å
89M91.2Very high93.2Very high44 Ų4460.5 Ų60.522%0.21730%0.3CS..Hα-helixtrans-70.9-46.1178.5-172.9172.264.300110.6W8 D86 S91 K92 I93W8-M89 HydrophobicContact CB-CE 3.98Å; W8-M89 HydrophobicContact CD2-CE 3.53Å; W8-M89 HydrophobicContact CE3-CE 4.49Å; W8-M89 HydrophobicContact CG-CE 3.25Å; W8-M89 HydrophobicContact CZ2-CE 4.43Å; W8-M89 VanDerWaalsContact NE1-CE 3.26Å; D86-M89 PolarHBondContact O-N 3.42Å; M89-S91 VanDerWaalsContact C-N 3.35Å; M89-S91 PolarHBondContact O-N 3.44Å; M89-K92 PolarHBondContact O-N 3.29Å; M89-I93 HydrophobicContact CG-CD1 3.9Å; M89-I93 WeakPolarHBondContact O-CG1 3.33Å; M89-I93 PolarHBondContact O-N 2.94Å
90N93.4Very high93.2Very high3 Ų361 Ų612%0.01630%0.302CS..Hα-helixtrans-57.8-45.5175.7-71.1-13.7000111.5W8 D80 Q81 D86 K92 I93 R94W8-N90 PolarHBondContact NE1-OD1 3.5Å; D80-N90 PolarHBondContact O-ND2 3.04Å; Q81-N90 PolarHBondContact O-ND2 3.42Å; D86-N90 PolarHBondContact O-N 2.65Å; N90-K92 PolarHBondContact O-N 3.09Å; N90-I93 PolarHBondContact O-N 2.99Å; N90-R94 VanDerWaalsContact O-CB 3.29Å; N90-R94 WeakPolarHBondContact O-CB 3.33Å; N90-R94 PolarHBondContact O-N 3.35Å
91S93.1Very high93.3Very high29 Ų2960.4 Ų60.420%0.20330%0.298CS..Hα-helixtrans-59.5-47.4177.5-156.40000111.9K87 M89 R94 E95K87-S91 WeakPolarHBondContact O-CB 2.9Å; K87-S91 PolarHBondContact O-N 2.87Å; M89-S91 VanDerWaalsContact C-N 3.35Å; M89-S91 PolarHBondContact O-N 3.44Å; S91-R94 PolarHBondContact O-N 2.88Å; S91-R94 PolarHBondContact OG-NH2 2.93Å; S91-E95 VanDerWaalsContact O-CB 3.3Å; S91-E95 WeakPolarHBondContact O-CB 3.35Å; S91-E95 VanDerWaalsContact O-CG 3.23Å; S91-E95 WeakPolarHBondContact O-CG 3.26Å; S91-E95 PolarHBondContact O-N 2.87Å; S91-E95 PolarHBondContact OG-OE1 2.99Å
92K93.1Very high93.6Very high74 Ų7461.7 Ų61.732%0.32231%0.311SS..Hα-helixtrans-65-42.8179.8-73.2176.4-177.8175.10112.9N88 M89 N90 R94 Y96 P344N88-K92 WeakPolarHBondContact O-CG 3.49Å; N88-K92 PolarHBondContact O-N 3.5Å; N88-K92 WeakPolarHBondContact OD1-CE 3.34Å; M89-K92 PolarHBondContact O-N 3.29Å; N90-K92 PolarHBondContact O-N 3.09Å; K92-R94 VanDerWaalsContact C-N 3.34Å; K92-Y96 HydrophobicContact CB-CE2 4.4Å; K92-Y96 WeakPolarHBondContact O-CB 3.21Å; K92-Y96 WeakPolarHBondContact O-CD2 3.4Å; K92-Y96 PolarHBondContact O-N 3.4Å; K92-P344 HydrophobicContact CB-CG 4.39Å
93I93.7Very high93.9Very high18 Ų1856 Ų569%0.09228%0.281CS..Hα-helixtrans-59.5-49.5176.5-69.7169.6000109.4W8 D52 M89 N90 H97 P344W8-I93 HydrophobicContact CZ2-CD1 4.08Å; D52-I93 HydrophobicContact CB-CD1 4.06Å; M89-I93 HydrophobicContact CG-CD1 3.9Å; M89-I93 WeakPolarHBondContact O-CG1 3.33Å; M89-I93 PolarHBondContact O-N 2.94Å; N90-I93 PolarHBondContact O-N 2.99Å; I93-H97 WeakPolarHBondContact O-CB 3.4Å; I93-H97 PolarHBondContact O-N 3.02Å; I93-P344 HydrophobicContact CG1-CB 4.08Å; I93-P344 HydrophobicContact CG1-CG 3.97Å
94R94.3Very high94.2Very high86 Ų8656.5 Ų56.533%0.32528%0.282SS..Hα-helixtrans-60-52.3179.2-179175.661.7-129.2-2.3112.1N90 S91 K92 Y96 H97 E98N90-R94 VanDerWaalsContact O-CB 3.29Å; N90-R94 WeakPolarHBondContact O-CB 3.33Å; N90-R94 PolarHBondContact O-N 3.35Å; S91-R94 PolarHBondContact O-N 2.88Å; S91-R94 PolarHBondContact OG-NH2 2.93Å; K92-R94 VanDerWaalsContact C-N 3.34Å; R94-Y96 PolarHBondContact O-N 3.25Å; R94-H97 PolarHBondContact O-N 2.53Å; R94-E98 WeakPolarHBondContact CD-OE1 3.12Å; R94-E98 HydrophobicContact CG-CG 4.24Å; R94-E98 WeakPolarHBondContact CG-OE1 3.28Å; R94-E98 WeakPolarHBondContact O-CB 3.41Å; R94-E98 WeakPolarHBondContact O-CG 3.16Å; R94-E98 PolarHBondContact O-N 3.09Å
95E95.6Very high94.5Very high72 Ų7257.6 Ų57.634%0.33628%0.276SS..Hα-helixtrans-57.9-49.7-179.1-77.4169.3-138.300112.2S91 H97 D99 Y400S91-E95 VanDerWaalsContact O-CB 3.3Å; S91-E95 WeakPolarHBondContact O-CB 3.35Å; S91-E95 VanDerWaalsContact O-CG 3.23Å; S91-E95 WeakPolarHBondContact O-CG 3.26Å; S91-E95 PolarHBondContact O-N 2.87Å; S91-E95 PolarHBondContact OG-OE1 2.99Å; E95-H97 VanDerWaalsContact C-N 3.3Å; E95-H97 PolarHBondContact O-N 3.27Å; E95-D99 PolarHBondContact O-N 3.14Å; E95-Y400 HydrophobicContact CB-CE1 4.28Å; E95-Y400 WeakPolarHBondContact CB-OH 3.36Å; E95-Y400 PolarHBondContact O-OH 3.28Å
96Y95.9Very high94.8Very high16 Ų1653.6 Ų53.66%0.06326%0.259CS..Hα-helixtrans-62.6-39.7177.3-63.9-17.8000112K92 R94 L100 P344 F346 R347 Y400 L402K92-Y96 HydrophobicContact CB-CE2 4.4Å; K92-Y96 WeakPolarHBondContact O-CB 3.21Å; K92-Y96 WeakPolarHBondContact O-CD2 3.4Å; K92-Y96 PolarHBondContact O-N 3.4Å; R94-Y96 PolarHBondContact O-N 3.25Å; Y96-L100 VanDerWaalsContact O-CB 3.29Å; Y96-L100 WeakPolarHBondContact O-CB 2.98Å; Y96-L100 WeakPolarHBondContact O-CG 3.31Å; Y96-L100 PolarHBondContact O-N 2.93Å; Y96-P344 HydrophobicContact CD2-CB 3.68Å; Y96-P344 HydrophobicContact CD2-CG 4.34Å; Y96-P344 HydrophobicContact CE2-CB 3.9Å; Y96-P344 HydrophobicContact CE2-CG 4.16Å; Y96-F346 HydrophobicContact CD1-CD1 4.09Å; Y96-F346 HydrophobicContact CD2-CB 4.08Å; Y96-F346 HydrophobicContact CD2-CD1 4.06Å; Y96-F346 HydrophobicContact CE1-CD1 4.5Å; Y96-F346 HydrophobicContact CE2-CD1 4.47Å; Y96-F346 HydrophobicContact CG-CB 4.27Å; Y96-F346 AromaticContact CG-CD1 3.86Å; Y96-F346 HydrophobicContact CG-CD1 3.86Å; Y96-R347 HydrophobicContact CE2-CB 4.41Å; Y96-Y400 HydrophobicContact CD1-CD1 4.12Å; Y96-Y400 AromaticContact CD1-CD2 3.76Å; Y96-Y400 HydrophobicContact CD1-CD2 3.76Å; Y96-Y400 AromaticContact CD1-CE1 3.98Å; Y96-Y400 HydrophobicContact CD1-CE1 3.98Å; Y96-Y400 AromaticContact CD1-CE2 3.63Å; Y96-Y400 HydrophobicContact CD1-CE2 3.63Å; Y96-Y400 HydrophobicContact CD1-CG 4.01Å; Y96-Y400 AromaticContact CD1-CZ 3.75Å; Y96-Y400 AromaticContact CE1-CD1 3.55Å; Y96-Y400 HydrophobicContact CE1-CD1 3.55Å; Y96-Y400 AromaticContact CE1-CD2 3.71Å; Y96-Y400 HydrophobicContact CE1-CD2 3.71Å; Y96-Y400 AromaticContact CE1-CE1 3.82Å; Y96-Y400 HydrophobicContact CE1-CE1 3.82Å; Y96-Y400 AromaticContact CE1-CE2 3.99Å; Y96-Y400 HydrophobicContact CE1-CE2 3.99Å; Y96-Y400 AromaticContact CE1-CG 3.48Å; Y96-Y400 HydrophobicContact CE1-CG 3.48Å; Y96-Y400 VanDerWaalsContact CE1-CG 3.48Å; Y96-L402 HydrophobicContact CE1-CD1 4.48Å
97H94.9Very high95.1Very high41 Ų4152.7 Ų52.719%0.1925%0.254CS..Hα-helixtrans-67.3-47.5-178.8176.541.2000112I58 I93 R94 E95 D99 L100 E101I58-H97 WeakPolarHBondContact CD1-CE1 3.5Å; I93-H97 WeakPolarHBondContact O-CB 3.4Å; I93-H97 PolarHBondContact O-N 3.02Å; R94-H97 PolarHBondContact O-N 2.53Å; E95-H97 VanDerWaalsContact C-N 3.3Å; E95-H97 PolarHBondContact O-N 3.27Å; H97-D99 PolarHBondContact O-N 2.89Å; H97-L100 PolarHBondContact O-N 3.47Å; H97-E101 WeakPolarHBondContact CE1-CG 2.84Å; H97-E101 WeakPolarHBondContact O-CB 3.4Å; H97-E101 WeakPolarHBondContact O-CG 3.43Å; H97-E101 PolarHBondContact O-N 3.23Å
98E96.3Very high95.3Very high104 Ų10450.5 Ų50.549%0.48625%0.249SC..Hα-helixtrans-61.8-43.5-179.9-74.5173.8178.500112R94 S102R94-E98 WeakPolarHBondContact CD-OE1 3.12Å; R94-E98 HydrophobicContact CG-CG 4.24Å; R94-E98 WeakPolarHBondContact CG-OE1 3.28Å; R94-E98 WeakPolarHBondContact O-CB 3.41Å; R94-E98 WeakPolarHBondContact O-CG 3.16Å; R94-E98 PolarHBondContact O-N 3.09Å; E98-S102 WeakPolarHBondContact O-CB 3.34Å; E98-S102 PolarHBondContact O-N 3.05Å; E98-S102 PolarHBondContact O-OG 3.41Å
99D97.4Very high95.6Very high34 Ų3452.9 Ų52.918%0.18226%0.256CS..Hα-helixtrans-66.4-46.2176.7-85.2-0.7000112.1E95 H97 E101 S102 I103 L396 K399 Y400E95-D99 PolarHBondContact O-N 3.14Å; H97-D99 PolarHBondContact O-N 2.89Å; D99-E101 VanDerWaalsContact C-N 3.31Å; D99-E101 PolarHBondContact O-N 2.87Å; D99-S102 WeakPolarHBondContact O-CB 3.4Å; D99-S102 PolarHBondContact O-N 3.22Å; D99-I103 WeakPolarHBondContact O-CG1 3.04Å; D99-I103 PolarHBondContact O-N 2.88Å; D99-L396 HydrophobicContact CB-CD1 3.53Å; D99-L396 VanDerWaalsContact OD2-CD1 3.22Å; D99-L396 WeakPolarHBondContact OD2-CD1 3.37Å; D99-K399 IonicContact OD1-NZ 3.81Å; D99-K399 PolarHBondContact OD1-NZ 3.39Å; D99-K399 WeakPolarHBondContact OD2-CD 3.45Å; D99-K399 WeakPolarHBondContact OD2-CE 3.05Å; D99-K399 IonicContact OD2-NZ 3.85Å; D99-K399 PolarHBondContact OD2-NZ 3.23Å; D99-Y400 VanDerWaalsContact OD2-CE2 3.25Å; D99-Y400 WeakPolarHBondContact OD2-CE2 3.3Å; D99-Y400 PolarHBondContact OD2-OH 3.01Å
100L96.5Very high95.9Very high15 Ų1555 Ų558%0.07927%0.265CS..Hα-helixtrans-62.8-38.2177.7-81.8174.2000112Y96 H97 R104 W345 F346 F378 L396Y96-L100 VanDerWaalsContact O-CB 3.29Å; Y96-L100 WeakPolarHBondContact O-CB 2.98Å; Y96-L100 WeakPolarHBondContact O-CG 3.31Å; Y96-L100 PolarHBondContact O-N 2.93Å; H97-L100 PolarHBondContact O-N 3.47Å; L100-R104 VanDerWaalsContact O-CB 3.31Å; L100-R104 WeakPolarHBondContact O-CB 3.41Å; L100-R104 PolarHBondContact O-N 3.08Å; L100-W345 HydrophobicContact CD1-CZ3 4.32Å; L100-F346 HydrophobicContact CD1-CB 3.9Å; L100-F346 HydrophobicContact CD1-CD2 3.71Å; L100-F346 HydrophobicContact CD1-CE2 4.48Å; L100-F346 HydrophobicContact CD1-CG 3.97Å; L100-F346 HydrophobicContact CD2-CD2 4.19Å; L100-F346 HydrophobicContact CD2-CE2 4.19Å; L100-F346 HydrophobicContact CG-CD2 4.29Å; L100-F378 HydrophobicContact CD2-CZ 4.18Å; L100-L396 HydrophobicContact CD2-CD2 3.53Å; L100-L396 HydrophobicContact CG-CD2 3.81Å
101E95.6Very high96Very high29 Ų2963.4 Ų63.414%0.13630%0.297CS..Hα-helixtrans-70.4-35.3175.2-77.6-57.1106.200112.3I58 R64 H97 D99 R104 K105I58-E101 HydrophobicContact CD1-CG 4.37Å; I58-E101 WeakPolarHBondContact CG2-OE1 3.35Å; R64-E101 IonicContact CZ-OE2 3.9Å; R64-E101 IonicContact NH1-OE1 3.52Å; R64-E101 IonicContact NH1-OE2 3.63Å; R64-E101 PolarHBondContact NH1-OE2 3.14Å; R64-E101 IonicContact NH2-OE1 3.63Å; R64-E101 IonicContact NH2-OE2 2.76Å; H97-E101 WeakPolarHBondContact CE1-CG 2.84Å; H97-E101 WeakPolarHBondContact O-CB 3.4Å; H97-E101 WeakPolarHBondContact O-CG 3.43Å; H97-E101 PolarHBondContact O-N 3.23Å; D99-E101 VanDerWaalsContact C-N 3.31Å; D99-E101 PolarHBondContact O-N 2.87Å; E101-R104 PolarHBondContact O-N 3.32Å; E101-R104 WeakPolarHBondContact OE1-CD 3.44Å; E101-R104 IonicContact OE1-NE 3.82Å; E101-R104 PolarHBondContact OE1-NE 3.05Å; E101-K105 VanDerWaalsContact O-CG 3.31Å; E101-K105 WeakPolarHBondContact O-CG 3.15Å; E101-K105 PolarHBondContact O-N 3.41Å
102S97.4Very high96.2Very high62 Ų6262.8 Ų62.843%0.43429%0.291SS..Hα-helixtrans-62.8-45.5173.4-620000111.1E98 D99 K105 I106E98-S102 WeakPolarHBondContact O-CB 3.34Å; E98-S102 PolarHBondContact O-N 3.05Å; E98-S102 PolarHBondContact O-OG 3.41Å; D99-S102 WeakPolarHBondContact O-CB 3.4Å; D99-S102 PolarHBondContact O-N 3.22Å; S102-K105 PolarHBondContact O-N 3.23Å; S102-I106 WeakPolarHBondContact O-CG1 3.21Å; S102-I106 PolarHBondContact O-N 2.7Å
103I97.7Very high96.4Very high18 Ų1860.6 Ų60.69%0.09228%0.282CS..Hα-helixtrans-58.5-51.5171.2-69.4168.1000109.6D99 K105 I106 L107 F378 Y392 L396D99-I103 WeakPolarHBondContact O-CG1 3.04Å; D99-I103 PolarHBondContact O-N 2.88Å; I103-K105 VanDerWaalsContact C-N 3.28Å; I103-K105 PolarHBondContact O-N 3.05Å; I103-I106 WeakPolarHBondContact O-CA 3.5Å; I103-I106 WeakPolarHBondContact O-CB 3.26Å; I103-I106 PolarHBondContact O-N 2.82Å; I103-L107 HydrophobicContact CG2-CD1 3.71Å; I103-L107 HydrophobicContact CG2-CG 4Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.39Å; I103-L107 PolarHBondContact O-N 3.26Å; I103-F378 HydrophobicContact CG2-CZ 4.18Å; I103-Y392 HydrophobicContact CG2-CG 4.38Å; I103-L396 HydrophobicContact CD1-CB 4.19Å; I103-L396 HydrophobicContact CD1-CD1 4.48Å; I103-L396 HydrophobicContact CD1-CD2 3.95Å; I103-L396 HydrophobicContact CD1-CG 4.45Å
104R96.8Very high96.4Very high14 Ų1462.2 Ų62.25%0.05329%0.291CS..Hα-helixtrans-57.1-39.4-178.4-175.1179.1-71.4-86.6-1.1112.8R64 L100 E101 I106 L107 L108 F113 L377 F378R64-R104 VanDerWaalsContact NH2-NE 3.18Å; L100-R104 VanDerWaalsContact O-CB 3.31Å; L100-R104 WeakPolarHBondContact O-CB 3.41Å; L100-R104 PolarHBondContact O-N 3.08Å; E101-R104 PolarHBondContact O-N 3.32Å; E101-R104 WeakPolarHBondContact OE1-CD 3.44Å; E101-R104 IonicContact OE1-NE 3.82Å; E101-R104 PolarHBondContact OE1-NE 3.05Å; R104-I106 VanDerWaalsContact C-N 3.35Å; R104-L107 PolarHBondContact O-N 3.41Å; R104-L108 HydrophobicContact CG-CD1 4.07Å; R104-L108 HydrophobicContact CG-CG 4.4Å; R104-L108 WeakPolarHBondContact O-CB 3.5Å; R104-L108 WeakPolarHBondContact O-CG 3.49Å; R104-L108 PolarHBondContact O-N 3.4Å; R104-F113 HydrophobicContact CG-CE2 4.16Å; R104-F113 HydrophobicContact CG-CZ 4.12Å; R104-F113 VanDerWaalsContact NH1-CZ 3.31Å; R104-L377 PolarHBondContact NH2-O 3.17Å; R104-F378 HydrophobicContact CB-CE1 4.42Å
105K96.9Very high96.5Very high128 Ų12859.1 Ų59.156%0.55729%0.285SS*.Hα-helixtrans-59.6-44.5175.1-75.3171.2-174.7173.70111.5E101 S102 I103 L108 Q109E101-K105 VanDerWaalsContact O-CG 3.31Å; E101-K105 WeakPolarHBondContact O-CG 3.15Å; E101-K105 PolarHBondContact O-N 3.41Å; S102-K105 PolarHBondContact O-N 3.23Å; I103-K105 VanDerWaalsContact C-N 3.28Å; I103-K105 PolarHBondContact O-N 3.05Å; K105-L108 PolarHBondContact O-N 3.28Å; K105-Q109 WeakPolarHBondContact O-CG 3.26Å; K105-Q109 PolarHBondContact O-N 3.28Å
106I97.7Very high96.6Very high67 Ų6757.8 Ų57.834%0.34428%0.284SS..Hα-helixtrans-61.1-47.3175.1-62.9165.1000110.3S102 I103 R104 L108 Q109 Q110 Y392S102-I106 WeakPolarHBondContact O-CG1 3.21Å; S102-I106 PolarHBondContact O-N 2.7Å; I103-I106 WeakPolarHBondContact O-CA 3.5Å; I103-I106 WeakPolarHBondContact O-CB 3.26Å; I103-I106 PolarHBondContact O-N 2.82Å; R104-I106 VanDerWaalsContact C-N 3.35Å; I106-L108 VanDerWaalsContact C-N 3.31Å; I106-L108 PolarHBondContact O-N 2.89Å; I106-Q109 WeakPolarHBondContact O-CB 3.23Å; I106-Q109 PolarHBondContact O-N 2.92Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; I106-Q110 WeakPolarHBondContact O-CG 3.35Å; I106-Q110 PolarHBondContact O-N 3Å; I106-Y392 HydrophobicContact CG2-CE1 4.32Å
107L97.3Very high96.5Very high0 Ų066.1 Ų66.10%032%0.32CS..Hα-helixtrans-63.6-35.4-179.7-58.5177.9000112.5I103 R104 R111 L112 F113 F378 M381 V389 Y392I103-L107 HydrophobicContact CG2-CD1 3.71Å; I103-L107 HydrophobicContact CG2-CG 4Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.39Å; I103-L107 PolarHBondContact O-N 3.26Å; R104-L107 PolarHBondContact O-N 3.41Å; L107-R111 PolarHBondContact O-N 3.19Å; L107-L112 HydrophobicContact CB-CD1 4.46Å; L107-L112 HydrophobicContact CD2-CD1 3.66Å; L107-L112 PolarHBondContact O-N 3.48Å; L107-F113 HydrophobicContact CB-CD2 4.45Å; L107-F113 HydrophobicContact CB-CE2 3.75Å; L107-F378 HydrophobicContact CD1-CD1 4.32Å; L107-F378 HydrophobicContact CD1-CE1 3.97Å; L107-F378 HydrophobicContact CD1-CE2 4.44Å; L107-F378 HydrophobicContact CD1-CZ 4.04Å; L107-M381 HydrophobicContact CB-CE 4.27Å; L107-M381 HydrophobicContact CD1-CE 3.83Å; L107-V389 HydrophobicContact CD1-CG1 3.85Å; L107-V389 HydrophobicContact CD1-CG2 3.95Å; L107-V389 HydrophobicContact CD2-CG2 3.78Å; L107-V389 HydrophobicContact CG-CG2 4.48Å; L107-Y392 HydrophobicContact CD2-CD2 4.24Å; L107-Y392 HydrophobicContact CD2-CE2 4.23Å
108L95.6Very high96.7Very high97 Ų9770.7 Ų70.751%0.50835%0.345SS..Hα-helixtrans-67.3-42.5173.2-76.6165.7000111.9R104 K105 I106 Q110 R111 F113R104-L108 HydrophobicContact CG-CD1 4.07Å; R104-L108 HydrophobicContact CG-CG 4.4Å; R104-L108 WeakPolarHBondContact O-CB 3.5Å; R104-L108 WeakPolarHBondContact O-CG 3.49Å; R104-L108 PolarHBondContact O-N 3.4Å; K105-L108 PolarHBondContact O-N 3.28Å; I106-L108 VanDerWaalsContact C-N 3.31Å; I106-L108 PolarHBondContact O-N 2.89Å; L108-Q110 VanDerWaalsContact C-N 3.28Å; L108-Q110 PolarHBondContact O-N 3.33Å; L108-R111 WeakPolarHBondContact O-CA 3.25Å; L108-R111 PolarHBondContact O-N 2.86Å; L108-F113 HydrophobicContact CD2-CB 4.36Å; L108-F113 HydrophobicContact CD2-CD2 3.55Å; L108-F113 HydrophobicContact CD2-CE2 4.11Å; L108-F113 HydrophobicContact CD2-CG 4.13Å; L108-F113 HydrophobicContact CG-CD2 3.86Å; L108-F113 HydrophobicContact CG-CE2 3.98Å
109Q97.2Very high96.7Very high160 Ų16067.8 Ų67.875%0.74833%0.331SS*.Hα-helixtrans-61.8-37.5175.5-72.9172.6-900111.8K105 I106 R111K105-Q109 WeakPolarHBondContact O-CG 3.26Å; K105-Q109 PolarHBondContact O-N 3.28Å; I106-Q109 WeakPolarHBondContact O-CB 3.23Å; I106-Q109 PolarHBondContact O-N 2.92Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; Q109-R111 PolarHBondContact O-N 3.29Å
110Q96.8Very high96.8Very high87 Ų8766.4 Ų66.441%0.40732%0.323SS..THydrogen-bonded Turntrans-74.8-1.3173.4-68.6175.8-19.500113.7I106 L108 L112 Y392I106-Q110 WeakPolarHBondContact O-CG 3.35Å; I106-Q110 PolarHBondContact O-N 3Å; L108-Q110 VanDerWaalsContact C-N 3.28Å; L108-Q110 PolarHBondContact O-N 3.33Å; Q110-L112 HydrophobicContact CB-CD1 4.15Å; Q110-L112 HydrophobicContact CB-CD2 4.44Å; Q110-L112 HydrophobicContact CB-CG 3.8Å; Q110-L112 PolarHBondContact O-N 3.25Å; Q110-L112 VanDerWaalsContact OE1-CD1 3.28Å; Q110-Y392 PolarHBondContact NE2-OH 3.41Å
111R96.5Very high96.8Very high181 Ų18167.4 Ų67.468%0.68334%0.337SS*.THydrogen-bonded Turntrans57.828.4-177.5-57.3-176.5172.6176-1.9114L107 L108 Q109 F113 D114L107-R111 PolarHBondContact O-N 3.19Å; L108-R111 WeakPolarHBondContact O-CA 3.25Å; L108-R111 PolarHBondContact O-N 2.86Å; Q109-R111 PolarHBondContact O-N 3.29Å; R111-F113 PolarHBondContact O-N 3.33Å; R111-D114 WeakPolarHBondContact O-CB 3.31Å; R111-D114 PolarHBondContact O-N 3.15Å
112L97.3Very high97Very high15 Ų1569.7 Ų69.78%0.07935%0.353CS..THydrogen-bonded Turntrans-71.4-10.7-178.6-62.4-179.3000113.7L107 Q110 M381 P382 N385 I388 V389L107-L112 HydrophobicContact CB-CD1 4.46Å; L107-L112 HydrophobicContact CD2-CD1 3.66Å; L107-L112 PolarHBondContact O-N 3.48Å; Q110-L112 HydrophobicContact CB-CD1 4.15Å; Q110-L112 HydrophobicContact CB-CD2 4.44Å; Q110-L112 HydrophobicContact CB-CG 3.8Å; Q110-L112 PolarHBondContact O-N 3.25Å; Q110-L112 VanDerWaalsContact OE1-CD1 3.28Å; L112-M381 HydrophobicContact CB-CE 4.05Å; L112-M381 WeakPolarHBondContact O-CG 3.44Å; L112-P382 WeakPolarHBondContact O-CD 3.13Å; L112-N385 HydrophobicContact CB-CB 4.3Å; L112-N385 HydrophobicContact CD2-CB 4.32Å; L112-N385 PolarHBondContact O-ND2 3.02Å; L112-I388 HydrophobicContact CD1-CB 4.2Å; L112-I388 HydrophobicContact CD1-CG2 3.69Å; L112-I388 HydrophobicContact CD2-CD1 3.75Å; L112-I388 HydrophobicContact CD2-CG2 4.5Å; L112-V389 HydrophobicContact CD1-CG2 4.32Å
113F96.4Very high97Very high28 Ų2868 Ų6812%0.12334%0.339CS..THydrogen-bonded Turntrans-88.4-4.5171.3-67.7-87.8000113.6R104 L107 L108 R111 F378 M381R104-F113 HydrophobicContact CG-CE2 4.16Å; R104-F113 HydrophobicContact CG-CZ 4.12Å; R104-F113 VanDerWaalsContact NH1-CZ 3.31Å; L107-F113 HydrophobicContact CB-CD2 4.45Å; L107-F113 HydrophobicContact CB-CE2 3.75Å; L108-F113 HydrophobicContact CD2-CB 4.36Å; L108-F113 HydrophobicContact CD2-CD2 3.55Å; L108-F113 HydrophobicContact CD2-CE2 4.11Å; L108-F113 HydrophobicContact CD2-CG 4.13Å; L108-F113 HydrophobicContact CG-CD2 3.86Å; L108-F113 HydrophobicContact CG-CE2 3.98Å; R111-F113 PolarHBondContact O-N 3.33Å; F113-F378 HydrophobicContact CE1-CB 4.4Å; F113-F378 HydrophobicContact CE1-CD1 4.46Å; F113-F378 AromaticContact CZ-CD1 3.93Å; F113-F378 HydrophobicContact CZ-CD1 3.93Å; F113-M381 HydrophobicContact CD1-CB 3.97Å; F113-M381 HydrophobicContact CD1-CE 4.34Å; F113-M381 HydrophobicContact CD2-CE 4.23Å; F113-M381 HydrophobicContact CE1-CB 3.88Å; F113-M381 HydrophobicContact CE1-CE 3.9Å; F113-M381 HydrophobicContact CE2-CE 3.8Å; F113-M381 HydrophobicContact CG-CE 4.49Å; F113-M381 HydrophobicContact CZ-CE 3.6Å
114D95.2Very high96.9Very high53 Ų5368.2 Ų68.228%0.28334%0.34SS..SBendtrans-84.3122.6173.8-81.2-32.2000110.5R111 S116 R176R111-D114 WeakPolarHBondContact O-CB 3.31Å; R111-D114 PolarHBondContact O-N 3.15Å; D114-S116 PolarHBondContact O-N 3.19Å; D114-R176 IonicContact OD1-CZ 3.77Å; D114-R176 IonicContact OD1-NE 2.97Å; D114-R176 PolarHBondContact OD1-NE 2.82Å; D114-R176 IonicContact OD1-NH2 2.64Å; D114-R176 PolarHBondContact OD1-NH2 3.46Å; D114-R176 IonicContact OD2-CZ 3.6Å; D114-R176 IonicContact OD2-NE 2.89Å; D114-R176 IonicContact OD2-NH2 3.43Å; D114-R176 PolarHBondContact OD2-NH2 3.19Å
115G95.3Very high97Very high20 Ų2072.9 Ų72.921%0.20637%0.365CS..  trans-68.7126.717600000112.9K117G115-K117 PolarHBondContact O-N 2.85Å
116S97Very high97Very high45 Ų4568.9 Ų68.932%0.31535%0.348SS..  trans-66.4115.6170.61730000111.5D114 I118 F119 F120 H384D114-S116 PolarHBondContact O-N 3.19Å; S116-I118 VanDerWaalsContact C-N 3.25Å; S116-I118 PolarHBondContact O-N 3.24Å; S116-F119 PolarHBondContact O-N 3.38Å; S116-F119 PolarHBondContact OG-N 3.45Å; S116-F120 WeakPolarHBondContact O-CD2 3.21Å; S116-F120 PolarHBondContact O-N 3.16Å; S116-H384 VanDerWaalsContact CB-NE2 3.32Å; S116-H384 WeakPolarHBondContact CB-NE2 3.41Å; S116-H384 PolarHBondContact N-CE1 2.76Å
117K95.3Very high97.1Very high190 Ų19065.8 Ų65.883%0.82633%0.332SS*.Hα-helixtrans-60.4-36176-64.1-178.4-176.5178.30112.3G115 G121G115-K117 PolarHBondContact O-N 2.85Å; K117-G121 WeakPolarHBondContact O-CA 3.46Å; K117-G121 PolarHBondContact O-N 2.99Å
118I97.7Very high97.1Very high138 Ų13869.9 Ų69.971%0.70835%0.35SS*.Hα-helixtrans-67.4-51.8179.1-62.1173.4000108.8S116 F120 G121 T122S116-I118 VanDerWaalsContact C-N 3.25Å; S116-I118 PolarHBondContact O-N 3.24Å; I118-F120 PolarHBondContact O-N 2.79Å; I118-G121 PolarHBondContact O-N 2.85Å; I118-T122 WeakPolarHBondContact O-CB 3.37Å; I118-T122 PolarHBondContact O-N 3.46Å; I118-T122 PolarHBondContact O-OG1 2.96Å
119F98.1Very high97.2Very high43 Ų4368.2 Ų68.219%0.18934%0.344CS..Hα-helixtrans-57.2-55.7-179.6177.6-95.6000111.8S116 G121 T122 M123 H368 R383 H384S116-F119 PolarHBondContact O-N 3.38Å; S116-F119 PolarHBondContact OG-N 3.45Å; F119-G121 PolarHBondContact O-N 3.35Å; F119-T122 PolarHBondContact O-N 3Å; F119-M123 HydrophobicContact CD1-CG 4.37Å; F119-M123 HydrophobicContact CE1-CG 4.06Å; F119-M123 HydrophobicContact CE2-CG 4.48Å; F119-M123 HydrophobicContact CZ-CG 4.11Å; F119-M123 HydrophobicContact CZ-SD 4.45Å; F119-M123 VanDerWaalsContact O-CG 3.27Å; F119-M123 WeakPolarHBondContact O-CG 3.42Å; F119-M123 PolarHBondContact O-N 3.42Å; F119-H368 AromaticContact CZ-CE1 3.84Å; F119-R383 HydrophobicContact CE1-CG 3.96Å; F119-R383 HydrophobicContact CZ-CG 4.24Å; F119-H384 HydrophobicContact CD1-CB 4.16Å; F119-H384 AromaticContact CD1-CG 3.94Å; F119-H384 AromaticContact CD1-ND1 3.29Å; F119-H384 VanDerWaalsContact CD1-ND1 3.29Å; F119-H384 WeakPolarHBondContact CD1-ND1 3.21Å; F119-H384 HydrophobicContact CD2-CB 3.93Å; F119-H384 HydrophobicContact CE1-CB 4.04Å; F119-H384 AromaticContact CE1-ND1 3.7Å; F119-H384 HydrophobicContact CE2-CB 3.81Å; F119-H384 HydrophobicContact CG-CB 4.1Å; F119-H384 AromaticContact CG-CG 3.95Å; F119-H384 AromaticContact CG-ND1 3.69Å; F119-H384 HydrophobicContact CZ-CB 3.87Å
120F98.2Very high97.3Very high5 Ų561.8 Ų61.82%0.02232%0.315CS..Hα-helixtrans-70.8-32.5-177.6-70.4-64.3000113S116 I118 M123 M124 L165 D168 V174 P382 R383 H384S116-F120 WeakPolarHBondContact O-CD2 3.21Å; S116-F120 PolarHBondContact O-N 3.16Å; I118-F120 PolarHBondContact O-N 2.79Å; F120-M123 PolarHBondContact O-N 3.39Å; F120-M124 WeakPolarHBondContact O-CB 3.44Å; F120-M124 WeakPolarHBondContact O-CG 3.42Å; F120-M124 PolarHBondContact O-N 2.84Å; F120-L165 HydrophobicContact CD1-CD1 4.13Å; F120-D168 HydrophobicContact CE1-CB 3.95Å; F120-D168 WeakPolarHBondContact CE1-OD2 3.23Å; F120-D168 HydrophobicContact CZ-CB 4.41Å; F120-V174 HydrophobicContact CB-CG1 3.82Å; F120-V174 HydrophobicContact CD1-CG1 4.23Å; F120-V174 HydrophobicContact CD1-CG2 3.89Å; F120-V174 HydrophobicContact CD2-CB 4.26Å; F120-V174 HydrophobicContact CD2-CG1 3.81Å; F120-V174 HydrophobicContact CD2-CG2 4.35Å; F120-V174 HydrophobicContact CE1-CG2 3.81Å; F120-V174 HydrophobicContact CE2-CB 4.34Å; F120-V174 HydrophobicContact CE2-CG1 4.39Å; F120-V174 HydrophobicContact CE2-CG2 4.24Å; F120-V174 HydrophobicContact CG-CB 4.36Å; F120-V174 HydrophobicContact CG-CG1 3.71Å; F120-V174 HydrophobicContact CG-CG2 4.17Å; F120-V174 HydrophobicContact CZ-CG2 3.98Å; F120-P382 HydrophobicContact CE2-CB 3.95Å; F120-P382 HydrophobicContact CZ-CB 4.04Å; F120-R383 HydrophobicContact CE1-CG 4.47Å; F120-H384 AromaticContact CE2-CE1 3.79Å
121G97.7Very high97.3Very high36 Ų3658.3 Ų58.337%0.37130%0.298SS..Hα-helixtrans-61.7-43.6172.400000112K117 I118 F119 M124 L125K117-G121 WeakPolarHBondContact O-CA 3.46Å; K117-G121 PolarHBondContact O-N 2.99Å; I118-G121 PolarHBondContact O-N 2.85Å; F119-G121 PolarHBondContact O-N 3.35Å; G121-M124 PolarHBondContact O-N 2.71Å; G121-L125 WeakPolarHBondContact O-CB 3.43Å; G121-L125 PolarHBondContact O-N 2.83Å
122T98Very high97.4Very high76 Ų7654 Ų5447%0.46629%0.289SS..Hα-helixtrans-64.8-42.5174.6-60.50000111.8I118 F119 L125 Q126I118-T122 WeakPolarHBondContact O-CB 3.37Å; I118-T122 PolarHBondContact O-N 3.46Å; I118-T122 PolarHBondContact O-OG1 2.96Å; F119-T122 PolarHBondContact O-N 3Å; T122-L125 PolarHBondContact O-N 2.91Å; T122-Q126 WeakPolarHBondContact O-CB 3.28Å; T122-Q126 PolarHBondContact O-N 3.26Å
123M97.6Very high97.5Very high27 Ų2757.2 Ų57.213%0.13331%0.305CS..Hα-helixtrans-64.2-42.8177-65.3-6810700111.9F119 F120 Q126 V127F119-M123 HydrophobicContact CD1-CG 4.37Å; F119-M123 HydrophobicContact CE1-CG 4.06Å; F119-M123 HydrophobicContact CE2-CG 4.48Å; F119-M123 HydrophobicContact CZ-CG 4.11Å; F119-M123 HydrophobicContact CZ-SD 4.45Å; F119-M123 VanDerWaalsContact O-CG 3.27Å; F119-M123 WeakPolarHBondContact O-CG 3.42Å; F119-M123 PolarHBondContact O-N 3.42Å; F120-M123 PolarHBondContact O-N 3.39Å; M123-Q126 WeakPolarHBondContact O-CB 3.45Å; M123-Q126 PolarHBondContact O-N 3.49Å; M123-V127 WeakPolarHBondContact O-CG2 3.11Å; M123-V127 PolarHBondContact O-N 2.92Å; M123-V127 VanDerWaalsContact O-N 3.16Å
124M97.4Very high97.6Very high23 Ų2355.9 Ų55.911%0.11330%0.299CS..Hα-helixtrans-60.6-46.1173.2-79.5177.2-174.300111.6F120 G121 Q126 V127 F128 L165 L169 V174 F175 F184F120-M124 WeakPolarHBondContact O-CB 3.44Å; F120-M124 WeakPolarHBondContact O-CG 3.42Å; F120-M124 PolarHBondContact O-N 2.84Å; G121-M124 PolarHBondContact O-N 2.71Å; M124-Q126 VanDerWaalsContact C-N 3.33Å; M124-Q126 PolarHBondContact O-N 3.36Å; M124-V127 PolarHBondContact O-N 3.44Å; M124-F128 WeakPolarHBondContact O-CD2 3.42Å; M124-F128 PolarHBondContact O-N 2.8Å; M124-L165 HydrophobicContact CB-CD2 4.32Å; M124-L165 HydrophobicContact CE-CD1 3.97Å; M124-L165 HydrophobicContact CE-CD2 4.17Å; M124-L165 HydrophobicContact CE-CG 4.44Å; M124-L165 HydrophobicContact CG-CD1 4.14Å; M124-L165 HydrophobicContact CG-CD2 3.36Å; M124-L165 HydrophobicContact CG-CG 4.36Å; M124-L169 HydrophobicContact CE-CD1 4.49Å; M124-L169 HydrophobicContact CE-CD2 4.49Å; M124-V174 HydrophobicContact CE-CG1 4.25Å; M124-F175 HydrophobicContact CE-CE2 4.18Å; M124-F175 HydrophobicContact CE-CZ 4.1Å; M124-F184 HydrophobicContact CE-CD1 3.66Å; M124-F184 HydrophobicContact CE-CE1 4.19Å; M124-F184 HydrophobicContact CE-CG 4.41Å; M124-F184 HydrophobicContact SD-CD1 4.03Å; M124-F184 HydrophobicContact SD-CE1 4Å
125L97.8Very high97.8Very high111 Ų11156.4 Ų56.458%0.58130%0.298SS*.Hα-helixtrans-61.1-42.7177.8-175.965.6000111.2G121 T122 V127 F128 V129G121-L125 WeakPolarHBondContact O-CB 3.43Å; G121-L125 PolarHBondContact O-N 2.83Å; T122-L125 PolarHBondContact O-N 2.91Å; L125-V127 VanDerWaalsContact C-N 3.33Å; L125-V127 PolarHBondContact O-N 2.87Å; L125-F128 PolarHBondContact O-N 3.06Å; L125-V129 HydrophobicContact CD1-CG2 3.65Å; L125-V129 HydrophobicContact CG-CG2 3.87Å; L125-V129 VanDerWaalsContact O-CB 3.26Å; L125-V129 WeakPolarHBondContact O-CB 3.31Å; L125-V129 VanDerWaalsContact O-CG2 3.23Å; L125-V129 WeakPolarHBondContact O-CG2 3.47Å; L125-V129 PolarHBondContact O-N 3.01Å
126Q97.7Very high97.9Very high45 Ų4558 Ų5821%0.2130%0.301CS..Hα-helixtrans-56.2-46175.8177.8175.811.900111.6T122 M123 M124 L130T122-Q126 WeakPolarHBondContact O-CB 3.28Å; T122-Q126 PolarHBondContact O-N 3.26Å; M123-Q126 WeakPolarHBondContact O-CB 3.45Å; M123-Q126 PolarHBondContact O-N 3.49Å; M124-Q126 VanDerWaalsContact C-N 3.33Å; M124-Q126 PolarHBondContact O-N 3.36Å; Q126-L130 HydrophobicContact CG-CD1 3.66Å; Q126-L130 HydrophobicContact CG-CG 4.26Å; Q126-L130 VanDerWaalsContact O-CB 3.27Å; Q126-L130 WeakPolarHBondContact O-CB 3.28Å; Q126-L130 WeakPolarHBondContact O-CG 3.5Å; Q126-L130 PolarHBondContact O-N 2.77Å
127V98Very high98Very high1 Ų156.4 Ų56.41%0.00629%0.289CS..Hα-helixtrans-56.7-53.5178.4172.90000111.1M123 M124 L125 E131 S158 Q161 A162 T192M123-V127 WeakPolarHBondContact O-CG2 3.11Å; M123-V127 PolarHBondContact O-N 2.92Å; M123-V127 VanDerWaalsContact O-N 3.16Å; M124-V127 PolarHBondContact O-N 3.44Å; L125-V127 VanDerWaalsContact C-N 3.33Å; L125-V127 PolarHBondContact O-N 2.87Å; V127-E131 PolarHBondContact O-N 3.47Å; V127-E131 VanDerWaalsContact O-N 3.13Å; V127-S158 WeakPolarHBondContact O-CB 3.41Å; V127-S158 PolarHBondContact O-OG 3.5Å; V127-Q161 HydrophobicContact CG2-CB 3.99Å; V127-A162 HydrophobicContact CG1-CB 3.86Å; V127-A162 HydrophobicContact CG2-CB 4.23Å; V127-T192 HydrophobicContact CG1-CG2 4.1Å
128F97.7Very high98.1Very high87 Ų8747.4 Ų47.438%0.38225%0.25SS..Hα-helixtrans-74.7-35.9-174.5-67.3-62.8000113.3M124 L125 E131 L132 I188M124-F128 WeakPolarHBondContact O-CD2 3.42Å; M124-F128 PolarHBondContact O-N 2.8Å; L125-F128 PolarHBondContact O-N 3.06Å; F128-E131 PolarHBondContact O-N 3.09Å; F128-L132 VanDerWaalsContact O-CB 3.25Å; F128-L132 WeakPolarHBondContact O-CB 3.26Å; F128-L132 PolarHBondContact O-N 2.94Å; F128-I188 HydrophobicContact CE2-CD1 4.05Å; F128-I188 HydrophobicContact CZ-CD1 3.8Å
129V98.5Very high98.2Very high61 Ų6142.5 Ų42.537%0.3723%0.23SC..Hα-helixtrans-64.8-43.7175.7169.30000110.5L125 L132 L133L125-V129 HydrophobicContact CD1-CG2 3.65Å; L125-V129 HydrophobicContact CG-CG2 3.87Å; L125-V129 VanDerWaalsContact O-CB 3.26Å; L125-V129 WeakPolarHBondContact O-CB 3.31Å; L125-V129 VanDerWaalsContact O-CG2 3.23Å; L125-V129 WeakPolarHBondContact O-CG2 3.47Å; L125-V129 PolarHBondContact O-N 3.01Å; V129-L132 PolarHBondContact O-N 3.47Å; V129-L133 HydrophobicContact CG1-CD1 3.82Å; V129-L133 HydrophobicContact CG1-CG 4.22Å; V129-L133 WeakPolarHBondContact O-CB 3.47Å; V129-L133 VanDerWaalsContact O-CG 3.23Å; V129-L133 WeakPolarHBondContact O-CG 3.4Å; V129-L133 PolarHBondContact O-N 3.32Å
130L98.6Very high98.1Very high26 Ų2649 Ų4914%0.13626%0.255CS..Hα-helixtrans-66.7-39.5178.6-72176.6000112.6Q126 L133 A134 L154 I157Q126-L130 HydrophobicContact CG-CD1 3.66Å; Q126-L130 HydrophobicContact CG-CG 4.26Å; Q126-L130 VanDerWaalsContact O-CB 3.27Å; Q126-L130 WeakPolarHBondContact O-CB 3.28Å; Q126-L130 WeakPolarHBondContact O-CG 3.5Å; Q126-L130 PolarHBondContact O-N 2.77Å; L130-L133 PolarHBondContact O-N 3.29Å; L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 2.87Å; L130-L154 HydrophobicContact CD2-CD2 3.79Å; L130-I157 HydrophobicContact CD1-CB 4.06Å; L130-I157 HydrophobicContact CD1-CG2 3.5Å; L130-I157 VanDerWaalsContact CD1-CG2 3.5Å
131E98Very high98.1Very high13 Ų1355 Ų556%0.06128%0.281CS..Hα-helixtrans-63.3-43.9173.3178.1169.9-15700111.4V127 F128 A134 Y135 Y155 K295V127-E131 PolarHBondContact O-N 3.47Å; V127-E131 VanDerWaalsContact O-N 3.13Å; F128-E131 PolarHBondContact O-N 3.09Å; E131-A134 WeakPolarHBondContact O-CB 3.13Å; E131-A134 PolarHBondContact O-N 2.95Å; E131-Y135 PolarHBondContact O-N 3.13Å; E131-Y135 VanDerWaalsContact O-N 3.15Å; E131-Y155 HydrophobicContact CB-CD2 4.19Å; E131-Y155 HydrophobicContact CB-CE2 4.07Å; E131-Y155 VanDerWaalsContact CD-CE2 3.46Å; E131-Y155 HydrophobicContact CG-CD2 4.02Å; E131-Y155 HydrophobicContact CG-CE2 3.5Å; E131-Y155 VanDerWaalsContact OE1-CE2 3.29Å; E131-Y155 WeakPolarHBondContact OE1-CE2 3.15Å; E131-Y155 VanDerWaalsContact OE1-CZ 3.28Å; E131-Y155 PolarHBondContact OE1-OH 3.39Å; E131-K295 WeakPolarHBondContact OE1-CE 3.39Å; E131-K295 IonicContact OE1-NZ 3.91Å; E131-K295 PolarHBondContact OE1-NZ 3.43Å; E131-K295 IonicContact OE2-NZ 3.39Å; E131-K295 PolarHBondContact OE2-NZ 3Å
132L98.3Very high98.1Very high92 Ų9254.9 Ų54.948%0.48228%0.279SS..Hα-helixtrans-62.4-46.6177179.162.2000111.3F128 V129 A134 Y135 L136F128-L132 VanDerWaalsContact O-CB 3.25Å; F128-L132 WeakPolarHBondContact O-CB 3.26Å; F128-L132 PolarHBondContact O-N 2.94Å; V129-L132 PolarHBondContact O-N 3.47Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.45Å; L132-Y135 PolarHBondContact O-N 2.96Å; L132-L136 HydrophobicContact CD1-CD1 3.98Å; L132-L136 HydrophobicContact CD1-CD2 4.24Å; L132-L136 HydrophobicContact CD1-CG 3.87Å; L132-L136 HydrophobicContact CD2-CD1 4.28Å; L132-L136 HydrophobicContact CG-CD1 3.74Å; L132-L136 HydrophobicContact CG-CG 4.06Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 2.48Å
133L98.7Very high98.1Very high81 Ų8154.2 Ų54.242%0.42428%0.276SS..Hα-helixtrans-63.1-36.8177.7-71.1174.5000112V129 L130 Y135 N137 L154V129-L133 HydrophobicContact CG1-CD1 3.82Å; V129-L133 HydrophobicContact CG1-CG 4.22Å; V129-L133 WeakPolarHBondContact O-CB 3.47Å; V129-L133 VanDerWaalsContact O-CG 3.23Å; V129-L133 WeakPolarHBondContact O-CG 3.4Å; V129-L133 PolarHBondContact O-N 3.32Å; L130-L133 PolarHBondContact O-N 3.29Å; L133-Y135 VanDerWaalsContact C-N 3.32Å; L133-Y135 PolarHBondContact O-N 3.28Å; L133-N137 WeakPolarHBondContact O-CB 3.21Å; L133-N137 PolarHBondContact O-N 2.81Å; L133-L154 HydrophobicContact CB-CD1 4.13Å
134A98.6Very high98.1Very high0 Ų055.4 Ų55.40%029%0.286CS..Hα-helixtrans-59.1-44.3174.100000111.6L130 E131 L132 S151 L154L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 2.87Å; E131-A134 WeakPolarHBondContact O-CB 3.13Å; E131-A134 PolarHBondContact O-N 2.95Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.45Å; A134-S151 WeakPolarHBondContact CB-O 3.34Å; A134-S151 WeakPolarHBondContact O-CB 3.33Å; A134-S151 PolarHBondContact O-OG 2.62Å; A134-L154 HydrophobicContact CB-CB 3.83Å
135Y98.5Very high98.1Very high64 Ų6463.8 Ų63.825%0.25132%0.317SS..Hα-helixtrans-69.2-53.1176.7169.1-106.7000112.4E131 L132 L133 N137 L138 A139 L299 L303E131-Y135 PolarHBondContact O-N 3.13Å; E131-Y135 VanDerWaalsContact O-N 3.15Å; L132-Y135 PolarHBondContact O-N 2.96Å; L133-Y135 VanDerWaalsContact C-N 3.32Å; L133-Y135 PolarHBondContact O-N 3.28Å; Y135-N137 PolarHBondContact O-N 2.82Å; Y135-L138 PolarHBondContact O-N 3.32Å; Y135-A139 HydrophobicContact CE1-CB 4.21Å; Y135-A139 HydrophobicContact CE2-CB 4.18Å; Y135-A139 PolarHBondContact O-N 3.3Å; Y135-L299 HydrophobicContact CD1-CD2 4.38Å; Y135-L299 HydrophobicContact CD2-CB 3.87Å; Y135-L299 HydrophobicContact CD2-CD2 4.11Å; Y135-L299 HydrophobicContact CD2-CG 4.45Å; Y135-L299 HydrophobicContact CE1-CD2 4.19Å; Y135-L299 HydrophobicContact CE2-CB 3.99Å; Y135-L299 HydrophobicContact CE2-CD2 3.9Å; Y135-L299 VanDerWaalsContact CE2-O 3.26Å; Y135-L299 WeakPolarHBondContact CE2-O 3.41Å; Y135-L299 HydrophobicContact CG-CD2 4.34Å; Y135-L303 HydrophobicContact CD2-CD1 4.04Å; Y135-L303 HydrophobicContact CE2-CD1 3.82Å
136L98.5Very high98Very high54 Ų5464.1 Ų64.128%0.28331%0.31SS..Hα-helixtrans-58.5-35.5-178.7-66.7178.9000111.8L132 L138 A139 Y140L132-L136 HydrophobicContact CD1-CD1 3.98Å; L132-L136 HydrophobicContact CD1-CD2 4.24Å; L132-L136 HydrophobicContact CD1-CG 3.87Å; L132-L136 HydrophobicContact CD2-CD1 4.28Å; L132-L136 HydrophobicContact CG-CD1 3.74Å; L132-L136 HydrophobicContact CG-CG 4.06Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 2.48Å; L136-L138 VanDerWaalsContact C-N 3.3Å; L136-L138 PolarHBondContact O-N 3.19Å; L136-A139 PolarHBondContact O-N 2.96Å; L136-Y140 HydrophobicContact CB-CD2 4.27Å; L136-Y140 HydrophobicContact CD2-CD2 3.87Å; L136-Y140 HydrophobicContact CD2-CE2 3.44Å; L136-Y140 VanDerWaalsContact CD2-CE2 3.44Å; L136-Y140 PolarHBondContact O-N 2.97Å
137N98.6Very high98.1Very high11 Ų1164.4 Ų64.46%0.05931%0.309CS..Hα-helixtrans-56.6-42.8175172.170.5000112.2L133 Y135 F141 R147L133-N137 WeakPolarHBondContact O-CB 3.21Å; L133-N137 PolarHBondContact O-N 2.81Å; Y135-N137 PolarHBondContact O-N 2.82Å; N137-F141 WeakPolarHBondContact O-CB 3.22Å; N137-F141 PolarHBondContact O-N 2.95Å; N137-R147 PolarHBondContact ND2-O 3Å; N137-R147 WeakPolarHBondContact OD1-CD 3.35Å; N137-R147 PolarHBondContact OD1-NH1 3.32Å
138L98.6Very high98.1Very high2 Ų266.3 Ų66.31%0.0132%0.319CS..Hα-helixtrans-80.1-40.1178.4-61.6-173.3000112.4Y135 L136 Y140 G142 T143 R147 I148 S151 Y300 L303 L304Y135-L138 PolarHBondContact O-N 3.32Å; L136-L138 VanDerWaalsContact C-N 3.3Å; L136-L138 PolarHBondContact O-N 3.19Å; L138-Y140 PolarHBondContact O-N 3.35Å; L138-G142 CarbonylContact O-C 3.54Å; L138-G142 WeakPolarHBondContact O-CA 3.28Å; L138-G142 PolarHBondContact O-N 3.45Å; L138-G142 VanDerWaalsContact O-N 3.14Å; L138-T143 HydrophobicContact CB-CG2 4.42Å; L138-R147 HydrophobicContact CD2-CB 3.93Å; L138-R147 WeakPolarHBondContact CD2-O 3.49Å; L138-I148 HydrophobicContact CD2-CG1 4.13Å; L138-S151 WeakPolarHBondContact CD1-OG 3.47Å; L138-Y300 HydrophobicContact CD1-CD1 4.15Å; L138-Y300 HydrophobicContact CD1-CE1 3.96Å; L138-L303 HydrophobicContact CB-CD1 3.88Å; L138-L304 HydrophobicContact CD1-CD1 4.49Å
139A98.2Very high98.1Very high35 Ų3566.5 Ų66.529%0.28932%0.322SS..Hα-helixtrans-65.4-38.8-176.200000112.9Y135 L136 L303Y135-A139 HydrophobicContact CE1-CB 4.21Å; Y135-A139 HydrophobicContact CE2-CB 4.18Å; Y135-A139 PolarHBondContact O-N 3.3Å; L136-A139 PolarHBondContact O-N 2.96Å; A139-L303 HydrophobicContact CB-CD1 4.33Å
140Y97.7Very high98.1Very high180 Ų18066.5 Ų66.571%0.70632%0.32SS*.Hα-helixtrans-103.1-27.1-174.7-71-84.5000114.4L136 L138L136-Y140 HydrophobicContact CB-CD2 4.27Å; L136-Y140 HydrophobicContact CD2-CD2 3.87Å; L136-Y140 HydrophobicContact CD2-CE2 3.44Å; L136-Y140 VanDerWaalsContact CD2-CE2 3.44Å; L136-Y140 PolarHBondContact O-N 2.97Å; L138-Y140 PolarHBondContact O-N 3.35Å
141F97.6Very high98.1Very high131 Ų13165.3 Ų65.358%0.57531%0.314SS*.Hα-helixtrans-111.35.8-177.4-51.4-83.4000113.5N137N137-F141 WeakPolarHBondContact O-CB 3.22Å; N137-F141 PolarHBondContact O-N 2.95Å
142G97Very high98.2Very high32 Ų3265.1 Ų65.133%0.3331%0.313SS..  trans82.4178.417500000114.8L138 R147L138-G142 CarbonylContact O-C 3.54Å; L138-G142 WeakPolarHBondContact O-CA 3.28Å; L138-G142 PolarHBondContact O-N 3.45Å; L138-G142 VanDerWaalsContact O-N 3.14Å; G142-R147 WeakPolarHBondContact O-CB 3.26Å
143T97.6Very high98.2Very high63 Ų6365.3 Ų65.339%0.38731%0.314SS..  trans-108.630.7-167.753.10000113.7L138 I148 L303 L304L138-T143 HydrophobicContact CB-CG2 4.42Å; T143-I148 VanDerWaalsContact O-CD1 3.26Å; T143-I148 WeakPolarHBondContact O-CD1 3.45Å; T143-L303 HydrophobicContact CG2-CB 4.21Å; T143-L304 HydrophobicContact CG2-CD2 4Å
144S97.6Very high98.2Very high51 Ų5163 Ų6336%0.35730%0.302SS..  trans-60153.6171.564.20000111.5W146 R147 I148S144-W146 VanDerWaalsContact C-N 3.29Å; S144-W146 PolarHBondContact O-N 3.48Å; S144-W146 VanDerWaalsContact O-N 3.14Å; S144-W146 PolarHBondContact OG-NE1 3.4Å; S144-R147 WeakPolarHBondContact O-CA 3.41Å; S144-R147 WeakPolarHBondContact O-CB 3.16Å; S144-R147 PolarHBondContact O-N 2.9Å; S144-R147 VanDerWaalsContact OG-CG 3.24Å; S144-R147 WeakPolarHBondContact OG-CG 3.35Å; S144-I148 PolarHBondContact O-N 3.11Å
145W97.1Very high98.2Very high199 Ų19963 Ų6375%0.75430%0.302SS*.Hα-helixtrans-53.4-41.9-170.771.7-93.5000113.4R147 I148 M149W145-R147 PolarHBondContact O-N 3.31Å; W145-I148 PolarHBondContact O-N 3.08Å; W145-M149 HydrophobicContact CE3-CG 4.17Å; W145-M149 HydrophobicContact CZ3-CG 4.45Å; W145-M149 WeakPolarHBondContact O-CG 3.49Å; W145-M149 PolarHBondContact O-N 3.06Å
146W97.4Very high98.2Very high118 Ų11860.1 Ų60.145%0.44729%0.291SS..Hα-helixtrans-72.8-29.1-179.275.9-94.3000112.3S144 M149 L150S144-W146 VanDerWaalsContact C-N 3.29Å; S144-W146 PolarHBondContact O-N 3.48Å; S144-W146 VanDerWaalsContact O-N 3.14Å; S144-W146 PolarHBondContact OG-NE1 3.4Å; W146-M149 PolarHBondContact O-N 3.4Å; W146-L150 HydrophobicContact CZ3-CD2 4.25Å; W146-L150 WeakPolarHBondContact O-CB 3.39Å; W146-L150 PolarHBondContact O-N 3.43Å
147R98.3Very high98.2Very high51 Ų5159.5 Ų59.519%0.19229%0.287CS..Hα-helixtrans-68.4-41.8172.2-67.5-72.1-172.6-172.3-3.6110.5N137 L138 G142 S144 W145 M149 L150 S151N137-R147 PolarHBondContact ND2-O 3Å; N137-R147 WeakPolarHBondContact OD1-CD 3.35Å; N137-R147 PolarHBondContact OD1-NH1 3.32Å; L138-R147 HydrophobicContact CD2-CB 3.93Å; L138-R147 WeakPolarHBondContact CD2-O 3.49Å; G142-R147 WeakPolarHBondContact O-CB 3.26Å; S144-R147 WeakPolarHBondContact O-CA 3.41Å; S144-R147 WeakPolarHBondContact O-CB 3.16Å; S144-R147 PolarHBondContact O-N 2.9Å; S144-R147 VanDerWaalsContact OG-CG 3.24Å; S144-R147 WeakPolarHBondContact OG-CG 3.35Å; W145-R147 PolarHBondContact O-N 3.31Å; R147-M149 VanDerWaalsContact C-N 3.35Å; R147-L150 PolarHBondContact O-N 2.66Å; R147-S151 WeakPolarHBondContact O-CB 3.48Å; R147-S151 PolarHBondContact O-N 2.85Å
148I98.4Very high98.2Very high42 Ų4259 Ų5922%0.21528%0.284CS..Hα-helixtrans-60-46.6172.3-65.3173.9000109.9L138 T143 S144 W145 L150 S151 I152 L304 Y312L138-I148 HydrophobicContact CD2-CG1 4.13Å; T143-I148 VanDerWaalsContact O-CD1 3.26Å; T143-I148 WeakPolarHBondContact O-CD1 3.45Å; S144-I148 PolarHBondContact O-N 3.11Å; W145-I148 PolarHBondContact O-N 3.08Å; I148-L150 PolarHBondContact O-N 3.41Å; I148-S151 WeakPolarHBondContact O-CB 3.44Å; I148-S151 PolarHBondContact O-N 3.45Å; I148-I152 HydrophobicContact CG2-CD1 4.01Å; I148-I152 HydrophobicContact CG2-CG1 4.38Å; I148-I152 WeakPolarHBondContact O-CG1 3.43Å; I148-I152 PolarHBondContact O-N 2.99Å; I148-L304 HydrophobicContact CD1-CD2 4.05Å; I148-L304 HydrophobicContact CG1-CD2 4.36Å; I148-Y312 HydrophobicContact CG2-CD2 4.38Å
149M98.4Very high98.1Very high90 Ų9058.9 Ų58.944%0.44328%0.284SS..Hα-helixtrans-59.7-45.8176.7-67.9-60.597.300112.8W145 W146 R147 S151 I152 I153W145-M149 HydrophobicContact CE3-CG 4.17Å; W145-M149 HydrophobicContact CZ3-CG 4.45Å; W145-M149 WeakPolarHBondContact O-CG 3.49Å; W145-M149 PolarHBondContact O-N 3.06Å; W146-M149 PolarHBondContact O-N 3.4Å; R147-M149 VanDerWaalsContact C-N 3.35Å; M149-S151 VanDerWaalsContact C-N 3.33Å; M149-S151 PolarHBondContact O-N 2.67Å; M149-I152 HydrophobicContact CE-CD1 3.59Å; M149-I152 PolarHBondContact O-N 3.44Å; M149-I153 WeakPolarHBondContact O-CG1 3.14Å; M149-I153 PolarHBondContact O-N 2.95Å
150L98.6Very high98.1Very high62 Ų6257.3 Ų57.333%0.32527%0.272SS..Hα-helixtrans-60.4-43.3175.7176.958.6000111.7W146 R147 I148 I153 L154W146-L150 HydrophobicContact CZ3-CD2 4.25Å; W146-L150 WeakPolarHBondContact O-CB 3.39Å; W146-L150 PolarHBondContact O-N 3.43Å; R147-L150 PolarHBondContact O-N 2.66Å; I148-L150 PolarHBondContact O-N 3.41Å; L150-I153 PolarHBondContact O-N 3.28Å; L150-L154 HydrophobicContact CD1-CD1 4.12Å; L150-L154 HydrophobicContact CD1-CG 4.14Å; L150-L154 HydrophobicContact CG-CD1 4.07Å; L150-L154 VanDerWaalsContact O-CG 3.32Å; L150-L154 WeakPolarHBondContact O-CG 3.16Å; L150-L154 PolarHBondContact O-N 3.23Å
151S98.8Very high98.1Very high0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-60.7-45.4176.4-170.40000111.6A134 L138 R147 I148 M149 I153 L154 Y155 Y312A134-S151 WeakPolarHBondContact CB-O 3.34Å; A134-S151 WeakPolarHBondContact O-CB 3.33Å; A134-S151 PolarHBondContact O-OG 2.62Å; L138-S151 WeakPolarHBondContact CD1-OG 3.47Å; R147-S151 WeakPolarHBondContact O-CB 3.48Å; R147-S151 PolarHBondContact O-N 2.85Å; I148-S151 WeakPolarHBondContact O-CB 3.44Å; I148-S151 PolarHBondContact O-N 3.45Å; M149-S151 VanDerWaalsContact C-N 3.33Å; M149-S151 PolarHBondContact O-N 2.67Å; S151-I153 VanDerWaalsContact C-N 3.35Å; S151-I153 PolarHBondContact O-N 2.86Å; S151-L154 PolarHBondContact O-N 3.39Å; S151-Y155 WeakPolarHBondContact O-CB 3.3Å; S151-Y155 PolarHBondContact O-N 2.83Å; S151-Y312 PolarHBondContact OG-OH 3.07Å
152I98.7Very high98.1Very high9 Ų942.7 Ų42.75%0.04621%0.212CC..Hα-helixtrans-59.3-44.1175-70178.3000111.2I148 M149 S156 Y312 V315 I316 I319I148-I152 HydrophobicContact CG2-CD1 4.01Å; I148-I152 HydrophobicContact CG2-CG1 4.38Å; I148-I152 WeakPolarHBondContact O-CG1 3.43Å; I148-I152 PolarHBondContact O-N 2.99Å; M149-I152 HydrophobicContact CE-CD1 3.59Å; M149-I152 PolarHBondContact O-N 3.44Å; I152-S156 WeakPolarHBondContact O-CB 3.26Å; I152-S156 PolarHBondContact O-N 2.7Å; I152-S156 PolarHBondContact O-OG 3.47Å; I152-Y312 HydrophobicContact CB-CE2 4.48Å; I152-Y312 HydrophobicContact CD1-CD2 4.08Å; I152-Y312 HydrophobicContact CD1-CE2 4.41Å; I152-Y312 HydrophobicContact CG1-CD2 3.56Å; I152-Y312 HydrophobicContact CG1-CE2 3.42Å; I152-Y312 VanDerWaalsContact CG1-CE2 3.42Å; I152-V315 HydrophobicContact CD1-CB 4.23Å; I152-V315 HydrophobicContact CD1-CG1 3.85Å; I152-V315 HydrophobicContact CG2-CG1 4.08Å; I152-I316 HydrophobicContact CB-CG1 4.38Å; I152-I316 HydrophobicContact CG1-CG1 4.28Å; I152-I316 HydrophobicContact CG2-CG1 4.03Å; I152-I319 HydrophobicContact CG2-CD1 3.36Å
153I98.6Very high98.1Very high97 Ų9741.5 Ų41.550%0.49720%0.198SC..Hα-helixtrans-62-51.6178.7-69.4163.8000110.4M149 L150 S151 Y155 S156 I157M149-I153 WeakPolarHBondContact O-CG1 3.14Å; M149-I153 PolarHBondContact O-N 2.95Å; L150-I153 PolarHBondContact O-N 3.28Å; S151-I153 VanDerWaalsContact C-N 3.35Å; S151-I153 PolarHBondContact O-N 2.86Å; I153-Y155 PolarHBondContact O-N 3.49Å; I153-S156 PolarHBondContact O-N 2.76Å; I153-I157 HydrophobicContact CG2-CD1 3.93Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.17Å; I153-I157 PolarHBondContact O-N 2.78Å
154L98.7Very high98.2Very high32 Ų3238.7 Ų38.717%0.16818%0.18CC..Hα-helixtrans-59.8-46.8179.9-69.2171.7000111.3L130 L133 A134 L150 S151 I157 S158L130-L154 HydrophobicContact CD2-CD2 3.79Å; L133-L154 HydrophobicContact CB-CD1 4.13Å; A134-L154 HydrophobicContact CB-CB 3.83Å; L150-L154 HydrophobicContact CD1-CD1 4.12Å; L150-L154 HydrophobicContact CD1-CG 4.14Å; L150-L154 HydrophobicContact CG-CD1 4.07Å; L150-L154 VanDerWaalsContact O-CG 3.32Å; L150-L154 WeakPolarHBondContact O-CG 3.16Å; L150-L154 PolarHBondContact O-N 3.23Å; S151-L154 PolarHBondContact O-N 3.39Å; L154-I157 PolarHBondContact O-N 3.49Å; L154-S158 PolarHBondContact O-N 3.22Å
155Y98.7Very high98.2Very high0 Ų036.3 Ų36.30%016%0.164CC..Hα-helixtrans-69.9-36.4-179.2-158.9-175.3000111.6E131 S151 I153 I157 S158 Q159 L296 Y300 Y312 I316E131-Y155 HydrophobicContact CB-CD2 4.19Å; E131-Y155 HydrophobicContact CB-CE2 4.07Å; E131-Y155 VanDerWaalsContact CD-CE2 3.46Å; E131-Y155 HydrophobicContact CG-CD2 4.02Å; E131-Y155 HydrophobicContact CG-CE2 3.5Å; E131-Y155 VanDerWaalsContact OE1-CE2 3.29Å; E131-Y155 WeakPolarHBondContact OE1-CE2 3.15Å; E131-Y155 VanDerWaalsContact OE1-CZ 3.28Å; E131-Y155 PolarHBondContact OE1-OH 3.39Å; S151-Y155 WeakPolarHBondContact O-CB 3.3Å; S151-Y155 PolarHBondContact O-N 2.83Å; I153-Y155 PolarHBondContact O-N 3.49Å; Y155-I157 PolarHBondContact O-N 3.3Å; Y155-S158 WeakPolarHBondContact O-CB 3.47Å; Y155-S158 PolarHBondContact O-N 3.35Å; Y155-Q159 HydrophobicContact CD2-CG 3.89Å; Y155-Q159 HydrophobicContact CE2-CG 3.98Å; Y155-Q159 WeakPolarHBondContact O-CB 3.42Å; Y155-Q159 WeakPolarHBondContact O-CG 3.33Å; Y155-Q159 PolarHBondContact O-N 2.94Å; Y155-L296 HydrophobicContact CE1-CD1 4.25Å; Y155-Y300 HydrophobicContact CE1-CE2 4.08Å; Y155-Y312 AromaticContact CD1-CE1 3.87Å; Y155-Y312 HydrophobicContact CD1-CE1 3.87Å; Y155-Y312 WeakPolarHBondContact CD1-OH 3.31Å; Y155-Y312 HydrophobicContact CE1-CE1 4.28Å; Y155-I316 HydrophobicContact CD1-CD1 3.35Å; Y155-I316 HydrophobicContact CE1-CD1 4.17Å; Y155-I316 HydrophobicContact CG-CD1 3.95Å
156S98.6Very high98.2Very high3 Ų327 Ų272%0.02113%0.129CC..Hα-helixtrans-64.7-38.6175.5-59.10000112.2I152 I153 Q159 G160I152-S156 WeakPolarHBondContact O-CB 3.26Å; I152-S156 PolarHBondContact O-N 2.7Å; I152-S156 PolarHBondContact O-OG 3.47Å; I153-S156 PolarHBondContact O-N 2.76Å; S156-Q159 PolarHBondContact O-N 3.36Å; S156-G160 PolarHBondContact O-N 2.98Å
157I98.5Very high98.2Very high41 Ų4122 Ų2221%0.2111%0.11CC..Hα-helixtrans-66-44.5173.7-63.4165.2000110.8L130 I153 L154 Y155 Q159 G160 Q161 W323 W364L130-I157 HydrophobicContact CD1-CB 4.06Å; L130-I157 HydrophobicContact CD1-CG2 3.5Å; L130-I157 VanDerWaalsContact CD1-CG2 3.5Å; I153-I157 HydrophobicContact CG2-CD1 3.93Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.17Å; I153-I157 PolarHBondContact O-N 2.78Å; L154-I157 PolarHBondContact O-N 3.49Å; Y155-I157 PolarHBondContact O-N 3.3Å; I157-Q159 VanDerWaalsContact C-N 3.28Å; I157-Q159 PolarHBondContact O-N 2.87Å; I157-G160 PolarHBondContact O-N 3.47Å; I157-Q161 HydrophobicContact CG2-CG 4.37Å; I157-Q161 WeakPolarHBondContact O-CB 3.44Å; I157-Q161 WeakPolarHBondContact O-CG 3.5Å; I157-Q161 PolarHBondContact O-N 3.27Å; I157-W323 HydrophobicContact CB-CZ3 4.36Å; I157-W323 HydrophobicContact CG1-CH2 4.46Å; I157-W323 HydrophobicContact CG1-CZ3 4.05Å; I157-W323 HydrophobicContact CG2-CH2 4.37Å; I157-W364 HydrophobicContact CG2-CH2 4.23Å; I157-W364 HydrophobicContact CG2-CZ2 3.81Å
158S98.4Very high98.2Very high0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-53.7-47.7172.9171.60000111.1V127 L154 Y155 Q161 A162V127-S158 WeakPolarHBondContact O-CB 3.41Å; V127-S158 PolarHBondContact O-OG 3.5Å; L154-S158 PolarHBondContact O-N 3.22Å; Y155-S158 WeakPolarHBondContact O-CB 3.47Å; Y155-S158 PolarHBondContact O-N 3.35Å; S158-Q161 PolarHBondContact O-N 3.38Å; S158-A162 WeakPolarHBondContact O-CB 3.4Å; S158-A162 PolarHBondContact O-N 3.4Å
159Q98Very high98.2Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-67.5-43.2-179-70.4-61.9-38.900113Y155 S156 I157 Q161 A162 S163 T192 K193 I316 E320Y155-Q159 HydrophobicContact CD2-CG 3.89Å; Y155-Q159 HydrophobicContact CE2-CG 3.98Å; Y155-Q159 WeakPolarHBondContact O-CB 3.42Å; Y155-Q159 WeakPolarHBondContact O-CG 3.33Å; Y155-Q159 PolarHBondContact O-N 2.94Å; S156-Q159 PolarHBondContact O-N 3.36Å; I157-Q159 VanDerWaalsContact C-N 3.28Å; I157-Q159 PolarHBondContact O-N 2.87Å; Q159-Q161 PolarHBondContact O-N 2.68Å; Q159-A162 WeakPolarHBondContact O-CB 3.29Å; Q159-A162 PolarHBondContact O-N 2.96Å; Q159-S163 PolarHBondContact O-N 3.43Å; Q159-S163 PolarHBondContact O-OG 3.49Å; Q159-S163 VanDerWaalsContact O-OG 3.13Å; Q159-T192 PolarHBondContact NE2-O 3.12Å; Q159-K193 PolarHBondContact O-NZ 3.13Å; Q159-I316 HydrophobicContact CG-CG2 4.11Å; Q159-E320 HydrophobicContact CB-CG 4.22Å
160G97.5Very high98.1Very high3 Ų314.2 Ų14.23%0.0318%0.078CC..Hα-helixtrans-58.9-46.7174.300000111.9S156 I157 A162 S163 W164S156-G160 PolarHBondContact O-N 2.98Å; I157-G160 PolarHBondContact O-N 3.47Å; G160-A162 PolarHBondContact O-N 3.38Å; G160-S163 VanDerWaalsContact O-CB 3.27Å; G160-S163 WeakPolarHBondContact O-CB 3.22Å; G160-S163 PolarHBondContact O-N 3.37Å; G160-S163 VanDerWaalsContact O-N 3.12Å; G160-W164 PolarHBondContact O-N 3Å
161Q97.8Very high98.1Very high4 Ų412.2 Ų12.22%0.0197%0.067CC..Hα-helixtrans-67.8-34.5177.2-66.4-59-38.400112.7V127 I157 S158 Q159 S163 W164 L165 W364V127-Q161 HydrophobicContact CG2-CB 3.99Å; I157-Q161 HydrophobicContact CG2-CG 4.37Å; I157-Q161 WeakPolarHBondContact O-CB 3.44Å; I157-Q161 WeakPolarHBondContact O-CG 3.5Å; I157-Q161 PolarHBondContact O-N 3.27Å; S158-Q161 PolarHBondContact O-N 3.38Å; Q159-Q161 PolarHBondContact O-N 2.68Å; Q161-S163 VanDerWaalsContact C-N 3.26Å; Q161-S163 PolarHBondContact O-N 3.34Å; Q161-W164 PolarHBondContact O-N 3.01Å; Q161-L165 PolarHBondContact O-N 2.84Å; Q161-W364 PolarHBondContact NE2-O 2.84Å
162A98.1Very high97.9Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-62.7-32.6171.700000112.3V127 S158 Q159 G160 W164 L165 Q166 I188 T192 K193V127-A162 HydrophobicContact CG1-CB 3.86Å; V127-A162 HydrophobicContact CG2-CB 4.23Å; S158-A162 WeakPolarHBondContact O-CB 3.4Å; S158-A162 PolarHBondContact O-N 3.4Å; Q159-A162 WeakPolarHBondContact O-CB 3.29Å; Q159-A162 PolarHBondContact O-N 2.96Å; G160-A162 PolarHBondContact O-N 3.38Å; A162-W164 VanDerWaalsContact C-N 3.32Å; A162-L165 PolarHBondContact O-N 3.29Å; A162-Q166 WeakPolarHBondContact O-CB 3.17Å; A162-Q166 WeakPolarHBondContact O-CG 3.37Å; A162-Q166 PolarHBondContact O-N 2.86Å; A162-I188 HydrophobicContact CB-CG2 4.2Å; A162-T192 HydrophobicContact CB-CG2 4.36Å; A162-K193 HydrophobicContact CB-CD 3.93Å; A162-K193 HydrophobicContact CB-CG 4.08Å
163S97.4Very high97.8Very high6 Ų613.1 Ų13.14%0.0427%0.072CC..Hα-helixtrans-64.8-35.5175-60.90000112.6Q159 G160 Q161 Q166 H167 K193 E320Q159-S163 PolarHBondContact O-N 3.43Å; Q159-S163 PolarHBondContact O-OG 3.49Å; Q159-S163 VanDerWaalsContact O-OG 3.13Å; G160-S163 VanDerWaalsContact O-CB 3.27Å; G160-S163 WeakPolarHBondContact O-CB 3.22Å; G160-S163 PolarHBondContact O-N 3.37Å; G160-S163 VanDerWaalsContact O-N 3.12Å; Q161-S163 VanDerWaalsContact C-N 3.26Å; Q161-S163 PolarHBondContact O-N 3.34Å; S163-Q166 VanDerWaalsContact O-CG 3.3Å; S163-Q166 WeakPolarHBondContact O-CG 3.48Å; S163-Q166 PolarHBondContact O-NE2 3.33Å; S163-H167 WeakPolarHBondContact O-CB 3.37Å; S163-H167 PolarHBondContact O-N 2.9Å; S163-K193 WeakPolarHBondContact OG-CE 3.27Å; S163-K193 PolarHBondContact OG-NZ 3.13Å; S163-E320 PolarHBondContact OG-OE1 3.41Å; S163-E320 VanDerWaalsContact OG-OE1 3.07Å
164W97.9Very high97.8Very high5 Ų58.9 Ų8.92%0.0195%0.051CC..Hα-helixtrans-76.1-40.4175.4-48142.8000111.8G160 Q161 A162 H167 D168 W323 F324 V327 F365 G367 L369G160-W164 PolarHBondContact O-N 3Å; Q161-W164 PolarHBondContact O-N 3.01Å; A162-W164 VanDerWaalsContact C-N 3.32Å; W164-H167 WeakPolarHBondContact O-CB 3.34Å; W164-H167 PolarHBondContact O-N 2.84Å; W164-D168 PolarHBondContact O-N 3.45Å; W164-W323 AromaticContact CZ2-NE1 3.91Å; W164-F324 AromaticContact CH2-CD2 4Å; W164-F324 HydrophobicContact CH2-CD2 4Å; W164-F324 AromaticContact CZ3-CD2 3.93Å; W164-F324 HydrophobicContact CZ3-CD2 3.93Å; W164-F324 HydrophobicContact CZ3-CE2 4.3Å; W164-V327 HydrophobicContact CH2-CB 3.87Å; W164-V327 HydrophobicContact CH2-CG1 3.71Å; W164-V327 HydrophobicContact CH2-CG2 4.32Å; W164-V327 HydrophobicContact CZ2-CB 4.15Å; W164-V327 HydrophobicContact CZ2-CG1 4.05Å; W164-V327 HydrophobicContact CZ2-CG2 4.09Å; W164-V327 HydrophobicContact CZ3-CG1 4.44Å; W164-F365 PolarHBondContact NE1-O 2.87Å; W164-G367 VanDerWaalsContact CD1-CA 3.49Å; W164-L369 HydrophobicContact CE3-CD1 3.87Å; W164-L369 HydrophobicContact CH2-CD1 4.33Å; W164-L369 HydrophobicContact CZ3-CD1 3.6Å
165L98Very high97.7Very high1 Ų110 Ų101%0.0055%0.054CC..Hα-helixtrans-65.4-43.3178.7-179.265.9000112.6F120 M124 Q161 A162 H167 D168 L169 I188F120-L165 HydrophobicContact CD1-CD1 4.13Å; M124-L165 HydrophobicContact CB-CD2 4.32Å; M124-L165 HydrophobicContact CE-CD1 3.97Å; M124-L165 HydrophobicContact CE-CD2 4.17Å; M124-L165 HydrophobicContact CE-CG 4.44Å; M124-L165 HydrophobicContact CG-CD1 4.14Å; M124-L165 HydrophobicContact CG-CD2 3.36Å; M124-L165 HydrophobicContact CG-CG 4.36Å; Q161-L165 PolarHBondContact O-N 2.84Å; A162-L165 PolarHBondContact O-N 3.29Å; L165-H167 PolarHBondContact O-N 3.21Å; L165-D168 PolarHBondContact O-N 2.75Å; L165-L169 HydrophobicContact CG-CD1 4.09Å; L165-L169 WeakPolarHBondContact O-CD1 3.47Å; L165-L169 VanDerWaalsContact O-CG 3.32Å; L165-L169 WeakPolarHBondContact O-CG 3.49Å; L165-L169 PolarHBondContact O-N 3.44Å; L165-I188 HydrophobicContact CB-CG2 4.39Å; L165-I188 HydrophobicContact CD2-CD1 3.74Å; L165-I188 HydrophobicContact CD2-CG1 3.85Å; L165-I188 HydrophobicContact CD2-CG2 4.12Å; L165-I188 HydrophobicContact CG-CG1 4.42Å; L165-I188 HydrophobicContact CG-CG2 4.34Å
166Q97.8Very high97.4Very high4 Ų418.5 Ų18.52%0.0199%0.086CC..Hα-helixtrans-62.9-32.2175.871.278.434.200111.8A162 S163 L169 G170 H185 I188 L189 K193 W200A162-Q166 WeakPolarHBondContact O-CB 3.17Å; A162-Q166 WeakPolarHBondContact O-CG 3.37Å; A162-Q166 PolarHBondContact O-N 2.86Å; S163-Q166 VanDerWaalsContact O-CG 3.3Å; S163-Q166 WeakPolarHBondContact O-CG 3.48Å; S163-Q166 PolarHBondContact O-NE2 3.33Å; Q166-L169 PolarHBondContact O-N 3.14Å; Q166-G170 PolarHBondContact O-N 2.8Å; Q166-H185 PolarHBondContact O-CD2 2.89Å; Q166-H185 PolarHBondContact O-NE2 2.96Å; Q166-H185 VanDerWaalsContact O-NE2 3.15Å; Q166-H185 PolarHBondContact OE1-NE2 3.32Å; Q166-I188 HydrophobicContact CB-CB 4.45Å; Q166-I188 HydrophobicContact CB-CG2 3.91Å; Q166-L189 HydrophobicContact CB-CB 3.99Å; Q166-L189 HydrophobicContact CG-CB 4.38Å; Q166-L189 HydrophobicContact CG-CD1 4.19Å; Q166-K193 HydrophobicContact CG-CD 4.38Å; Q166-W200 VanDerWaalsContact NE2-CE2 3.28Å; Q166-W200 VanDerWaalsContact OE1-CD1 3.26Å
167H97.8Very high97.2Very high12 Ų1221 Ų216%0.05610%0.103CC..Hα-helixtrans-67.9-43.7177.9172.3-95.8000111.1S163 W164 L165 L169 G170 H171 H204 H375S163-H167 WeakPolarHBondContact O-CB 3.37Å; S163-H167 PolarHBondContact O-N 2.9Å; W164-H167 WeakPolarHBondContact O-CB 3.34Å; W164-H167 PolarHBondContact O-N 2.84Å; L165-H167 PolarHBondContact O-N 3.21Å; H167-L169 VanDerWaalsContact C-N 3.31Å; H167-L169 PolarHBondContact O-N 2.99Å; H167-G170 PolarHBondContact O-N 2.94Å; H167-H171 AromaticContact CD2-CD2 3.98Å; H167-H171 AromaticContact CD2-NE2 3.92Å; H167-H171 AromaticContact CE1-CD2 3.58Å; H167-H171 AromaticContact CE1-NE2 3.66Å; H167-H171 AromaticContact ND1-CD2 3.88Å; H167-H171 AromaticContact NE2-CD2 3.64Å; H167-H171 AromaticContact NE2-NE2 3.34Å; H167-H171 PolarHBondContact NE2-NE2 3.08Å; H167-H171 PolarHBondContact O-CD2 2.81Å; H167-H171 VanDerWaalsContact O-CD2 3.27Å; H167-H171 PolarHBondContact O-N 3.45Å; H167-H204 AromaticContact CD2-CD2 3.95Å; H167-H204 AromaticContact CD2-CE1 3.44Å; H167-H204 PolarHBondContact CD2-CE1 3.24Å; H167-H204 VanDerWaalsContact CD2-CE1 3.44Å; H167-H204 AromaticContact CD2-NE2 3.13Å; H167-H204 PolarHBondContact CD2-NE2 3.38Å; H167-H204 AromaticContact NE2-CE1 3.23Å; H167-H204 PolarHBondContact NE2-CE1 3.23Å; H167-H204 AromaticContact NE2-NE2 2.96Å; H167-H204 PolarHBondContact NE2-NE2 3.33Å; H167-H375 AromaticContact CE1-CE1 3.15Å; H167-H375 PolarHBondContact CE1-CE1 3.28Å; H167-H375 AromaticContact CE1-NE2 3.12Å; H167-H375 PolarHBondContact CE1-NE2 2.88Å; H167-H375 AromaticContact NE2-CE1 3.67Å; H167-H375 AromaticContact NE2-NE2 3.29Å; H167-H375 PolarHBondContact NE2-NE2 3.4Å
168D98.3Very high97Very high3 Ų321.9 Ų21.92%0.01611%0.111CC..Hα-helixtrans-57.8-43.5171.6-63-47.8000112F120 W164 L165 H171 L172 S173 V174 R383F120-D168 HydrophobicContact CE1-CB 3.95Å; F120-D168 WeakPolarHBondContact CE1-OD2 3.23Å; F120-D168 HydrophobicContact CZ-CB 4.41Å; W164-D168 PolarHBondContact O-N 3.45Å; L165-D168 PolarHBondContact O-N 2.75Å; D168-H171 CarbonylContact O-C 3.58Å; D168-H171 PolarHBondContact O-N 3.1Å; D168-L172 PolarHBondContact O-N 3.32Å; D168-S173 PolarHBondContact O-N 2.78Å; D168-S173 VanDerWaalsContact O-N 3.08Å; D168-S173 PolarHBondContact O-OG 2.89Å; D168-V174 HydrophobicContact CB-CG2 3.6Å; D168-R383 VanDerWaalsContact OD1-CD 3.31Å; D168-R383 WeakPolarHBondContact OD1-CD 3.27Å; D168-R383 WeakPolarHBondContact OD1-CG 3.4Å; D168-R383 IonicContact OD1-NE 3.43Å; D168-R383 VanDerWaalsContact OD2-CD 3.3Å; D168-R383 WeakPolarHBondContact OD2-CD 3.25Å; D168-R383 IonicContact OD2-CZ 2.62Å; D168-R383 IonicContact OD2-NE 3.93Å; D168-R383 PolarHBondContact OD2-NE 2.89Å; D168-R383 IonicContact OD2-NH2 3.44Å
169L98.1Very high96.8Very high0 Ų031.1 Ų31.10%015%0.146CC..Hα-helixtrans-66.1-41.9179-70.3162.1000112M124 L165 Q166 H167 H171 L172 V174 F175 N181 F184 H185 I188M124-L169 HydrophobicContact CE-CD1 4.49Å; M124-L169 HydrophobicContact CE-CD2 4.49Å; L165-L169 HydrophobicContact CG-CD1 4.09Å; L165-L169 WeakPolarHBondContact O-CD1 3.47Å; L165-L169 VanDerWaalsContact O-CG 3.32Å; L165-L169 WeakPolarHBondContact O-CG 3.49Å; L165-L169 PolarHBondContact O-N 3.44Å; Q166-L169 PolarHBondContact O-N 3.14Å; H167-L169 VanDerWaalsContact C-N 3.31Å; H167-L169 PolarHBondContact O-N 2.99Å; L169-H171 PolarHBondContact O-N 2.9Å; L169-L172 PolarHBondContact O-N 3.25Å; L169-V174 HydrophobicContact CD2-CB 3.79Å; L169-V174 HydrophobicContact CD2-CG1 4.2Å; L169-V174 HydrophobicContact CD2-CG2 3.71Å; L169-V174 HydrophobicContact CG-CB 4.5Å; L169-V174 HydrophobicContact CG-CG2 3.86Å; L169-F175 HydrophobicContact CD2-CD2 4.1Å; L169-F175 HydrophobicContact CD2-CE2 3.9Å; L169-N181 HydrophobicContact CD2-CB 4.47Å; L169-F184 HydrophobicContact CD1-CB 3.96Å; L169-F184 HydrophobicContact CD2-CB 3.62Å; L169-F184 HydrophobicContact CG-CB 4.45Å; L169-H185 HydrophobicContact CB-CB 3.85Å; L169-I188 HydrophobicContact CD1-CB 4.12Å; L169-I188 HydrophobicContact CD1-CG1 3.79Å
170G96.8Very high96.8Very high16 Ų1633.3 Ų33.317%0.16516%0.159CC..Hα-helixtrans-61.7-32.2174.500000113Q166 H167 L172 H185 N201Q166-G170 PolarHBondContact O-N 2.8Å; H167-G170 PolarHBondContact O-N 2.94Å; G170-L172 VanDerWaalsContact C-N 3.29Å; G170-L172 PolarHBondContact O-N 3.46Å; G170-H185 VanDerWaalsContact CA-CE1 3.47Å; G170-H185 WeakPolarHBondContact CA-CE1 3.42Å; G170-H185 WeakPolarHBondContact CA-ND1 3.39Å; G170-N201 WeakPolarHBondContact CA-OD1 3.35Å
171H96.8Very high96.8Very high21 Ų2133.1 Ų33.110%0.09716%0.158CC..THydrogen-bonded Turntrans-82.61.5172.3-78.5-57000115.3H167 D168 L169 S173 H204 H208 H375 P379H167-H171 AromaticContact CD2-CD2 3.98Å; H167-H171 AromaticContact CD2-NE2 3.92Å; H167-H171 AromaticContact CE1-CD2 3.58Å; H167-H171 AromaticContact CE1-NE2 3.66Å; H167-H171 AromaticContact ND1-CD2 3.88Å; H167-H171 AromaticContact NE2-CD2 3.64Å; H167-H171 AromaticContact NE2-NE2 3.34Å; H167-H171 PolarHBondContact NE2-NE2 3.08Å; H167-H171 PolarHBondContact O-CD2 2.81Å; H167-H171 VanDerWaalsContact O-CD2 3.27Å; H167-H171 PolarHBondContact O-N 3.45Å; D168-H171 CarbonylContact O-C 3.58Å; D168-H171 PolarHBondContact O-N 3.1Å; L169-H171 PolarHBondContact O-N 2.9Å; H171-S173 PolarHBondContact O-N 2.83Å; H171-H204 AromaticContact CD2-NE2 3.83Å; H171-H204 AromaticContact CE1-CD2 3.67Å; H171-H204 AromaticContact CE1-NE2 3.45Å; H171-H204 PolarHBondContact CE1-NE2 3.32Å; H171-H204 AromaticContact NE2-CD2 3.4Å; H171-H204 PolarHBondContact NE2-CD2 3.21Å; H171-H204 AromaticContact NE2-NE2 2.83Å; H171-H204 PolarHBondContact NE2-NE2 3.38Å; H171-H208 AromaticContact CE1-CD2 3.54Å; H171-H208 AromaticContact CE1-CE1 3.95Å; H171-H208 AromaticContact CE1-NE2 3.45Å; H171-H208 PolarHBondContact CE1-NE2 3.19Å; H171-H208 AromaticContact NE2-CD2 3.84Å; H171-H208 AromaticContact NE2-CE1 3.97Å; H171-H208 AromaticContact NE2-NE2 3.34Å; H171-H208 PolarHBondContact NE2-NE2 3.1Å; H171-H375 AromaticContact CD2-CE1 3.54Å; H171-H375 AromaticContact NE2-CE1 3.26Å; H171-H375 PolarHBondContact NE2-CE1 3.22Å; H171-H375 VanDerWaalsContact NE2-CE1 3.26Å; H171-H375 AromaticContact NE2-NE2 3.55Å; H171-P379 VanDerWaalsContact CB-O 3.28Å; H171-P379 WeakPolarHBondContact CB-O 3.46Å; H171-P379 WeakPolarHBondContact ND1-CB 3.48Å
172L96.5Very high96.7Very high26 Ų2636.2 Ų36.214%0.13617%0.172CC..THydrogen-bonded Turntrans59.229.4-179.5-47.7176.6000113.6K62 D168 L169 G170 T178 N181K62-L172 HydrophobicContact CD-CB 4.41Å; K62-L172 PolarHBondContact NZ-O 2.82Å; D168-L172 PolarHBondContact O-N 3.32Å; L169-L172 PolarHBondContact O-N 3.25Å; G170-L172 VanDerWaalsContact C-N 3.29Å; G170-L172 PolarHBondContact O-N 3.46Å; L172-T178 HydrophobicContact CD1-CG2 3.85Å; L172-T178 HydrophobicContact CD2-CG2 4.03Å; L172-N181 HydrophobicContact CD2-CB 3.61Å
173S96.7Very high96.6Very high1 Ų139.4 Ų39.41%0.00719%0.189CC..  trans-96.6-8-17374.30000113.8D168 H171 T380 P382D168-S173 PolarHBondContact O-N 2.78Å; D168-S173 VanDerWaalsContact O-N 3.08Å; D168-S173 PolarHBondContact O-OG 2.89Å; H171-S173 PolarHBondContact O-N 2.83Å; S173-T380 WeakPolarHBondContact CB-O 3.49Å; S173-P382 WeakPolarHBondContact O-CG 3.39Å
174V97.8Very high96.6Very high9 Ų942.5 Ų42.56%0.05520%0.201CC..SBendtrans-86.2-56.2-178.2-1790000111.8F120 M124 D168 L169 N181F120-V174 HydrophobicContact CB-CG1 3.82Å; F120-V174 HydrophobicContact CD1-CG1 4.23Å; F120-V174 HydrophobicContact CD1-CG2 3.89Å; F120-V174 HydrophobicContact CD2-CB 4.26Å; F120-V174 HydrophobicContact CD2-CG1 3.81Å; F120-V174 HydrophobicContact CD2-CG2 4.35Å; F120-V174 HydrophobicContact CE1-CG2 3.81Å; F120-V174 HydrophobicContact CE2-CB 4.34Å; F120-V174 HydrophobicContact CE2-CG1 4.39Å; F120-V174 HydrophobicContact CE2-CG2 4.24Å; F120-V174 HydrophobicContact CG-CB 4.36Å; F120-V174 HydrophobicContact CG-CG1 3.71Å; F120-V174 HydrophobicContact CG-CG2 4.17Å; F120-V174 HydrophobicContact CZ-CG2 3.98Å; M124-V174 HydrophobicContact CE-CG1 4.25Å; D168-V174 HydrophobicContact CB-CG2 3.6Å; L169-V174 HydrophobicContact CD2-CB 3.79Å; L169-V174 HydrophobicContact CD2-CG1 4.2Å; L169-V174 HydrophobicContact CD2-CG2 3.71Å; L169-V174 HydrophobicContact CG-CB 4.5Å; L169-V174 HydrophobicContact CG-CG2 3.86Å; V174-N181 WeakPolarHBondContact CB-OD1 3.26Å; V174-N181 PolarHBondContact N-OD1 2.81Å
175F96.7Very high96.6Very high56 Ų5642.3 Ų42.325%0.24620%0.2CC..  trans-106.7154.3-177.5-57.3-78.2000111.9K62 M124 L169 S177 T180 N181 F184K62-F175 PolarHBondContact NZ-O 3.5Å; M124-F175 HydrophobicContact CE-CE2 4.18Å; M124-F175 HydrophobicContact CE-CZ 4.1Å; L169-F175 HydrophobicContact CD2-CD2 4.1Å; L169-F175 HydrophobicContact CD2-CE2 3.9Å; F175-S177 VanDerWaalsContact C-N 3.34Å; F175-T180 HydrophobicContact CB-CG2 4.14Å; F175-T180 HydrophobicContact CD1-CG2 3.95Å; F175-T180 HydrophobicContact CD2-CG2 3.66Å; F175-T180 HydrophobicContact CE1-CG2 4.23Å; F175-T180 HydrophobicContact CE2-CG2 3.96Å; F175-T180 HydrophobicContact CG-CG2 3.64Å; F175-T180 HydrophobicContact CZ-CG2 4.23Å; F175-N181 PolarHBondContact N-ND2 2.94Å; F175-N181 PolarHBondContact N-OD1 3.42Å; F175-N181 PolarHBondContact O-ND2 3.33Å; F175-F184 HydrophobicContact CE2-CB 3.94Å; F175-F184 HydrophobicContact CE2-CD1 4.16Å; F175-F184 AromaticContact CE2-CD2 3.67Å; F175-F184 HydrophobicContact CE2-CD2 3.67Å; F175-F184 HydrophobicContact CE2-CE2 4.18Å; F175-F184 AromaticContact CE2-CG 3.65Å; F175-F184 HydrophobicContact CE2-CG 3.65Å; F175-F184 HydrophobicContact CZ-CD1 4.2Å; F175-F184 AromaticContact CZ-CD2 3.97Å; F175-F184 HydrophobicContact CZ-CD2 3.97Å; F175-F184 HydrophobicContact CZ-CE1 4.23Å; F175-F184 AromaticContact CZ-CE2 4Å; F175-F184 HydrophobicContact CZ-CE2 4Å; F175-F184 HydrophobicContact CZ-CG 4.06Å; F175-F184 HydrophobicContact CZ-CZ 4.13Å
176R92.8Very high96.5Very high178 Ų17843 Ų4367%0.67220%0.204SC*.SBendtrans-62.7-43170.3-72.5-173.3175.81580.1111.7K62 D114K62-R176 PolarHBondContact NZ-O 3.19Å; D114-R176 IonicContact OD1-CZ 3.77Å; D114-R176 IonicContact OD1-NE 2.97Å; D114-R176 PolarHBondContact OD1-NE 2.82Å; D114-R176 IonicContact OD1-NH2 2.64Å; D114-R176 PolarHBondContact OD1-NH2 3.46Å; D114-R176 IonicContact OD2-CZ 3.6Å; D114-R176 IonicContact OD2-NE 2.89Å; D114-R176 IonicContact OD2-NH2 3.43Å; D114-R176 PolarHBondContact OD2-NH2 3.19Å
177S93.9Very high96.4Very high54 Ų5445.1 Ų45.138%0.37822%0.215SC..SBendtrans-74121.4178.7171.10000112F175 R179 T180 N181F175-S177 VanDerWaalsContact C-N 3.34Å; S177-R179 VanDerWaalsContact C-N 3.3Å; S177-R179 PolarHBondContact O-N 3.21Å; S177-R179 PolarHBondContact OG-N 3.32Å; S177-T180 VanDerWaalsContact CB-OG1 3.29Å; S177-T180 WeakPolarHBondContact CB-OG1 3.47Å; S177-T180 PolarHBondContact O-N 3.08Å; S177-T180 PolarHBondContact OG-N 2.95Å; S177-T180 PolarHBondContact OG-OG1 3.35Å; S177-T180 VanDerWaalsContact OG-OG1 3.14Å; S177-N181 PolarHBondContact O-N 2.72Å; S177-N181 VanDerWaalsContact O-N 3.15Å; S177-N181 PolarHBondContact O-ND2 3.44Å
178T93.5Very high96.4Very high61 Ų6144.6 Ų44.637%0.37421%0.212SC..Hα-helixtrans-56.7-43.6171.8-60.40000111.5L172 T180 N181 H182L172-T178 HydrophobicContact CD1-CG2 3.85Å; L172-T178 HydrophobicContact CD2-CG2 4.03Å; T178-T180 VanDerWaalsContact C-N 3.33Å; T178-T180 PolarHBondContact O-N 3.48Å; T178-N181 PolarHBondContact O-N 3.27Å; T178-H182 VanDerWaalsContact CG2-NE2 3.34Å; T178-H182 WeakPolarHBondContact CG2-NE2 3.23Å; T178-H182 PolarHBondContact O-CD2 3.29Å; T178-H182 PolarHBondContact O-N 2.93Å
179R95.2Very high96.3Very high193 Ų19344.8 Ų44.873%0.72821%0.213SC*.Hα-helixtrans-59.7-42.5178.1-177.1-179.5177.8-172.40112.1S177 H182 I183S177-R179 VanDerWaalsContact C-N 3.3Å; S177-R179 PolarHBondContact O-N 3.21Å; S177-R179 PolarHBondContact OG-N 3.32Å; R179-H182 PolarHBondContact O-N 3.29Å; R179-I183 HydrophobicContact CG-CD1 4.03Å; R179-I183 WeakPolarHBondContact O-CG1 3.14Å; R179-I183 PolarHBondContact O-N 3.45Å
180T97.1Very high96.3Very high46 Ų4644.9 Ų44.928%0.28221%0.214SC..Hα-helixtrans-66.9-39.5179.3-52.20000111.5F175 S177 T178 H182 I183 F184F175-T180 HydrophobicContact CB-CG2 4.14Å; F175-T180 HydrophobicContact CD1-CG2 3.95Å; F175-T180 HydrophobicContact CD2-CG2 3.66Å; F175-T180 HydrophobicContact CE1-CG2 4.23Å; F175-T180 HydrophobicContact CE2-CG2 3.96Å; F175-T180 HydrophobicContact CG-CG2 3.64Å; F175-T180 HydrophobicContact CZ-CG2 4.23Å; S177-T180 VanDerWaalsContact CB-OG1 3.29Å; S177-T180 WeakPolarHBondContact CB-OG1 3.47Å; S177-T180 PolarHBondContact O-N 3.08Å; S177-T180 PolarHBondContact OG-N 2.95Å; S177-T180 PolarHBondContact OG-OG1 3.35Å; S177-T180 VanDerWaalsContact OG-OG1 3.14Å; T178-T180 VanDerWaalsContact C-N 3.33Å; T178-T180 PolarHBondContact O-N 3.48Å; T180-H182 VanDerWaalsContact C-N 3.34Å; T180-H182 PolarHBondContact O-N 2.83Å; T180-I183 PolarHBondContact O-N 3.2Å; T180-F184 HydrophobicContact CG2-CD2 3.88Å; T180-F184 HydrophobicContact CG2-CE2 3.97Å; T180-F184 WeakPolarHBondContact O-CD2 3.38Å; T180-F184 PolarHBondContact O-N 2.91Å; T180-F184 VanDerWaalsContact O-N 3.08Å
181N97.4Very high96.2Very high0 Ų047.1 Ų47.10%022%0.222CC..Hα-helixtrans-59.7-44.9173-72.8-79.2000111.6L169 L172 V174 F175 S177 T178 F184 H185L169-N181 HydrophobicContact CD2-CB 4.47Å; L172-N181 HydrophobicContact CD2-CB 3.61Å; V174-N181 WeakPolarHBondContact CB-OD1 3.26Å; V174-N181 PolarHBondContact N-OD1 2.81Å; F175-N181 PolarHBondContact N-ND2 2.94Å; F175-N181 PolarHBondContact N-OD1 3.42Å; F175-N181 PolarHBondContact O-ND2 3.33Å; S177-N181 PolarHBondContact O-N 2.72Å; S177-N181 VanDerWaalsContact O-N 3.15Å; S177-N181 PolarHBondContact O-ND2 3.44Å; T178-N181 PolarHBondContact O-N 3.27Å; N181-F184 PolarHBondContact O-N 2.6Å; N181-H185 VanDerWaalsContact O-CB 3.29Å; N181-H185 WeakPolarHBondContact O-CB 3.44Å; N181-H185 PolarHBondContact O-N 3.49Å
182H96Very high96.1Very high68 Ų6846.2 Ų46.232%0.31522%0.218SC..Hα-helixtrans-61.8-46.8178.9-70.1-50.8000113T178 R179 T180 F184 H185 E186T178-H182 VanDerWaalsContact CG2-NE2 3.34Å; T178-H182 WeakPolarHBondContact CG2-NE2 3.23Å; T178-H182 PolarHBondContact O-CD2 3.29Å; T178-H182 PolarHBondContact O-N 2.93Å; R179-H182 PolarHBondContact O-N 3.29Å; T180-H182 VanDerWaalsContact C-N 3.34Å; T180-H182 PolarHBondContact O-N 2.83Å; H182-F184 VanDerWaalsContact C-N 3.35Å; H182-F184 PolarHBondContact O-N 3.18Å; H182-H185 WeakPolarHBondContact O-CB 3.44Å; H182-H185 PolarHBondContact O-N 3.38Å; H182-E186 WeakPolarHBondContact O-CG 3.32Å; H182-E186 PolarHBondContact O-N 3.19Å
183I96.5Very high96Very high68 Ų6845.4 Ų45.435%0.34921%0.214SC..Hα-helixtrans-58.5-48177.7-67.9166.3000110.7R179 T180 H185 E186 I187R179-I183 HydrophobicContact CG-CD1 4.03Å; R179-I183 WeakPolarHBondContact O-CG1 3.14Å; R179-I183 PolarHBondContact O-N 3.45Å; T180-I183 PolarHBondContact O-N 3.2Å; I183-H185 VanDerWaalsContact C-N 3.29Å; I183-H185 PolarHBondContact O-N 3.3Å; I183-E186 PolarHBondContact O-N 2.93Å; I183-I187 HydrophobicContact CG2-CD1 4Å; I183-I187 WeakPolarHBondContact O-CG1 3.33Å; I183-I187 PolarHBondContact O-N 3.47Å; I183-I187 VanDerWaalsContact O-N 3.09Å
184F97.2Very high96Very high70 Ų7045.4 Ų45.431%0.30721%0.213SC..Hα-helixtrans-68.6-30.3177.8-85.4-99.8000112M124 L169 F175 T180 N181 H182 I187 I188M124-F184 HydrophobicContact CE-CD1 3.66Å; M124-F184 HydrophobicContact CE-CE1 4.19Å; M124-F184 HydrophobicContact CE-CG 4.41Å; M124-F184 HydrophobicContact SD-CD1 4.03Å; M124-F184 HydrophobicContact SD-CE1 4Å; L169-F184 HydrophobicContact CD1-CB 3.96Å; L169-F184 HydrophobicContact CD2-CB 3.62Å; L169-F184 HydrophobicContact CG-CB 4.45Å; F175-F184 HydrophobicContact CE2-CB 3.94Å; F175-F184 HydrophobicContact CE2-CD1 4.16Å; F175-F184 AromaticContact CE2-CD2 3.67Å; F175-F184 HydrophobicContact CE2-CD2 3.67Å; F175-F184 HydrophobicContact CE2-CE2 4.18Å; F175-F184 AromaticContact CE2-CG 3.65Å; F175-F184 HydrophobicContact CE2-CG 3.65Å; F175-F184 HydrophobicContact CZ-CD1 4.2Å; F175-F184 AromaticContact CZ-CD2 3.97Å; F175-F184 HydrophobicContact CZ-CD2 3.97Å; F175-F184 HydrophobicContact CZ-CE1 4.23Å; F175-F184 AromaticContact CZ-CE2 4Å; F175-F184 HydrophobicContact CZ-CE2 4Å; F175-F184 HydrophobicContact CZ-CG 4.06Å; F175-F184 HydrophobicContact CZ-CZ 4.13Å; T180-F184 HydrophobicContact CG2-CD2 3.88Å; T180-F184 HydrophobicContact CG2-CE2 3.97Å; T180-F184 WeakPolarHBondContact O-CD2 3.38Å; T180-F184 PolarHBondContact O-N 2.91Å; T180-F184 VanDerWaalsContact O-N 3.08Å; N181-F184 PolarHBondContact O-N 2.6Å; H182-F184 VanDerWaalsContact C-N 3.35Å; H182-F184 PolarHBondContact O-N 3.18Å; F184-I187 PolarHBondContact O-N 2.98Å; F184-I188 WeakPolarHBondContact O-CB 3.3Å; F184-I188 VanDerWaalsContact O-CG1 3.25Å; F184-I188 WeakPolarHBondContact O-CG1 3.24Å; F184-I188 PolarHBondContact O-N 3.17Å
185H97.7Very high96Very high1 Ų145.7 Ų45.71%0.00522%0.217CC..Hα-helixtrans-63.6-45.9175.4-166.3-174.8000111Q166 L169 G170 N181 H182 I183 I187 I188 L189 N201Q166-H185 PolarHBondContact O-CD2 2.89Å; Q166-H185 PolarHBondContact O-NE2 2.96Å; Q166-H185 VanDerWaalsContact O-NE2 3.15Å; Q166-H185 PolarHBondContact OE1-NE2 3.32Å; L169-H185 HydrophobicContact CB-CB 3.85Å; G170-H185 VanDerWaalsContact CA-CE1 3.47Å; G170-H185 WeakPolarHBondContact CA-CE1 3.42Å; G170-H185 WeakPolarHBondContact CA-ND1 3.39Å; N181-H185 VanDerWaalsContact O-CB 3.29Å; N181-H185 WeakPolarHBondContact O-CB 3.44Å; N181-H185 PolarHBondContact O-N 3.49Å; H182-H185 WeakPolarHBondContact O-CB 3.44Å; H182-H185 PolarHBondContact O-N 3.38Å; I183-H185 VanDerWaalsContact C-N 3.29Å; I183-H185 PolarHBondContact O-N 3.3Å; H185-I187 VanDerWaalsContact C-N 3.35Å; H185-I187 PolarHBondContact O-N 3.46Å; H185-I188 PolarHBondContact O-N 3.39Å; H185-L189 WeakPolarHBondContact O-CB 3.45Å; H185-L189 PolarHBondContact O-N 3.46Å; H185-N201 PolarHBondContact CE1-ND2 3.22Å; H185-N201 VanDerWaalsContact CE1-ND2 3.28Å; H185-N201 PolarHBondContact CE1-OD1 3.42Å; H185-N201 PolarHBondContact ND1-ND2 2.82Å; H185-N201 VanDerWaalsContact ND1-ND2 3.17Å
186E96.2Very high96.1Very high16 Ų1643 Ų438%0.07521%0.205CC..Iπ-helixtrans-61.6-41.4175.9-72.9163.8-175.700112H182 I183 G190 L191 C197 Y288H182-E186 WeakPolarHBondContact O-CG 3.32Å; H182-E186 PolarHBondContact O-N 3.19Å; I183-E186 PolarHBondContact O-N 2.93Å; E186-G190 WeakPolarHBondContact O-CA 3.31Å; E186-G190 PolarHBondContact O-N 2.94Å; E186-L191 PolarHBondContact O-N 3.1Å; E186-C197 VanDerWaalsContact CG-SG 3.52Å; E186-Y288 HydrophobicContact CB-CD2 3.99Å; E186-Y288 HydrophobicContact CB-CE1 4.41Å; E186-Y288 HydrophobicContact CB-CE2 3.56Å; E186-Y288 HydrophobicContact CG-CD2 4.48Å; E186-Y288 HydrophobicContact CG-CE2 4.08Å; E186-Y288 PolarHBondContact OE2-OH 2.93Å
187I95.5Very high96.2Very high49 Ų4934.7 Ų34.725%0.25117%0.174SC..Iπ-helixtrans-64.9-52175.8-66.5166.3000110.7I183 F184 H185 L191 T192 Y288I183-I187 HydrophobicContact CG2-CD1 4Å; I183-I187 WeakPolarHBondContact O-CG1 3.33Å; I183-I187 PolarHBondContact O-N 3.47Å; I183-I187 VanDerWaalsContact O-N 3.09Å; F184-I187 PolarHBondContact O-N 2.98Å; H185-I187 VanDerWaalsContact C-N 3.35Å; H185-I187 PolarHBondContact O-N 3.46Å; I187-L191 WeakPolarHBondContact O-CA 3.1Å; I187-L191 VanDerWaalsContact O-CB 3.3Å; I187-L191 WeakPolarHBondContact O-CB 3.22Å; I187-L191 PolarHBondContact O-N 3.47Å; I187-T192 PolarHBondContact O-N 3.47Å; I187-Y288 HydrophobicContact CG1-CE1 4.25Å
188I97.4Very high96.3Very high1 Ų134 Ų341%0.00517%0.165CC..Iπ-helixtrans-70.6-44.5-174.5-61.3-63.1000111.3F128 A162 L165 Q166 L169 F184 H185 T192 K193F128-I188 HydrophobicContact CE2-CD1 4.05Å; F128-I188 HydrophobicContact CZ-CD1 3.8Å; A162-I188 HydrophobicContact CB-CG2 4.2Å; L165-I188 HydrophobicContact CB-CG2 4.39Å; L165-I188 HydrophobicContact CD2-CD1 3.74Å; L165-I188 HydrophobicContact CD2-CG1 3.85Å; L165-I188 HydrophobicContact CD2-CG2 4.12Å; L165-I188 HydrophobicContact CG-CG1 4.42Å; L165-I188 HydrophobicContact CG-CG2 4.34Å; Q166-I188 HydrophobicContact CB-CB 4.45Å; Q166-I188 HydrophobicContact CB-CG2 3.91Å; L169-I188 HydrophobicContact CD1-CB 4.12Å; L169-I188 HydrophobicContact CD1-CG1 3.79Å; F184-I188 WeakPolarHBondContact O-CB 3.3Å; F184-I188 VanDerWaalsContact O-CG1 3.25Å; F184-I188 WeakPolarHBondContact O-CG1 3.24Å; F184-I188 PolarHBondContact O-N 3.17Å; H185-I188 PolarHBondContact O-N 3.39Å; I188-T192 VanDerWaalsContact O-CB 3.25Å; I188-T192 WeakPolarHBondContact O-CB 3.4Å; I188-K193 WeakPolarHBondContact O-CG 3.29Å; I188-K193 PolarHBondContact O-N 2.66Å
189L97.5Very high96.4Very high7 Ų731.6 Ų31.64%0.03715%0.149CC..Iπ-helixtrans-84-42.6-179-175.452.9000112.5Q166 H185 K193 G194 A195 C197 W200Q166-L189 HydrophobicContact CB-CB 3.99Å; Q166-L189 HydrophobicContact CG-CB 4.38Å; Q166-L189 HydrophobicContact CG-CD1 4.19Å; H185-L189 WeakPolarHBondContact O-CB 3.45Å; H185-L189 PolarHBondContact O-N 3.46Å; L189-K193 HydrophobicContact CD1-CB 4.19Å; L189-K193 HydrophobicContact CD1-CD 3.94Å; L189-K193 CarbonylContact O-C 3.38Å; L189-K193 WeakPolarHBondContact O-CB 3.45Å; L189-K193 PolarHBondContact O-N 3.35Å; L189-G194 PolarHBondContact O-N 2.82Å; L189-G194 VanDerWaalsContact O-N 3.1Å; L189-A195 CarbonylContact C-O 3.55Å; L189-A195 HydrophobicContact CD1-CB 3.83Å; L189-A195 HydrophobicContact CG-CB 4.19Å; L189-A195 PolarHBondContact O-N 3.04Å; L189-A195 VanDerWaalsContact O-N 3.08Å; L189-C197 HydrophobicContact CB-CB 4.44Å; L189-C197 HydrophobicContact CD2-CB 4.07Å; L189-W200 HydrophobicContact CD2-CB 3.57Å; L189-W200 HydrophobicContact CD2-CG 3.92Å
190G96.9Very high96.5Very high2 Ų223.7 Ų23.72%0.02112%0.119CC..Iπ-helixtrans-73.8-64.2-179.400000112.2E186 G194 A195 F292E186-G190 WeakPolarHBondContact O-CA 3.31Å; E186-G190 PolarHBondContact O-N 2.94Å; G190-G194 WeakPolarHBondContact O-CA 3.41Å; G190-G194 PolarHBondContact O-N 2.76Å; G190-A195 WeakPolarHBondContact CA-O 3.1Å; G190-A195 PolarHBondContact N-O 3.27Å; G190-F292 WeakPolarHBondContact O-CB 3.35Å
191L94.5Very high96.4Very high63 Ų6322.7 Ų22.733%0.3311%0.112SC..Iπ-helixtrans-78-32.6-172.8-170.862.5000114.1E186 I187 Y288 F292 K295E186-L191 PolarHBondContact O-N 3.1Å; I187-L191 WeakPolarHBondContact O-CA 3.1Å; I187-L191 VanDerWaalsContact O-CB 3.3Å; I187-L191 WeakPolarHBondContact O-CB 3.22Å; I187-L191 PolarHBondContact O-N 3.47Å; L191-Y288 HydrophobicContact CB-CD1 4.16Å; L191-F292 WeakPolarHBondContact O-CB 3.32Å; L191-F292 WeakPolarHBondContact O-CD2 3.35Å; L191-K295 PolarHBondContact O-NZ 3.44Å
192T94.7Very high96.3Very high2 Ų224.9 Ų24.91%0.01212%0.122CC..THydrogen-bonded Turntrans-90.2-28.3-178.4-59.20000113.3V127 Q159 A162 I187 I188 F292V127-T192 HydrophobicContact CG1-CG2 4.1Å; Q159-T192 PolarHBondContact NE2-O 3.12Å; A162-T192 HydrophobicContact CB-CG2 4.36Å; I187-T192 PolarHBondContact O-N 3.47Å; I188-T192 VanDerWaalsContact O-CB 3.25Å; I188-T192 WeakPolarHBondContact O-CB 3.4Å; T192-F292 WeakPolarHBondContact O-CD2 3.38Å; T192-F292 VanDerWaalsContact O-CE2 3.27Å; T192-F292 WeakPolarHBondContact O-CE2 3.41Å
193K95.4Very high96.3Very high9 Ų923.5 Ų23.54%0.03912%0.116CC..THydrogen-bonded Turntrans-118.4-16.4-176.5-51.9-179.366.263.20114.9Q159 A162 S163 Q166 I188 L189 E320Q159-K193 PolarHBondContact O-NZ 3.13Å; A162-K193 HydrophobicContact CB-CD 3.93Å; A162-K193 HydrophobicContact CB-CG 4.08Å; S163-K193 WeakPolarHBondContact OG-CE 3.27Å; S163-K193 PolarHBondContact OG-NZ 3.13Å; Q166-K193 HydrophobicContact CG-CD 4.38Å; I188-K193 WeakPolarHBondContact O-CG 3.29Å; I188-K193 PolarHBondContact O-N 2.66Å; L189-K193 HydrophobicContact CD1-CB 4.19Å; L189-K193 HydrophobicContact CD1-CD 3.94Å; L189-K193 CarbonylContact O-C 3.38Å; L189-K193 WeakPolarHBondContact O-CB 3.45Å; L189-K193 PolarHBondContact O-N 3.35Å; K193-E320 WeakPolarHBondContact CE-OE1 3.28Å; K193-E320 IonicContact NZ-OE1 3.17Å; K193-E320 PolarHBondContact NZ-OE1 2.95Å; K193-E320 IonicContact NZ-OE2 3.89Å
194G96.7Very high96.3Very high0 Ų021.3 Ų21.30%011%0.105CC..  trans7540.3178.400000114.2L189 G190 Q270 F292L189-G194 PolarHBondContact O-N 2.82Å; L189-G194 VanDerWaalsContact O-N 3.1Å; G190-G194 WeakPolarHBondContact O-CA 3.41Å; G190-G194 PolarHBondContact O-N 2.76Å; G194-Q270 PolarHBondContact O-NE2 3.5Å; G194-Q270 PolarHBondContact O-OE1 3.31Å; G194-F292 VanDerWaalsContact CA-CG 3.49Å
195A97.6Very high96.3Very high15 Ų1519.6 Ų19.612%0.12410%0.101CC..  trans-135.8157.2174.400000113.8L189 G190 C197L189-A195 CarbonylContact C-O 3.55Å; L189-A195 HydrophobicContact CD1-CB 3.83Å; L189-A195 HydrophobicContact CG-CB 4.19Å; L189-A195 PolarHBondContact O-N 3.04Å; L189-A195 VanDerWaalsContact O-N 3.08Å; G190-A195 WeakPolarHBondContact CA-O 3.1Å; G190-A195 PolarHBondContact N-O 3.27Å; A195-C197 PolarHBondContact O-N 3.28Å
196S97.4Very high96.3Very high0 Ų019.6 Ų19.60%010%0.101CC..  trans-72.2122.8177.21620000111.2H198 W199 W200 S273 D285S196-H198 VanDerWaalsContact C-N 3.3Å; S196-H198 PolarHBondContact O-N 3.3Å; S196-H198 PolarHBondContact OG-N 2.91Å; S196-W199 WeakPolarHBondContact OG-CB 3.39Å; S196-W199 PolarHBondContact OG-N 2.76Å; S196-W200 PolarHBondContact O-N 3.25Å; S196-W200 VanDerWaalsContact O-N 3.16Å; S196-S273 PolarHBondContact N-OG 3.41Å; S196-D285 WeakPolarHBondContact CB-OD2 3.37Å; S196-D285 PolarHBondContact OG-OD2 3.28Å
197C95.7Very high96.3Very high3 Ų319.2 Ų19.22%0.0210%0.099CC..Hα-helixtrans-68.6-31.9177.271.80000112.5E186 L189 A195 N201 D285E186-C197 VanDerWaalsContact CG-SG 3.52Å; L189-C197 HydrophobicContact CB-CB 4.44Å; L189-C197 HydrophobicContact CD2-CB 4.07Å; A195-C197 PolarHBondContact O-N 3.28Å; C197-N201 WeakPolarHBondContact O-CB 3.5Å; C197-N201 PolarHBondContact O-N 3.4Å; C197-N201 PolarHBondContact O-ND2 3.34Å; C197-D285 PolarHBondContact SG-OD1 3.23Å
198H95.3Very high96.4Very high41 Ų4116.9 Ų16.919%0.199%0.087CC..Hα-helixtrans-75.3-37.1178.8-66.40.8000112.7S196 H202 R282 D285S196-H198 VanDerWaalsContact C-N 3.3Å; S196-H198 PolarHBondContact O-N 3.3Å; S196-H198 PolarHBondContact OG-N 2.91Å; H198-H202 VanDerWaalsContact O-CB 3.24Å; H198-H202 WeakPolarHBondContact O-CB 3.18Å; H198-H202 PolarHBondContact O-N 3.42Å; H198-R282 PolarHBondContact CD2-NH1 2.92Å; H198-R282 PolarHBondContact NE2-NH1 3.28Å; H198-D285 IonicContact CD2-OD2 3.72Å; H198-D285 IonicContact CG-OD2 2.65Å
199W96.2Very high96.4Very high10 Ų1016.9 Ų16.94%0.0389%0.087CC..Hα-helixtrans-58.6-50.9170.1169.368.5000110.4S196 H202 M203 F269 M272 H276S196-W199 WeakPolarHBondContact OG-CB 3.39Å; S196-W199 PolarHBondContact OG-N 2.76Å; W199-H202 PolarHBondContact O-N 3Å; W199-M203 WeakPolarHBondContact O-CG 3.5Å; W199-M203 PolarHBondContact O-N 2.93Å; W199-M203 VanDerWaalsContact O-N 3.12Å; W199-F269 HydrophobicContact CH2-CB 3.74Å; W199-F269 AromaticContact CH2-CD1 3.62Å; W199-F269 HydrophobicContact CH2-CD1 3.62Å; W199-F269 AromaticContact CH2-CD2 3.8Å; W199-F269 HydrophobicContact CH2-CD2 3.8Å; W199-F269 HydrophobicContact CH2-CE1 4.09Å; W199-F269 HydrophobicContact CH2-CE2 4.23Å; W199-F269 AromaticContact CH2-CG 3.47Å; W199-F269 HydrophobicContact CH2-CG 3.47Å; W199-F269 VanDerWaalsContact CH2-CG 3.47Å; W199-F269 HydrophobicContact CH2-CZ 4.38Å; W199-F269 HydrophobicContact CZ2-CD1 4.09Å; W199-F269 HydrophobicContact CZ2-CE1 4.49Å; W199-F269 HydrophobicContact CZ2-CG 4.34Å; W199-F269 HydrophobicContact CZ3-CB 4.27Å; W199-F269 HydrophobicContact CZ3-CD2 4.32Å; W199-F269 HydrophobicContact CZ3-CG 4.26Å; W199-M272 HydrophobicContact CZ2-CB 3.76Å; W199-H276 HydrophobicContact CB-CB 3.71Å; W199-H276 HydrophobicContact CG-CB 3.95Å
200W96.7Very high96.4Very high27 Ų2716.6 Ų16.610%0.1029%0.086CC..Hα-helixtrans-56.6-55.8177.7178.7-93.5000111.3Q166 L189 S196 H202 M203 H204 F269 F324Q166-W200 VanDerWaalsContact NE2-CE2 3.28Å; Q166-W200 VanDerWaalsContact OE1-CD1 3.26Å; L189-W200 HydrophobicContact CD2-CB 3.57Å; L189-W200 HydrophobicContact CD2-CG 3.92Å; S196-W200 PolarHBondContact O-N 3.25Å; S196-W200 VanDerWaalsContact O-N 3.16Å; W200-H202 VanDerWaalsContact C-N 3.26Å; W200-H202 PolarHBondContact O-N 3.39Å; W200-M203 PolarHBondContact O-N 3.33Å; W200-M203 VanDerWaalsContact O-N 3.11Å; W200-H204 AromaticContact NE1-CG 3.96Å; W200-H204 WeakPolarHBondContact O-CB 3.19Å; W200-H204 PolarHBondContact O-N 2.93Å; W200-F269 AromaticContact CZ3-CE2 3.85Å; W200-F269 HydrophobicContact CZ3-CE2 3.85Å; W200-F269 HydrophobicContact CZ3-CZ 4.46Å; W200-F324 AromaticContact CH2-CE2 3.8Å; W200-F324 HydrophobicContact CH2-CE2 3.8Å; W200-F324 AromaticContact CH2-CZ 3.79Å; W200-F324 HydrophobicContact CH2-CZ 3.79Å; W200-F324 HydrophobicContact CZ3-CZ 4.44Å
201N95.8Very high96.5Very high25 Ų2516.6 Ų16.613%0.1349%0.085CC..Hα-helixtrans-58.6-37.2-179.3-79-22.5000112.6G170 H185 C197 S205G170-N201 WeakPolarHBondContact CA-OD1 3.35Å; H185-N201 PolarHBondContact CE1-ND2 3.22Å; H185-N201 VanDerWaalsContact CE1-ND2 3.28Å; H185-N201 PolarHBondContact CE1-OD1 3.42Å; H185-N201 PolarHBondContact ND1-ND2 2.82Å; H185-N201 VanDerWaalsContact ND1-ND2 3.17Å; C197-N201 WeakPolarHBondContact O-CB 3.5Å; C197-N201 PolarHBondContact O-N 3.4Å; C197-N201 PolarHBondContact O-ND2 3.34Å; N201-S205 WeakPolarHBondContact O-CB 3.27Å; N201-S205 PolarHBondContact O-N 3.16Å; N201-S205 PolarHBondContact O-OG 3.24Å
202H95.1Very high96.5Very high45 Ų4514.1 Ų14.121%0.2087%0.072CC..Hα-helixtrans-64.7-42.6177.8-178.760.5000112.4H198 W199 W200 Q206H198-H202 VanDerWaalsContact O-CB 3.24Å; H198-H202 WeakPolarHBondContact O-CB 3.18Å; H198-H202 PolarHBondContact O-N 3.42Å; W199-H202 PolarHBondContact O-N 3Å; W200-H202 VanDerWaalsContact C-N 3.26Å; W200-H202 PolarHBondContact O-N 3.39Å; H202-Q206 PolarHBondContact CD2-NE2 2.9Å; H202-Q206 PolarHBondContact NE2-NE2 3.33Å; H202-Q206 WeakPolarHBondContact O-CG 3.43Å; H202-Q206 PolarHBondContact O-NE2 2.88Å
203M95.9Very high96.7Very high39 Ų3914.3 Ų14.319%0.1927%0.073CC..Hα-helixtrans-71.3-50.4178.5-63.1-62.6-78.300110.5W199 W200 S205 Q206 H207 P218W199-M203 WeakPolarHBondContact O-CG 3.5Å; W199-M203 PolarHBondContact O-N 2.93Å; W199-M203 VanDerWaalsContact O-N 3.12Å; W200-M203 PolarHBondContact O-N 3.33Å; W200-M203 VanDerWaalsContact O-N 3.11Å; M203-S205 VanDerWaalsContact C-N 3.35Å; M203-S205 PolarHBondContact O-N 3.24Å; M203-Q206 WeakPolarHBondContact O-CB 3.37Å; M203-Q206 PolarHBondContact O-N 2.86Å; M203-H207 PolarHBondContact O-N 2.84Å; M203-H207 VanDerWaalsContact O-N 3.08Å; M203-P218 HydrophobicContact CB-CG 4.33Å; M203-P218 HydrophobicContact CE-CB 3.17Å; M203-P218 HydrophobicContact CE-CG 3.96Å; M203-P218 WeakPolarHBondContact O-CG 3.49Å; M203-P218 HydrophobicContact SD-CB 4.09Å; M203-P218 HydrophobicContact SD-CG 4.48Å
204H96.3Very high96.6Very high23 Ų2314.1 Ų14.111%0.1067%0.073CC..Hα-helixtrans-60.4-40.5-178.5-163.356.7000113H167 H171 W200 Q206 H207 H208H167-H204 AromaticContact CD2-CD2 3.95Å; H167-H204 AromaticContact CD2-CE1 3.44Å; H167-H204 PolarHBondContact CD2-CE1 3.24Å; H167-H204 VanDerWaalsContact CD2-CE1 3.44Å; H167-H204 AromaticContact CD2-NE2 3.13Å; H167-H204 PolarHBondContact CD2-NE2 3.38Å; H167-H204 AromaticContact NE2-CE1 3.23Å; H167-H204 PolarHBondContact NE2-CE1 3.23Å; H167-H204 AromaticContact NE2-NE2 2.96Å; H167-H204 PolarHBondContact NE2-NE2 3.33Å; H171-H204 AromaticContact CD2-NE2 3.83Å; H171-H204 AromaticContact CE1-CD2 3.67Å; H171-H204 AromaticContact CE1-NE2 3.45Å; H171-H204 PolarHBondContact CE1-NE2 3.32Å; H171-H204 AromaticContact NE2-CD2 3.4Å; H171-H204 PolarHBondContact NE2-CD2 3.21Å; H171-H204 AromaticContact NE2-NE2 2.83Å; H171-H204 PolarHBondContact NE2-NE2 3.38Å; W200-H204 AromaticContact NE1-CG 3.96Å; W200-H204 WeakPolarHBondContact O-CB 3.19Å; W200-H204 PolarHBondContact O-N 2.93Å; H204-Q206 VanDerWaalsContact C-N 3.27Å; H204-Q206 PolarHBondContact O-N 3.46Å; H204-H207 WeakPolarHBondContact O-CB 3.48Å; H204-H207 PolarHBondContact O-N 2.84Å; H204-H208 AromaticContact CD2-CD2 3.61Å; H204-H208 AromaticContact CD2-NE2 3.82Å; H204-H208 AromaticContact CE1-CD2 3.4Å; H204-H208 PolarHBondContact CE1-CD2 3.09Å; H204-H208 VanDerWaalsContact CE1-CD2 3.4Å; H204-H208 AromaticContact CE1-NE2 3.07Å; H204-H208 PolarHBondContact CE1-NE2 3Å; H204-H208 AromaticContact ND1-CD2 3.93Å; H204-H208 AromaticContact NE2-CD2 3.19Å; H204-H208 PolarHBondContact NE2-CD2 2.72Å; H204-H208 AromaticContact NE2-NE2 2.92Å; H204-H208 PolarHBondContact NE2-NE2 3.32Å; H204-H208 PolarHBondContact O-CD2 3.34Å; H204-H208 PolarHBondContact O-N 3.25Å
205S96.9Very high96.5Very high33 Ų3317.3 Ų17.323%0.2319%0.09CC..Hα-helixtrans-63.8-31.4175.4-58.20000112.8N201 M203 A209N201-S205 WeakPolarHBondContact O-CB 3.27Å; N201-S205 PolarHBondContact O-N 3.16Å; N201-S205 PolarHBondContact O-OG 3.24Å; M203-S205 VanDerWaalsContact C-N 3.35Å; M203-S205 PolarHBondContact O-N 3.24Å; S205-A209 VanDerWaalsContact O-CB 3.29Å; S205-A209 WeakPolarHBondContact O-CB 3.4Å; S205-A209 PolarHBondContact O-N 3.39Å; S205-A209 VanDerWaalsContact O-N 3.1Å
206Q97.7Very high96.4Very high1 Ų118.5 Ų18.51%0.0059%0.092CC..Hα-helixtrans-73.1-40.5175.4-71169.791.400111.3K43 V44 H202 M203 H204 A209 K210 P218K43-Q206 HydrophobicContact CB-CG 4.35Å; V44-Q206 HydrophobicContact CG2-CG 3.6Å; H202-Q206 PolarHBondContact CD2-NE2 2.9Å; H202-Q206 PolarHBondContact NE2-NE2 3.33Å; H202-Q206 WeakPolarHBondContact O-CG 3.43Å; H202-Q206 PolarHBondContact O-NE2 2.88Å; M203-Q206 WeakPolarHBondContact O-CB 3.37Å; M203-Q206 PolarHBondContact O-N 2.86Å; H204-Q206 VanDerWaalsContact C-N 3.27Å; H204-Q206 PolarHBondContact O-N 3.46Å; Q206-A209 PolarHBondContact O-N 3.36Å; Q206-K210 PolarHBondContact O-N 3.45Å; Q206-P218 HydrophobicContact CB-CG 4.23Å
207H97.5Very high96.3Very high8 Ų818.5 Ų18.54%0.0379%0.092CC..Hα-helixtrans-57.8-52.1174.2172.270.6000111M203 H204 A209 K210 P211 D217 D219 H332 H376M203-H207 PolarHBondContact O-N 2.84Å; M203-H207 VanDerWaalsContact O-N 3.08Å; H204-H207 WeakPolarHBondContact O-CB 3.48Å; H204-H207 PolarHBondContact O-N 2.84Å; H207-A209 VanDerWaalsContact C-N 3.27Å; H207-A209 PolarHBondContact O-N 3.03Å; H207-K210 CarbonylContact O-C 3.56Å; H207-K210 PolarHBondContact O-N 3.21Å; H207-P211 VanDerWaalsContact O-CA 3.23Å; H207-P211 WeakPolarHBondContact O-CA 3.42Å; H207-P211 WeakPolarHBondContact O-CB 3.11Å; H207-P211 VanDerWaalsContact O-CD 3.23Å; H207-P211 WeakPolarHBondContact O-CD 3.36Å; H207-D217 IonicContact CE1-OD2 3.65Å; H207-D217 IonicContact CG-OD1 3.28Å; H207-D217 IonicContact ND1-OD1 3.02Å; H207-D217 PolarHBondContact ND1-OD1 3.39Å; H207-D217 IonicContact ND1-OD2 3.22Å; H207-D217 PolarHBondContact ND1-OD2 2.93Å; H207-D219 IonicContact CE1-OD2 3.33Å; H207-D219 IonicContact CG-OD2 3.87Å; H207-D219 IonicContact ND1-OD2 3.31Å; H207-D219 PolarHBondContact ND1-OD2 3.33Å; H207-H332 AromaticContact CE1-CD2 3.98Å; H207-H332 AromaticContact CE1-CE1 3.4Å; H207-H332 PolarHBondContact CE1-CE1 3.27Å; H207-H332 VanDerWaalsContact CE1-CE1 3.4Å; H207-H332 AromaticContact CE1-ND1 3.74Å; H207-H332 AromaticContact CE1-NE2 3.61Å; H207-H332 AromaticContact NE2-CD2 4Å; H207-H332 AromaticContact NE2-CE1 3.28Å; H207-H332 PolarHBondContact NE2-CE1 2.93Å; H207-H332 VanDerWaalsContact NE2-CE1 3.28Å; H207-H332 AromaticContact NE2-NE2 3.25Å; H207-H332 PolarHBondContact NE2-NE2 3.34Å; H207-H376 AromaticContact CD2-CE1 3.79Å; H207-H376 AromaticContact NE2-CE1 3.35Å; H207-H376 PolarHBondContact NE2-CE1 2.74Å; H207-H376 VanDerWaalsContact NE2-CE1 3.35Å; H207-H376 AromaticContact NE2-NE2 3.47Å; H207-H376 PolarHBondContact NE2-NE2 3.45Å
208H97.8Very high96.3Very high1 Ų118.9 Ų18.91%0.00510%0.095CC..Hα-helixtrans-62.8-32176.5-82.9-76.5000113.9F60 H171 H204 Q349 H375 H376F60-H208 HydrophobicContact CE1-CB 3.76Å; F60-H208 HydrophobicContact CZ-CB 3.45Å; F60-H208 VanDerWaalsContact CZ-CB 3.45Å; H171-H208 AromaticContact CE1-CD2 3.54Å; H171-H208 AromaticContact CE1-CE1 3.95Å; H171-H208 AromaticContact CE1-NE2 3.45Å; H171-H208 PolarHBondContact CE1-NE2 3.19Å; H171-H208 AromaticContact NE2-CD2 3.84Å; H171-H208 AromaticContact NE2-CE1 3.97Å; H171-H208 AromaticContact NE2-NE2 3.34Å; H171-H208 PolarHBondContact NE2-NE2 3.1Å; H204-H208 AromaticContact CD2-CD2 3.61Å; H204-H208 AromaticContact CD2-NE2 3.82Å; H204-H208 AromaticContact CE1-CD2 3.4Å; H204-H208 PolarHBondContact CE1-CD2 3.09Å; H204-H208 VanDerWaalsContact CE1-CD2 3.4Å; H204-H208 AromaticContact CE1-NE2 3.07Å; H204-H208 PolarHBondContact CE1-NE2 3Å; H204-H208 AromaticContact ND1-CD2 3.93Å; H204-H208 AromaticContact NE2-CD2 3.19Å; H204-H208 PolarHBondContact NE2-CD2 2.72Å; H204-H208 AromaticContact NE2-NE2 2.92Å; H204-H208 PolarHBondContact NE2-NE2 3.32Å; H204-H208 PolarHBondContact O-CD2 3.34Å; H204-H208 PolarHBondContact O-N 3.25Å; H208-Q349 PolarHBondContact O-NE2 2.81Å; H208-Q349 PolarHBondContact O-OE1 2.75Å; H208-H375 AromaticContact CE1-CD2 3.54Å; H208-H375 AromaticContact CE1-CE1 3.8Å; H208-H375 AromaticContact CE1-NE2 3.03Å; H208-H375 PolarHBondContact CE1-NE2 3.42Å; H208-H375 AromaticContact NE2-NE2 3.27Å; H208-H375 PolarHBondContact NE2-NE2 2.89Å; H208-H376 AromaticContact CE1-CD2 3.63Å; H208-H376 AromaticContact CE1-CE1 3.73Å; H208-H376 AromaticContact CE1-CG 3.96Å; H208-H376 AromaticContact CE1-NE2 3.48Å; H208-H376 PolarHBondContact CE1-NE2 2.88Å; H208-H376 AromaticContact ND1-CD2 3.9Å; H208-H376 AromaticContact ND1-CE1 3.58Å; H208-H376 AromaticContact ND1-CG 3.77Å; H208-H376 AromaticContact ND1-ND1 3.57Å; H208-H376 AromaticContact ND1-NE2 3.8Å
209A97.4Very high96.1Very high0 Ų020.3 Ų20.30%010%0.104CC..Hα-helixtrans-66-49178.900000110.7V44 Y48 F60 S205 Q206 H207V44-A209 HydrophobicContact CG1-CB 4.26Å; Y48-A209 HydrophobicContact CE2-CB 3.82Å; Y48-A209 VanDerWaalsContact OH-C 3.26Å; Y48-A209 VanDerWaalsContact OH-CA 3.28Å; Y48-A209 WeakPolarHBondContact OH-CA 3.44Å; Y48-A209 PolarHBondContact OH-O 3Å; F60-A209 HydrophobicContact CE2-CB 4.17Å; F60-A209 HydrophobicContact CZ-CB 4.36Å; S205-A209 VanDerWaalsContact O-CB 3.29Å; S205-A209 WeakPolarHBondContact O-CB 3.4Å; S205-A209 PolarHBondContact O-N 3.39Å; S205-A209 VanDerWaalsContact O-N 3.1Å; Q206-A209 PolarHBondContact O-N 3.36Å; H207-A209 VanDerWaalsContact C-N 3.27Å; H207-A209 PolarHBondContact O-N 3.03Å
210K97.5Very high95.8Very high2 Ų220.3 Ų20.31%0.00911%0.105CC..SBendtrans-139.168.7-173.2-68.5-63-163.2159.30110.8H47 Y48 Q206 H207 V213 K216 D217 D340 L348H47-K210 HydrophobicContact CB-CG 3.77Å; H47-K210 VanDerWaalsContact O-CE 3.26Å; H47-K210 WeakPolarHBondContact O-CE 3.43Å; Y48-K210 HydrophobicContact CE1-CD 4.29Å; Q206-K210 PolarHBondContact O-N 3.45Å; H207-K210 CarbonylContact O-C 3.56Å; H207-K210 PolarHBondContact O-N 3.21Å; K210-V213 HydrophobicContact CB-CB 3.98Å; K210-V213 HydrophobicContact CB-CG2 3.94Å; K210-V213 HydrophobicContact CD-CG2 4.47Å; K210-V213 PolarHBondContact O-N 3.4Å; K210-K216 HydrophobicContact CB-CB 3.91Å; K210-K216 HydrophobicContact CB-CD 4.43Å; K210-K216 HydrophobicContact CG-CB 4.31Å; K210-K216 HydrophobicContact CG-CD 3.99Å; K210-D217 WeakPolarHBondContact O-CB 3.29Å; K210-D340 WeakPolarHBondContact CE-OD2 3.41Å; K210-D340 IonicContact NZ-OD1 2.91Å; K210-D340 PolarHBondContact NZ-OD1 3.18Å; K210-D340 IonicContact NZ-OD2 3.67Å; K210-D340 PolarHBondContact NZ-OD2 2.94Å; K210-L348 HydrophobicContact CD-CD2 3.41Å; K210-L348 VanDerWaalsContact CD-CD2 3.41Å
211P97.3Very high95.3Very high1 Ų123.6 Ų23.61%0.00612%0.117CC..THydrogen-bonded Turntrans-65.4141-175.827.9-35.7000111H207 V213 D217H207-P211 VanDerWaalsContact O-CA 3.23Å; H207-P211 WeakPolarHBondContact O-CA 3.42Å; H207-P211 WeakPolarHBondContact O-CB 3.11Å; H207-P211 VanDerWaalsContact O-CD 3.23Å; H207-P211 WeakPolarHBondContact O-CD 3.36Å; P211-V213 PolarHBondContact O-N 3.17Å; P211-D217 WeakPolarHBondContact CA-OD2 3.47Å
212N96.5Very high94.5Very high11 Ų1125.2 Ų25.26%0.05913%0.126CC..THydrogen-bonded Turntrans57.214.5-178.6-77.319.1000115.6D217 H332 M335 P336 V337 D338N212-D217 PolarHBondContact N-OD2 3.34Å; N212-H332 PolarHBondContact ND2-O 2.62Å; N212-M335 WeakPolarHBondContact ND2-CB 3.34Å; N212-M335 PolarHBondContact ND2-O 2.92Å; N212-P336 VanDerWaalsContact CB-O 3.29Å; N212-P336 WeakPolarHBondContact CB-O 3.45Å; N212-P336 PolarHBondContact ND2-O 3.03Å; N212-V337 HydrophobicContact CB-CG2 4.11Å; N212-V337 WeakPolarHBondContact O-CA 3.49Å; N212-D338 PolarHBondContact O-N 3.22Å
213V97.2Very high94Very high6 Ų623.2 Ų23.24%0.03612%0.116CC..BIsolated β-bridgetrans-90.4119.1177.7-178.30000110.2K210 P211 D215 K216 D217 D338 D340 L348K210-V213 HydrophobicContact CB-CB 3.98Å; K210-V213 HydrophobicContact CB-CG2 3.94Å; K210-V213 HydrophobicContact CD-CG2 4.47Å; K210-V213 PolarHBondContact O-N 3.4Å; P211-V213 PolarHBondContact O-N 3.17Å; V213-D215 PolarHBondContact O-N 3.43Å; V213-K216 HydrophobicContact CB-CB 4.19Å; V213-K216 HydrophobicContact CG1-CB 4.02Å; V213-K216 HydrophobicContact CG1-CD 4.02Å; V213-K216 HydrophobicContact CG1-CG 4.1Å; V213-K216 PolarHBondContact O-N 3.29Å; V213-K216 VanDerWaalsContact O-N 3.11Å; V213-D217 PolarHBondContact O-N 2.93Å; V213-D338 WeakPolarHBondContact CA-O 3.45Å; V213-D340 HydrophobicContact CG1-CB 3.58Å; V213-L348 HydrophobicContact CG2-CD1 3.72Å
214I94.8Very high93.6Very high6 Ų622.8 Ų22.83%0.03112%0.116CC..THydrogen-bonded Turntrans-53.9134.7-179.4-65.8173.9000110.5K216 N231 L232 V337 D338 Y339I214-K216 PolarHBondContact O-N 2.88Å; I214-N231 HydrophobicContact CD1-CB 4.2Å; I214-L232 HydrophobicContact CD1-CB 4.2Å; I214-L232 HydrophobicContact CD1-CD1 4.24Å; I214-L232 HydrophobicContact CG1-CD1 4.36Å; I214-L232 HydrophobicContact CG2-CD1 4.39Å; I214-V337 HydrophobicContact CD1-CG1 4.37Å; I214-V337 HydrophobicContact CG1-CG1 3.83Å; I214-D338 PolarHBondContact N-O 3.04Å; I214-Y339 HydrophobicContact CB-CD1 4.05Å; I214-Y339 HydrophobicContact CB-CE1 4.28Å; I214-Y339 HydrophobicContact CD1-CD2 4.32Å; I214-Y339 HydrophobicContact CD1-CE1 4.49Å; I214-Y339 HydrophobicContact CD1-CE2 4.29Å; I214-Y339 HydrophobicContact CD1-CG 4.45Å; I214-Y339 HydrophobicContact CG2-CD1 4.02Å; I214-Y339 HydrophobicContact CG2-CE1 3.76Å
215D93Very high93.4Very high67 Ų6724.5 Ų24.536%0.35813%0.126SC..THydrogen-bonded Turntrans64.6-5-179.7-55.7-45.2000115.8V213 R221 R235 K242V213-D215 PolarHBondContact O-N 3.43Å; D215-R221 PolarHBondContact O-NH2 2.93Å; D215-R235 IonicContact OD1-CZ 3.89Å; D215-R235 IonicContact OD1-NH1 2.6Å; D215-R235 PolarHBondContact OD1-NH1 3.26Å; D215-R235 IonicContact OD1-NH2 3.35Å; D215-R235 PolarHBondContact OD1-NH2 3.05Å; D215-R235 IonicContact OD2-CZ 2.7Å; D215-R235 IonicContact OD2-NH1 2.72Å; D215-R235 PolarHBondContact OD2-NH1 2.89Å; D215-R235 IonicContact OD2-NH2 2.73Å; D215-K242 IonicContact OD1-NZ 3.51Å; D215-K242 PolarHBondContact OD1-NZ 3.35Å
216K95.7Very high93.2Very high40 Ų4023.7 Ų23.717%0.17412%0.118CC..THydrogen-bonded Turntrans-105.2-50.3173.7-63.4-167.8179.5-173.50112.1H47 K210 V213 I214 P218 D340H47-K216 HydrophobicContact CB-CD 4.14Å; H47-K216 PolarHBondContact CE1-O 2.78Å; H47-K216 PolarHBondContact NE2-O 3.46Å; H47-K216 PolarHBondContact O-NZ 3.17Å; K210-K216 HydrophobicContact CB-CB 3.91Å; K210-K216 HydrophobicContact CB-CD 4.43Å; K210-K216 HydrophobicContact CG-CB 4.31Å; K210-K216 HydrophobicContact CG-CD 3.99Å; V213-K216 HydrophobicContact CB-CB 4.19Å; V213-K216 HydrophobicContact CG1-CB 4.02Å; V213-K216 HydrophobicContact CG1-CD 4.02Å; V213-K216 HydrophobicContact CG1-CG 4.1Å; V213-K216 PolarHBondContact O-N 3.29Å; V213-K216 VanDerWaalsContact O-N 3.11Å; I214-K216 PolarHBondContact O-N 2.88Å; K216-P218 WeakPolarHBondContact O-CD 3.21Å; K216-D340 HydrophobicContact CD-CB 4.35Å; K216-D340 WeakPolarHBondContact CE-OD2 3.25Å; K216-D340 IonicContact NZ-OD2 3.75Å; K216-D340 PolarHBondContact NZ-OD2 3.13Å
217D96.6Very high92.9Very high0 Ų023.7 Ų23.70%012%0.118CC..SBendtrans-70.2120.6171.9-164.9-20.2000109.5H207 K210 P211 N212 V213 D219 T220H207-D217 IonicContact CE1-OD2 3.65Å; H207-D217 IonicContact CG-OD1 3.28Å; H207-D217 IonicContact ND1-OD1 3.02Å; H207-D217 PolarHBondContact ND1-OD1 3.39Å; H207-D217 IonicContact ND1-OD2 3.22Å; H207-D217 PolarHBondContact ND1-OD2 2.93Å; K210-D217 WeakPolarHBondContact O-CB 3.29Å; P211-D217 WeakPolarHBondContact CA-OD2 3.47Å; N212-D217 PolarHBondContact N-OD2 3.34Å; V213-D217 PolarHBondContact O-N 2.93Å; D217-D219 PolarHBondContact O-N 2.88Å; D217-D219 WeakPolarHBondContact OD1-CB 3.38Å; D217-D219 PolarHBondContact OD1-N 3.4Å; D217-T220 HydrophobicContact CB-CG2 3.91Å; D217-T220 PolarHBondContact O-N 2.96Å; D217-T220 PolarHBondContact O-OG1 2.93Å
218P94.7Very high92.7Very high10 Ų1023.9 Ų23.97%0.06512%0.12CC..G310 helixtrans-58.8-27.7171.623.6-33.4000114.2M203 Q206 K216 T220 R221M203-P218 HydrophobicContact CB-CG 4.33Å; M203-P218 HydrophobicContact CE-CB 3.17Å; M203-P218 HydrophobicContact CE-CG 3.96Å; M203-P218 WeakPolarHBondContact O-CG 3.49Å; M203-P218 HydrophobicContact SD-CB 4.09Å; M203-P218 HydrophobicContact SD-CG 4.48Å; Q206-P218 HydrophobicContact CB-CG 4.23Å; K216-P218 WeakPolarHBondContact O-CD 3.21Å; P218-T220 VanDerWaalsContact C-N 3.27Å; P218-T220 PolarHBondContact O-N 3.18Å; P218-R221 WeakPolarHBondContact O-CB 3.47Å; P218-R221 PolarHBondContact O-N 3.41Å
219D92Very high92.3Very high72 Ų7224.6 Ų24.639%0.38513%0.128SC..G310 helixtrans-76.5-18.1-173-65.4-7.2000112.4H207 D217 R221H207-D219 IonicContact CE1-OD2 3.33Å; H207-D219 IonicContact CG-OD2 3.87Å; H207-D219 IonicContact ND1-OD2 3.31Å; H207-D219 PolarHBondContact ND1-OD2 3.33Å; D217-D219 PolarHBondContact O-N 2.88Å; D217-D219 WeakPolarHBondContact OD1-CB 3.38Å; D217-D219 PolarHBondContact OD1-N 3.4Å; D219-R221 VanDerWaalsContact C-N 3.32Å
220T89.5Confident91.9Very high9 Ų929.2 Ų29.26%0.05515%0.152CC..G310 helixtrans-82.5-8.3172.864.60000113.4D217 P218 L222 V337D217-T220 HydrophobicContact CB-CG2 3.91Å; D217-T220 PolarHBondContact O-N 2.96Å; D217-T220 PolarHBondContact O-OG1 2.93Å; P218-T220 VanDerWaalsContact C-N 3.27Å; P218-T220 PolarHBondContact O-N 3.18Å; T220-L222 PolarHBondContact O-N 2.86Å; T220-V337 HydrophobicContact CG2-CG1 3.89Å
221R85.4Confident91.6Very high97 Ų9731.8 Ų31.837%0.36617%0.166SC..  trans-85.247-173.7-57.5-176.5-168.8-160.72.6113D215 P218 D219 E223D215-R221 PolarHBondContact O-NH2 2.93Å; P218-R221 WeakPolarHBondContact O-CB 3.47Å; P218-R221 PolarHBondContact O-N 3.41Å; D219-R221 VanDerWaalsContact C-N 3.32Å; R221-E223 VanDerWaalsContact C-OE2 3.25Å; R221-E223 WeakPolarHBondContact CA-OE2 3.22Å
222L80.7Confident91.3Very high59 Ų5931.9 Ų31.931%0.30917%0.166SC..  trans-104.45.6-177.8-63.2177.9000112.6T220 P224 I225 F226T220-L222 PolarHBondContact O-N 2.86Å; L222-P224 VanDerWaalsContact C-N 3.32Å; L222-P224 WeakPolarHBondContact O-CD 3.42Å; L222-P224 VanDerWaalsContact O-N 3.07Å; L222-I225 CarbonylContact O-C 3.45Å; L222-I225 WeakPolarHBondContact O-CA 3.17Å; L222-I225 PolarHBondContact O-N 3.48Å; L222-F226 CarbonylContact C-O 3.5Å; L222-F226 HydrophobicContact CB-CB 4.22Å; L222-F226 HydrophobicContact CB-CD2 4.36Å; L222-F226 HydrophobicContact CD1-CD2 4.28Å; L222-F226 PolarHBondContact O-N 3.49Å; L222-F226 VanDerWaalsContact O-O 3.13Å
223E83.7Confident91Very high2 Ų231.3 Ų31.31%0.00916%0.164CC..THydrogen-bonded Turntrans-52.9-37-168.1-56.1101.410900114.7R221 I225 F226 L232 R235 K242 Y249R221-E223 VanDerWaalsContact C-OE2 3.25Å; R221-E223 WeakPolarHBondContact CA-OE2 3.22Å; E223-I225 PolarHBondContact O-N 3.3Å; E223-F226 VanDerWaalsContact CA-O 3.26Å; E223-F226 WeakPolarHBondContact CA-O 3.39Å; E223-F226 PolarHBondContact N-O 3Å; E223-L232 HydrophobicContact CG-CD1 3.35Å; E223-L232 HydrophobicContact CG-CD2 4.03Å; E223-L232 HydrophobicContact CG-CG 3.75Å; E223-R235 IonicContact OE1-CZ 2.98Å; E223-R235 IonicContact OE1-NE 3.58Å; E223-R235 IonicContact OE1-NH2 3.7Å; E223-R235 PolarHBondContact OE1-NH2 2.89Å; E223-K242 WeakPolarHBondContact OE1-CE 3.42Å; E223-K242 IonicContact OE1-NZ 2.67Å; E223-K242 PolarHBondContact OE1-NZ 3.16Å; E223-Y249 WeakPolarHBondContact O-CE1 3.4Å; E223-Y249 PolarHBondContact O-OH 3.03Å
224P87.3Confident90.7Very high30 Ų3036.8 Ų36.820%0.19518%0.184CC..THydrogen-bonded Turntrans-56.8-21.4175.6-24.934.5000114.5L222 W243 H246 F247L222-P224 VanDerWaalsContact C-N 3.32Å; L222-P224 WeakPolarHBondContact O-CD 3.42Å; L222-P224 VanDerWaalsContact O-N 3.07Å; P224-W243 HydrophobicContact CG-CD2 3.65Å; P224-W243 HydrophobicContact CG-CE3 3.69Å; P224-W243 HydrophobicContact CG-CG 4.35Å; P224-W243 HydrophobicContact CG-CH2 3.63Å; P224-W243 HydrophobicContact CG-CZ2 3.58Å; P224-W243 HydrophobicContact CG-CZ3 3.68Å; P224-H246 WeakPolarHBondContact O-CA 3.33Å; P224-F247 PolarHBondContact O-N 2.92Å
225I91.2Very high90.5Very high60 Ų6038.5 Ų38.531%0.30819%0.19SC..THydrogen-bonded Turntrans-119.9-43.4-171.9-48.4179.1000112L222 E223 F247 Y255 I259L222-I225 CarbonylContact O-C 3.45Å; L222-I225 WeakPolarHBondContact O-CA 3.17Å; L222-I225 PolarHBondContact O-N 3.48Å; E223-I225 PolarHBondContact O-N 3.3Å; I225-F247 HydrophobicContact CG1-CD2 4.46Å; I225-F247 HydrophobicContact CG2-CD2 4.47Å; I225-Y255 HydrophobicContact CG2-CE2 4.28Å; I225-Y255 PolarHBondContact O-OH 3.31Å; I225-I259 HydrophobicContact CG2-CD1 3.67Å; I225-I259 HydrophobicContact CG2-CG1 4.39Å
226F93Very high90.4Very high16 Ų1635.7 Ų35.77%0.0718%0.175CC..  trans-137.2143.4-175.1-57.5-68.5000111.3L222 E223 Q252 Y255 F256 I259 L420L222-F226 CarbonylContact C-O 3.5Å; L222-F226 HydrophobicContact CB-CB 4.22Å; L222-F226 HydrophobicContact CB-CD2 4.36Å; L222-F226 HydrophobicContact CD1-CD2 4.28Å; L222-F226 PolarHBondContact O-N 3.49Å; L222-F226 VanDerWaalsContact O-O 3.13Å; E223-F226 VanDerWaalsContact CA-O 3.26Å; E223-F226 WeakPolarHBondContact CA-O 3.39Å; E223-F226 PolarHBondContact N-O 3Å; F226-Q252 HydrophobicContact CD1-CB 4.14Å; F226-Y255 AromaticContact CD1-CE2 3.97Å; F226-Y255 HydrophobicContact CD1-CE2 3.97Å; F226-Y255 AromaticContact CE1-CD2 3.87Å; F226-Y255 HydrophobicContact CE1-CD2 3.87Å; F226-Y255 AromaticContact CE1-CE2 3.42Å; F226-Y255 HydrophobicContact CE1-CE2 3.42Å; F226-Y255 VanDerWaalsContact CE1-CE2 3.42Å; F226-Y255 HydrophobicContact CZ-CD2 4.36Å; F226-Y255 HydrophobicContact CZ-CE2 4.11Å; F226-F256 HydrophobicContact CD1-CD2 4.29Å; F226-F256 HydrophobicContact CE1-CB 3.9Å; F226-F256 AromaticContact CE1-CD2 3.66Å; F226-F256 HydrophobicContact CE1-CD2 3.66Å; F226-F256 HydrophobicContact CE1-CG 4.28Å; F226-F256 HydrophobicContact CE2-CD2 4.32Å; F226-F256 HydrophobicContact CZ-CB 4.37Å; F226-F256 AromaticContact CZ-CD2 3.68Å; F226-F256 HydrophobicContact CZ-CD2 3.68Å; F226-F256 HydrophobicContact CZ-CG 4.47Å; F226-I259 HydrophobicContact CZ-CD1 4.45Å; F226-I259 HydrophobicContact CZ-CG1 4.09Å; F226-L420 HydrophobicContact CD1-CD2 4.16Å
227V92.9Very high90Very high0 Ų034.3 Ų34.30%017%0.172CC..  trans-127.4128.4173.1-68.60000109.9L233 A236 Y249 Q252 S423V227-L233 HydrophobicContact CB-CB 4.39Å; V227-L233 HydrophobicContact CG2-CB 4.37Å; V227-A236 HydrophobicContact CG1-CB 3.59Å; V227-Y249 HydrophobicContact CB-CD1 4.39Å; V227-Y249 HydrophobicContact CB-CE1 4.41Å; V227-Y249 HydrophobicContact CG1-CD1 3.99Å; V227-Y249 HydrophobicContact CG1-CD2 4.46Å; V227-Y249 HydrophobicContact CG1-CE1 3.55Å; V227-Y249 HydrophobicContact CG1-CE2 4.07Å; V227-Y249 HydrophobicContact CG1-CG 4.4Å; V227-Y249 HydrophobicContact CG2-CD1 3.71Å; V227-Y249 HydrophobicContact CG2-CD2 4.18Å; V227-Y249 HydrophobicContact CG2-CE1 4.19Å; V227-Y249 HydrophobicContact CG2-CG 3.69Å; V227-Q252 PolarHBondContact O-NE2 3.23Å; V227-Q252 PolarHBondContact O-OE1 3.4Å; V227-S423 VanDerWaalsContact O-CB 3.26Å; V227-S423 WeakPolarHBondContact O-CB 3.45Å
228V92.5Very high89.5Confident13 Ų1335.9 Ų35.98%0.07918%0.182CC..  trans-139.1144.6-179.4-68.30000110.3L232 L333 V337 L420V228-L232 HydrophobicContact CG2-CD2 4.42Å; V228-L232 WeakPolarHBondContact O-CB 3.42Å; V228-L232 WeakPolarHBondContact O-CD2 3.44Å; V228-L333 HydrophobicContact CB-CD1 4.39Å; V228-L333 HydrophobicContact CG1-CD1 3.94Å; V228-L333 HydrophobicContact CG1-CG 4.32Å; V228-L333 HydrophobicContact CG2-CD1 3.99Å; V228-V337 HydrophobicContact CG2-CG2 4.21Å; V228-L420 HydrophobicContact CG1-CD2 4.03Å
229G89.1Confident88.9Confident16 Ų1641 Ų4117%0.16522%0.216CC..SBendtrans77.6152.2-174.700000113.9N231 L232 L233G229-N231 PolarHBondContact O-N 3.46Å; G229-L232 PolarHBondContact O-N 2.81Å; G229-L233 VanDerWaalsContact O-CD2 3.31Å; G229-L233 WeakPolarHBondContact O-CD2 3.15Å; G229-L233 VanDerWaalsContact O-CG 3.3Å; G229-L233 WeakPolarHBondContact O-CG 3.31Å; G229-L233 PolarHBondContact O-N 3.31Å; G229-L233 VanDerWaalsContact O-N 3.08Å
230D89.5Confident88.5Confident97 Ų9746 Ų4652%0.51924%0.237SC..Hα-helixtrans-65.2-38.6-167.8-66.4-19000113.8L233 R234D230-L233 WeakPolarHBondContact O-CG 3.27Å; D230-R234 WeakPolarHBondContact O-CB 3.42Å; D230-R234 WeakPolarHBondContact O-CD 3.49Å; D230-R234 WeakPolarHBondContact O-CG 3.32Å; D230-R234 PolarHBondContact O-N 2.67Å; D230-R234 VanDerWaalsContact O-N 3.11Å
231N91.4Very high88.2Confident56 Ų5646.7 Ų46.730%0.29924%0.242SC..Hα-helixtrans-80.8-33.4-177-74.4-29.1000112.3I214 G229 R235 D338 Y339I214-N231 HydrophobicContact CD1-CB 4.2Å; G229-N231 PolarHBondContact O-N 3.46Å; N231-R235 VanDerWaalsContact O-CB 3.31Å; N231-R235 WeakPolarHBondContact O-CB 3.48Å; N231-R235 PolarHBondContact O-N 2.88Å; N231-D338 VanDerWaalsContact ND2-CG 3.31Å; N231-D338 PolarHBondContact ND2-OD1 3.08Å; N231-Y339 HydrophobicContact CB-CD2 4.1Å; N231-Y339 HydrophobicContact CB-CE2 3.9Å
232L90.6Very high87.9Confident2 Ų247 Ų471%0.0125%0.246CC..Hα-helixtrans-68-43.5175.2-162.160.4000111.4I214 E223 V228 G229 R235 A236 V337I214-L232 HydrophobicContact CD1-CB 4.2Å; I214-L232 HydrophobicContact CD1-CD1 4.24Å; I214-L232 HydrophobicContact CG1-CD1 4.36Å; I214-L232 HydrophobicContact CG2-CD1 4.39Å; E223-L232 HydrophobicContact CG-CD1 3.35Å; E223-L232 HydrophobicContact CG-CD2 4.03Å; E223-L232 HydrophobicContact CG-CG 3.75Å; V228-L232 HydrophobicContact CG2-CD2 4.42Å; V228-L232 WeakPolarHBondContact O-CB 3.42Å; V228-L232 WeakPolarHBondContact O-CD2 3.44Å; G229-L232 PolarHBondContact O-N 2.81Å; L232-R235 PolarHBondContact O-N 3.06Å; L232-A236 WeakPolarHBondContact O-CB 3.2Å; L232-A236 PolarHBondContact O-N 3.35Å; L232-V337 HydrophobicContact CD2-CG1 4.43Å
233L91Very high88Confident0 Ų048.9 Ų48.90%025%0.249CC..Hα-helixtrans-67-37.817772.185.8000112V227 G229 D230 A236 A237 L426 V430V227-L233 HydrophobicContact CB-CB 4.39Å; V227-L233 HydrophobicContact CG2-CB 4.37Å; G229-L233 VanDerWaalsContact O-CD2 3.31Å; G229-L233 WeakPolarHBondContact O-CD2 3.15Å; G229-L233 VanDerWaalsContact O-CG 3.3Å; G229-L233 WeakPolarHBondContact O-CG 3.31Å; G229-L233 PolarHBondContact O-N 3.31Å; G229-L233 VanDerWaalsContact O-N 3.08Å; D230-L233 WeakPolarHBondContact O-CG 3.27Å; L233-A236 PolarHBondContact O-N 2.78Å; L233-A237 WeakPolarHBondContact O-CB 3.46Å; L233-A237 PolarHBondContact O-N 2.98Å; L233-L426 HydrophobicContact CD1-CD2 4.34Å; L233-L426 HydrophobicContact CD1-CG 4.01Å; L233-L426 HydrophobicContact CD2-CB 4.22Å; L233-L426 HydrophobicContact CD2-CD2 3.6Å; L233-L426 HydrophobicContact CD2-CG 3.89Å; L233-V430 HydrophobicContact CD1-CG2 4.05Å
234R90.3Very high87.6Confident121 Ų12156 Ų5646%0.45729%0.293SS..Hα-helixtrans-68.2-40.9177.2-76.4175.2-168.5-74.60.2111.1D230 A236 A237 S238 V430D230-R234 WeakPolarHBondContact O-CB 3.42Å; D230-R234 WeakPolarHBondContact O-CD 3.49Å; D230-R234 WeakPolarHBondContact O-CG 3.32Å; D230-R234 PolarHBondContact O-N 2.67Å; D230-R234 VanDerWaalsContact O-N 3.11Å; R234-A236 VanDerWaalsContact C-N 3.3Å; R234-A236 PolarHBondContact O-N 3.13Å; R234-A237 PolarHBondContact O-N 3.31Å; R234-S238 PolarHBondContact O-N 2.88Å; R234-V430 HydrophobicContact CG-CG1 4.37Å
235R90.2Very high87.5Confident42 Ų4262.6 Ų62.616%0.15831%0.314CS..Hα-helixtrans-58.4-43.1171.6177.8169.470.3-176.62.6111.5D215 E223 N231 L232 S238 Y339D215-R235 IonicContact OD1-CZ 3.89Å; D215-R235 IonicContact OD1-NH1 2.6Å; D215-R235 PolarHBondContact OD1-NH1 3.26Å; D215-R235 IonicContact OD1-NH2 3.35Å; D215-R235 PolarHBondContact OD1-NH2 3.05Å; D215-R235 IonicContact OD2-CZ 2.7Å; D215-R235 IonicContact OD2-NH1 2.72Å; D215-R235 PolarHBondContact OD2-NH1 2.89Å; D215-R235 IonicContact OD2-NH2 2.73Å; E223-R235 IonicContact OE1-CZ 2.98Å; E223-R235 IonicContact OE1-NE 3.58Å; E223-R235 IonicContact OE1-NH2 3.7Å; E223-R235 PolarHBondContact OE1-NH2 2.89Å; N231-R235 VanDerWaalsContact O-CB 3.31Å; N231-R235 WeakPolarHBondContact O-CB 3.48Å; N231-R235 PolarHBondContact O-N 2.88Å; L232-R235 PolarHBondContact O-N 3.06Å; R235-S238 WeakPolarHBondContact O-CB 3.46Å; R235-S238 PolarHBondContact O-N 3.01Å; R235-Y339 WeakPolarHBondContact CD-OH 3.2Å
236A90.2Very high87.4Confident7 Ų762.1 Ų62.16%0.05831%0.31CS..Hα-helixtrans-73.3-28.1179.900000113.8V227 L232 L233 R234 Y249V227-A236 HydrophobicContact CG1-CB 3.59Å; L232-A236 WeakPolarHBondContact O-CB 3.2Å; L232-A236 PolarHBondContact O-N 3.35Å; L233-A236 PolarHBondContact O-N 2.78Å; R234-A236 VanDerWaalsContact C-N 3.3Å; R234-A236 PolarHBondContact O-N 3.13Å; A236-Y249 HydrophobicContact CB-CE2 4.01Å
237A88.4Confident87.3Confident12 Ų1264.3 Ų64.310%0.09932%0.32CS..Hα-helixtrans-79.8-2517400000112.9L233 R234 V430 Q434L233-A237 WeakPolarHBondContact O-CB 3.46Å; L233-A237 PolarHBondContact O-N 2.98Å; R234-A237 PolarHBondContact O-N 3.31Å; A237-V430 HydrophobicContact CB-CG1 3.86Å; A237-Q434 PolarHBondContact O-OE1 3.17Å
238S87.1Confident87.3Confident32 Ų3266.9 Ų66.922%0.22434%0.336CS..SBendtrans-57.2140.2179.6-176.20000112.1R234 R235 E240 S241R234-S238 PolarHBondContact O-N 2.88Å; R235-S238 WeakPolarHBondContact O-CB 3.46Å; R235-S238 PolarHBondContact O-N 3.01Å; S238-E240 PolarHBondContact O-N 2.82Å; S238-E240 VanDerWaalsContact O-N 3.13Å; S238-E240 PolarHBondContact OG-N 3.41Å; S238-S241 VanDerWaalsContact O-CB 3.28Å; S238-S241 WeakPolarHBondContact O-CB 3.27Å; S238-S241 PolarHBondContact O-N 2.87Å
239P81.8Confident87.3Confident118 Ų11866.2 Ų66.277%0.76633%0.333SS*.THydrogen-bonded Turntrans-56.1-24.8168.7-23.833.9000113.4S241P239-S241 VanDerWaalsContact C-N 3.28Å; P239-S241 PolarHBondContact O-N 2.73Å
240E82.3Confident87.4Confident177 Ų17768.4 Ų68.483%0.82734%0.339SS*.THydrogen-bonded Turntrans-88.312.8177.2-58.4178.9-178.100113.2S238 K242S238-E240 PolarHBondContact O-N 2.82Å; S238-E240 VanDerWaalsContact O-N 3.13Å; S238-E240 PolarHBondContact OG-N 3.41Å; E240-K242 PolarHBondContact O-N 3.33Å
241S83.6Confident87.6Confident24 Ų2467.5 Ų67.517%0.16833%0.331CS..  trans-51.2131.6176.8175.60000110.6S238 P239 W243S238-S241 VanDerWaalsContact O-CB 3.28Å; S238-S241 WeakPolarHBondContact O-CB 3.27Å; S238-S241 PolarHBondContact O-N 2.87Å; P239-S241 VanDerWaalsContact C-N 3.28Å; P239-S241 PolarHBondContact O-N 2.73Å; S241-W243 PolarHBondContact O-N 3.34Å; S241-W243 VanDerWaalsContact O-N 3.08Å; S241-W243 PolarHBondContact OG-N 3.45Å; S241-W243 PolarHBondContact OG-O 3.27Å
242K80.3Confident87.8Confident103 Ų10364.9 Ų64.945%0.44832%0.317SS..SBendtrans-62.8-15177.172.2-175.2-178.9-170.70113.4D215 E223 E240D215-K242 IonicContact OD1-NZ 3.51Å; D215-K242 PolarHBondContact OD1-NZ 3.35Å; E223-K242 WeakPolarHBondContact OE1-CE 3.42Å; E223-K242 IonicContact OE1-NZ 2.67Å; E223-K242 PolarHBondContact OE1-NZ 3.16Å; E240-K242 PolarHBondContact O-N 3.33Å
243W80.9Confident88Confident99 Ų9965.8 Ų65.838%0.37532%0.321SS..  trans-109.1114.8-178.3-57110.2000110.3P224 S241 W245P224-W243 HydrophobicContact CG-CD2 3.65Å; P224-W243 HydrophobicContact CG-CE3 3.69Å; P224-W243 HydrophobicContact CG-CG 4.35Å; P224-W243 HydrophobicContact CG-CH2 3.63Å; P224-W243 HydrophobicContact CG-CZ2 3.58Å; P224-W243 HydrophobicContact CG-CZ3 3.68Å; S241-W243 PolarHBondContact O-N 3.34Å; S241-W243 VanDerWaalsContact O-N 3.08Å; S241-W243 PolarHBondContact OG-N 3.45Å; S241-W243 PolarHBondContact OG-O 3.27Å; W243-W245 VanDerWaalsContact C-N 3.33Å
244T77.3Confident88.2Confident150 Ų15072 Ų7292%0.9235%0.348SS*.SBendtrans-76.1-22.8177.253.10000113.1
245W84.4Confident88.4Confident169 Ų16967.4 Ų67.464%0.6433%0.331SS*.  trans-129.7139.1176.1-174.689000110W243 F247W243-W245 VanDerWaalsContact C-N 3.33Å; W245-F247 AromaticContact CH2-CD2 3.44Å; W245-F247 HydrophobicContact CH2-CD2 3.44Å; W245-F247 VanDerWaalsContact CH2-CD2 3.44Å; W245-F247 AromaticContact CH2-CE2 3.3Å; W245-F247 HydrophobicContact CH2-CE2 3.3Å; W245-F247 HydrophobicContact CH2-CG 4.36Å; W245-F247 HydrophobicContact CH2-CZ 4.12Å; W245-F247 HydrophobicContact CZ2-CD2 4.47Å; W245-F247 HydrophobicContact CZ2-CE2 4.47Å; W245-F247 AromaticContact CZ3-CD2 3.6Å; W245-F247 HydrophobicContact CZ3-CD2 3.6Å; W245-F247 AromaticContact CZ3-CE2 3.65Å; W245-F247 HydrophobicContact CZ3-CE2 3.65Å
246H88.6Confident88.6Confident50 Ų5066 Ų6623%0.23133%0.326CS..  trans-150157.2176.960.677.5000110.6P224 Y249 W427P224-H246 WeakPolarHBondContact O-CA 3.33Å; H246-Y249 HydrophobicContact CB-CE1 4.11Å; H246-Y249 HydrophobicContact CB-CE2 3.77Å; H246-Y249 VanDerWaalsContact CB-CZ 3.43Å; H246-Y249 WeakPolarHBondContact CB-OH 3.19Å; H246-Y249 AromaticContact CD2-CE2 3.87Å; H246-Y249 AromaticContact CE1-CD2 3.83Å; H246-Y249 AromaticContact CE1-CE2 3.75Å; H246-Y249 AromaticContact CG-CE2 3.39Å; H246-Y249 AromaticContact CG-CZ 3.64Å; H246-Y249 AromaticContact ND1-CD2 3.55Å; H246-Y249 AromaticContact ND1-CE2 3.3Å; H246-Y249 VanDerWaalsContact ND1-CE2 3.3Å; H246-Y249 WeakPolarHBondContact ND1-CE2 3.16Å; H246-Y249 AromaticContact ND1-CZ 3.83Å; H246-W427 AromaticContact CE1-CZ2 3.74Å
247F90.6Very high88.6Confident63 Ų6369.5 Ų69.528%0.27634%0.34SS..  trans-63.3157.8168.5-87.1-110.2000111.3P224 I225 W245 Y249 Y255 I259P224-F247 PolarHBondContact O-N 2.92Å; I225-F247 HydrophobicContact CG1-CD2 4.46Å; I225-F247 HydrophobicContact CG2-CD2 4.47Å; W245-F247 AromaticContact CH2-CD2 3.44Å; W245-F247 HydrophobicContact CH2-CD2 3.44Å; W245-F247 VanDerWaalsContact CH2-CD2 3.44Å; W245-F247 AromaticContact CH2-CE2 3.3Å; W245-F247 HydrophobicContact CH2-CE2 3.3Å; W245-F247 HydrophobicContact CH2-CG 4.36Å; W245-F247 HydrophobicContact CH2-CZ 4.12Å; W245-F247 HydrophobicContact CZ2-CD2 4.47Å; W245-F247 HydrophobicContact CZ2-CE2 4.47Å; W245-F247 AromaticContact CZ3-CD2 3.6Å; W245-F247 HydrophobicContact CZ3-CD2 3.6Å; W245-F247 AromaticContact CZ3-CE2 3.65Å; W245-F247 HydrophobicContact CZ3-CE2 3.65Å; F247-Y249 PolarHBondContact O-N 3.48Å; F247-Y255 HydrophobicContact CB-CE1 4.09Å; F247-Y255 HydrophobicContact CB-CE2 4.29Å; F247-Y255 VanDerWaalsContact CB-OH 3.28Å; F247-Y255 WeakPolarHBondContact CB-OH 3.36Å; F247-Y255 HydrophobicContact CD1-CD2 4.48Å; F247-Y255 HydrophobicContact CD1-CE1 4.26Å; F247-Y255 HydrophobicContact CD1-CE2 4.2Å; F247-I259 HydrophobicContact CD1-CD1 3.79Å; F247-I259 HydrophobicContact CE1-CD1 3.52Å; F247-I259 HydrophobicContact CZ-CD1 4.03Å
248P92.5Very high88.8Confident53 Ų5375.2 Ų75.234%0.34437%0.368SS..  trans-68.589.8-18027.4-34.4000111.4E250 H251 Q252 Y255P248-E250 WeakPolarHBondContact CA-OE2 3.29Å; P248-E250 WeakPolarHBondContact CB-OE1 3.29Å; P248-E250 PolarHBondContact O-N 3.47Å; P248-E250 VanDerWaalsContact O-N 3.08Å; P248-H251 WeakPolarHBondContact O-CA 3.49Å; P248-H251 PolarHBondContact O-N 2.96Å; P248-Q252 PolarHBondContact O-N 3.07Å; P248-Y255 HydrophobicContact CG-CD1 4.49Å; P248-Y255 HydrophobicContact CG-CE1 4.05Å; P248-Y255 WeakPolarHBondContact O-CE1 3.4Å
249Y93.4Very high89.1Confident0 Ų075.6 Ų75.60%037%0.367CS..G310 helixtrans-57.4-28.3-173.5-58.2-55.8000113.6E223 V227 A236 H246 F247 H251 Q252 A424 W427E223-Y249 WeakPolarHBondContact O-CE1 3.4Å; E223-Y249 PolarHBondContact O-OH 3.03Å; V227-Y249 HydrophobicContact CB-CD1 4.39Å; V227-Y249 HydrophobicContact CB-CE1 4.41Å; V227-Y249 HydrophobicContact CG1-CD1 3.99Å; V227-Y249 HydrophobicContact CG1-CD2 4.46Å; V227-Y249 HydrophobicContact CG1-CE1 3.55Å; V227-Y249 HydrophobicContact CG1-CE2 4.07Å; V227-Y249 HydrophobicContact CG1-CG 4.4Å; V227-Y249 HydrophobicContact CG2-CD1 3.71Å; V227-Y249 HydrophobicContact CG2-CD2 4.18Å; V227-Y249 HydrophobicContact CG2-CE1 4.19Å; V227-Y249 HydrophobicContact CG2-CG 3.69Å; A236-Y249 HydrophobicContact CB-CE2 4.01Å; H246-Y249 HydrophobicContact CB-CE1 4.11Å; H246-Y249 HydrophobicContact CB-CE2 3.77Å; H246-Y249 VanDerWaalsContact CB-CZ 3.43Å; H246-Y249 WeakPolarHBondContact CB-OH 3.19Å; H246-Y249 AromaticContact CD2-CE2 3.87Å; H246-Y249 AromaticContact CE1-CD2 3.83Å; H246-Y249 AromaticContact CE1-CE2 3.75Å; H246-Y249 AromaticContact CG-CE2 3.39Å; H246-Y249 AromaticContact CG-CZ 3.64Å; H246-Y249 AromaticContact ND1-CD2 3.55Å; H246-Y249 AromaticContact ND1-CE2 3.3Å; H246-Y249 VanDerWaalsContact ND1-CE2 3.3Å; H246-Y249 WeakPolarHBondContact ND1-CE2 3.16Å; H246-Y249 AromaticContact ND1-CZ 3.83Å; F247-Y249 PolarHBondContact O-N 3.48Å; Y249-H251 PolarHBondContact O-N 3.13Å; Y249-Q252 WeakPolarHBondContact O-CB 3.48Å; Y249-Q252 VanDerWaalsContact O-CG 3.3Å; Y249-Q252 WeakPolarHBondContact O-CG 3.44Å; Y249-Q252 PolarHBondContact O-N 3.19Å; Y249-A424 WeakPolarHBondContact O-CB 3.37Å; Y249-W427 AromaticContact CD2-CD2 3.94Å; Y249-W427 HydrophobicContact CD2-CD2 3.94Å; Y249-W427 AromaticContact CD2-CE2 3.44Å; Y249-W427 VanDerWaalsContact CD2-CE2 3.44Å; Y249-W427 HydrophobicContact CD2-CG 4.3Å; Y249-W427 HydrophobicContact CD2-CH2 4.28Å; Y249-W427 AromaticContact CD2-CZ2 3.63Å; Y249-W427 HydrophobicContact CD2-CZ2 3.63Å; Y249-W427 AromaticContact CD2-NE1 3.51Å; Y249-W427 HydrophobicContact CE2-CZ2 4.33Å; Y249-W427 AromaticContact CE2-NE1 3.97Å; Y249-W427 HydrophobicContact CG-CD2 4.43Å
250E92Very high89.6Confident62 Ų6270.6 Ų70.629%0.2934%0.338SS..G310 helixtrans-57.2-16.9172.669.1-85.7-158.900113.3P248 H253 W427P248-E250 WeakPolarHBondContact CA-OE2 3.29Å; P248-E250 WeakPolarHBondContact CB-OE1 3.29Å; P248-E250 PolarHBondContact O-N 3.47Å; P248-E250 VanDerWaalsContact O-N 3.08Å; E250-H253 PolarHBondContact O-CE1 3.34Å; E250-W427 HydrophobicContact CB-CE3 4.45Å; E250-W427 HydrophobicContact CB-CZ3 4.25Å; E250-W427 WeakPolarHBondContact OE2-CZ3 3.49Å
251H93.8Very high90.2Very high78 Ų7862.2 Ų62.236%0.36130%0.298SS..G310 helixtrans-120.811.1179.7-61.9-27.7000113P248 Y249 H253 K254 Y255P248-H251 WeakPolarHBondContact O-CA 3.49Å; P248-H251 PolarHBondContact O-N 2.96Å; Y249-H251 PolarHBondContact O-N 3.13Å; H251-H253 VanDerWaalsContact C-N 3.27Å; H251-H253 PolarHBondContact O-N 3.4Å; H251-K254 HydrophobicContact CB-CD 4.29Å; H251-K254 WeakPolarHBondContact O-CA 3.47Å; H251-K254 VanDerWaalsContact O-CB 3.31Å; H251-K254 WeakPolarHBondContact O-CB 3.47Å; H251-K254 PolarHBondContact O-N 2.83Å; H251-Y255 HydrophobicContact CB-CD1 4.34Å; H251-Y255 HydrophobicContact CB-CE1 4.48Å; H251-Y255 VanDerWaalsContact O-CD1 3.24Å; H251-Y255 WeakPolarHBondContact O-CD1 3.42Å; H251-Y255 PolarHBondContact O-N 3.45Å
252Q95Very high90.8Very high0 Ų062 Ų620%030%0.297CS..Hα-helixtrans-56.8-38.5-175.873-179.8-27.800114.2F226 V227 P248 Y249 K254 Y255 F256 L420 A424F226-Q252 HydrophobicContact CD1-CB 4.14Å; V227-Q252 PolarHBondContact O-NE2 3.23Å; V227-Q252 PolarHBondContact O-OE1 3.4Å; P248-Q252 PolarHBondContact O-N 3.07Å; Y249-Q252 WeakPolarHBondContact O-CB 3.48Å; Y249-Q252 VanDerWaalsContact O-CG 3.3Å; Y249-Q252 WeakPolarHBondContact O-CG 3.44Å; Y249-Q252 PolarHBondContact O-N 3.19Å; Q252-K254 PolarHBondContact O-N 3.29Å; Q252-Y255 HydrophobicContact CB-CE1 4.11Å; Q252-Y255 HydrophobicContact CB-CE2 4.05Å; Q252-Y255 WeakPolarHBondContact CB-OH 3.33Å; Q252-Y255 PolarHBondContact O-N 3.05Å; Q252-F256 WeakPolarHBondContact O-CB 3.37Å; Q252-F256 PolarHBondContact O-N 3.06Å; Q252-L420 HydrophobicContact CG-CB 4.27Å; Q252-L420 HydrophobicContact CG-CD2 4.17Å; Q252-L420 WeakPolarHBondContact CG-O 3.48Å; Q252-L420 PolarHBondContact NE2-O 3.44Å; Q252-A424 HydrophobicContact CG-CB 4.15Å
253H94.1Very high91.5Very high22 Ų2260.8 Ų60.810%0.10230%0.295CS..Hα-helixtrans-64.6-21.4175.660.9-84.6000113.4E250 H251 F257 F417 L420 K421E250-H253 PolarHBondContact O-CE1 3.34Å; H251-H253 VanDerWaalsContact C-N 3.27Å; H251-H253 PolarHBondContact O-N 3.4Å; H253-F257 WeakPolarHBondContact O-CE2 3.3Å; H253-F417 HydrophobicContact CB-CD2 4.18Å; H253-F417 HydrophobicContact CB-CE2 3.86Å; H253-F417 HydrophobicContact CB-CZ 4.44Å; H253-F417 WeakPolarHBondContact O-CE2 3.46Å; H253-L420 HydrophobicContact CB-CB 3.98Å; H253-K421 HydrophobicContact CB-CB 3.97Å
254K94.5Very high92.2Very high129 Ų12957.7 Ų57.756%0.56129%0.285SS*.Hα-helixtrans-84.9-45.3178.1-56.3-178-179.8174.70111.7H251 Q252H251-K254 HydrophobicContact CB-CD 4.29Å; H251-K254 WeakPolarHBondContact O-CA 3.47Å; H251-K254 VanDerWaalsContact O-CB 3.31Å; H251-K254 WeakPolarHBondContact O-CB 3.47Å; H251-K254 PolarHBondContact O-N 2.83Å; Q252-K254 PolarHBondContact O-N 3.29Å
255Y95.2Very high93.1Very high26 Ų2651.3 Ų51.310%0.10225%0.245CC..Hα-helixtrans-86.7-14.7-178.563-114.4000113.8I225 F226 F247 P248 H251 Q252 F257 L258 I259I225-Y255 HydrophobicContact CG2-CE2 4.28Å; I225-Y255 PolarHBondContact O-OH 3.31Å; F226-Y255 AromaticContact CD1-CE2 3.97Å; F226-Y255 HydrophobicContact CD1-CE2 3.97Å; F226-Y255 AromaticContact CE1-CD2 3.87Å; F226-Y255 HydrophobicContact CE1-CD2 3.87Å; F226-Y255 AromaticContact CE1-CE2 3.42Å; F226-Y255 HydrophobicContact CE1-CE2 3.42Å; F226-Y255 VanDerWaalsContact CE1-CE2 3.42Å; F226-Y255 HydrophobicContact CZ-CD2 4.36Å; F226-Y255 HydrophobicContact CZ-CE2 4.11Å; F247-Y255 HydrophobicContact CB-CE1 4.09Å; F247-Y255 HydrophobicContact CB-CE2 4.29Å; F247-Y255 VanDerWaalsContact CB-OH 3.28Å; F247-Y255 WeakPolarHBondContact CB-OH 3.36Å; F247-Y255 HydrophobicContact CD1-CD2 4.48Å; F247-Y255 HydrophobicContact CD1-CE1 4.26Å; F247-Y255 HydrophobicContact CD1-CE2 4.2Å; P248-Y255 HydrophobicContact CG-CD1 4.49Å; P248-Y255 HydrophobicContact CG-CE1 4.05Å; P248-Y255 WeakPolarHBondContact O-CE1 3.4Å; H251-Y255 HydrophobicContact CB-CD1 4.34Å; H251-Y255 HydrophobicContact CB-CE1 4.48Å; H251-Y255 VanDerWaalsContact O-CD1 3.24Å; H251-Y255 WeakPolarHBondContact O-CD1 3.42Å; H251-Y255 PolarHBondContact O-N 3.45Å; Q252-Y255 HydrophobicContact CB-CE1 4.11Å; Q252-Y255 HydrophobicContact CB-CE2 4.05Å; Q252-Y255 WeakPolarHBondContact CB-OH 3.33Å; Q252-Y255 PolarHBondContact O-N 3.05Å; Y255-F257 VanDerWaalsContact C-N 3.28Å; Y255-F257 PolarHBondContact O-N 3.27Å; Y255-L258 PolarHBondContact O-N 3.4Å; Y255-I259 HydrophobicContact CD2-CD1 3.26Å; Y255-I259 HydrophobicContact CD2-CG1 3.74Å; Y255-I259 HydrophobicContact CE2-CD1 3.62Å; Y255-I259 HydrophobicContact CE2-CG1 4.39Å; Y255-I259 HydrophobicContact CG-CD1 4.12Å; Y255-I259 PolarHBondContact O-N 3.34Å
256F94.3Very high93.6Very high11 Ų1144.2 Ų44.25%0.04822%0.22CC..Hα-helixtrans-47.1-50.9-179.9172-100.4000112F226 Q252 L258 I259 G260 P261 T325 W326 I416 L420F226-F256 HydrophobicContact CD1-CD2 4.29Å; F226-F256 HydrophobicContact CE1-CB 3.9Å; F226-F256 AromaticContact CE1-CD2 3.66Å; F226-F256 HydrophobicContact CE1-CD2 3.66Å; F226-F256 HydrophobicContact CE1-CG 4.28Å; F226-F256 HydrophobicContact CE2-CD2 4.32Å; F226-F256 HydrophobicContact CZ-CB 4.37Å; F226-F256 AromaticContact CZ-CD2 3.68Å; F226-F256 HydrophobicContact CZ-CD2 3.68Å; F226-F256 HydrophobicContact CZ-CG 4.47Å; Q252-F256 WeakPolarHBondContact O-CB 3.37Å; Q252-F256 PolarHBondContact O-N 3.06Å; F256-L258 PolarHBondContact O-N 3.21Å; F256-I259 PolarHBondContact O-N 2.85Å; F256-G260 WeakPolarHBondContact O-CA 3.46Å; F256-G260 PolarHBondContact O-N 3.31Å; F256-P261 HydrophobicContact CE1-CG 4.11Å; F256-P261 HydrophobicContact CZ-CG 4.14Å; F256-P261 WeakPolarHBondContact O-CD 3.08Å; F256-T325 HydrophobicContact CZ-CG2 3.93Å; F256-W326 HydrophobicContact CE1-CH2 4.3Å; F256-I416 HydrophobicContact CE1-CG2 3.79Å; F256-I416 HydrophobicContact CZ-CG2 3.77Å; F256-L420 HydrophobicContact CB-CD1 3.8Å; F256-L420 HydrophobicContact CD1-CD1 3.84Å; F256-L420 HydrophobicContact CD2-CD1 3.47Å; F256-L420 VanDerWaalsContact CD2-CD1 3.47Å; F256-L420 HydrophobicContact CE1-CD1 4.28Å; F256-L420 HydrophobicContact CE2-CD1 3.94Å; F256-L420 HydrophobicContact CG-CD1 3.41Å; F256-L420 VanDerWaalsContact CG-CD1 3.41Å; F256-L420 HydrophobicContact CZ-CD1 4.32Å
257F91.4Very high93.9Very high81 Ų8144.6 Ų44.636%0.35523%0.226SC..Hα-helixtrans-66.2-21.1-178.7-55.7-78.1000114.3H253 Y255 P262 W326 F417H253-F257 WeakPolarHBondContact O-CE2 3.3Å; Y255-F257 VanDerWaalsContact C-N 3.28Å; Y255-F257 PolarHBondContact O-N 3.27Å; F257-P262 WeakPolarHBondContact O-CD 3.34Å; F257-P262 WeakPolarHBondContact O-CG 3.34Å; F257-W326 AromaticContact CD1-CH2 3.75Å; F257-W326 HydrophobicContact CD1-CH2 3.75Å; F257-W326 AromaticContact CD1-CZ2 3.55Å; F257-W326 HydrophobicContact CD1-CZ2 3.55Å; F257-W326 HydrophobicContact CE1-CH2 4.18Å; F257-W326 AromaticContact CE1-CZ2 3.57Å; F257-W326 HydrophobicContact CE1-CZ2 3.57Å; F257-F417 AromaticContact CE2-CD2 3.6Å; F257-F417 HydrophobicContact CE2-CD2 3.6Å; F257-F417 AromaticContact CE2-CE2 3.99Å; F257-F417 HydrophobicContact CE2-CE2 3.99Å; F257-F417 HydrophobicContact CZ-CB 4.38Å; F257-F417 AromaticContact CZ-CD2 3.72Å; F257-F417 HydrophobicContact CZ-CD2 3.72Å; F257-F417 HydrophobicContact CZ-CG 4.45Å
258L92Very high94.1Very high133 Ų13346.3 Ų46.370%0.69623%0.231SC*.Hα-helixtrans-93.8-29-177.2-63176000112.8Y255 F256 P262Y255-L258 PolarHBondContact O-N 3.4Å; F256-L258 PolarHBondContact O-N 3.21Å; L258-P262 WeakPolarHBondContact O-CG 3.35Å
259I93.2Very high94.3Very high39 Ų3945.5 Ų45.520%0.222%0.222CC..Hα-helixtrans-120.6-33.1-174.575.2178.3000114.2I225 F226 F247 Y255 F256 L263I225-I259 HydrophobicContact CG2-CD1 3.67Å; I225-I259 HydrophobicContact CG2-CG1 4.39Å; F226-I259 HydrophobicContact CZ-CD1 4.45Å; F226-I259 HydrophobicContact CZ-CG1 4.09Å; F247-I259 HydrophobicContact CD1-CD1 3.79Å; F247-I259 HydrophobicContact CE1-CD1 3.52Å; F247-I259 HydrophobicContact CZ-CD1 4.03Å; Y255-I259 HydrophobicContact CD2-CD1 3.26Å; Y255-I259 HydrophobicContact CD2-CG1 3.74Å; Y255-I259 HydrophobicContact CE2-CD1 3.62Å; Y255-I259 HydrophobicContact CE2-CG1 4.39Å; Y255-I259 HydrophobicContact CG-CD1 4.12Å; Y255-I259 PolarHBondContact O-N 3.34Å; F256-I259 PolarHBondContact O-N 2.85Å; I259-L263 HydrophobicContact CB-CD1 4.21Å; I259-L263 VanDerWaalsContact O-CB 3.26Å; I259-L263 WeakPolarHBondContact O-CB 3.36Å; I259-L263 WeakPolarHBondContact O-CG 3.33Å; I259-L263 PolarHBondContact O-N 3.35Å
260G92.1Very high94.4Very high14 Ų1446.4 Ų46.414%0.14423%0.227CC..Hα-helixtrans-69.6-77.5-173.900000110.2F256 L263 L264F256-G260 WeakPolarHBondContact O-CA 3.46Å; F256-G260 PolarHBondContact O-N 3.31Å; G260-L263 PolarHBondContact O-N 3.36Å; G260-L264 WeakPolarHBondContact O-CB 3.46Å; G260-L264 PolarHBondContact O-N 3.06Å; G260-L264 VanDerWaalsContact O-N 3.09Å
261P94.9Very high94.6Very high0 Ų048.4 Ų48.40%024%0.238CC..Hα-helixtrans-60.2-47.9178.4-12.222.1000113.9F256 L263 L264 S321 T325 W326F256-P261 HydrophobicContact CE1-CG 4.11Å; F256-P261 HydrophobicContact CZ-CG 4.14Å; F256-P261 WeakPolarHBondContact O-CD 3.08Å; P261-L263 PolarHBondContact O-N 3.26Å; P261-L264 PolarHBondContact O-N 3.07Å; P261-S321 WeakPolarHBondContact O-CB 3.21Å; P261-S321 PolarHBondContact O-OG 3.06Å; P261-T325 HydrophobicContact CB-CG2 4.35Å; P261-T325 HydrophobicContact CG-CG2 4Å; P261-W326 HydrophobicContact CB-CE3 4.46Å; P261-W326 HydrophobicContact CB-CH2 4.2Å; P261-W326 HydrophobicContact CB-CZ3 3.49Å; P261-W326 VanDerWaalsContact CB-CZ3 3.49Å; P261-W326 HydrophobicContact CG-CE3 4.17Å; P261-W326 HydrophobicContact CG-CH2 3.53Å; P261-W326 HydrophobicContact CG-CZ3 3.11Å
262P96.4Very high94.7Very high21 Ų2146.3 Ų46.314%0.13623%0.229CC..Hα-helixtrans-57.8-26-177.8-24.130.8000115.3F257 L258 P266 V318F257-P262 WeakPolarHBondContact O-CD 3.34Å; F257-P262 WeakPolarHBondContact O-CG 3.34Å; L258-P262 WeakPolarHBondContact O-CG 3.35Å; P262-P266 WeakPolarHBondContact O-CG 3.46Å; P262-V318 HydrophobicContact CB-CG1 4.31Å
263L95.5Very high94.8Very high77 Ų7746.3 Ų46.340%0.40323%0.229SC..Hα-helixtrans-106.7-11.7-177.4-52.9179.2000113.8I259 G260 P261 V267 Y268I259-L263 HydrophobicContact CB-CD1 4.21Å; I259-L263 VanDerWaalsContact O-CB 3.26Å; I259-L263 WeakPolarHBondContact O-CB 3.36Å; I259-L263 WeakPolarHBondContact O-CG 3.33Å; I259-L263 PolarHBondContact O-N 3.35Å; G260-L263 PolarHBondContact O-N 3.36Å; P261-L263 PolarHBondContact O-N 3.26Å; L263-V267 HydrophobicContact CB-CB 4.42Å; L263-V267 HydrophobicContact CB-CG2 4.49Å; L263-V267 HydrophobicContact CD2-CG2 4.11Å; L263-V267 WeakPolarHBondContact O-CB 3.32Å; L263-V267 PolarHBondContact O-N 2.87Å; L263-Y268 PolarHBondContact O-N 3.45Å
264L94.9Very high95Very high34 Ų3448.8 Ų48.818%0.17824%0.24CC..Iπ-helixtrans-59.7-61-176-176.876.6000111.9G260 P261 Y268 F269 S321 F324 T325G260-L264 WeakPolarHBondContact O-CB 3.46Å; G260-L264 PolarHBondContact O-N 3.06Å; G260-L264 VanDerWaalsContact O-N 3.09Å; P261-L264 PolarHBondContact O-N 3.07Å; L264-Y268 HydrophobicContact CD1-CD1 3.91Å; L264-Y268 PolarHBondContact O-N 3.36Å; L264-F269 HydrophobicContact CD1-CD1 4.05Å; L264-F269 HydrophobicContact CD1-CE1 3.54Å; L264-F269 HydrophobicContact CD1-CZ 4.02Å; L264-F269 HydrophobicContact CD2-CE1 4.47Å; L264-F269 HydrophobicContact CD2-CZ 4.14Å; L264-F269 HydrophobicContact CG-CD1 4.18Å; L264-F269 HydrophobicContact CG-CE1 3.86Å; L264-F269 HydrophobicContact CG-CE2 4.42Å; L264-F269 HydrophobicContact CG-CZ 3.99Å; L264-F269 WeakPolarHBondContact O-CB 3.3Å; L264-F269 PolarHBondContact O-N 2.65Å; L264-S321 WeakPolarHBondContact CB-OG 3.22Å; L264-F324 HydrophobicContact CD2-CD1 3.98Å; L264-F324 HydrophobicContact CD2-CE1 4.15Å; L264-T325 WeakPolarHBondContact CD2-OG1 3.45Å
265F95.6Very high95.1Very high16 Ų1649.5 Ų49.57%0.0724%0.239CC..Iπ-helixtrans-76.1-52.2-179.2-75.817.4000114.2V267 F269 E320 S321 F324F265-V267 VanDerWaalsContact C-N 3.27Å; F265-V267 PolarHBondContact O-N 3.48Å; F265-F269 AromaticContact CD1-CD2 3.38Å; F265-F269 HydrophobicContact CD1-CD2 3.38Å; F265-F269 AromaticContact CD1-CE2 3.61Å; F265-F269 HydrophobicContact CD1-CE2 3.61Å; F265-F269 HydrophobicContact CD1-CG 4.13Å; F265-F269 HydrophobicContact CD1-CZ 4.5Å; F265-F269 AromaticContact CE1-CD2 3.42Å; F265-F269 HydrophobicContact CE1-CD2 3.42Å; F265-F269 VanDerWaalsContact CE1-CD2 3.42Å; F265-F269 AromaticContact CE1-CE2 3.18Å; F265-F269 HydrophobicContact CE1-CE2 3.18Å; F265-F269 HydrophobicContact CE1-CZ 4.13Å; F265-F269 HydrophobicContact CG-CD2 4.28Å; F265-F269 HydrophobicContact CZ-CD2 4.31Å; F265-F269 HydrophobicContact CZ-CE2 4.09Å; F265-E320 HydrophobicContact CD2-CB 4.32Å; F265-E320 VanDerWaalsContact CD2-CD 3.49Å; F265-E320 HydrophobicContact CD2-CG 3.83Å; F265-E320 WeakPolarHBondContact CD2-OE1 3.23Å; F265-E320 HydrophobicContact CE2-CG 3.8Å; F265-E320 WeakPolarHBondContact CE2-OE1 3.34Å; F265-S321 PolarHBondContact N-OG 3.32Å; F265-F324 HydrophobicContact CD1-CD1 4.44Å; F265-F324 HydrophobicContact CE1-CB 3.95Å; F265-F324 AromaticContact CE1-CD1 3.28Å; F265-F324 HydrophobicContact CE1-CD1 3.28Å; F265-F324 HydrophobicContact CE1-CD2 4.3Å; F265-F324 AromaticContact CE1-CE1 3.81Å; F265-F324 HydrophobicContact CE1-CE1 3.81Å; F265-F324 AromaticContact CE1-CG 3.57Å; F265-F324 HydrophobicContact CE1-CG 3.57Å; F265-F324 HydrophobicContact CE1-CZ 4.49Å; F265-F324 HydrophobicContact CE2-CB 3.8Å; F265-F324 HydrophobicContact CE2-CG 4.08Å; F265-F324 HydrophobicContact CZ-CB 3.34Å; F265-F324 AromaticContact CZ-CD1 3.42Å; F265-F324 HydrophobicContact CZ-CD1 3.42Å; F265-F324 VanDerWaalsContact CZ-CD1 3.42Å; F265-F324 AromaticContact CZ-CD2 3.61Å; F265-F324 HydrophobicContact CZ-CD2 3.61Å; F265-F324 HydrophobicContact CZ-CE1 4.1Å; F265-F324 HydrophobicContact CZ-CE2 4.25Å; F265-F324 AromaticContact CZ-CG 3.14Å; F265-F324 HydrophobicContact CZ-CG 3.14Å; F265-F324 HydrophobicContact CZ-CZ 4.47Å
266P95.6Very high95.2Very high19 Ų1949.2 Ų49.212%0.12324%0.238CC..Iπ-helixtrans-69.4-23.7-17323-30.9000113.7P262 F314 R317 V318P262-P266 WeakPolarHBondContact O-CG 3.46Å; P266-F314 HydrophobicContact CB-CD2 3.79Å; P266-F314 HydrophobicContact CB-CE2 3.57Å; P266-F314 HydrophobicContact CB-CZ 4.29Å; P266-F314 HydrophobicContact CG-CE2 3.99Å; P266-F314 HydrophobicContact CG-CZ 4.22Å; P266-R317 HydrophobicContact CB-CB 3.71Å; P266-R317 HydrophobicContact CB-CG 4.33Å; P266-R317 HydrophobicContact CG-CB 4.17Å; P266-V318 HydrophobicContact CG-CG2 4.21Å
267V95.4Very high95.3Very high58 Ų5849 Ų4935%0.35224%0.238SC..Iπ-helixtrans-118.2-67.6-175.2-175.40000111.2L263 F265 Q270 I271L263-V267 HydrophobicContact CB-CB 4.42Å; L263-V267 HydrophobicContact CB-CG2 4.49Å; L263-V267 HydrophobicContact CD2-CG2 4.11Å; L263-V267 WeakPolarHBondContact O-CB 3.32Å; L263-V267 PolarHBondContact O-N 2.87Å; F265-V267 VanDerWaalsContact C-N 3.27Å; F265-V267 PolarHBondContact O-N 3.48Å; V267-Q270 PolarHBondContact O-N 3.09Å; V267-I271 HydrophobicContact CG1-CD1 3.77Å; V267-I271 VanDerWaalsContact O-CG1 3.3Å; V267-I271 WeakPolarHBondContact O-CG1 3.34Å; V267-I271 PolarHBondContact O-N 3.43Å
268Y94.6Very high95.6Very high100 Ų10055.6 Ų55.639%0.39226%0.26SS..Iπ-helixtrans-63.9-51-169.3175.2-113000112.6L263 L264 Q270 I271 M272L263-Y268 PolarHBondContact O-N 3.45Å; L264-Y268 HydrophobicContact CD1-CD1 3.91Å; L264-Y268 PolarHBondContact O-N 3.36Å; Y268-Q270 VanDerWaalsContact C-N 3.31Å; Y268-Q270 PolarHBondContact O-N 3.12Å; Y268-I271 PolarHBondContact O-N 3.12Å; Y268-M272 HydrophobicContact CD2-CG 3.97Å; Y268-M272 HydrophobicContact CE1-CG 4.38Å; Y268-M272 HydrophobicContact CE2-CG 3.57Å; Y268-M272 HydrophobicContact CE2-SD 4.17Å; Y268-M272 WeakPolarHBondContact O-CB 3.25Å; Y268-M272 VanDerWaalsContact O-CG 3.29Å; Y268-M272 WeakPolarHBondContact O-CG 3.39Å; Y268-M272 PolarHBondContact O-N 3.15Å
269F95.7Very high95.8Very high35 Ų3553.9 Ų53.915%0.15425%0.251CS..Iπ-helixtrans-64.1-37.5179.2-7910.3000111.8W199 W200 L264 F265 M272 S273 F324W199-F269 HydrophobicContact CH2-CB 3.74Å; W199-F269 AromaticContact CH2-CD1 3.62Å; W199-F269 HydrophobicContact CH2-CD1 3.62Å; W199-F269 AromaticContact CH2-CD2 3.8Å; W199-F269 HydrophobicContact CH2-CD2 3.8Å; W199-F269 HydrophobicContact CH2-CE1 4.09Å; W199-F269 HydrophobicContact CH2-CE2 4.23Å; W199-F269 AromaticContact CH2-CG 3.47Å; W199-F269 HydrophobicContact CH2-CG 3.47Å; W199-F269 VanDerWaalsContact CH2-CG 3.47Å; W199-F269 HydrophobicContact CH2-CZ 4.38Å; W199-F269 HydrophobicContact CZ2-CD1 4.09Å; W199-F269 HydrophobicContact CZ2-CE1 4.49Å; W199-F269 HydrophobicContact CZ2-CG 4.34Å; W199-F269 HydrophobicContact CZ3-CB 4.27Å; W199-F269 HydrophobicContact CZ3-CD2 4.32Å; W199-F269 HydrophobicContact CZ3-CG 4.26Å; W200-F269 AromaticContact CZ3-CE2 3.85Å; W200-F269 HydrophobicContact CZ3-CE2 3.85Å; W200-F269 HydrophobicContact CZ3-CZ 4.46Å; L264-F269 HydrophobicContact CD1-CD1 4.05Å; L264-F269 HydrophobicContact CD1-CE1 3.54Å; L264-F269 HydrophobicContact CD1-CZ 4.02Å; L264-F269 HydrophobicContact CD2-CE1 4.47Å; L264-F269 HydrophobicContact CD2-CZ 4.14Å; L264-F269 HydrophobicContact CG-CD1 4.18Å; L264-F269 HydrophobicContact CG-CE1 3.86Å; L264-F269 HydrophobicContact CG-CE2 4.42Å; L264-F269 HydrophobicContact CG-CZ 3.99Å; L264-F269 WeakPolarHBondContact O-CB 3.3Å; L264-F269 PolarHBondContact O-N 2.65Å; F265-F269 AromaticContact CD1-CD2 3.38Å; F265-F269 HydrophobicContact CD1-CD2 3.38Å; F265-F269 AromaticContact CD1-CE2 3.61Å; F265-F269 HydrophobicContact CD1-CE2 3.61Å; F265-F269 HydrophobicContact CD1-CG 4.13Å; F265-F269 HydrophobicContact CD1-CZ 4.5Å; F265-F269 AromaticContact CE1-CD2 3.42Å; F265-F269 HydrophobicContact CE1-CD2 3.42Å; F265-F269 VanDerWaalsContact CE1-CD2 3.42Å; F265-F269 AromaticContact CE1-CE2 3.18Å; F265-F269 HydrophobicContact CE1-CE2 3.18Å; F265-F269 HydrophobicContact CE1-CZ 4.13Å; F265-F269 HydrophobicContact CG-CD2 4.28Å; F265-F269 HydrophobicContact CZ-CD2 4.31Å; F265-F269 HydrophobicContact CZ-CE2 4.09Å; F269-M272 PolarHBondContact O-N 2.89Å; F269-S273 WeakPolarHBondContact O-CB 3.43Å; F269-S273 PolarHBondContact O-N 2.89Å; F269-F324 HydrophobicContact CE2-CE1 4.37Å; F269-F324 HydrophobicContact CZ-CE1 4.43Å
270Q95.3Very high95.8Very high20 Ų2057 Ų579%0.09326%0.264CS..Hα-helixtrans-63.8-50.2175.7-73.3-6619.300111.8G194 V267 Y268 M272 S273 F274G194-Q270 PolarHBondContact O-NE2 3.5Å; G194-Q270 PolarHBondContact O-OE1 3.31Å; V267-Q270 PolarHBondContact O-N 3.09Å; Y268-Q270 VanDerWaalsContact C-N 3.31Å; Y268-Q270 PolarHBondContact O-N 3.12Å; Q270-M272 VanDerWaalsContact C-N 3.3Å; Q270-M272 PolarHBondContact O-N 3.36Å; Q270-S273 PolarHBondContact O-N 3.27Å; Q270-F274 VanDerWaalsContact O-CD2 3.24Å; Q270-F274 WeakPolarHBondContact O-CD2 3.23Å; Q270-F274 PolarHBondContact O-N 2.92Å
271I96.7Very high96Very high103 Ų10364.9 Ų64.953%0.52829%0.294SS..Hα-helixtrans-57.3-45.3177.2-68.9169.2000110.8V267 Y268 R275V267-I271 HydrophobicContact CG1-CD1 3.77Å; V267-I271 VanDerWaalsContact O-CG1 3.3Å; V267-I271 WeakPolarHBondContact O-CG1 3.34Å; V267-I271 PolarHBondContact O-N 3.43Å; Y268-I271 PolarHBondContact O-N 3.12Å; I271-R275 WeakPolarHBondContact O-CB 3.31Å; I271-R275 PolarHBondContact O-N 3.13Å
272M96.1Very high96Very high35 Ų3570 Ų7017%0.17231%0.314CS..Hα-helixtrans-69.4-38.3-178.2-70.3-58-65.100112.9W199 Y268 F269 Q270 H276W199-M272 HydrophobicContact CZ2-CB 3.76Å; Y268-M272 HydrophobicContact CD2-CG 3.97Å; Y268-M272 HydrophobicContact CE1-CG 4.38Å; Y268-M272 HydrophobicContact CE2-CG 3.57Å; Y268-M272 HydrophobicContact CE2-SD 4.17Å; Y268-M272 WeakPolarHBondContact O-CB 3.25Å; Y268-M272 VanDerWaalsContact O-CG 3.29Å; Y268-M272 WeakPolarHBondContact O-CG 3.39Å; Y268-M272 PolarHBondContact O-N 3.15Å; F269-M272 PolarHBondContact O-N 2.89Å; Q270-M272 VanDerWaalsContact C-N 3.3Å; Q270-M272 PolarHBondContact O-N 3.36Å; M272-H276 WeakPolarHBondContact O-CB 3.47Å; M272-H276 PolarHBondContact O-N 3.04Å
273S97.3Very high96.1Very high0 Ų074.9 Ų74.90%034%0.337CS..Hα-helixtrans-59.8-54172.3173.80000111S196 F269 Q270 R275 H276 M277S196-S273 PolarHBondContact N-OG 3.41Å; F269-S273 WeakPolarHBondContact O-CB 3.43Å; F269-S273 PolarHBondContact O-N 2.89Å; Q270-S273 PolarHBondContact O-N 3.27Å; S273-R275 PolarHBondContact O-N 3.31Å; S273-H276 WeakPolarHBondContact O-CB 3.44Å; S273-H276 PolarHBondContact O-N 3.09Å; S273-H276 VanDerWaalsContact O-N 3.17Å; S273-M277 WeakPolarHBondContact O-CG 3.48Å; S273-M277 PolarHBondContact O-N 3.39Å
274F97.7Very high96.1Very high73 Ų7376 Ų7632%0.3234%0.341SS..Hα-helixtrans-61.1-43.2177.7-83.3-74.2000112.7Q270 H276 M277 W278 F286 V289Q270-F274 VanDerWaalsContact O-CD2 3.24Å; Q270-F274 WeakPolarHBondContact O-CD2 3.23Å; Q270-F274 PolarHBondContact O-N 2.92Å; F274-H276 VanDerWaalsContact C-N 3.31Å; F274-H276 PolarHBondContact O-N 3.17Å; F274-M277 HydrophobicContact CB-CE 4.38Å; F274-M277 HydrophobicContact CD1-CE 3.44Å; F274-M277 VanDerWaalsContact CD1-CE 3.44Å; F274-M277 HydrophobicContact CE1-CE 3.76Å; F274-M277 HydrophobicContact CG-CE 3.91Å; F274-M277 HydrophobicContact CZ-CE 4.46Å; F274-M277 PolarHBondContact O-N 2.88Å; F274-W278 WeakPolarHBondContact O-CB 3.34Å; F274-W278 PolarHBondContact O-N 3.29Å; F274-F286 HydrophobicContact CE1-CD2 4.45Å; F274-F286 HydrophobicContact CE1-CE2 4.28Å; F274-V289 HydrophobicContact CE1-CG1 4.1Å; F274-V289 HydrophobicContact CE2-CG1 4.31Å; F274-V289 HydrophobicContact CZ-CG1 3.63Å
275R97.3Very high96.2Very high145 Ų14574.6 Ų74.655%0.54733%0.333SS..Hα-helixtrans-58.2-43.4175175.7-177.8165.8-170.50.8111.6I271 S273 W278 I279I271-R275 WeakPolarHBondContact O-CB 3.31Å; I271-R275 PolarHBondContact O-N 3.13Å; S273-R275 PolarHBondContact O-N 3.31Å; R275-W278 PolarHBondContact O-N 2.82Å; R275-I279 HydrophobicContact CG-CD1 3.58Å; R275-I279 HydrophobicContact CG-CG1 4.31Å; R275-I279 WeakPolarHBondContact O-CB 3.38Å; R275-I279 VanDerWaalsContact O-CG1 3.29Å; R275-I279 WeakPolarHBondContact O-CG1 3.42Å; R275-I279 PolarHBondContact O-N 3.31Å
276H96.5Very high96.2Very high20 Ų2078.1 Ų78.19%0.09335%0.349CS..Hα-helixtrans-63.4-47.3178-176.393.2000111.4W199 M272 S273 F274 W278 I279 H280W199-H276 HydrophobicContact CB-CB 3.71Å; W199-H276 HydrophobicContact CG-CB 3.95Å; M272-H276 WeakPolarHBondContact O-CB 3.47Å; M272-H276 PolarHBondContact O-N 3.04Å; S273-H276 WeakPolarHBondContact O-CB 3.44Å; S273-H276 PolarHBondContact O-N 3.09Å; S273-H276 VanDerWaalsContact O-N 3.17Å; F274-H276 VanDerWaalsContact C-N 3.31Å; F274-H276 PolarHBondContact O-N 3.17Å; H276-W278 VanDerWaalsContact C-N 3.28Å; H276-W278 PolarHBondContact O-N 3.23Å; H276-I279 PolarHBondContact O-N 3.18Å; H276-H280 AromaticContact CE1-CD2 3.36Å; H276-H280 PolarHBondContact CE1-CD2 3.48Å; H276-H280 AromaticContact CE1-NE2 3.83Å; H276-H280 AromaticContact CG-CD2 3.83Å; H276-H280 AromaticContact ND1-CD2 3.4Å; H276-H280 PolarHBondContact ND1-CD2 2.97Å; H276-H280 AromaticContact ND1-NE2 3.86Å; H276-H280 AromaticContact NE2-CD2 3.75Å; H276-H280 WeakPolarHBondContact O-CB 3.44Å; H276-H280 PolarHBondContact O-CD2 3.38Å; H276-H280 PolarHBondContact O-N 3.35Å
277M97.5Very high96.3Very high6 Ų682.6 Ų82.63%0.0337%0.371CS..Hα-helixtrans-58.2-42.4177.1-66.4-173.1-68.100111.7S273 F274 K281 R282 D285 F286 V289S273-M277 WeakPolarHBondContact O-CG 3.48Å; S273-M277 PolarHBondContact O-N 3.39Å; F274-M277 HydrophobicContact CB-CE 4.38Å; F274-M277 HydrophobicContact CD1-CE 3.44Å; F274-M277 VanDerWaalsContact CD1-CE 3.44Å; F274-M277 HydrophobicContact CE1-CE 3.76Å; F274-M277 HydrophobicContact CG-CE 3.91Å; F274-M277 HydrophobicContact CZ-CE 4.46Å; F274-M277 PolarHBondContact O-N 2.88Å; M277-K281 CarbonylContact O-C 3.48Å; M277-K281 VanDerWaalsContact O-CA 3.28Å; M277-K281 WeakPolarHBondContact O-CA 3.4Å; M277-K281 PolarHBondContact O-N 2.87Å; M277-R282 PolarHBondContact O-N 3.49Å; M277-D285 HydrophobicContact CG-CB 3.84Å; M277-D285 HydrophobicContact SD-CB 3.61Å; M277-F286 HydrophobicContact CE-CD2 4.41Å; M277-F286 WeakPolarHBondContact SD-CA 3.3Å; M277-F286 HydrophobicContact SD-CB 4.04Å; M277-F286 PolarHBondContact SD-N 3.05Å; M277-V289 HydrophobicContact CE-CB 4.26Å; M277-V289 HydrophobicContact CE-CG1 4.32Å; M277-V289 HydrophobicContact CE-CG2 4.01Å; M277-V289 HydrophobicContact SD-CB 4.49Å; M277-V289 HydrophobicContact SD-CG2 3.99Å
278W97.1Very high96.5Very high220 Ų22082.5 Ų82.583%0.83337%0.365SS*.Hα-helixtrans-65.7-53.7178.4-172.9-96.2000112.6F274 R275 H276 H280 K281F274-W278 WeakPolarHBondContact O-CB 3.34Å; F274-W278 PolarHBondContact O-N 3.29Å; R275-W278 PolarHBondContact O-N 2.82Å; H276-W278 VanDerWaalsContact C-N 3.28Å; H276-W278 PolarHBondContact O-N 3.23Å; W278-H280 VanDerWaalsContact C-N 3.32Å; W278-H280 PolarHBondContact O-N 3.06Å; W278-K281 PolarHBondContact O-N 3.06Å
279I96Very high96.6Very high96 Ų9677.8 Ų77.849%0.49235%0.346SS..Hα-helixtrans-62.9-40.6-177-70.1174000111.3R275 H276R275-I279 HydrophobicContact CG-CD1 3.58Å; R275-I279 HydrophobicContact CG-CG1 4.31Å; R275-I279 WeakPolarHBondContact O-CB 3.38Å; R275-I279 VanDerWaalsContact O-CG1 3.29Å; R275-I279 WeakPolarHBondContact O-CG1 3.42Å; R275-I279 PolarHBondContact O-N 3.31Å; H276-I279 PolarHBondContact O-N 3.18Å
280H94.1Very high96.7Very high105 Ų10580 Ų8049%0.48636%0.358SS..THydrogen-bonded Turntrans-967-177-64.6-70.7000113.7H276 W278 R282H276-H280 AromaticContact CE1-CD2 3.36Å; H276-H280 PolarHBondContact CE1-CD2 3.48Å; H276-H280 AromaticContact CE1-NE2 3.83Å; H276-H280 AromaticContact CG-CD2 3.83Å; H276-H280 AromaticContact ND1-CD2 3.4Å; H276-H280 PolarHBondContact ND1-CD2 2.97Å; H276-H280 AromaticContact ND1-NE2 3.86Å; H276-H280 AromaticContact NE2-CD2 3.75Å; H276-H280 WeakPolarHBondContact O-CB 3.44Å; H276-H280 PolarHBondContact O-CD2 3.38Å; H276-H280 PolarHBondContact O-N 3.35Å; W278-H280 VanDerWaalsContact C-N 3.32Å; W278-H280 PolarHBondContact O-N 3.06Å; H280-R282 HydrophobicContact CB-CG 4.01Å; H280-R282 PolarHBondContact O-N 3.15Å
281K96.3Very high96.8Very high179 Ų17980.2 Ų80.278%0.77837%0.365SS*.THydrogen-bonded Turntrans49.542.1179.5-57.3-178.2179-177.70112.9M277 W278 I283M277-K281 CarbonylContact O-C 3.48Å; M277-K281 VanDerWaalsContact O-CA 3.28Å; M277-K281 WeakPolarHBondContact O-CA 3.4Å; M277-K281 PolarHBondContact O-N 2.87Å; W278-K281 PolarHBondContact O-N 3.06Å; K281-I283 PolarHBondContact O-N 2.93Å
282R95.4Very high96.8Very high108 Ų10875.3 Ų75.341%0.40834%0.34SS..  trans-81.383.9-179.5-63.2-61-167.6142.17.8110.1H198 M277 H280 E284 D285 F286H198-R282 PolarHBondContact CD2-NH1 2.92Å; H198-R282 PolarHBondContact NE2-NH1 3.28Å; M277-R282 PolarHBondContact O-N 3.49Å; H280-R282 HydrophobicContact CB-CG 4.01Å; H280-R282 PolarHBondContact O-N 3.15Å; R282-E284 VanDerWaalsContact C-N 3.33Å; R282-D285 HydrophobicContact CB-CB 4.08Å; R282-F286 WeakPolarHBondContact O-CB 3.48Å; R282-F286 PolarHBondContact O-N 3.07Å; R282-F286 VanDerWaalsContact O-N 3.17Å
283I96.6Very high96.9Very high123 Ų12376.2 Ų76.263%0.63134%0.342SS*.Hα-helixtrans-63.4-40.5-179.6-61.7173.7000111K281 F286 L287K281-I283 PolarHBondContact O-N 2.93Å; I283-F286 WeakPolarHBondContact O-CB 3.29Å; I283-F286 PolarHBondContact O-N 3.24Å; I283-L287 HydrophobicContact CG2-CD1 4.1Å; I283-L287 HydrophobicContact CG2-CG 4.25Å; I283-L287 WeakPolarHBondContact O-CG 3.28Å; I283-L287 PolarHBondContact O-N 2.99Å
284E95.9Very high96.9Very high101 Ų10179.1 Ų79.147%0.47237%0.365SS..Hα-helixtrans-61.3-53.2-179.5179.9165.5-150.400112.6R282 F286 L287 Y288R282-E284 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 3.41Å; E284-L287 PolarHBondContact O-N 2.91Å; E284-L287 VanDerWaalsContact O-N 3.11Å; E284-Y288 HydrophobicContact CG-CD2 3.98Å; E284-Y288 HydrophobicContact CG-CE2 3.68Å; E284-Y288 VanDerWaalsContact O-CD2 3.27Å; E284-Y288 WeakPolarHBondContact O-CD2 3.26Å; E284-Y288 PolarHBondContact O-N 3.41Å
285D96.8Very high96.9Very high4 Ų478 Ų782%0.02136%0.36CS..Hα-helixtrans-53.9-43173.1-78.9-19.2000111.1S196 C197 H198 M277 R282 L287 Y288 V289S196-D285 WeakPolarHBondContact CB-OD2 3.37Å; S196-D285 PolarHBondContact OG-OD2 3.28Å; C197-D285 PolarHBondContact SG-OD1 3.23Å; H198-D285 IonicContact CD2-OD2 3.72Å; H198-D285 IonicContact CG-OD2 2.65Å; M277-D285 HydrophobicContact CG-CB 3.84Å; M277-D285 HydrophobicContact SD-CB 3.61Å; R282-D285 HydrophobicContact CB-CB 4.08Å; D285-L287 PolarHBondContact O-N 2.99Å; D285-Y288 PolarHBondContact O-N 3.22Å; D285-V289 VanDerWaalsContact O-CG2 3.29Å; D285-V289 WeakPolarHBondContact O-CG2 3.46Å; D285-V289 PolarHBondContact O-N 3.39Å
286F97.3Very high96.9Very high90 Ų9071.1 Ų71.140%0.39533%0.334SS..Hα-helixtrans-61.5-43.8179-179.7-98.2000111.9F274 M277 R282 I283 E284 V289 M290F274-F286 HydrophobicContact CE1-CD2 4.45Å; F274-F286 HydrophobicContact CE1-CE2 4.28Å; M277-F286 HydrophobicContact CE-CD2 4.41Å; M277-F286 WeakPolarHBondContact SD-CA 3.3Å; M277-F286 HydrophobicContact SD-CB 4.04Å; M277-F286 PolarHBondContact SD-N 3.05Å; R282-F286 WeakPolarHBondContact O-CB 3.48Å; R282-F286 PolarHBondContact O-N 3.07Å; R282-F286 VanDerWaalsContact O-N 3.17Å; I283-F286 WeakPolarHBondContact O-CB 3.29Å; I283-F286 PolarHBondContact O-N 3.24Å; E284-F286 PolarHBondContact O-N 3.41Å; F286-V289 PolarHBondContact O-N 3.36Å; F286-M290 HydrophobicContact CD1-CG 4.08Å; F286-M290 HydrophobicContact CD2-CG 4.44Å; F286-M290 HydrophobicContact CE1-CG 3.67Å; F286-M290 HydrophobicContact CE2-CG 4.06Å; F286-M290 HydrophobicContact CE2-SD 4.09Å; F286-M290 HydrophobicContact CG-CG 4.45Å; F286-M290 HydrophobicContact CZ-CG 3.66Å; F286-M290 HydrophobicContact CZ-SD 3.94Å; F286-M290 WeakPolarHBondContact O-CB 3.29Å; F286-M290 VanDerWaalsContact O-CG 3.29Å; F286-M290 WeakPolarHBondContact O-CG 3.46Å; F286-M290 PolarHBondContact O-N 2.92Å
287L97.7Very high97Very high114 Ų11472.8 Ų72.860%0.59734%0.344SS*.Hα-helixtrans-62.7-42.7177.1-69.5174.6000112I283 E284 D285 M290 G291I283-L287 HydrophobicContact CG2-CD1 4.1Å; I283-L287 HydrophobicContact CG2-CG 4.25Å; I283-L287 WeakPolarHBondContact O-CG 3.28Å; I283-L287 PolarHBondContact O-N 2.99Å; E284-L287 PolarHBondContact O-N 2.91Å; E284-L287 VanDerWaalsContact O-N 3.11Å; D285-L287 PolarHBondContact O-N 2.99Å; L287-M290 PolarHBondContact O-N 3.41Å; L287-G291 PolarHBondContact O-N 2.95Å
288Y97.6Very high97Very high56 Ų5677.3 Ų77.322%0.2238%0.375CS..Hα-helixtrans-62.8-43.9175.5-78.6-69.2000112.2E186 I187 L191 E284 D285 G291 F292E186-Y288 HydrophobicContact CB-CD2 3.99Å; E186-Y288 HydrophobicContact CB-CE1 4.41Å; E186-Y288 HydrophobicContact CB-CE2 3.56Å; E186-Y288 HydrophobicContact CG-CD2 4.48Å; E186-Y288 HydrophobicContact CG-CE2 4.08Å; E186-Y288 PolarHBondContact OE2-OH 2.93Å; I187-Y288 HydrophobicContact CG1-CE1 4.25Å; L191-Y288 HydrophobicContact CB-CD1 4.16Å; E284-Y288 HydrophobicContact CG-CD2 3.98Å; E284-Y288 HydrophobicContact CG-CE2 3.68Å; E284-Y288 VanDerWaalsContact O-CD2 3.27Å; E284-Y288 WeakPolarHBondContact O-CD2 3.26Å; E284-Y288 PolarHBondContact O-N 3.41Å; D285-Y288 PolarHBondContact O-N 3.22Å; Y288-G291 WeakPolarHBondContact O-CA 3.37Å; Y288-G291 PolarHBondContact O-N 3.22Å; Y288-F292 PolarHBondContact O-N 3.36Å
289V97.5Very high97Very high0 Ų068.9 Ų68.90%035%0.346CS..Hα-helixtrans-63.9-42.3177.4172.80000111.2F274 M277 D285 F286 G291 F292 W293F274-V289 HydrophobicContact CE1-CG1 4.1Å; F274-V289 HydrophobicContact CE2-CG1 4.31Å; F274-V289 HydrophobicContact CZ-CG1 3.63Å; M277-V289 HydrophobicContact CE-CB 4.26Å; M277-V289 HydrophobicContact CE-CG1 4.32Å; M277-V289 HydrophobicContact CE-CG2 4.01Å; M277-V289 HydrophobicContact SD-CB 4.49Å; M277-V289 HydrophobicContact SD-CG2 3.99Å; D285-V289 VanDerWaalsContact O-CG2 3.29Å; D285-V289 WeakPolarHBondContact O-CG2 3.46Å; D285-V289 PolarHBondContact O-N 3.39Å; F286-V289 PolarHBondContact O-N 3.36Å; V289-G291 VanDerWaalsContact C-N 3.29Å; V289-G291 PolarHBondContact O-N 2.99Å; V289-F292 WeakPolarHBondContact O-CB 3.5Å; V289-F292 PolarHBondContact O-N 3.49Å; V289-W293 PolarHBondContact O-N 3.15Å
290M97.5Very high97.1Very high83 Ų8364.3 Ų64.341%0.40932%0.322SS..Hα-helixtrans-65.4-34.7174.4-67.6-48.2-59.800111.9F286 L287 F292 W293 A294F286-M290 HydrophobicContact CD1-CG 4.08Å; F286-M290 HydrophobicContact CD2-CG 4.44Å; F286-M290 HydrophobicContact CE1-CG 3.67Å; F286-M290 HydrophobicContact CE2-CG 4.06Å; F286-M290 HydrophobicContact CE2-SD 4.09Å; F286-M290 HydrophobicContact CG-CG 4.45Å; F286-M290 HydrophobicContact CZ-CG 3.66Å; F286-M290 HydrophobicContact CZ-SD 3.94Å; F286-M290 WeakPolarHBondContact O-CB 3.29Å; F286-M290 VanDerWaalsContact O-CG 3.29Å; F286-M290 WeakPolarHBondContact O-CG 3.46Å; F286-M290 PolarHBondContact O-N 2.92Å; L287-M290 PolarHBondContact O-N 3.41Å; M290-F292 VanDerWaalsContact C-N 3.34Å; M290-W293 PolarHBondContact O-N 3.3Å; M290-A294 WeakPolarHBondContact O-CB 3.45Å; M290-A294 PolarHBondContact O-N 3.39Å
291G97.8Very high97.3Very high23 Ų2365.6 Ų65.624%0.23732%0.324CS..Hα-helixtrans-60.1-40.817100000112.8L287 Y288 V289 A294 K295L287-G291 PolarHBondContact O-N 2.95Å; Y288-G291 WeakPolarHBondContact O-CA 3.37Å; Y288-G291 PolarHBondContact O-N 3.22Å; V289-G291 VanDerWaalsContact C-N 3.29Å; V289-G291 PolarHBondContact O-N 2.99Å; G291-A294 PolarHBondContact O-N 3.45Å; G291-K295 WeakPolarHBondContact O-CB 3.4Å; G291-K295 PolarHBondContact O-N 2.94Å
292F97.4Very high97.3Very high0 Ų061.5 Ų61.50%032%0.318CS..Hα-helixtrans-58.8-49.7173.2168.2-92.1000111.5G190 L191 T192 G194 Y288 V289 M290 K295 L296 F313G190-F292 WeakPolarHBondContact O-CB 3.35Å; L191-F292 WeakPolarHBondContact O-CB 3.32Å; L191-F292 WeakPolarHBondContact O-CD2 3.35Å; T192-F292 WeakPolarHBondContact O-CD2 3.38Å; T192-F292 VanDerWaalsContact O-CE2 3.27Å; T192-F292 WeakPolarHBondContact O-CE2 3.41Å; G194-F292 VanDerWaalsContact CA-CG 3.49Å; Y288-F292 PolarHBondContact O-N 3.36Å; V289-F292 WeakPolarHBondContact O-CB 3.5Å; V289-F292 PolarHBondContact O-N 3.49Å; M290-F292 VanDerWaalsContact C-N 3.34Å; F292-K295 WeakPolarHBondContact O-CB 3.42Å; F292-K295 PolarHBondContact O-N 3.37Å; F292-L296 HydrophobicContact CE1-CD2 4.22Å; F292-L296 HydrophobicContact CZ-CB 4.45Å; F292-L296 HydrophobicContact CZ-CD2 4.32Å; F292-L296 WeakPolarHBondContact O-CB 3.48Å; F292-L296 PolarHBondContact O-N 3.43Å; F292-F313 HydrophobicContact CE1-CD2 4.35Å; F292-F313 AromaticContact CE1-CE2 3.61Å; F292-F313 HydrophobicContact CE1-CE2 3.61Å; F292-F313 AromaticContact CE1-CZ 3.77Å; F292-F313 HydrophobicContact CE1-CZ 3.77Å; F292-F313 HydrophobicContact CE2-CE2 4.46Å; F292-F313 AromaticContact CZ-CD2 3.93Å; F292-F313 HydrophobicContact CZ-CD2 3.93Å; F292-F313 AromaticContact CZ-CE2 3.29Å; F292-F313 HydrophobicContact CZ-CE2 3.29Å; F292-F313 AromaticContact CZ-CZ 3.93Å; F292-F313 HydrophobicContact CZ-CZ 3.93Å
293W97Very high97.5Very high55 Ų5558.4 Ų58.421%0.20831%0.309CS..Hα-helixtrans-65-40.4-179.8-74.3108.7000112.4V289 M290 L296 L297 L310 F313V289-W293 PolarHBondContact O-N 3.15Å; M290-W293 PolarHBondContact O-N 3.3Å; W293-L296 HydrophobicContact CE3-CD2 3.88Å; W293-L296 HydrophobicContact CZ3-CD2 3.83Å; W293-L296 PolarHBondContact O-N 2.94Å; W293-L297 WeakPolarHBondContact O-CB 3.4Å; W293-L297 WeakPolarHBondContact O-CG 3.41Å; W293-L297 PolarHBondContact O-N 3.02Å; W293-L310 HydrophobicContact CZ3-CD2 4.14Å; W293-F313 AromaticContact CH2-CD1 3.69Å; W293-F313 HydrophobicContact CH2-CD1 3.69Å; W293-F313 AromaticContact CH2-CE1 3.31Å; W293-F313 HydrophobicContact CH2-CE1 3.31Å; W293-F313 HydrophobicContact CH2-CZ 4.09Å; W293-F313 AromaticContact CZ2-CE1 3.94Å; W293-F313 HydrophobicContact CZ2-CE1 3.94Å; W293-F313 HydrophobicContact CZ2-CZ 4.39Å; W293-F313 AromaticContact CZ3-CD1 3.93Å; W293-F313 HydrophobicContact CZ3-CD1 3.93Å; W293-F313 AromaticContact CZ3-CE1 3.95Å; W293-F313 HydrophobicContact CZ3-CE1 3.95Å
294A98.1Very high97.5Very high60 Ų6054.1 Ų54.150%0.49629%0.287SS..Hα-helixtrans-61.8-44.6174.400000111.7M290 G291 C298M290-A294 WeakPolarHBondContact O-CB 3.45Å; M290-A294 PolarHBondContact O-N 3.39Å; G291-A294 PolarHBondContact O-N 3.45Å; A294-C298 WeakPolarHBondContact O-CB 3.29Å; A294-C298 PolarHBondContact O-N 3.42Å
295K97.5Very high97.6Very high50 Ų5050.8 Ų50.822%0.21728%0.28CS..Hα-helixtrans-59.4-50.5174.6179.9-16964.2164.60111.2E131 L191 G291 F292 L297 C298 L299E131-K295 WeakPolarHBondContact OE1-CE 3.39Å; E131-K295 IonicContact OE1-NZ 3.91Å; E131-K295 PolarHBondContact OE1-NZ 3.43Å; E131-K295 IonicContact OE2-NZ 3.39Å; E131-K295 PolarHBondContact OE2-NZ 3Å; L191-K295 PolarHBondContact O-NZ 3.44Å; G291-K295 WeakPolarHBondContact O-CB 3.4Å; G291-K295 PolarHBondContact O-N 2.94Å; F292-K295 WeakPolarHBondContact O-CB 3.42Å; F292-K295 PolarHBondContact O-N 3.37Å; K295-L297 PolarHBondContact O-N 2.97Å; K295-C298 PolarHBondContact O-N 3.36Å; K295-L299 HydrophobicContact CG-CD1 3.92Å; K295-L299 HydrophobicContact CG-CG 4.49Å; K295-L299 WeakPolarHBondContact O-CG 3.28Å; K295-L299 PolarHBondContact O-N 3.4Å
296L97.6Very high97.6Very high0 Ų055.1 Ų55.10%030%0.298CS..Hα-helixtrans-58.2-48.6-179.1179.472.7000111.3Y155 F292 W293 L299 Y300 T309 F313Y155-L296 HydrophobicContact CE1-CD1 4.25Å; F292-L296 HydrophobicContact CE1-CD2 4.22Å; F292-L296 HydrophobicContact CZ-CB 4.45Å; F292-L296 HydrophobicContact CZ-CD2 4.32Å; F292-L296 WeakPolarHBondContact O-CB 3.48Å; F292-L296 PolarHBondContact O-N 3.43Å; W293-L296 HydrophobicContact CE3-CD2 3.88Å; W293-L296 HydrophobicContact CZ3-CD2 3.83Å; W293-L296 PolarHBondContact O-N 2.94Å; L296-L299 PolarHBondContact O-N 2.93Å; L296-Y300 HydrophobicContact CD1-CD2 3.9Å; L296-Y300 HydrophobicContact CD1-CE2 4.32Å; L296-Y300 PolarHBondContact O-N 3.46Å; L296-T309 HydrophobicContact CD2-CG2 4.43Å; L296-T309 HydrophobicContact CG-CG2 4.05Å; L296-F313 HydrophobicContact CD1-CB 4.38Å; L296-F313 HydrophobicContact CD1-CD2 4.28Å; L296-F313 HydrophobicContact CD2-CB 3.75Å; L296-F313 HydrophobicContact CD2-CD1 4.27Å; L296-F313 HydrophobicContact CD2-CD2 3.77Å; L296-F313 HydrophobicContact CD2-CE2 4.45Å; L296-F313 HydrophobicContact CD2-CG 3.65Å
297L97.8Very high97.6Very high56 Ų5659.9 Ų59.929%0.29331%0.314SS..Hα-helixtrans-65.6-44.6178.2-70.3171.5000111.3W293 K295 L299 Y301 F306 T309W293-L297 WeakPolarHBondContact O-CB 3.4Å; W293-L297 WeakPolarHBondContact O-CG 3.41Å; W293-L297 PolarHBondContact O-N 3.02Å; K295-L297 PolarHBondContact O-N 2.97Å; L297-L299 VanDerWaalsContact C-N 3.29Å; L297-L299 PolarHBondContact O-N 3Å; L297-Y301 WeakPolarHBondContact O-CA 3.41Å; L297-Y301 WeakPolarHBondContact O-CB 3.48Å; L297-Y301 PolarHBondContact O-N 2.56Å; L297-F306 HydrophobicContact CD2-CD2 4.35Å; L297-F306 HydrophobicContact CD2-CE2 4.47Å; L297-T309 HydrophobicContact CD2-CG2 4.21Å
298C97.7Very high97.7Very high101 Ų10155.8 Ų55.868%0.68230%0.3SS*.Hα-helixtrans-57.7-41.7178.6-178.40000112.4A294 K295A294-C298 WeakPolarHBondContact O-CB 3.29Å; A294-C298 PolarHBondContact O-N 3.42Å; K295-C298 PolarHBondContact O-N 3.36Å
299L97.8Very high97.7Very high42 Ų4253.1 Ų53.122%0.2229%0.289CS..Hα-helixtrans-78-45.2-178.2-66.4177.2000113Y135 K295 L296 L297Y135-L299 HydrophobicContact CD1-CD2 4.38Å; Y135-L299 HydrophobicContact CD2-CB 3.87Å; Y135-L299 HydrophobicContact CD2-CD2 4.11Å; Y135-L299 HydrophobicContact CD2-CG 4.45Å; Y135-L299 HydrophobicContact CE1-CD2 4.19Å; Y135-L299 HydrophobicContact CE2-CB 3.99Å; Y135-L299 HydrophobicContact CE2-CD2 3.9Å; Y135-L299 VanDerWaalsContact CE2-O 3.26Å; Y135-L299 WeakPolarHBondContact CE2-O 3.41Å; Y135-L299 HydrophobicContact CG-CD2 4.34Å; K295-L299 HydrophobicContact CG-CD1 3.92Å; K295-L299 HydrophobicContact CG-CG 4.49Å; K295-L299 WeakPolarHBondContact O-CG 3.28Å; K295-L299 PolarHBondContact O-N 3.4Å; L296-L299 PolarHBondContact O-N 2.93Å; L297-L299 VanDerWaalsContact C-N 3.29Å; L297-L299 PolarHBondContact O-N 3Å
300Y98.2Very high97.7Very high0 Ų055.4 Ų55.40%030%0.301CS..Hα-helixtrans-104.6-16.7-167.2-67.5-86.5000114.4L138 Y155 L296 S302 L303 L304 T309 Y312L138-Y300 HydrophobicContact CD1-CD1 4.15Å; L138-Y300 HydrophobicContact CD1-CE1 3.96Å; Y155-Y300 HydrophobicContact CE1-CE2 4.08Å; L296-Y300 HydrophobicContact CD1-CD2 3.9Å; L296-Y300 HydrophobicContact CD1-CE2 4.32Å; L296-Y300 PolarHBondContact O-N 3.46Å; Y300-S302 PolarHBondContact O-N 3.17Å; Y300-L303 PolarHBondContact O-N 3.26Å; Y300-L303 VanDerWaalsContact O-N 3.13Å; Y300-L304 HydrophobicContact CD1-CD1 4.21Å; Y300-L304 PolarHBondContact O-N 3.31Å; Y300-T309 PolarHBondContact O-OG1 3.47Å; Y300-T309 VanDerWaalsContact O-OG1 3.09Å; Y300-Y312 HydrophobicContact CD1-CD1 4.12Å; Y300-Y312 AromaticContact CD1-CE1 3.65Å; Y300-Y312 HydrophobicContact CD1-CE1 3.65Å; Y300-Y312 HydrophobicContact CD2-CE1 4.24Å; Y300-Y312 HydrophobicContact CE1-CD1 4.34Å; Y300-Y312 AromaticContact CE1-CE1 3.43Å; Y300-Y312 HydrophobicContact CE1-CE1 3.43Å; Y300-Y312 VanDerWaalsContact CE1-CE1 3.43Å; Y300-Y312 AromaticContact CE1-CZ 3.56Å; Y300-Y312 WeakPolarHBondContact CE1-OH 3.38Å; Y300-Y312 HydrophobicContact CE2-CE1 4.06Å; Y300-Y312 HydrophobicContact CG-CD1 4.32Å; Y300-Y312 HydrophobicContact CG-CE1 4.04Å; Y300-Y312 AromaticContact CZ-CE1 3.65Å; Y300-Y312 AromaticContact CZ-CZ 3.92Å; Y300-Y312 PolarHBondContact OH-OH 3.29Å
301Y97.7Very high97.7Very high133 Ų13355.9 Ų55.952%0.52231%0.309SS..Hα-helixtrans-60.2-44.3-178.7174.2-90000112.5L297 L303 G305 F306 T309L297-Y301 WeakPolarHBondContact O-CA 3.41Å; L297-Y301 WeakPolarHBondContact O-CB 3.48Å; L297-Y301 PolarHBondContact O-N 2.56Å; Y301-L303 PolarHBondContact O-N 3.21Å; Y301-G305 WeakPolarHBondContact O-CA 3.4Å; Y301-G305 PolarHBondContact O-N 3.05Å; Y301-F306 HydrophobicContact CD2-CB 4.16Å; Y301-F306 HydrophobicContact CE2-CB 3.89Å; Y301-T309 WeakPolarHBondContact CA-OG1 3.24Å; Y301-T309 PolarHBondContact N-OG1 3.12Å
302S97Very high97.7Very high92 Ų9255.1 Ų55.164%0.64330%0.299SS*.Hα-helixtrans-68.4-24.3179.556.80000112.8Y300Y300-S302 PolarHBondContact O-N 3.17Å
303L98Very high97.7Very high43 Ų4355.7 Ų55.723%0.22530%0.301CS..Hα-helixtrans-89.5-38.5-177.2-57.3178.8000112.2Y135 L138 A139 T143 Y300 Y301Y135-L303 HydrophobicContact CD2-CD1 4.04Å; Y135-L303 HydrophobicContact CE2-CD1 3.82Å; L138-L303 HydrophobicContact CB-CD1 3.88Å; A139-L303 HydrophobicContact CB-CD1 4.33Å; T143-L303 HydrophobicContact CG2-CB 4.21Å; Y300-L303 PolarHBondContact O-N 3.26Å; Y300-L303 VanDerWaalsContact O-N 3.13Å; Y301-L303 PolarHBondContact O-N 3.21Å
304L98Very high97.7Very high34 Ų3457.6 Ų57.618%0.17831%0.311CS..Hα-helixtrans-122.3-4.7-169.6-56.3178.4000113.7L138 T143 I148 Y300 G308 Y312L138-L304 HydrophobicContact CD1-CD1 4.49Å; T143-L304 HydrophobicContact CG2-CD2 4Å; I148-L304 HydrophobicContact CD1-CD2 4.05Å; I148-L304 HydrophobicContact CG1-CD2 4.36Å; Y300-L304 HydrophobicContact CD1-CD1 4.21Å; Y300-L304 PolarHBondContact O-N 3.31Å; L304-G308 VanDerWaalsContact O-CA 3.26Å; L304-G308 WeakPolarHBondContact O-CA 3.34Å; L304-G308 PolarHBondContact O-N 3.27Å; L304-Y312 HydrophobicContact CD1-CD1 4.19Å; L304-Y312 HydrophobicContact CD1-CD2 4.07Å; L304-Y312 HydrophobicContact CD1-CG 3.73Å
305G97.7Very high97.8Very high30 Ų3057.3 Ų57.331%0.30930%0.303SS..Hα-helixtrans70.5179.5-168.300000112.7Y301 T309Y301-G305 WeakPolarHBondContact O-CA 3.4Å; Y301-G305 PolarHBondContact O-N 3.05Å; G305-T309 VanDerWaalsContact O-CB 3.3Å; G305-T309 WeakPolarHBondContact O-CB 3.27Å; G305-T309 PolarHBondContact O-N 3.46Å; G305-T309 PolarHBondContact O-OG1 3.11Å
306F97.5Very high97.8Very high95 Ų9554.9 Ų54.942%0.41729%0.293SS..Hα-helixtrans-61.2-59.6-179.7-177.8-107.7000112.3L297 Y301 G308 T309 L310L297-F306 HydrophobicContact CD2-CD2 4.35Å; L297-F306 HydrophobicContact CD2-CE2 4.47Å; Y301-F306 HydrophobicContact CD2-CB 4.16Å; Y301-F306 HydrophobicContact CE2-CB 3.89Å; F306-G308 PolarHBondContact O-N 2.84Å; F306-T309 PolarHBondContact O-N 2.89Å; F306-L310 HydrophobicContact CD1-CD1 4.21Å; F306-L310 HydrophobicContact CE1-CD1 3.6Å; F306-L310 HydrophobicContact CE2-CD1 4.28Å; F306-L310 HydrophobicContact CZ-CD1 3.64Å; F306-L310 HydrophobicContact CZ-CG 4.47Å; F306-L310 PolarHBondContact O-N 3.11Å; F306-L310 VanDerWaalsContact O-N 3.11Å
307W97.5Very high97.8Very high190 Ų19055.3 Ų55.372%0.7229%0.294SS*.Hα-helixtrans-66.5-37.3-177.3-66.6117.7000112.4T309 L310 V311W307-T309 PolarHBondContact O-N 2.7Å; W307-L310 HydrophobicContact CE3-CD1 3.98Å; W307-L310 HydrophobicContact CZ3-CD1 4Å; W307-L310 PolarHBondContact O-N 2.9Å; W307-V311 WeakPolarHBondContact O-CG2 3.48Å; W307-V311 PolarHBondContact O-N 3.36Å
308G98.1Very high97.8Very high29 Ų2954.1 Ų54.130%0.29929%0.289SS..Hα-helixtrans-64.5-39.2176.200000112.4L304 F306 V311 Y312L304-G308 VanDerWaalsContact O-CA 3.26Å; L304-G308 WeakPolarHBondContact O-CA 3.34Å; L304-G308 PolarHBondContact O-N 3.27Å; F306-G308 PolarHBondContact O-N 2.84Å; G308-V311 PolarHBondContact O-N 3.11Å; G308-Y312 WeakPolarHBondContact O-CB 3.43Å; G308-Y312 PolarHBondContact O-N 3.4Å
309T98.4Very high97.8Very high0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-61.7-44.5172.8-610000112.1L296 L297 Y300 Y301 G305 F306 W307 Y312 F313L296-T309 HydrophobicContact CD2-CG2 4.43Å; L296-T309 HydrophobicContact CG-CG2 4.05Å; L297-T309 HydrophobicContact CD2-CG2 4.21Å; Y300-T309 PolarHBondContact O-OG1 3.47Å; Y300-T309 VanDerWaalsContact O-OG1 3.09Å; Y301-T309 WeakPolarHBondContact CA-OG1 3.24Å; Y301-T309 PolarHBondContact N-OG1 3.12Å; G305-T309 VanDerWaalsContact O-CB 3.3Å; G305-T309 WeakPolarHBondContact O-CB 3.27Å; G305-T309 PolarHBondContact O-N 3.46Å; G305-T309 PolarHBondContact O-OG1 3.11Å; F306-T309 PolarHBondContact O-N 2.89Å; W307-T309 PolarHBondContact O-N 2.7Å; T309-Y312 PolarHBondContact O-N 2.9Å; T309-F313 WeakPolarHBondContact O-CB 3.39Å; T309-F313 PolarHBondContact O-N 3.5Å
310L97.3Very high97.8Very high48 Ų4850.7 Ų50.725%0.25126%0.263SS..Hα-helixtrans-65.7-44.1178.7-68.3-176.8000112.1W293 F306 W307 F313 F314W293-L310 HydrophobicContact CZ3-CD2 4.14Å; F306-L310 HydrophobicContact CD1-CD1 4.21Å; F306-L310 HydrophobicContact CE1-CD1 3.6Å; F306-L310 HydrophobicContact CE2-CD1 4.28Å; F306-L310 HydrophobicContact CZ-CD1 3.64Å; F306-L310 HydrophobicContact CZ-CG 4.47Å; F306-L310 PolarHBondContact O-N 3.11Å; F306-L310 VanDerWaalsContact O-N 3.11Å; W307-L310 HydrophobicContact CE3-CD1 3.98Å; W307-L310 HydrophobicContact CZ3-CD1 4Å; W307-L310 PolarHBondContact O-N 2.9Å; L310-F313 PolarHBondContact O-N 2.93Å; L310-F314 VanDerWaalsContact O-CB 3.31Å; L310-F314 WeakPolarHBondContact O-CB 3.17Å; L310-F314 PolarHBondContact O-N 3.22Å
311V98Very high97.7Very high93 Ų9350.7 Ų50.756%0.56426%0.263SS*.Hα-helixtrans-62.5-47.6175.7170.80000110.3W307 G308 F313 F314 V315W307-V311 WeakPolarHBondContact O-CG2 3.48Å; W307-V311 PolarHBondContact O-N 3.36Å; G308-V311 PolarHBondContact O-N 3.11Å; V311-F313 PolarHBondContact O-N 3.3Å; V311-F314 PolarHBondContact O-N 3.23Å; V311-F314 VanDerWaalsContact O-N 3.16Å; V311-V315 HydrophobicContact CG1-CG2 4.42Å; V311-V315 WeakPolarHBondContact O-CG2 3.35Å; V311-V315 PolarHBondContact O-N 2.92Å
312Y98.4Very high97.7Very high7 Ų747 Ų473%0.02725%0.251CS..Hα-helixtrans-53.8-50.4176.3169.9-101.6000111.9I148 S151 I152 Y155 Y300 L304 G308 T309 F314 V315 I316I148-Y312 HydrophobicContact CG2-CD2 4.38Å; S151-Y312 PolarHBondContact OG-OH 3.07Å; I152-Y312 HydrophobicContact CB-CE2 4.48Å; I152-Y312 HydrophobicContact CD1-CD2 4.08Å; I152-Y312 HydrophobicContact CD1-CE2 4.41Å; I152-Y312 HydrophobicContact CG1-CD2 3.56Å; I152-Y312 HydrophobicContact CG1-CE2 3.42Å; I152-Y312 VanDerWaalsContact CG1-CE2 3.42Å; Y155-Y312 AromaticContact CD1-CE1 3.87Å; Y155-Y312 HydrophobicContact CD1-CE1 3.87Å; Y155-Y312 WeakPolarHBondContact CD1-OH 3.31Å; Y155-Y312 HydrophobicContact CE1-CE1 4.28Å; Y300-Y312 HydrophobicContact CD1-CD1 4.12Å; Y300-Y312 AromaticContact CD1-CE1 3.65Å; Y300-Y312 HydrophobicContact CD1-CE1 3.65Å; Y300-Y312 HydrophobicContact CD2-CE1 4.24Å; Y300-Y312 HydrophobicContact CE1-CD1 4.34Å; Y300-Y312 AromaticContact CE1-CE1 3.43Å; Y300-Y312 HydrophobicContact CE1-CE1 3.43Å; Y300-Y312 VanDerWaalsContact CE1-CE1 3.43Å; Y300-Y312 AromaticContact CE1-CZ 3.56Å; Y300-Y312 WeakPolarHBondContact CE1-OH 3.38Å; Y300-Y312 HydrophobicContact CE2-CE1 4.06Å; Y300-Y312 HydrophobicContact CG-CD1 4.32Å; Y300-Y312 HydrophobicContact CG-CE1 4.04Å; Y300-Y312 AromaticContact CZ-CE1 3.65Å; Y300-Y312 AromaticContact CZ-CZ 3.92Å; Y300-Y312 PolarHBondContact OH-OH 3.29Å; L304-Y312 HydrophobicContact CD1-CD1 4.19Å; L304-Y312 HydrophobicContact CD1-CD2 4.07Å; L304-Y312 HydrophobicContact CD1-CG 3.73Å; G308-Y312 WeakPolarHBondContact O-CB 3.43Å; G308-Y312 PolarHBondContact O-N 3.4Å; T309-Y312 PolarHBondContact O-N 2.9Å; Y312-F314 PolarHBondContact O-N 3.07Å; Y312-V315 PolarHBondContact O-N 3.25Å; Y312-I316 HydrophobicContact CD1-CD1 3.84Å; Y312-I316 HydrophobicContact CD2-CD1 4.23Å; Y312-I316 HydrophobicContact CE1-CD1 3.4Å; Y312-I316 HydrophobicContact CE2-CD1 3.83Å; Y312-I316 HydrophobicContact CG-CD1 4.23Å; Y312-I316 WeakPolarHBondContact O-CD1 3.46Å; Y312-I316 WeakPolarHBondContact O-CG1 3.47Å; Y312-I316 PolarHBondContact O-N 3.1Å; Y312-I316 VanDerWaalsContact O-N 3.14Å
313F96.9Very high97.7Very high12 Ų1244 Ų445%0.05323%0.225CC..Hα-helixtrans-62.8-43.1176.8172.7-106.9000112.4F292 W293 L296 T309 L310 V311 V315 I316 R317F292-F313 HydrophobicContact CE1-CD2 4.35Å; F292-F313 AromaticContact CE1-CE2 3.61Å; F292-F313 HydrophobicContact CE1-CE2 3.61Å; F292-F313 AromaticContact CE1-CZ 3.77Å; F292-F313 HydrophobicContact CE1-CZ 3.77Å; F292-F313 HydrophobicContact CE2-CE2 4.46Å; F292-F313 AromaticContact CZ-CD2 3.93Å; F292-F313 HydrophobicContact CZ-CD2 3.93Å; F292-F313 AromaticContact CZ-CE2 3.29Å; F292-F313 HydrophobicContact CZ-CE2 3.29Å; F292-F313 AromaticContact CZ-CZ 3.93Å; F292-F313 HydrophobicContact CZ-CZ 3.93Å; W293-F313 AromaticContact CH2-CD1 3.69Å; W293-F313 HydrophobicContact CH2-CD1 3.69Å; W293-F313 AromaticContact CH2-CE1 3.31Å; W293-F313 HydrophobicContact CH2-CE1 3.31Å; W293-F313 HydrophobicContact CH2-CZ 4.09Å; W293-F313 AromaticContact CZ2-CE1 3.94Å; W293-F313 HydrophobicContact CZ2-CE1 3.94Å; W293-F313 HydrophobicContact CZ2-CZ 4.39Å; W293-F313 AromaticContact CZ3-CD1 3.93Å; W293-F313 HydrophobicContact CZ3-CD1 3.93Å; W293-F313 AromaticContact CZ3-CE1 3.95Å; W293-F313 HydrophobicContact CZ3-CE1 3.95Å; L296-F313 HydrophobicContact CD1-CB 4.38Å; L296-F313 HydrophobicContact CD1-CD2 4.28Å; L296-F313 HydrophobicContact CD2-CB 3.75Å; L296-F313 HydrophobicContact CD2-CD1 4.27Å; L296-F313 HydrophobicContact CD2-CD2 3.77Å; L296-F313 HydrophobicContact CD2-CE2 4.45Å; L296-F313 HydrophobicContact CD2-CG 3.65Å; T309-F313 WeakPolarHBondContact O-CB 3.39Å; T309-F313 PolarHBondContact O-N 3.5Å; L310-F313 PolarHBondContact O-N 2.93Å; V311-F313 PolarHBondContact O-N 3.3Å; F313-V315 VanDerWaalsContact C-N 3.33Å; F313-V315 PolarHBondContact O-N 3.22Å; F313-I316 PolarHBondContact O-N 3.36Å; F313-R317 HydrophobicContact CD1-CG 4.09Å; F313-R317 HydrophobicContact CD2-CG 4.22Å; F313-R317 HydrophobicContact CE1-CG 3.56Å; F313-R317 HydrophobicContact CE2-CG 3.7Å; F313-R317 HydrophobicContact CG-CG 4.41Å; F313-R317 VanDerWaalsContact CZ-CD 3.47Å; F313-R317 HydrophobicContact CZ-CG 3.36Å; F313-R317 VanDerWaalsContact CZ-NE 3.29Å; F313-R317 WeakPolarHBondContact O-CG 3.29Å; F313-R317 PolarHBondContact O-N 3.36Å
314F97.6Very high97.7Very high94 Ų9443.2 Ų43.241%0.41222%0.22SC..Hα-helixtrans-60.8-42.6178.3-171.1-89.9000111.5P266 L310 V311 Y312 I316 R317 V318P266-F314 HydrophobicContact CB-CD2 3.79Å; P266-F314 HydrophobicContact CB-CE2 3.57Å; P266-F314 HydrophobicContact CB-CZ 4.29Å; P266-F314 HydrophobicContact CG-CE2 3.99Å; P266-F314 HydrophobicContact CG-CZ 4.22Å; L310-F314 VanDerWaalsContact O-CB 3.31Å; L310-F314 WeakPolarHBondContact O-CB 3.17Å; L310-F314 PolarHBondContact O-N 3.22Å; V311-F314 PolarHBondContact O-N 3.23Å; V311-F314 VanDerWaalsContact O-N 3.16Å; Y312-F314 PolarHBondContact O-N 3.07Å; F314-I316 PolarHBondContact O-N 2.97Å; F314-R317 WeakPolarHBondContact O-CB 3.36Å; F314-R317 PolarHBondContact O-N 2.66Å; F314-V318 HydrophobicContact CD1-CG2 3.88Å; F314-V318 HydrophobicContact CE1-CG2 3.55Å; F314-V318 HydrophobicContact CZ-CG2 4.13Å; F314-V318 WeakPolarHBondContact O-CG2 3.29Å; F314-V318 PolarHBondContact O-N 3.17Å
315V98.3Very high97.6Very high54 Ų5442 Ų4233%0.32721%0.214SC..Hα-helixtrans-60-45.8175.2176.20000111.3I152 V311 Y312 F313 R317 V318 I319I152-V315 HydrophobicContact CD1-CB 4.23Å; I152-V315 HydrophobicContact CD1-CG1 3.85Å; I152-V315 HydrophobicContact CG2-CG1 4.08Å; V311-V315 HydrophobicContact CG1-CG2 4.42Å; V311-V315 WeakPolarHBondContact O-CG2 3.35Å; V311-V315 PolarHBondContact O-N 2.92Å; Y312-V315 PolarHBondContact O-N 3.25Å; F313-V315 VanDerWaalsContact C-N 3.33Å; F313-V315 PolarHBondContact O-N 3.22Å; V315-R317 VanDerWaalsContact C-N 3.34Å; V315-R317 PolarHBondContact O-N 3.08Å; V315-V318 PolarHBondContact O-N 3.32Å; V315-I319 HydrophobicContact CG1-CD1 3.92Å; V315-I319 WeakPolarHBondContact O-CG1 3.45Å; V315-I319 PolarHBondContact O-N 3.01Å
316I98.2Very high97.5Very high0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-59.8-45.3176-69.4156.9000110.9I152 Y155 Q159 Y312 F313 F314 V318 I319 E320I152-I316 HydrophobicContact CB-CG1 4.38Å; I152-I316 HydrophobicContact CG1-CG1 4.28Å; I152-I316 HydrophobicContact CG2-CG1 4.03Å; Y155-I316 HydrophobicContact CD1-CD1 3.35Å; Y155-I316 HydrophobicContact CE1-CD1 4.17Å; Y155-I316 HydrophobicContact CG-CD1 3.95Å; Q159-I316 HydrophobicContact CG-CG2 4.11Å; Y312-I316 HydrophobicContact CD1-CD1 3.84Å; Y312-I316 HydrophobicContact CD2-CD1 4.23Å; Y312-I316 HydrophobicContact CE1-CD1 3.4Å; Y312-I316 HydrophobicContact CE2-CD1 3.83Å; Y312-I316 HydrophobicContact CG-CD1 4.23Å; Y312-I316 WeakPolarHBondContact O-CD1 3.46Å; Y312-I316 WeakPolarHBondContact O-CG1 3.47Å; Y312-I316 PolarHBondContact O-N 3.1Å; Y312-I316 VanDerWaalsContact O-N 3.14Å; F313-I316 PolarHBondContact O-N 3.36Å; F314-I316 PolarHBondContact O-N 2.97Å; I316-V318 VanDerWaalsContact C-N 3.31Å; I316-V318 PolarHBondContact O-N 3.15Å; I316-I319 PolarHBondContact O-N 3.37Å; I316-E320 VanDerWaalsContact O-CB 3.31Å; I316-E320 WeakPolarHBondContact O-CB 3.33Å; I316-E320 PolarHBondContact O-N 3.49Å
317R97.6Very high97.5Very high8 Ų838.4 Ų38.43%0.0319%0.188CC..Hα-helixtrans-59.9-41.6177.2-72.8-61.4119.2-177.10.5111.6P266 F313 F314 V315 E320 S321P266-R317 HydrophobicContact CB-CB 3.71Å; P266-R317 HydrophobicContact CB-CG 4.33Å; P266-R317 HydrophobicContact CG-CB 4.17Å; F313-R317 HydrophobicContact CD1-CG 4.09Å; F313-R317 HydrophobicContact CD2-CG 4.22Å; F313-R317 HydrophobicContact CE1-CG 3.56Å; F313-R317 HydrophobicContact CE2-CG 3.7Å; F313-R317 HydrophobicContact CG-CG 4.41Å; F313-R317 VanDerWaalsContact CZ-CD 3.47Å; F313-R317 HydrophobicContact CZ-CG 3.36Å; F313-R317 VanDerWaalsContact CZ-NE 3.29Å; F313-R317 WeakPolarHBondContact O-CG 3.29Å; F313-R317 PolarHBondContact O-N 3.36Å; F314-R317 WeakPolarHBondContact O-CB 3.36Å; F314-R317 PolarHBondContact O-N 2.66Å; V315-R317 VanDerWaalsContact C-N 3.34Å; V315-R317 PolarHBondContact O-N 3.08Å; R317-E320 IonicContact CZ-OE2 3.87Å; R317-E320 IonicContact NE-OE2 2.67Å; R317-E320 PolarHBondContact NE-OE2 2.82Å; R317-E320 IonicContact NH1-OE1 3.4Å; R317-E320 IonicContact NH1-OE2 2.91Å; R317-E320 PolarHBondContact NH1-OE2 3.21Å; R317-E320 IonicContact NH2-OE2 2.71Å; R317-E320 PolarHBondContact NH2-OE2 3.28Å; R317-S321 WeakPolarHBondContact O-CB 3.47Å; R317-S321 PolarHBondContact O-N 2.9Å
318V98.2Very high97.3Very high31 Ų3130.1 Ų30.119%0.18816%0.16CC..Hα-helixtrans-62.9-47.4176.9170.30000110.8P262 P266 F314 V315 I316 S321 H322P262-V318 HydrophobicContact CB-CG1 4.31Å; P266-V318 HydrophobicContact CG-CG2 4.21Å; F314-V318 HydrophobicContact CD1-CG2 3.88Å; F314-V318 HydrophobicContact CE1-CG2 3.55Å; F314-V318 HydrophobicContact CZ-CG2 4.13Å; F314-V318 WeakPolarHBondContact O-CG2 3.29Å; F314-V318 PolarHBondContact O-N 3.17Å; V315-V318 PolarHBondContact O-N 3.32Å; I316-V318 VanDerWaalsContact C-N 3.31Å; I316-V318 PolarHBondContact O-N 3.15Å; V318-S321 WeakPolarHBondContact O-CB 3.37Å; V318-S321 PolarHBondContact O-N 3.09Å; V318-H322 PolarHBondContact O-N 2.62Å; V318-H322 PolarHBondContact O-ND1 3.22Å
319I98Very high97.2Very high69 Ų6930.3 Ų30.335%0.35415%0.153SC..Hα-helixtrans-60.8-48.5178.8-67.8166.4000110.7I152 V315 I316 S321 H322 W323I152-I319 HydrophobicContact CG2-CD1 3.36Å; V315-I319 HydrophobicContact CG1-CD1 3.92Å; V315-I319 WeakPolarHBondContact O-CG1 3.45Å; V315-I319 PolarHBondContact O-N 3.01Å; I316-I319 PolarHBondContact O-N 3.37Å; I319-S321 VanDerWaalsContact C-N 3.3Å; I319-S321 PolarHBondContact O-N 3.41Å; I319-H322 PolarHBondContact O-N 3.38Å; I319-W323 PolarHBondContact O-N 2.98Å
320E96.7Very high97Very high2 Ų230.4 Ų30.41%0.00915%0.153CC..Hα-helixtrans-59.4-42.4177.3-173.5-162.6164.200111.7Q159 S163 K193 F265 I316 R317 H322 W323 F324Q159-E320 HydrophobicContact CB-CG 4.22Å; S163-E320 PolarHBondContact OG-OE1 3.41Å; S163-E320 VanDerWaalsContact OG-OE1 3.07Å; K193-E320 WeakPolarHBondContact CE-OE1 3.28Å; K193-E320 IonicContact NZ-OE1 3.17Å; K193-E320 PolarHBondContact NZ-OE1 2.95Å; K193-E320 IonicContact NZ-OE2 3.89Å; F265-E320 HydrophobicContact CD2-CB 4.32Å; F265-E320 VanDerWaalsContact CD2-CD 3.49Å; F265-E320 HydrophobicContact CD2-CG 3.83Å; F265-E320 WeakPolarHBondContact CD2-OE1 3.23Å; F265-E320 HydrophobicContact CE2-CG 3.8Å; F265-E320 WeakPolarHBondContact CE2-OE1 3.34Å; I316-E320 VanDerWaalsContact O-CB 3.31Å; I316-E320 WeakPolarHBondContact O-CB 3.33Å; I316-E320 PolarHBondContact O-N 3.49Å; R317-E320 IonicContact CZ-OE2 3.87Å; R317-E320 IonicContact NE-OE2 2.67Å; R317-E320 PolarHBondContact NE-OE2 2.82Å; R317-E320 IonicContact NH1-OE1 3.4Å; R317-E320 IonicContact NH1-OE2 2.91Å; R317-E320 PolarHBondContact NH1-OE2 3.21Å; R317-E320 IonicContact NH2-OE2 2.71Å; R317-E320 PolarHBondContact NH2-OE2 3.28Å; E320-H322 VanDerWaalsContact C-N 3.31Å; E320-H322 PolarHBondContact O-N 3.06Å; E320-W323 WeakPolarHBondContact O-CB 3.23Å; E320-W323 PolarHBondContact O-N 3.29Å; E320-F324 WeakPolarHBondContact O-CB 3.12Å; E320-F324 PolarHBondContact O-N 3.07Å
321S97.6Very high97Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-62.1-38.9178.7-1570000112.1P261 L264 F265 R317 V318 I319 T325P261-S321 WeakPolarHBondContact O-CB 3.21Å; P261-S321 PolarHBondContact O-OG 3.06Å; L264-S321 WeakPolarHBondContact CB-OG 3.22Å; F265-S321 PolarHBondContact N-OG 3.32Å; R317-S321 WeakPolarHBondContact O-CB 3.47Å; R317-S321 PolarHBondContact O-N 2.9Å; V318-S321 WeakPolarHBondContact O-CB 3.37Å; V318-S321 PolarHBondContact O-N 3.09Å; I319-S321 VanDerWaalsContact C-N 3.3Å; I319-S321 PolarHBondContact O-N 3.41Å; S321-T325 VanDerWaalsContact O-CB 3.25Å; S321-T325 WeakPolarHBondContact O-CB 3.28Å; S321-T325 PolarHBondContact O-N 3.4Å; S321-T325 PolarHBondContact O-OG1 3.44Å
322H97Very high96.9Very high55 Ų5524.1 Ų24.126%0.25512%0.116SC..Hα-helixtrans-65.2-47.7172.4-74.378.7000111.4V318 I319 E320 F324 T325 W326V318-H322 PolarHBondContact O-N 2.62Å; V318-H322 PolarHBondContact O-ND1 3.22Å; I319-H322 PolarHBondContact O-N 3.38Å; E320-H322 VanDerWaalsContact C-N 3.31Å; E320-H322 PolarHBondContact O-N 3.06Å; H322-F324 PolarHBondContact O-N 3.27Å; H322-T325 PolarHBondContact O-N 3.26Å; H322-W326 HydrophobicContact CB-CE3 4.34Å; H322-W326 HydrophobicContact CB-CZ3 3.96Å; H322-W326 AromaticContact CD2-CH2 3.43Å; H322-W326 VanDerWaalsContact CD2-CH2 3.43Å; H322-W326 WeakPolarHBondContact CD2-CH2 3.48Å; H322-W326 AromaticContact CD2-CZ3 3.48Å; H322-W326 VanDerWaalsContact CD2-CZ3 3.48Å; H322-W326 WeakPolarHBondContact CD2-CZ3 3.42Å; H322-W326 AromaticContact CG-CZ3 3.94Å; H322-W326 PolarHBondContact O-N 3.49Å
323W97.5Very high96.6Very high29 Ų2924.7 Ų24.711%0.1112%0.12CC..Hα-helixtrans-55.6-53.2177-172.8-17000110.7I157 W164 I319 E320 T325 W326 V327 W364 F365I157-W323 HydrophobicContact CB-CZ3 4.36Å; I157-W323 HydrophobicContact CG1-CH2 4.46Å; I157-W323 HydrophobicContact CG1-CZ3 4.05Å; I157-W323 HydrophobicContact CG2-CH2 4.37Å; W164-W323 AromaticContact CZ2-NE1 3.91Å; I319-W323 PolarHBondContact O-N 2.98Å; E320-W323 WeakPolarHBondContact O-CB 3.23Å; E320-W323 PolarHBondContact O-N 3.29Å; W323-T325 PolarHBondContact O-N 3.4Å; W323-W326 PolarHBondContact O-N 3.02Å; W323-V327 WeakPolarHBondContact O-CG2 3.38Å; W323-V327 PolarHBondContact O-N 3.37Å; W323-V327 VanDerWaalsContact O-N 3.16Å; W323-W364 HydrophobicContact CH2-CH2 4.03Å; W323-W364 HydrophobicContact CH2-CZ2 4.41Å; W323-F365 AromaticContact CD1-CE1 3.92Å; W323-F365 AromaticContact CD1-CZ 3.68Å; W323-F365 HydrophobicContact CD2-CE2 4.16Å; W323-F365 HydrophobicContact CD2-CZ 4.4Å; W323-F365 AromaticContact CE2-CD2 3.81Å; W323-F365 AromaticContact CE2-CE2 3.63Å; W323-F365 HydrophobicContact CG-CE2 4.47Å; W323-F365 HydrophobicContact CG-CZ 4.24Å; W323-F365 HydrophobicContact CH2-CD2 4.48Å; W323-F365 AromaticContact CZ2-CD2 3.68Å; W323-F365 HydrophobicContact CZ2-CD2 3.68Å; W323-F365 AromaticContact CZ2-CE2 3.89Å; W323-F365 HydrophobicContact CZ2-CE2 3.89Å; W323-F365 HydrophobicContact CZ2-CG 4.32Å; W323-F365 WeakPolarHBondContact CZ2-O 3.45Å; W323-F365 AromaticContact NE1-CD1 3.92Å; W323-F365 AromaticContact NE1-CD2 3.82Å; W323-F365 AromaticContact NE1-CE1 3.69Å; W323-F365 AromaticContact NE1-CE2 3.61Å; W323-F365 AromaticContact NE1-CG 3.98Å; W323-F365 AromaticContact NE1-CZ 3.54Å; W323-F365 PolarHBondContact NE1-O 2.79Å
324F96.9Very high96.3Very high28 Ų2825.8 Ų25.812%0.12313%0.131CC..Hα-helixtrans-58.4-46.2179.7175.2-94.4000112.7W164 W200 L264 F265 F269 E320 H322 W326 V327 S328W164-F324 AromaticContact CH2-CD2 4Å; W164-F324 HydrophobicContact CH2-CD2 4Å; W164-F324 AromaticContact CZ3-CD2 3.93Å; W164-F324 HydrophobicContact CZ3-CD2 3.93Å; W164-F324 HydrophobicContact CZ3-CE2 4.3Å; W200-F324 AromaticContact CH2-CE2 3.8Å; W200-F324 HydrophobicContact CH2-CE2 3.8Å; W200-F324 AromaticContact CH2-CZ 3.79Å; W200-F324 HydrophobicContact CH2-CZ 3.79Å; W200-F324 HydrophobicContact CZ3-CZ 4.44Å; L264-F324 HydrophobicContact CD2-CD1 3.98Å; L264-F324 HydrophobicContact CD2-CE1 4.15Å; F265-F324 HydrophobicContact CD1-CD1 4.44Å; F265-F324 HydrophobicContact CE1-CB 3.95Å; F265-F324 AromaticContact CE1-CD1 3.28Å; F265-F324 HydrophobicContact CE1-CD1 3.28Å; F265-F324 HydrophobicContact CE1-CD2 4.3Å; F265-F324 AromaticContact CE1-CE1 3.81Å; F265-F324 HydrophobicContact CE1-CE1 3.81Å; F265-F324 AromaticContact CE1-CG 3.57Å; F265-F324 HydrophobicContact CE1-CG 3.57Å; F265-F324 HydrophobicContact CE1-CZ 4.49Å; F265-F324 HydrophobicContact CE2-CB 3.8Å; F265-F324 HydrophobicContact CE2-CG 4.08Å; F265-F324 HydrophobicContact CZ-CB 3.34Å; F265-F324 AromaticContact CZ-CD1 3.42Å; F265-F324 HydrophobicContact CZ-CD1 3.42Å; F265-F324 VanDerWaalsContact CZ-CD1 3.42Å; F265-F324 AromaticContact CZ-CD2 3.61Å; F265-F324 HydrophobicContact CZ-CD2 3.61Å; F265-F324 HydrophobicContact CZ-CE1 4.1Å; F265-F324 HydrophobicContact CZ-CE2 4.25Å; F265-F324 AromaticContact CZ-CG 3.14Å; F265-F324 HydrophobicContact CZ-CG 3.14Å; F265-F324 HydrophobicContact CZ-CZ 4.47Å; F269-F324 HydrophobicContact CE2-CE1 4.37Å; F269-F324 HydrophobicContact CZ-CE1 4.43Å; E320-F324 WeakPolarHBondContact O-CB 3.12Å; E320-F324 PolarHBondContact O-N 3.07Å; H322-F324 PolarHBondContact O-N 3.27Å; F324-W326 PolarHBondContact O-N 2.98Å; F324-V327 PolarHBondContact O-N 3.03Å; F324-S328 WeakPolarHBondContact O-CB 3.49Å; F324-S328 PolarHBondContact O-N 3.11Å; F324-S328 PolarHBondContact O-OG 3.49Å
325T95.9Very high96.2Very high7 Ų721.8 Ų21.84%0.04311%0.113CC..Hα-helixtrans-64-41.9-176.3-58.20000110.9F256 P261 L264 S321 H322 W323 V327 S328 Q329F256-T325 HydrophobicContact CZ-CG2 3.93Å; P261-T325 HydrophobicContact CB-CG2 4.35Å; P261-T325 HydrophobicContact CG-CG2 4Å; L264-T325 WeakPolarHBondContact CD2-OG1 3.45Å; S321-T325 VanDerWaalsContact O-CB 3.25Å; S321-T325 WeakPolarHBondContact O-CB 3.28Å; S321-T325 PolarHBondContact O-N 3.4Å; S321-T325 PolarHBondContact O-OG1 3.44Å; H322-T325 PolarHBondContact O-N 3.26Å; W323-T325 PolarHBondContact O-N 3.4Å; T325-V327 PolarHBondContact O-N 3.08Å; T325-S328 PolarHBondContact O-OG 3.49Å; T325-Q329 HydrophobicContact CG2-CG 3.78Å; T325-Q329 WeakPolarHBondContact O-CB 3.2Å; T325-Q329 WeakPolarHBondContact O-CG 3.33Å; T325-Q329 PolarHBondContact O-N 3.18Å
326W95.8Very high96Very high51 Ų5122.5 Ų22.519%0.19312%0.12CC..Hα-helixtrans-68.4-41.2-178.8-90.3-120.7000111F256 F257 P261 H322 W323 F324 S330 F413F256-W326 HydrophobicContact CE1-CH2 4.3Å; F257-W326 AromaticContact CD1-CH2 3.75Å; F257-W326 HydrophobicContact CD1-CH2 3.75Å; F257-W326 AromaticContact CD1-CZ2 3.55Å; F257-W326 HydrophobicContact CD1-CZ2 3.55Å; F257-W326 HydrophobicContact CE1-CH2 4.18Å; F257-W326 AromaticContact CE1-CZ2 3.57Å; F257-W326 HydrophobicContact CE1-CZ2 3.57Å; P261-W326 HydrophobicContact CB-CE3 4.46Å; P261-W326 HydrophobicContact CB-CH2 4.2Å; P261-W326 HydrophobicContact CB-CZ3 3.49Å; P261-W326 VanDerWaalsContact CB-CZ3 3.49Å; P261-W326 HydrophobicContact CG-CE3 4.17Å; P261-W326 HydrophobicContact CG-CH2 3.53Å; P261-W326 HydrophobicContact CG-CZ3 3.11Å; H322-W326 HydrophobicContact CB-CE3 4.34Å; H322-W326 HydrophobicContact CB-CZ3 3.96Å; H322-W326 AromaticContact CD2-CH2 3.43Å; H322-W326 VanDerWaalsContact CD2-CH2 3.43Å; H322-W326 WeakPolarHBondContact CD2-CH2 3.48Å; H322-W326 AromaticContact CD2-CZ3 3.48Å; H322-W326 VanDerWaalsContact CD2-CZ3 3.48Å; H322-W326 WeakPolarHBondContact CD2-CZ3 3.42Å; H322-W326 AromaticContact CG-CZ3 3.94Å; H322-W326 PolarHBondContact O-N 3.49Å; W323-W326 PolarHBondContact O-N 3.02Å; F324-W326 PolarHBondContact O-N 2.98Å; W326-S330 WeakPolarHBondContact O-CB 3.38Å; W326-S330 PolarHBondContact O-N 3.33Å; W326-S330 PolarHBondContact O-OG 3.23Å; W326-F413 HydrophobicContact CB-CD1 4.08Å; W326-F413 HydrophobicContact CB-CE1 3.8Å; W326-F413 HydrophobicContact CB-CE2 4.35Å; W326-F413 HydrophobicContact CB-CZ 3.94Å; W326-F413 AromaticContact CD1-CD2 3.76Å; W326-F413 AromaticContact CD1-CG 3.65Å; W326-F413 HydrophobicContact CG-CD1 4.44Å; W326-F413 HydrophobicContact CG-CG 4.47Å; W326-F413 VanDerWaalsContact O-CE1 3.26Å; W326-F413 WeakPolarHBondContact O-CE1 3.46Å
327V97.1Very high95.9Very high0 Ų022.9 Ų22.90%012%0.122CC..Hα-helixtrans-63.7-61.2176.4173.70000110.2W164 W323 F324 T325 Q329 S330 N331 F365 T366 L369W164-V327 HydrophobicContact CH2-CB 3.87Å; W164-V327 HydrophobicContact CH2-CG1 3.71Å; W164-V327 HydrophobicContact CH2-CG2 4.32Å; W164-V327 HydrophobicContact CZ2-CB 4.15Å; W164-V327 HydrophobicContact CZ2-CG1 4.05Å; W164-V327 HydrophobicContact CZ2-CG2 4.09Å; W164-V327 HydrophobicContact CZ3-CG1 4.44Å; W323-V327 WeakPolarHBondContact O-CG2 3.38Å; W323-V327 PolarHBondContact O-N 3.37Å; W323-V327 VanDerWaalsContact O-N 3.16Å; F324-V327 PolarHBondContact O-N 3.03Å; T325-V327 PolarHBondContact O-N 3.08Å; V327-Q329 PolarHBondContact O-N 3.28Å; V327-S330 PolarHBondContact O-N 3.26Å; V327-S330 PolarHBondContact O-OG 3.49Å; V327-N331 PolarHBondContact O-OD1 3.42Å; V327-F365 HydrophobicContact CG2-CD1 4.17Å; V327-F365 HydrophobicContact CG2-CE1 3.87Å; V327-T366 HydrophobicContact CG1-CG2 4.11Å; V327-T366 HydrophobicContact CG2-CG2 4.09Å; V327-L369 HydrophobicContact CG1-CB 4.18Å; V327-L369 HydrophobicContact CG1-CD1 4.16Å
328S94.4Very high95.7Very high16 Ų1624.3 Ų24.311%0.11213%0.13CC..Hα-helixtrans-58.7-45-175.357.50000113.1F324 T325 S330 H332F324-S328 WeakPolarHBondContact O-CB 3.49Å; F324-S328 PolarHBondContact O-N 3.11Å; F324-S328 PolarHBondContact O-OG 3.49Å; T325-S328 PolarHBondContact O-OG 3.49Å; S328-S330 PolarHBondContact O-N 3.24Å; S328-H332 PolarHBondContact O-CD2 2.94Å
329Q94.6Very high95.6Very high33 Ų3327.7 Ų27.715%0.15414%0.14CC..Hα-helixtrans-76.6-25.3-175-57.9-48.6-6200112.7T325 V327 N331 H332 L333 I416T325-Q329 HydrophobicContact CG2-CG 3.78Å; T325-Q329 WeakPolarHBondContact O-CB 3.2Å; T325-Q329 WeakPolarHBondContact O-CG 3.33Å; T325-Q329 PolarHBondContact O-N 3.18Å; V327-Q329 PolarHBondContact O-N 3.28Å; Q329-N331 PolarHBondContact O-N 3.01Å; Q329-H332 PolarHBondContact O-N 3.08Å; Q329-L333 HydrophobicContact CB-CB 4.14Å; Q329-L333 HydrophobicContact CB-CD2 4.47Å; Q329-L333 WeakPolarHBondContact O-CB 3.36Å; Q329-L333 PolarHBondContact O-N 3.41Å; Q329-I416 HydrophobicContact CB-CD1 3.91Å; Q329-I416 HydrophobicContact CB-CG1 4.19Å
330S95.5Very high95.5Very high2 Ų226.3 Ų26.31%0.01413%0.134CC..Hα-helixtrans-62.7-27179.871.20000113.6W326 V327 S328W326-S330 WeakPolarHBondContact O-CB 3.38Å; W326-S330 PolarHBondContact O-N 3.33Å; W326-S330 PolarHBondContact O-OG 3.23Å; V327-S330 PolarHBondContact O-N 3.26Å; V327-S330 PolarHBondContact O-OG 3.49Å; S328-S330 PolarHBondContact O-N 3.24Å
331N96.2Very high95.4Very high0 Ų032.2 Ų32.20%016%0.156CC..Hα-helixtrans-88.9-20.7-179.6-59.9100000113.7V327 Q329 M335 T353 C354 L369 Q372V327-N331 PolarHBondContact O-OD1 3.42Å; Q329-N331 PolarHBondContact O-N 3.01Å; N331-M335 WeakPolarHBondContact O-CG 3.22Å; N331-T353 CarbonylContact O-C 3.34Å; N331-C354 WeakPolarHBondContact CB-O 3.1Å; N331-C354 PolarHBondContact ND2-O 3Å; N331-C354 PolarHBondContact O-N 3.48Å; N331-C354 PolarHBondContact O-SG 2.94Å; N331-L369 PolarHBondContact ND2-O 2.82Å; N331-L369 VanDerWaalsContact ND2-O 3.14Å; N331-L369 PolarHBondContact OD1-O 3.35Å; N331-Q372 HydrophobicContact CB-CB 3.75Å; N331-Q372 HydrophobicContact CB-CG 3.66Å
332H96Very high95.2Very high9 Ų933.8 Ų33.84%0.04217%0.169CC..Hα-helixtrans-122.6-38.4-168.6-69.9-74.4000114.7H207 N212 S328 Q329 A334 M335 G352 Q372 H376H207-H332 AromaticContact CE1-CD2 3.98Å; H207-H332 AromaticContact CE1-CE1 3.4Å; H207-H332 PolarHBondContact CE1-CE1 3.27Å; H207-H332 VanDerWaalsContact CE1-CE1 3.4Å; H207-H332 AromaticContact CE1-ND1 3.74Å; H207-H332 AromaticContact CE1-NE2 3.61Å; H207-H332 AromaticContact NE2-CD2 4Å; H207-H332 AromaticContact NE2-CE1 3.28Å; H207-H332 PolarHBondContact NE2-CE1 2.93Å; H207-H332 VanDerWaalsContact NE2-CE1 3.28Å; H207-H332 AromaticContact NE2-NE2 3.25Å; H207-H332 PolarHBondContact NE2-NE2 3.34Å; N212-H332 PolarHBondContact ND2-O 2.62Å; S328-H332 PolarHBondContact O-CD2 2.94Å; Q329-H332 PolarHBondContact O-N 3.08Å; H332-A334 VanDerWaalsContact C-N 3.3Å; H332-A334 PolarHBondContact O-N 3.29Å; H332-M335 WeakPolarHBondContact O-CB 3.33Å; H332-M335 PolarHBondContact O-N 2.77Å; H332-G352 PolarHBondContact ND1-O 3.26Å; H332-Q372 PolarHBondContact NE2-NE2 3.37Å; H332-H376 AromaticContact CE1-CE1 3.62Å; H332-H376 AromaticContact CE1-NE2 3.34Å; H332-H376 PolarHBondContact CE1-NE2 3.28Å; H332-H376 VanDerWaalsContact CE1-NE2 3.34Å; H332-H376 AromaticContact NE2-NE2 3.54Å
333L92.7Very high95Very high19 Ų1932.8 Ų32.810%0.09916%0.164CC..THydrogen-bonded Turntrans-67.8-32.4-166.7-164.171.6000112.8V228 Q329 M335 I416 I419 L420V228-L333 HydrophobicContact CB-CD1 4.39Å; V228-L333 HydrophobicContact CG1-CD1 3.94Å; V228-L333 HydrophobicContact CG1-CG 4.32Å; V228-L333 HydrophobicContact CG2-CD1 3.99Å; Q329-L333 HydrophobicContact CB-CB 4.14Å; Q329-L333 HydrophobicContact CB-CD2 4.47Å; Q329-L333 WeakPolarHBondContact O-CB 3.36Å; Q329-L333 PolarHBondContact O-N 3.41Å; L333-M335 PolarHBondContact O-N 3.44Å; L333-I416 HydrophobicContact CD2-CB 4.29Å; L333-I416 HydrophobicContact CD2-CG1 4.43Å; L333-I416 HydrophobicContact CD2-CG2 3.78Å; L333-I419 HydrophobicContact CB-CG2 4.48Å; L333-I419 HydrophobicContact CD2-CG2 3.69Å; L333-I419 HydrophobicContact CG-CG2 3.77Å; L333-L420 HydrophobicContact CD2-CG 4.38Å
334A91.4Very high94.9Very high34 Ų3432.3 Ų32.328%0.28117%0.165SC..THydrogen-bonded Turntrans-81.6-1.8175.800000113.4H332 D415H332-A334 VanDerWaalsContact C-N 3.3Å; H332-A334 PolarHBondContact O-N 3.29Å; A334-D415 HydrophobicContact CB-CB 4.08Å
335M95Very high94.9Very high10 Ų1031.8 Ų31.85%0.04916%0.162CC..SBendtrans-89.1154.4178.4-60.3-50.3-54.800110.6N212 N331 H332 L333 V337 N351 C354 R405N212-M335 WeakPolarHBondContact ND2-CB 3.34Å; N212-M335 PolarHBondContact ND2-O 2.92Å; N331-M335 WeakPolarHBondContact O-CG 3.22Å; H332-M335 WeakPolarHBondContact O-CB 3.33Å; H332-M335 PolarHBondContact O-N 2.77Å; L333-M335 PolarHBondContact O-N 3.44Å; M335-V337 PolarHBondContact O-N 3.33Å; M335-N351 WeakPolarHBondContact CB-O 3.33Å; M335-N351 WeakPolarHBondContact CE-O 3.43Å; M335-C354 HydrophobicContact CG-CB 4.46Å; M335-C354 HydrophobicContact SD-CB 3.69Å; M335-R405 VanDerWaalsContact CE-NH1 3.32Å
336P94.5Very high94.9Very high70 Ų7031.6 Ų31.646%0.45516%0.161SC..  trans-53.2129.1178.3-27.935.7000112.4N212 N351N212-P336 VanDerWaalsContact CB-O 3.29Å; N212-P336 WeakPolarHBondContact CB-O 3.45Å; N212-P336 PolarHBondContact ND2-O 3.03Å; P336-N351 WeakPolarHBondContact CD-O 3.31Å
337V94.6Very high95Very high8 Ų833.6 Ų33.65%0.04817%0.168CC..  trans-111115.6171.4176.40000107.7N212 I214 T220 V228 L232 M335N212-V337 HydrophobicContact CB-CG2 4.11Å; N212-V337 WeakPolarHBondContact O-CA 3.49Å; I214-V337 HydrophobicContact CD1-CG1 4.37Å; I214-V337 HydrophobicContact CG1-CG1 3.83Å; T220-V337 HydrophobicContact CG2-CG1 3.89Å; V228-V337 HydrophobicContact CG2-CG2 4.21Å; L232-V337 HydrophobicContact CD2-CG1 4.43Å; M335-V337 PolarHBondContact O-N 3.33Å
338D94.8Very high95Very high38 Ų3834.2 Ų34.220%0.20317%0.172CC..BIsolated β-bridgetrans-150.6167.7-171.9-155.8-9.5000112N212 V213 I214 N231 R341N212-D338 PolarHBondContact O-N 3.22Å; V213-D338 WeakPolarHBondContact CA-O 3.45Å; I214-D338 PolarHBondContact N-O 3.04Å; N231-D338 VanDerWaalsContact ND2-CG 3.31Å; N231-D338 PolarHBondContact ND2-OD1 3.08Å; D338-R341 IonicContact OD2-CZ 3.82Å; D338-R341 IonicContact OD2-NH1 3.76Å; D338-R341 PolarHBondContact OD2-NH1 2.98Å
339Y95.5Very high95.2Very high101 Ų10133.5 Ų33.540%0.39617%0.167SC..  trans-63.6157.7168.7-64.2-76.4000111.7I214 N231 R235 R341I214-Y339 HydrophobicContact CB-CD1 4.05Å; I214-Y339 HydrophobicContact CB-CE1 4.28Å; I214-Y339 HydrophobicContact CD1-CD2 4.32Å; I214-Y339 HydrophobicContact CD1-CE1 4.49Å; I214-Y339 HydrophobicContact CD1-CE2 4.29Å; I214-Y339 HydrophobicContact CD1-CG 4.45Å; I214-Y339 HydrophobicContact CG2-CD1 4.02Å; I214-Y339 HydrophobicContact CG2-CE1 3.76Å; N231-Y339 HydrophobicContact CB-CD2 4.1Å; N231-Y339 HydrophobicContact CB-CE2 3.9Å; R235-Y339 WeakPolarHBondContact CD-OH 3.2Å; Y339-R341 PolarHBondContact O-N 2.96Å; Y339-R341 VanDerWaalsContact O-N 3.13Å
340D96Very high95.4Very high41 Ų4132.1 Ų32.122%0.21916%0.16CC..  trans-68.9113.2-177.9-162.9-6.6000111.3Q51 K210 V213 K216 A342Q51-D340 PolarHBondContact NE2-OD2 3.27Å; Q51-D340 PolarHBondContact OE1-OD2 3.25Å; K210-D340 WeakPolarHBondContact CE-OD2 3.41Å; K210-D340 IonicContact NZ-OD1 2.91Å; K210-D340 PolarHBondContact NZ-OD1 3.18Å; K210-D340 IonicContact NZ-OD2 3.67Å; K210-D340 PolarHBondContact NZ-OD2 2.94Å; V213-D340 HydrophobicContact CG1-CB 3.58Å; K216-D340 HydrophobicContact CD-CB 4.35Å; K216-D340 WeakPolarHBondContact CE-OD2 3.25Å; K216-D340 IonicContact NZ-OD2 3.75Å; K216-D340 PolarHBondContact NZ-OD2 3.13Å; D340-A342 VanDerWaalsContact C-N 3.32Å; D340-A342 PolarHBondContact OD1-N 3.25Å
341R94.1Very high95.4Very high125 Ų12533.2 Ų33.247%0.47217%0.166SC..  trans-89.55.2175.4-63.8-174.3-61.7-100.9-3.6113.4D338 Y339 E343D338-R341 IonicContact OD2-CZ 3.82Å; D338-R341 IonicContact OD2-NH1 3.76Å; D338-R341 PolarHBondContact OD2-NH1 2.98Å; Y339-R341 PolarHBondContact O-N 2.96Å; Y339-R341 VanDerWaalsContact O-N 3.13Å; R341-E343 HydrophobicContact CB-CG 4.05Å; R341-E343 IonicContact CZ-OE2 3.82Å; R341-E343 IonicContact NE-OE2 3.68Å; R341-E343 PolarHBondContact NE-OE2 3.05Å; R341-E343 IonicContact NH2-OE2 3.69Å; R341-E343 PolarHBondContact NH2-OE2 3.4Å; R341-E343 PolarHBondContact O-N 3.39Å
342A92.7Very high95.5Very high34 Ų3433.3 Ų33.328%0.28117%0.167SC..  trans52.437-17500000112.9Q51 D340Q51-A342 HydrophobicContact CG-CB 3.96Å; D340-A342 VanDerWaalsContact C-N 3.32Å; D340-A342 PolarHBondContact OD1-N 3.25Å
343E93.2Very high95.6Very high33 Ų3332.9 Ų32.915%0.15417%0.165CC..  trans-66.4153.1176.8-69-174.697.200111.3R341 W345 R347 N351R341-E343 HydrophobicContact CB-CG 4.05Å; R341-E343 IonicContact CZ-OE2 3.82Å; R341-E343 IonicContact NE-OE2 3.68Å; R341-E343 PolarHBondContact NE-OE2 3.05Å; R341-E343 IonicContact NH2-OE2 3.69Å; R341-E343 PolarHBondContact NH2-OE2 3.4Å; R341-E343 PolarHBondContact O-N 3.39Å; E343-W345 PolarHBondContact O-N 3.38Å; E343-R347 WeakPolarHBondContact OE1-CD 3.45Å; E343-R347 IonicContact OE1-CZ 3.43Å; E343-R347 VanDerWaalsContact OE1-CZ 3.28Å; E343-R347 IonicContact OE1-NE 3.35Å; E343-R347 PolarHBondContact OE1-NE 2.91Å; E343-R347 IonicContact OE1-NH1 2.76Å; E343-R347 IonicContact OE1-NH2 2.72Å; E343-N351 PolarHBondContact OE2-ND2 3.38Å; E343-N351 VanDerWaalsContact OE2-ND2 3.07Å
344P95.3Very high95.8Very high19 Ų1932 Ų3212%0.12316%0.16CC..  trans-50.3135.9172-27.535.1000111.6K92 I93 Y96 F346 R347 L348K92-P344 HydrophobicContact CB-CG 4.39Å; I93-P344 HydrophobicContact CG1-CB 4.08Å; I93-P344 HydrophobicContact CG1-CG 3.97Å; Y96-P344 HydrophobicContact CD2-CB 3.68Å; Y96-P344 HydrophobicContact CD2-CG 4.34Å; Y96-P344 HydrophobicContact CE2-CB 3.9Å; Y96-P344 HydrophobicContact CE2-CG 4.16Å; P344-F346 VanDerWaalsContact C-N 3.26Å; P344-F346 PolarHBondContact O-N 3.18Å; P344-F346 VanDerWaalsContact O-N 3.11Å; P344-R347 PolarHBondContact O-N 2.88Å; P344-L348 PolarHBondContact O-N 3.42Å
345W97Very high96.1Very high17 Ų1730.5 Ų30.56%0.06415%0.147CC..Hα-helixtrans-51.2-42.4-170.4179.685.6000113.5A59 L100 E343 R347 L348 Q349 L377A59-W345 HydrophobicContact CB-CH2 3.67Å; A59-W345 HydrophobicContact CB-CZ2 3.62Å; L100-W345 HydrophobicContact CD1-CZ3 4.32Å; E343-W345 PolarHBondContact O-N 3.38Å; W345-R347 PolarHBondContact O-N 2.65Å; W345-L348 WeakPolarHBondContact O-CB 3.32Å; W345-L348 PolarHBondContact O-N 2.82Å; W345-Q349 HydrophobicContact CD2-CG 3.98Å; W345-Q349 HydrophobicContact CE3-CG 4.35Å; W345-Q349 HydrophobicContact CH2-CG 4.2Å; W345-Q349 HydrophobicContact CZ2-CG 3.77Å; W345-Q349 HydrophobicContact CZ3-CG 4.46Å; W345-Q349 VanDerWaalsContact NE1-NE2 3.11Å; W345-Q349 WeakPolarHBondContact O-CG 3.3Å; W345-Q349 PolarHBondContact O-N 3.19Å; W345-L377 HydrophobicContact CE3-CD2 4.45Å; W345-L377 HydrophobicContact CH2-CD2 4.07Å; W345-L377 HydrophobicContact CZ3-CD2 3.74Å
346F97.3Very high96.3Very high4 Ų430 Ų302%0.01815%0.145CC..Hα-helixtrans-55.4-49.7176.6178.2-126.9000112.4Y96 L100 P344 L348 Q349 L350 L377 L396 L402Y96-F346 HydrophobicContact CD1-CD1 4.09Å; Y96-F346 HydrophobicContact CD2-CB 4.08Å; Y96-F346 HydrophobicContact CD2-CD1 4.06Å; Y96-F346 HydrophobicContact CE1-CD1 4.5Å; Y96-F346 HydrophobicContact CE2-CD1 4.47Å; Y96-F346 HydrophobicContact CG-CB 4.27Å; Y96-F346 AromaticContact CG-CD1 3.86Å; Y96-F346 HydrophobicContact CG-CD1 3.86Å; L100-F346 HydrophobicContact CD1-CB 3.9Å; L100-F346 HydrophobicContact CD1-CD2 3.71Å; L100-F346 HydrophobicContact CD1-CE2 4.48Å; L100-F346 HydrophobicContact CD1-CG 3.97Å; L100-F346 HydrophobicContact CD2-CD2 4.19Å; L100-F346 HydrophobicContact CD2-CE2 4.19Å; L100-F346 HydrophobicContact CG-CD2 4.29Å; P344-F346 VanDerWaalsContact C-N 3.26Å; P344-F346 PolarHBondContact O-N 3.18Å; P344-F346 VanDerWaalsContact O-N 3.11Å; F346-L348 VanDerWaalsContact C-N 3.35Å; F346-L348 PolarHBondContact O-N 3.03Å; F346-Q349 PolarHBondContact O-N 3.48Å; F346-L350 HydrophobicContact CD1-CD1 4.2Å; F346-L350 HydrophobicContact CD2-CD1 4.29Å; F346-L350 HydrophobicContact CD2-CG 4.46Å; F346-L350 HydrophobicContact CE1-CD1 3.75Å; F346-L350 HydrophobicContact CE2-CD1 3.84Å; F346-L350 HydrophobicContact CE2-CD2 4.48Å; F346-L350 HydrophobicContact CE2-CG 4.17Å; F346-L350 HydrophobicContact CG-CD1 4.47Å; F346-L350 HydrophobicContact CZ-CD1 3.54Å; F346-L350 HydrophobicContact CZ-CG 4.36Å; F346-L350 WeakPolarHBondContact O-CG 3.26Å; F346-L350 PolarHBondContact O-N 3.06Å; F346-L350 VanDerWaalsContact O-N 3.12Å; F346-L377 HydrophobicContact CD2-CD1 4.14Å; F346-L377 HydrophobicContact CD2-CD2 3.61Å; F346-L377 HydrophobicContact CE2-CD1 3.73Å; F346-L377 HydrophobicContact CE2-CD2 4.09Å; F346-L396 HydrophobicContact CE1-CD2 3.98Å; F346-L396 HydrophobicContact CE1-CG 4.06Å; F346-L396 HydrophobicContact CE2-CD2 3.81Å; F346-L396 HydrophobicContact CZ-CB 4.41Å; F346-L396 HydrophobicContact CZ-CD2 3.47Å; F346-L396 VanDerWaalsContact CZ-CD2 3.47Å; F346-L396 HydrophobicContact CZ-CG 3.75Å; F346-L402 HydrophobicContact CD1-CD1 3.97Å; F346-L402 HydrophobicContact CE1-CD1 3.64Å
347R97Very high96.4Very high93 Ų9331.2 Ų31.235%0.35115%0.145SC..Hα-helixtrans-67-37.8179.5-175.3172.3-176.9-174.4-5.2111.7Y96 E343 P344 W345 L350 N351Y96-R347 HydrophobicContact CE2-CB 4.41Å; E343-R347 WeakPolarHBondContact OE1-CD 3.45Å; E343-R347 IonicContact OE1-CZ 3.43Å; E343-R347 VanDerWaalsContact OE1-CZ 3.28Å; E343-R347 IonicContact OE1-NE 3.35Å; E343-R347 PolarHBondContact OE1-NE 2.91Å; E343-R347 IonicContact OE1-NH1 2.76Å; E343-R347 IonicContact OE1-NH2 2.72Å; P344-R347 PolarHBondContact O-N 2.88Å; W345-R347 PolarHBondContact O-N 2.65Å; R347-L350 PolarHBondContact O-N 3.22Å; R347-N351 WeakPolarHBondContact O-CB 3.45Å; R347-N351 VanDerWaalsContact O-CG 3.25Å; R347-N351 PolarHBondContact O-N 3.48Å
348L97.6Very high96.4Very high13 Ų1334.5 Ų34.57%0.06816%0.162CC..Hα-helixtrans-58.3-48.7174.417366.1000111.3K210 V213 P344 W345 F346 L350 N351 G352K210-L348 HydrophobicContact CD-CD2 3.41Å; K210-L348 VanDerWaalsContact CD-CD2 3.41Å; V213-L348 HydrophobicContact CG2-CD1 3.72Å; P344-L348 PolarHBondContact O-N 3.42Å; W345-L348 WeakPolarHBondContact O-CB 3.32Å; W345-L348 PolarHBondContact O-N 2.82Å; F346-L348 VanDerWaalsContact C-N 3.35Å; F346-L348 PolarHBondContact O-N 3.03Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L348-L350 PolarHBondContact O-N 3.39Å; L348-N351 PolarHBondContact O-N 3.3Å; L348-G352 PolarHBondContact O-N 3.15Å
349Q98.1Very high96.5Very high1 Ų135 Ų351%0.00517%0.168CC..Hα-helixtrans-61.3-43.3178.9-62-50.7-44.100111.4H208 W345 F346 N351 G352 T353 H376 L377H208-Q349 PolarHBondContact O-NE2 2.81Å; H208-Q349 PolarHBondContact O-OE1 2.75Å; W345-Q349 HydrophobicContact CD2-CG 3.98Å; W345-Q349 HydrophobicContact CE3-CG 4.35Å; W345-Q349 HydrophobicContact CH2-CG 4.2Å; W345-Q349 HydrophobicContact CZ2-CG 3.77Å; W345-Q349 HydrophobicContact CZ3-CG 4.46Å; W345-Q349 VanDerWaalsContact NE1-NE2 3.11Å; W345-Q349 WeakPolarHBondContact O-CG 3.3Å; W345-Q349 PolarHBondContact O-N 3.19Å; F346-Q349 PolarHBondContact O-N 3.48Å; Q349-N351 PolarHBondContact O-N 3.23Å; Q349-G352 PolarHBondContact O-N 3.21Å; Q349-T353 WeakPolarHBondContact O-CB 3.34Å; Q349-T353 WeakPolarHBondContact O-CG2 3.4Å; Q349-T353 PolarHBondContact O-N 3.38Å; Q349-T353 PolarHBondContact O-OG1 3.36Å; Q349-H376 HydrophobicContact CB-CB 4.26Å; Q349-H376 HydrophobicContact CG-CB 4.47Å; Q349-H376 PolarHBondContact OE1-ND1 3.26Å; Q349-L377 HydrophobicContact CB-CD2 3.88Å; Q349-L377 HydrophobicContact CG-CD2 4.15Å
350L97.9Very high96.6Very high4 Ų437.8 Ų37.82%0.02119%0.189CC..Hα-helixtrans-66.8-32.7177-68.3176.6000113.9F346 R347 L348 I373 L402 R405F346-L350 HydrophobicContact CD1-CD1 4.2Å; F346-L350 HydrophobicContact CD2-CD1 4.29Å; F346-L350 HydrophobicContact CD2-CG 4.46Å; F346-L350 HydrophobicContact CE1-CD1 3.75Å; F346-L350 HydrophobicContact CE2-CD1 3.84Å; F346-L350 HydrophobicContact CE2-CD2 4.48Å; F346-L350 HydrophobicContact CE2-CG 4.17Å; F346-L350 HydrophobicContact CG-CD1 4.47Å; F346-L350 HydrophobicContact CZ-CD1 3.54Å; F346-L350 HydrophobicContact CZ-CG 4.36Å; F346-L350 WeakPolarHBondContact O-CG 3.26Å; F346-L350 PolarHBondContact O-N 3.06Å; F346-L350 VanDerWaalsContact O-N 3.12Å; R347-L350 PolarHBondContact O-N 3.22Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L348-L350 PolarHBondContact O-N 3.39Å; L350-I373 HydrophobicContact CD2-CG1 4.43Å; L350-I373 HydrophobicContact CD2-CG2 3.47Å; L350-I373 VanDerWaalsContact CD2-CG2 3.47Å; L350-L402 HydrophobicContact CD1-CB 4.16Å; L350-L402 HydrophobicContact CD1-CD1 3.86Å; L350-R405 PolarHBondContact O-NH1 3.06Å; L350-R405 VanDerWaalsContact O-NH1 3.09Å
351N97Very high96.6Very high25 Ų2541.3 Ų41.313%0.13420%0.203CC..Hα-helixtrans-72.6-34.6177.5-78.5-16.1000111.3M335 P336 E343 R347 L348 Q349M335-N351 WeakPolarHBondContact CB-O 3.33Å; M335-N351 WeakPolarHBondContact CE-O 3.43Å; P336-N351 WeakPolarHBondContact CD-O 3.31Å; E343-N351 PolarHBondContact OE2-ND2 3.38Å; E343-N351 VanDerWaalsContact OE2-ND2 3.07Å; R347-N351 WeakPolarHBondContact O-CB 3.45Å; R347-N351 VanDerWaalsContact O-CG 3.25Å; R347-N351 PolarHBondContact O-N 3.48Å; L348-N351 PolarHBondContact O-N 3.3Å; Q349-N351 PolarHBondContact O-N 3.23Å
352G96.7Very high96.8Very high2 Ų235.9 Ų35.92%0.02118%0.183CC..Hα-helixtrans-84.9-5.7-179.700000115.1H332 L348 Q349H332-G352 PolarHBondContact ND1-O 3.26Å; L348-G352 PolarHBondContact O-N 3.15Å; Q349-G352 PolarHBondContact O-N 3.21Å
353T98.1Very high97.1Very high0 Ų035.2 Ų35.20%018%0.175CC..  trans-134154.5-171.1600000113.7N331 Q349 Q372 I373 H376N331-T353 CarbonylContact O-C 3.34Å; Q349-T353 WeakPolarHBondContact O-CB 3.34Å; Q349-T353 WeakPolarHBondContact O-CG2 3.4Å; Q349-T353 PolarHBondContact O-N 3.38Å; Q349-T353 PolarHBondContact O-OG1 3.36Å; T353-Q372 HydrophobicContact CG2-CG 3.88Å; T353-I373 WeakPolarHBondContact OG1-CG1 3.38Å; T353-H376 HydrophobicContact CG2-CB 4.12Å
354C98Very high97.3Very high0 Ų037.2 Ų37.20%018%0.181CC..  trans-143.7154.9163.567.10000111.2N331 M335 Q372 R405N331-C354 WeakPolarHBondContact CB-O 3.1Å; N331-C354 PolarHBondContact ND2-O 3Å; N331-C354 PolarHBondContact O-N 3.48Å; N331-C354 PolarHBondContact O-SG 2.94Å; M335-C354 HydrophobicContact CG-CB 4.46Å; M335-C354 HydrophobicContact SD-CB 3.69Å; C354-Q372 WeakPolarHBondContact O-CB 3.5Å; C354-R405 HydrophobicContact CB-CB 3.71Å
355N98.5Very high97.4Very high2 Ų238.2 Ų38.21%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-89.1157.3177.3-75.9-5.5000112N370 F371 Q372 I373 E374 Y404 R405 V406 K407N355-N370 CarbonylContact C-O 3.54Å; N355-N370 WeakPolarHBondContact CA-O 3.31Å; N355-N370 WeakPolarHBondContact CB-O 3.3Å; N355-N370 PolarHBondContact OD1-O 2.96Å; N355-F371 WeakPolarHBondContact OD1-CA 3.44Å; N355-Q372 PolarHBondContact OD1-N 3.43Å; N355-I373 HydrophobicContact CB-CD1 4.5Å; N355-I373 WeakPolarHBondContact OD1-CB 3.25Å; N355-I373 PolarHBondContact OD1-N 2.86Å; N355-E374 PolarHBondContact ND2-OE1 3.02Å; N355-E374 PolarHBondContact ND2-OE2 3.27Å; N355-Y404 PolarHBondContact ND2-OH 3.38Å; N355-R405 WeakPolarHBondContact CB-O 3.35Å; N355-R405 PolarHBondContact N-O 2.93Å; N355-V406 HydrophobicContact CB-CB 4.46Å; N355-V406 HydrophobicContact CB-CG1 4.32Å; N355-V406 HydrophobicContact CB-CG2 4.1Å; N355-V406 CarbonylContact O-C 3.57Å; N355-V406 WeakPolarHBondContact O-CA 3.48Å; N355-K407 PolarHBondContact O-N 3.25Å
356V98Very high97.4Very high1 Ų137.4 Ų37.41%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-106.7149.6164.6173.40000108.3N358 N370 K407 I409 A412V356-N358 PolarHBondContact O-N 2.79Å; V356-N370 HydrophobicContact CB-CB 3.71Å; V356-N370 HydrophobicContact CG1-CB 4.24Å; V356-N370 PolarHBondContact N-O 2.85Å; V356-N370 VanDerWaalsContact O-O 3.09Å; V356-K407 CarbonylContact C-O 3.54Å; V356-K407 WeakPolarHBondContact CA-O 3.31Å; V356-I409 HydrophobicContact CG1-CB 3.58Å; V356-I409 HydrophobicContact CG1-CG1 4Å; V356-A412 HydrophobicContact CG2-CB 3.73Å
357E97.3Very high97.5Very high95 Ų9537.3 Ų37.344%0.44418%0.181SC..  trans-49.3140.1176.3-74.5176.5164.300111.9N362 V406 K407 P408E357-N362 WeakPolarHBondContact O-CB 3.45Å; E357-N362 PolarHBondContact O-ND2 2.9Å; E357-V406 HydrophobicContact CG-CG1 4.22Å; E357-K407 PolarHBondContact N-O 2.81Å; E357-P408 WeakPolarHBondContact OE2-CA 3.33Å
358N94.9Very high97.5Very high76 Ų7633.9 Ų33.941%0.40617%0.168SC..  trans-89.5136.4177.171.4-80000110.9V356 N370 F371 K390V356-N358 PolarHBondContact O-N 2.79Å; N358-N370 WeakPolarHBondContact CA-ND2 3.33Å; N358-F371 HydrophobicContact CB-CE1 3.88Å; N358-F371 HydrophobicContact CB-CE2 3.95Å; N358-F371 HydrophobicContact CB-CZ 3.28Å; N358-K390 PolarHBondContact OD1-NZ 3.45Å
359S96.8Very high97.5Very high48 Ų4833.8 Ų33.834%0.33617%0.168SC..  trans-159.8158.4173.871.80000107F361 N362 D363S359-F361 PolarHBondContact O-N 2.81Å; S359-F361 VanDerWaalsContact O-N 3.09Å; S359-N362 PolarHBondContact O-N 3.43Å; S359-N362 WeakPolarHBondContact OG-CB 3.29Å; S359-N362 VanDerWaalsContact OG-CG 3.27Å; S359-N362 PolarHBondContact OG-N 3.2Å; S359-D363 PolarHBondContact N-OD1 3.21Å; S359-D363 VanDerWaalsContact O-CB 3.32Å; S359-D363 WeakPolarHBondContact O-CB 3.33Å; S359-D363 PolarHBondContact O-N 3.06Å
360L96.3Very high97.5Very high160 Ų16033.7 Ų33.784%0.83817%0.168SC*.Hα-helixtrans-53.5-36.8178-64.7176.9000112.2W364L360-W364 WeakPolarHBondContact O-CB 3.34Å; L360-W364 PolarHBondContact O-N 3.43Å
361F97.5Very high97.6Very high116 Ų11633.6 Ų33.651%0.50917%0.167SC..Hα-helixtrans-69.9-50.2175.7178.1-101.1000112.2S359 D363 W364 F365S359-F361 PolarHBondContact O-N 2.81Å; S359-F361 VanDerWaalsContact O-N 3.09Å; F361-D363 PolarHBondContact O-N 3.33Å; F361-W364 HydrophobicContact CD2-CE3 4.29Å; F361-W364 HydrophobicContact CE2-CE3 4.23Å; F361-W364 HydrophobicContact CE2-CZ3 4.07Å; F361-W364 PolarHBondContact O-N 3.14Å; F361-F365 HydrophobicContact CD1-CB 4.42Å; F361-F365 HydrophobicContact CE1-CB 4.05Å; F361-F365 HydrophobicContact CE1-CD2 4.34Å; F361-F365 HydrophobicContact CE1-CG 4.11Å; F361-F365 HydrophobicContact CE2-CB 4.37Å; F361-F365 HydrophobicContact CE2-CD2 4.32Å; F361-F365 HydrophobicContact CZ-CB 4.03Å; F361-F365 AromaticContact CZ-CD2 3.74Å; F361-F365 HydrophobicContact CZ-CD2 3.74Å; F361-F365 HydrophobicContact CZ-CE2 4.46Å; F361-F365 AromaticContact CZ-CG 3.96Å; F361-F365 HydrophobicContact CZ-CG 3.96Å; F361-F365 WeakPolarHBondContact O-CB 3.43Å; F361-F365 PolarHBondContact O-N 3.05Å
362N98Very high97.6Very high11 Ų1132.8 Ų32.86%0.05916%0.163CC..Hα-helixtrans-63.2-44.3-178.2-68.9-6.5000110.7E357 S359 W364 F365 T366E357-N362 WeakPolarHBondContact O-CB 3.45Å; E357-N362 PolarHBondContact O-ND2 2.9Å; S359-N362 PolarHBondContact O-N 3.43Å; S359-N362 WeakPolarHBondContact OG-CB 3.29Å; S359-N362 VanDerWaalsContact OG-CG 3.27Å; S359-N362 PolarHBondContact OG-N 3.2Å; N362-W364 VanDerWaalsContact C-N 3.28Å; N362-W364 PolarHBondContact O-N 2.9Å; N362-F365 PolarHBondContact O-N 3.29Å; N362-T366 WeakPolarHBondContact O-CB 3.46Å; N362-T366 WeakPolarHBondContact O-CG2 3.25Å; N362-T366 PolarHBondContact O-N 3.38Å; N362-T366 PolarHBondContact O-OG1 3.27Å
363D98Very high97.7Very high20 Ų2032.8 Ų32.811%0.10716%0.162CC..Hα-helixtrans-59.2-40.3179.2-60.2-9.2000110.9S359 F361 G367 H368 N370 F371S359-D363 PolarHBondContact N-OD1 3.21Å; S359-D363 VanDerWaalsContact O-CB 3.32Å; S359-D363 WeakPolarHBondContact O-CB 3.33Å; S359-D363 PolarHBondContact O-N 3.06Å; F361-D363 PolarHBondContact O-N 3.33Å; D363-G367 CarbonylContact O-C 3.57Å; D363-G367 WeakPolarHBondContact O-CA 3.33Å; D363-G367 PolarHBondContact O-N 3.18Å; D363-H368 PolarHBondContact O-CE1 3.38Å; D363-H368 PolarHBondContact O-N 3.46Å; D363-H368 PolarHBondContact O-ND1 3.18Å; D363-N370 PolarHBondContact OD1-ND2 3.28Å; D363-N370 PolarHBondContact OD1-OD1 3.16Å; D363-F371 WeakPolarHBondContact OD1-CE2 3.41Å
364W97.5Very high97.7Very high74 Ų7432.8 Ų32.828%0.2816%0.162SC..Hα-helixtrans-73-46.6174.1172.675.5000112.9I157 Q161 W323 L360 F361 N362 G367I157-W364 HydrophobicContact CG2-CH2 4.23Å; I157-W364 HydrophobicContact CG2-CZ2 3.81Å; Q161-W364 PolarHBondContact NE2-O 2.84Å; W323-W364 HydrophobicContact CH2-CH2 4.03Å; W323-W364 HydrophobicContact CH2-CZ2 4.41Å; L360-W364 WeakPolarHBondContact O-CB 3.34Å; L360-W364 PolarHBondContact O-N 3.43Å; F361-W364 HydrophobicContact CD2-CE3 4.29Å; F361-W364 HydrophobicContact CE2-CE3 4.23Å; F361-W364 HydrophobicContact CE2-CZ3 4.07Å; F361-W364 PolarHBondContact O-N 3.14Å; N362-W364 VanDerWaalsContact C-N 3.28Å; N362-W364 PolarHBondContact O-N 2.9Å; W364-G367 PolarHBondContact O-N 3.26Å
365F97.9Very high97.7Very high40 Ų4032.8 Ų32.818%0.17516%0.162CC..Hα-helixtrans-66.5-44.7-173.2-177.8-95.8000111.6W164 W323 V327 F361 N362 G367 I409 F413W164-F365 PolarHBondContact NE1-O 2.87Å; W323-F365 AromaticContact CD1-CE1 3.92Å; W323-F365 AromaticContact CD1-CZ 3.68Å; W323-F365 HydrophobicContact CD2-CE2 4.16Å; W323-F365 HydrophobicContact CD2-CZ 4.4Å; W323-F365 AromaticContact CE2-CD2 3.81Å; W323-F365 AromaticContact CE2-CE2 3.63Å; W323-F365 HydrophobicContact CG-CE2 4.47Å; W323-F365 HydrophobicContact CG-CZ 4.24Å; W323-F365 HydrophobicContact CH2-CD2 4.48Å; W323-F365 AromaticContact CZ2-CD2 3.68Å; W323-F365 HydrophobicContact CZ2-CD2 3.68Å; W323-F365 AromaticContact CZ2-CE2 3.89Å; W323-F365 HydrophobicContact CZ2-CE2 3.89Å; W323-F365 HydrophobicContact CZ2-CG 4.32Å; W323-F365 WeakPolarHBondContact CZ2-O 3.45Å; W323-F365 AromaticContact NE1-CD1 3.92Å; W323-F365 AromaticContact NE1-CD2 3.82Å; W323-F365 AromaticContact NE1-CE1 3.69Å; W323-F365 AromaticContact NE1-CE2 3.61Å; W323-F365 AromaticContact NE1-CG 3.98Å; W323-F365 AromaticContact NE1-CZ 3.54Å; W323-F365 PolarHBondContact NE1-O 2.79Å; V327-F365 HydrophobicContact CG2-CD1 4.17Å; V327-F365 HydrophobicContact CG2-CE1 3.87Å; F361-F365 HydrophobicContact CD1-CB 4.42Å; F361-F365 HydrophobicContact CE1-CB 4.05Å; F361-F365 HydrophobicContact CE1-CD2 4.34Å; F361-F365 HydrophobicContact CE1-CG 4.11Å; F361-F365 HydrophobicContact CE2-CB 4.37Å; F361-F365 HydrophobicContact CE2-CD2 4.32Å; F361-F365 HydrophobicContact CZ-CB 4.03Å; F361-F365 AromaticContact CZ-CD2 3.74Å; F361-F365 HydrophobicContact CZ-CD2 3.74Å; F361-F365 HydrophobicContact CZ-CE2 4.46Å; F361-F365 AromaticContact CZ-CG 3.96Å; F361-F365 HydrophobicContact CZ-CG 3.96Å; F361-F365 WeakPolarHBondContact O-CB 3.43Å; F361-F365 PolarHBondContact O-N 3.05Å; N362-F365 PolarHBondContact O-N 3.29Å; F365-G367 VanDerWaalsContact C-N 3.31Å; F365-I409 HydrophobicContact CD1-CD1 4.17Å; F365-F413 HydrophobicContact CE1-CE2 4.39Å; F365-F413 AromaticContact CE1-CZ 3.99Å; F365-F413 HydrophobicContact CE1-CZ 3.99Å
366T97.9Very high97.7Very high1 Ų132.7 Ų32.71%0.00616%0.161CC..THydrogen-bonded Turntrans-89.41.1179.571.80000112.6V327 N362 H368 L369 N370 I409V327-T366 HydrophobicContact CG1-CG2 4.11Å; V327-T366 HydrophobicContact CG2-CG2 4.09Å; N362-T366 WeakPolarHBondContact O-CB 3.46Å; N362-T366 WeakPolarHBondContact O-CG2 3.25Å; N362-T366 PolarHBondContact O-N 3.38Å; N362-T366 PolarHBondContact O-OG1 3.27Å; T366-H368 PolarHBondContact O-N 3.37Å; T366-L369 VanDerWaalsContact O-CB 3.27Å; T366-L369 WeakPolarHBondContact O-CB 3.47Å; T366-L369 VanDerWaalsContact O-CG 3.31Å; T366-L369 WeakPolarHBondContact O-CG 3.42Å; T366-L369 PolarHBondContact O-N 2.76Å; T366-L369 VanDerWaalsContact O-N 3.09Å; T366-L369 PolarHBondContact OG1-N 3.43Å; T366-N370 HydrophobicContact CG2-CB 4.46Å; T366-N370 PolarHBondContact OG1-N 3.04Å; T366-N370 VanDerWaalsContact OG1-N 3.1Å; T366-N370 PolarHBondContact OG1-OD1 2.98Å; T366-N370 VanDerWaalsContact OG1-OD1 3.08Å; T366-I409 HydrophobicContact CG2-CD1 4.28Å
367G97.7Very high97.8Very high2 Ų232.7 Ų32.72%0.02116%0.161CC..THydrogen-bonded Turntrans58.737.2-172.800000113.4W164 D363 W364 F365 L369 R383W164-G367 VanDerWaalsContact CD1-CA 3.49Å; D363-G367 CarbonylContact O-C 3.57Å; D363-G367 WeakPolarHBondContact O-CA 3.33Å; D363-G367 PolarHBondContact O-N 3.18Å; W364-G367 PolarHBondContact O-N 3.26Å; F365-G367 VanDerWaalsContact C-N 3.31Å; G367-L369 PolarHBondContact O-N 2.89Å; G367-R383 WeakPolarHBondContact O-CD 3.29Å; G367-R383 PolarHBondContact O-NH1 2.94Å
368H98.1Very high97.8Very high20 Ų2028.2 Ų28.29%0.09314%0.14CC..THydrogen-bonded Turntrans678.5-175.6-58.353.4000115.1F119 D363 T366 N370 F371 R383 Y386F119-H368 AromaticContact CZ-CE1 3.84Å; D363-H368 PolarHBondContact O-CE1 3.38Å; D363-H368 PolarHBondContact O-N 3.46Å; D363-H368 PolarHBondContact O-ND1 3.18Å; T366-H368 PolarHBondContact O-N 3.37Å; H368-N370 WeakPolarHBondContact CA-OD1 3.45Å; H368-N370 PolarHBondContact O-N 3.01Å; H368-N370 PolarHBondContact O-OD1 3.29Å; H368-F371 HydrophobicContact CB-CD2 4.34Å; H368-F371 WeakPolarHBondContact O-CD2 3.33Å; H368-F371 PolarHBondContact O-N 2.97Å; H368-R383 HydrophobicContact CB-CB 3.9Å; H368-R383 HydrophobicContact CB-CG 4.28Å; H368-R383 PolarHBondContact CD2-O 2.99Å; H368-Y386 HydrophobicContact CB-CD2 4.21Å
369L97.9Very high97.9Very high11 Ų1124.6 Ų24.66%0.05812%0.121CC..G310 helixtrans-70-3.4171.7-60.9178.1000113.7W164 V327 N331 T366 G367 F371 Q372W164-L369 HydrophobicContact CE3-CD1 3.87Å; W164-L369 HydrophobicContact CH2-CD1 4.33Å; W164-L369 HydrophobicContact CZ3-CD1 3.6Å; V327-L369 HydrophobicContact CG1-CB 4.18Å; V327-L369 HydrophobicContact CG1-CD1 4.16Å; N331-L369 PolarHBondContact ND2-O 2.82Å; N331-L369 VanDerWaalsContact ND2-O 3.14Å; N331-L369 PolarHBondContact OD1-O 3.35Å; T366-L369 VanDerWaalsContact O-CB 3.27Å; T366-L369 WeakPolarHBondContact O-CB 3.47Å; T366-L369 VanDerWaalsContact O-CG 3.31Å; T366-L369 WeakPolarHBondContact O-CG 3.42Å; T366-L369 PolarHBondContact O-N 2.76Å; T366-L369 VanDerWaalsContact O-N 3.09Å; T366-L369 PolarHBondContact OG1-N 3.43Å; G367-L369 PolarHBondContact O-N 2.89Å; L369-F371 PolarHBondContact O-N 2.64Å; L369-Q372 PolarHBondContact O-N 2.97Å; L369-Q372 PolarHBondContact O-OE1 3.42Å
370N98.1Very high97.9Very high0 Ų023 Ų230%011%0.11CC..G310 helixtrans-62.1-17.8162.961.8-58.8000112N355 V356 N358 D363 T366 H368N355-N370 CarbonylContact C-O 3.54Å; N355-N370 WeakPolarHBondContact CA-O 3.31Å; N355-N370 WeakPolarHBondContact CB-O 3.3Å; N355-N370 PolarHBondContact OD1-O 2.96Å; V356-N370 HydrophobicContact CB-CB 3.71Å; V356-N370 HydrophobicContact CG1-CB 4.24Å; V356-N370 PolarHBondContact N-O 2.85Å; V356-N370 VanDerWaalsContact O-O 3.09Å; N358-N370 WeakPolarHBondContact CA-ND2 3.33Å; D363-N370 PolarHBondContact OD1-ND2 3.28Å; D363-N370 PolarHBondContact OD1-OD1 3.16Å; T366-N370 HydrophobicContact CG2-CB 4.46Å; T366-N370 PolarHBondContact OG1-N 3.04Å; T366-N370 VanDerWaalsContact OG1-N 3.1Å; T366-N370 PolarHBondContact OG1-OD1 2.98Å; T366-N370 VanDerWaalsContact OG1-OD1 3.08Å; H368-N370 WeakPolarHBondContact CA-OD1 3.45Å; H368-N370 PolarHBondContact O-N 3.01Å; H368-N370 PolarHBondContact O-OD1 3.29Å
371F98.5Very high97.9Very high1 Ų115.4 Ų15.40%0.0047%0.07CC..G310 helixtrans-97.847.7169.1-57.9-86.7000112.5N355 N358 D363 H368 L369 I373 E374 H375 Y386 H387 K390N355-F371 WeakPolarHBondContact OD1-CA 3.44Å; N358-F371 HydrophobicContact CB-CE1 3.88Å; N358-F371 HydrophobicContact CB-CE2 3.95Å; N358-F371 HydrophobicContact CB-CZ 3.28Å; D363-F371 WeakPolarHBondContact OD1-CE2 3.41Å; H368-F371 HydrophobicContact CB-CD2 4.34Å; H368-F371 WeakPolarHBondContact O-CD2 3.33Å; H368-F371 PolarHBondContact O-N 2.97Å; L369-F371 PolarHBondContact O-N 2.64Å; F371-I373 VanDerWaalsContact C-N 3.31Å; F371-I373 PolarHBondContact O-N 2.99Å; F371-E374 HydrophobicContact CB-CB 4.45Å; F371-E374 PolarHBondContact O-N 3.46Å; F371-H375 VanDerWaalsContact O-CB 3.23Å; F371-H375 WeakPolarHBondContact O-CB 3.46Å; F371-H375 PolarHBondContact O-N 3.18Å; F371-Y386 HydrophobicContact CB-CD2 3.96Å; F371-Y386 HydrophobicContact CB-CG 4Å; F371-H387 HydrophobicContact CE1-CB 3.92Å; F371-H387 HydrophobicContact CE2-CB 4.37Å; F371-H387 HydrophobicContact CZ-CB 3.56Å; F371-K390 HydrophobicContact CD1-CB 4.32Å; F371-K390 HydrophobicContact CD1-CD 4.12Å; F371-K390 HydrophobicContact CE1-CB 4.33Å; F371-K390 HydrophobicContact CE1-CD 3.73Å
372Q98.3Very high98Very high9 Ų99.9 Ų9.94%0.0425%0.046CC..Hα-helixtrans-60-36.1-174.3-159.768.3-6.500114.3N331 H332 T353 C354 N355 L369 H375 H376N331-Q372 HydrophobicContact CB-CB 3.75Å; N331-Q372 HydrophobicContact CB-CG 3.66Å; H332-Q372 PolarHBondContact NE2-NE2 3.37Å; T353-Q372 HydrophobicContact CG2-CG 3.88Å; C354-Q372 WeakPolarHBondContact O-CB 3.5Å; N355-Q372 PolarHBondContact OD1-N 3.43Å; L369-Q372 PolarHBondContact O-N 2.97Å; L369-Q372 PolarHBondContact O-OE1 3.42Å; Q372-H375 PolarHBondContact O-N 2.96Å; Q372-H376 PolarHBondContact NE2-NE2 2.91Å; Q372-H376 WeakPolarHBondContact O-CB 3.49Å; Q372-H376 PolarHBondContact O-CD2 2.94Å; Q372-H376 VanDerWaalsContact O-CD2 3.27Å; Q372-H376 PolarHBondContact O-N 3.49Å
373I98.6Very high98Very high1 Ų19.5 Ų9.51%0.0054%0.043CC..Hα-helixtrans-60.5-54.9176.9-68.9170000109.5L350 T353 N355 F371 H375 H376 L377 V393 Y404L350-I373 HydrophobicContact CD2-CG1 4.43Å; L350-I373 HydrophobicContact CD2-CG2 3.47Å; L350-I373 VanDerWaalsContact CD2-CG2 3.47Å; T353-I373 WeakPolarHBondContact OG1-CG1 3.38Å; N355-I373 HydrophobicContact CB-CD1 4.5Å; N355-I373 WeakPolarHBondContact OD1-CB 3.25Å; N355-I373 PolarHBondContact OD1-N 2.86Å; F371-I373 VanDerWaalsContact C-N 3.31Å; F371-I373 PolarHBondContact O-N 2.99Å; I373-H375 VanDerWaalsContact C-N 3.29Å; I373-H375 PolarHBondContact O-N 3.35Å; I373-H376 PolarHBondContact O-N 3.26Å; I373-L377 HydrophobicContact CG2-CD1 4.01Å; I373-L377 VanDerWaalsContact O-CG 3.28Å; I373-L377 WeakPolarHBondContact O-CG 3.33Å; I373-L377 PolarHBondContact O-N 3.5Å; I373-L377 VanDerWaalsContact O-N 3.13Å; I373-V393 HydrophobicContact CG2-CG1 3.71Å; I373-Y404 HydrophobicContact CD1-CD2 3.97Å; I373-Y404 HydrophobicContact CD1-CE2 3.93Å; I373-Y404 HydrophobicContact CG2-CE2 4.2Å
374E98.5Very high97.9Very high0 Ų09.9 Ų9.90%04%0.044CC..Hα-helixtrans-63.5-38.7179.9-65.771.5-159.200111.1N355 F371 H376 L377 F378 Y386 V389 K390 V393 Y404N355-E374 PolarHBondContact ND2-OE1 3.02Å; N355-E374 PolarHBondContact ND2-OE2 3.27Å; F371-E374 HydrophobicContact CB-CB 4.45Å; F371-E374 PolarHBondContact O-N 3.46Å; E374-H376 PolarHBondContact O-N 3.46Å; E374-L377 PolarHBondContact O-N 3.37Å; E374-F378 WeakPolarHBondContact O-CD2 3.42Å; E374-F378 PolarHBondContact O-N 2.78Å; E374-Y386 HydrophobicContact CB-CD1 4.12Å; E374-Y386 HydrophobicContact CB-CG 4.42Å; E374-V389 HydrophobicContact CG-CB 4.42Å; E374-V389 HydrophobicContact CG-CG1 4.33Å; E374-K390 HydrophobicContact CG-CB 4.32Å; E374-K390 WeakPolarHBondContact OE1-CA 3.39Å; E374-V393 HydrophobicContact CG-CB 4.39Å; E374-V393 HydrophobicContact CG-CG2 4.11Å; E374-Y404 VanDerWaalsContact OE1-CE2 3.29Å; E374-Y404 WeakPolarHBondContact OE1-CE2 3.47Å; E374-Y404 PolarHBondContact OE1-OH 2.92Å
375H98.4Very high97.9Very high0 Ų07.1 Ų7.10%04%0.035CC..Hα-helixtrans-59.7-44.9176.7174.752000112.4H167 H171 H208 F371 Q372 I373 L377 F378 P379 Y386H167-H375 AromaticContact CE1-CE1 3.15Å; H167-H375 PolarHBondContact CE1-CE1 3.28Å; H167-H375 AromaticContact CE1-NE2 3.12Å; H167-H375 PolarHBondContact CE1-NE2 2.88Å; H167-H375 AromaticContact NE2-CE1 3.67Å; H167-H375 AromaticContact NE2-NE2 3.29Å; H167-H375 PolarHBondContact NE2-NE2 3.4Å; H171-H375 AromaticContact CD2-CE1 3.54Å; H171-H375 AromaticContact NE2-CE1 3.26Å; H171-H375 PolarHBondContact NE2-CE1 3.22Å; H171-H375 VanDerWaalsContact NE2-CE1 3.26Å; H171-H375 AromaticContact NE2-NE2 3.55Å; H208-H375 AromaticContact CE1-CD2 3.54Å; H208-H375 AromaticContact CE1-CE1 3.8Å; H208-H375 AromaticContact CE1-NE2 3.03Å; H208-H375 PolarHBondContact CE1-NE2 3.42Å; H208-H375 AromaticContact NE2-NE2 3.27Å; H208-H375 PolarHBondContact NE2-NE2 2.89Å; F371-H375 VanDerWaalsContact O-CB 3.23Å; F371-H375 WeakPolarHBondContact O-CB 3.46Å; F371-H375 PolarHBondContact O-N 3.18Å; Q372-H375 PolarHBondContact O-N 2.96Å; I373-H375 VanDerWaalsContact C-N 3.29Å; I373-H375 PolarHBondContact O-N 3.35Å; H375-L377 VanDerWaalsContact C-N 3.35Å; H375-L377 PolarHBondContact O-N 3.04Å; H375-F378 CarbonylContact O-C 3.33Å; H375-F378 PolarHBondContact O-N 2.99Å; H375-P379 WeakPolarHBondContact O-CA 3.37Å; H375-P379 WeakPolarHBondContact O-CD 3.46Å; H375-Y386 HydrophobicContact CB-CE1 4.45Å; H375-Y386 HydrophobicContact CB-CE2 3.9Å; H375-Y386 AromaticContact ND1-CZ 3.63Å; H375-Y386 PolarHBondContact ND1-OH 3.49Å
376H98.5Very high97.9Very high0 Ų05.4 Ų5.40%03%0.027CC..Hα-helixtrans-69.3-31.3177-88.3-109.8000113.6H207 H208 H332 Q349 T353 Q372 I373 E374H207-H376 AromaticContact CD2-CE1 3.79Å; H207-H376 AromaticContact NE2-CE1 3.35Å; H207-H376 PolarHBondContact NE2-CE1 2.74Å; H207-H376 VanDerWaalsContact NE2-CE1 3.35Å; H207-H376 AromaticContact NE2-NE2 3.47Å; H207-H376 PolarHBondContact NE2-NE2 3.45Å; H208-H376 AromaticContact CE1-CD2 3.63Å; H208-H376 AromaticContact CE1-CE1 3.73Å; H208-H376 AromaticContact CE1-CG 3.96Å; H208-H376 AromaticContact CE1-NE2 3.48Å; H208-H376 PolarHBondContact CE1-NE2 2.88Å; H208-H376 AromaticContact ND1-CD2 3.9Å; H208-H376 AromaticContact ND1-CE1 3.58Å; H208-H376 AromaticContact ND1-CG 3.77Å; H208-H376 AromaticContact ND1-ND1 3.57Å; H208-H376 AromaticContact ND1-NE2 3.8Å; H332-H376 AromaticContact CE1-CE1 3.62Å; H332-H376 AromaticContact CE1-NE2 3.34Å; H332-H376 PolarHBondContact CE1-NE2 3.28Å; H332-H376 VanDerWaalsContact CE1-NE2 3.34Å; H332-H376 AromaticContact NE2-NE2 3.54Å; Q349-H376 HydrophobicContact CB-CB 4.26Å; Q349-H376 HydrophobicContact CG-CB 4.47Å; Q349-H376 PolarHBondContact OE1-ND1 3.26Å; T353-H376 HydrophobicContact CG2-CB 4.12Å; Q372-H376 PolarHBondContact NE2-NE2 2.91Å; Q372-H376 WeakPolarHBondContact O-CB 3.49Å; Q372-H376 PolarHBondContact O-CD2 2.94Å; Q372-H376 VanDerWaalsContact O-CD2 3.27Å; Q372-H376 PolarHBondContact O-N 3.49Å; I373-H376 PolarHBondContact O-N 3.26Å; E374-H376 PolarHBondContact O-N 3.46Å
377L98.3Very high97.9Very high1 Ų19.7 Ų9.71%0.0055%0.047CC..Hα-helixtrans-78.8-32.5177.8-64.8174.8000112.7R104 W345 F346 Q349 I373 E374 H375 P379 V393R104-L377 PolarHBondContact NH2-O 3.17Å; W345-L377 HydrophobicContact CE3-CD2 4.45Å; W345-L377 HydrophobicContact CH2-CD2 4.07Å; W345-L377 HydrophobicContact CZ3-CD2 3.74Å; F346-L377 HydrophobicContact CD2-CD1 4.14Å; F346-L377 HydrophobicContact CD2-CD2 3.61Å; F346-L377 HydrophobicContact CE2-CD1 3.73Å; F346-L377 HydrophobicContact CE2-CD2 4.09Å; Q349-L377 HydrophobicContact CB-CD2 3.88Å; Q349-L377 HydrophobicContact CG-CD2 4.15Å; I373-L377 HydrophobicContact CG2-CD1 4.01Å; I373-L377 VanDerWaalsContact O-CG 3.28Å; I373-L377 WeakPolarHBondContact O-CG 3.33Å; I373-L377 PolarHBondContact O-N 3.5Å; I373-L377 VanDerWaalsContact O-N 3.13Å; E374-L377 PolarHBondContact O-N 3.37Å; H375-L377 VanDerWaalsContact C-N 3.35Å; H375-L377 PolarHBondContact O-N 3.04Å; L377-P379 VanDerWaalsContact C-CD 3.47Å; L377-V393 HydrophobicContact CD1-CG1 3.63Å; L377-V393 HydrophobicContact CD1-CG2 4.05Å
378F97.8Very high97.9Very high1 Ų112.4 Ų12.40%0.0046%0.061CC..  trans-132.160.7-176.6-52.3-78.7000111.3L100 I103 R104 L107 F113 E374 H375 T380 M381 V389 V393L100-F378 HydrophobicContact CD2-CZ 4.18Å; I103-F378 HydrophobicContact CG2-CZ 4.18Å; R104-F378 HydrophobicContact CB-CE1 4.42Å; L107-F378 HydrophobicContact CD1-CD1 4.32Å; L107-F378 HydrophobicContact CD1-CE1 3.97Å; L107-F378 HydrophobicContact CD1-CE2 4.44Å; L107-F378 HydrophobicContact CD1-CZ 4.04Å; F113-F378 HydrophobicContact CE1-CB 4.4Å; F113-F378 HydrophobicContact CE1-CD1 4.46Å; F113-F378 AromaticContact CZ-CD1 3.93Å; F113-F378 HydrophobicContact CZ-CD1 3.93Å; E374-F378 WeakPolarHBondContact O-CD2 3.42Å; E374-F378 PolarHBondContact O-N 2.78Å; H375-F378 CarbonylContact O-C 3.33Å; H375-F378 PolarHBondContact O-N 2.99Å; F378-T380 PolarHBondContact O-N 3.45Å; F378-M381 HydrophobicContact CB-CB 3.92Å; F378-M381 HydrophobicContact CB-CE 4.33Å; F378-M381 WeakPolarHBondContact O-CB 3.22Å; F378-M381 PolarHBondContact O-N 3.24Å; F378-V389 HydrophobicContact CD2-CG1 3.79Å; F378-V389 HydrophobicContact CE2-CG1 3.62Å; F378-V389 HydrophobicContact CZ-CG1 4.42Å; F378-V393 HydrophobicContact CE2-CG2 3.77Å
379P97.1Very high97.9Very high1 Ų111.5 Ų11.51%0.0066%0.056CC..THydrogen-bonded Turntrans-61.4-34.1-17321.3-32.4000112.7A59 F60 H171 H375 L377 M381A59-P379 HydrophobicContact CB-CG 4.08Å; F60-P379 HydrophobicContact CD1-CG 3.92Å; F60-P379 HydrophobicContact CE1-CG 4.07Å; H171-P379 VanDerWaalsContact CB-O 3.28Å; H171-P379 WeakPolarHBondContact CB-O 3.46Å; H171-P379 WeakPolarHBondContact ND1-CB 3.48Å; H375-P379 WeakPolarHBondContact O-CA 3.37Å; H375-P379 WeakPolarHBondContact O-CD 3.46Å; L377-P379 VanDerWaalsContact C-CD 3.47Å; P379-M381 PolarHBondContact O-N 3.02Å
380T96.8Very high97.8Very high15 Ų1513 Ų139%0.0926%0.063CC..THydrogen-bonded Turntrans-75.3-3.9177.751.80000114.3A59 S173 F378A59-T380 WeakPolarHBondContact O-CG2 2.92Å; S173-T380 WeakPolarHBondContact CB-O 3.49Å; F378-T380 PolarHBondContact O-N 3.45Å
381M97.6Very high97.8Very high0 Ų016.7 Ų16.70%09%0.086CC..SBendtrans-79.8132176.4177.4172.3-65.800110.8L107 L112 F113 F378 P379 R383 N385 Y386 V389L107-M381 HydrophobicContact CB-CE 4.27Å; L107-M381 HydrophobicContact CD1-CE 3.83Å; L112-M381 HydrophobicContact CB-CE 4.05Å; L112-M381 WeakPolarHBondContact O-CG 3.44Å; F113-M381 HydrophobicContact CD1-CB 3.97Å; F113-M381 HydrophobicContact CD1-CE 4.34Å; F113-M381 HydrophobicContact CD2-CE 4.23Å; F113-M381 HydrophobicContact CE1-CB 3.88Å; F113-M381 HydrophobicContact CE1-CE 3.9Å; F113-M381 HydrophobicContact CE2-CE 3.8Å; F113-M381 HydrophobicContact CG-CE 4.49Å; F113-M381 HydrophobicContact CZ-CE 3.6Å; F378-M381 HydrophobicContact CB-CB 3.92Å; F378-M381 HydrophobicContact CB-CE 4.33Å; F378-M381 WeakPolarHBondContact O-CB 3.22Å; F378-M381 PolarHBondContact O-N 3.24Å; P379-M381 PolarHBondContact O-N 3.02Å; M381-R383 PolarHBondContact O-N 2.81Å; M381-N385 HydrophobicContact CG-CB 4.1Å; M381-N385 HydrophobicContact SD-CB 3.99Å; M381-Y386 HydrophobicContact CB-CE1 3.95Å; M381-Y386 HydrophobicContact CG-CD1 4.31Å; M381-Y386 HydrophobicContact CG-CE1 4.08Å; M381-Y386 PolarHBondContact O-OH 3.47Å; M381-Y386 HydrophobicContact SD-CD1 4.09Å; M381-Y386 HydrophobicContact SD-CE1 4.35Å; M381-V389 HydrophobicContact CE-CG2 3.61Å; M381-V389 HydrophobicContact SD-CB 4.36Å; M381-V389 HydrophobicContact SD-CG2 3.31Å; M381-V389 WeakPolarHBondContact SD-CG2 3.34Å
382P98.3Very high97.8Very high0 Ų020.1 Ų20.10%010%0.1CC..  trans-52.3129.9170.1-20.323000112.5L112 F120 S173 H384 N385L112-P382 WeakPolarHBondContact O-CD 3.13Å; F120-P382 HydrophobicContact CE2-CB 3.95Å; F120-P382 HydrophobicContact CZ-CB 4.04Å; S173-P382 WeakPolarHBondContact O-CG 3.39Å; P382-H384 WeakPolarHBondContact CB-CE1 3.34Å; P382-H384 PolarHBondContact O-N 3.12Å; P382-H384 VanDerWaalsContact O-N 3.09Å; P382-N385 WeakPolarHBondContact O-CB 3.41Å; P382-N385 PolarHBondContact O-N 2.82Å
383R97.6Very high97.8Very high3 Ų319.7 Ų19.71%0.01110%0.098CC..G310 helixtrans-58.7-28.6-170.569.3171.3162.1152.513.2116.3F119 F120 D168 G367 H368 M381 N385 Y386F119-R383 HydrophobicContact CE1-CG 3.96Å; F119-R383 HydrophobicContact CZ-CG 4.24Å; F120-R383 HydrophobicContact CE1-CG 4.47Å; D168-R383 VanDerWaalsContact OD1-CD 3.31Å; D168-R383 WeakPolarHBondContact OD1-CD 3.27Å; D168-R383 WeakPolarHBondContact OD1-CG 3.4Å; D168-R383 IonicContact OD1-NE 3.43Å; D168-R383 VanDerWaalsContact OD2-CD 3.3Å; D168-R383 WeakPolarHBondContact OD2-CD 3.25Å; D168-R383 IonicContact OD2-CZ 2.62Å; D168-R383 IonicContact OD2-NE 3.93Å; D168-R383 PolarHBondContact OD2-NE 2.89Å; D168-R383 IonicContact OD2-NH2 3.44Å; G367-R383 WeakPolarHBondContact O-CD 3.29Å; G367-R383 PolarHBondContact O-NH1 2.94Å; H368-R383 HydrophobicContact CB-CB 3.9Å; H368-R383 HydrophobicContact CB-CG 4.28Å; H368-R383 PolarHBondContact CD2-O 2.99Å; M381-R383 PolarHBondContact O-N 2.81Å; R383-N385 PolarHBondContact O-N 3.43Å; R383-Y386 VanDerWaalsContact CA-CE2 3.46Å; R383-Y386 HydrophobicContact CB-CD2 4.14Å; R383-Y386 HydrophobicContact CB-CE2 3.69Å; R383-Y386 VanDerWaalsContact O-CD2 3.26Å; R383-Y386 WeakPolarHBondContact O-CD2 3.45Å; R383-Y386 PolarHBondContact O-N 3.42Å
384H96.7Very high97.8Very high28 Ų2824.1 Ų24.113%0.1312%0.117CC..G310 helixtrans-68.8-10.2177.357.5-85.4000113.6S116 F119 F120 P382 H387S116-H384 VanDerWaalsContact CB-NE2 3.32Å; S116-H384 WeakPolarHBondContact CB-NE2 3.41Å; S116-H384 PolarHBondContact N-CE1 2.76Å; F119-H384 HydrophobicContact CD1-CB 4.16Å; F119-H384 AromaticContact CD1-CG 3.94Å; F119-H384 AromaticContact CD1-ND1 3.29Å; F119-H384 VanDerWaalsContact CD1-ND1 3.29Å; F119-H384 WeakPolarHBondContact CD1-ND1 3.21Å; F119-H384 HydrophobicContact CD2-CB 3.93Å; F119-H384 HydrophobicContact CE1-CB 4.04Å; F119-H384 AromaticContact CE1-ND1 3.7Å; F119-H384 HydrophobicContact CE2-CB 3.81Å; F119-H384 HydrophobicContact CG-CB 4.1Å; F119-H384 AromaticContact CG-CG 3.95Å; F119-H384 AromaticContact CG-ND1 3.69Å; F119-H384 HydrophobicContact CZ-CB 3.87Å; F120-H384 AromaticContact CE2-CE1 3.79Å; P382-H384 WeakPolarHBondContact CB-CE1 3.34Å; P382-H384 PolarHBondContact O-N 3.12Å; P382-H384 VanDerWaalsContact O-N 3.09Å; H384-H387 PolarHBondContact O-CE1 3.15Å; H384-H387 PolarHBondContact O-ND1 3.43Å
385N98.1Very high97.8Very high16 Ų1626.6 Ų26.69%0.08614%0.138CC..G310 helixtrans-97.4-6.9179.7-64.4-31.3000113.6L112 M381 P382 R383 H387 I388 V389L112-N385 HydrophobicContact CB-CB 4.3Å; L112-N385 HydrophobicContact CD2-CB 4.32Å; L112-N385 PolarHBondContact O-ND2 3.02Å; M381-N385 HydrophobicContact CG-CB 4.1Å; M381-N385 HydrophobicContact SD-CB 3.99Å; P382-N385 WeakPolarHBondContact O-CB 3.41Å; P382-N385 PolarHBondContact O-N 2.82Å; R383-N385 PolarHBondContact O-N 3.43Å; N385-H387 VanDerWaalsContact C-N 3.28Å; N385-H387 PolarHBondContact O-N 3.16Å; N385-I388 WeakPolarHBondContact O-CB 3.48Å; N385-I388 PolarHBondContact O-N 2.87Å; N385-V389 PolarHBondContact O-N 2.8Å
386Y98.4Very high97.8Very high3 Ų327 Ų271%0.01214%0.14CC..Hα-helixtrans-60.7-34.2-175.5-65.6-37.5000114H368 F371 E374 H375 M381 R383 I388 V389 K390H368-Y386 HydrophobicContact CB-CD2 4.21Å; F371-Y386 HydrophobicContact CB-CD2 3.96Å; F371-Y386 HydrophobicContact CB-CG 4Å; E374-Y386 HydrophobicContact CB-CD1 4.12Å; E374-Y386 HydrophobicContact CB-CG 4.42Å; H375-Y386 HydrophobicContact CB-CE1 4.45Å; H375-Y386 HydrophobicContact CB-CE2 3.9Å; H375-Y386 AromaticContact ND1-CZ 3.63Å; H375-Y386 PolarHBondContact ND1-OH 3.49Å; M381-Y386 HydrophobicContact CB-CE1 3.95Å; M381-Y386 HydrophobicContact CG-CD1 4.31Å; M381-Y386 HydrophobicContact CG-CE1 4.08Å; M381-Y386 PolarHBondContact O-OH 3.47Å; M381-Y386 HydrophobicContact SD-CD1 4.09Å; M381-Y386 HydrophobicContact SD-CE1 4.35Å; R383-Y386 VanDerWaalsContact CA-CE2 3.46Å; R383-Y386 HydrophobicContact CB-CD2 4.14Å; R383-Y386 HydrophobicContact CB-CE2 3.69Å; R383-Y386 VanDerWaalsContact O-CD2 3.26Å; R383-Y386 WeakPolarHBondContact O-CD2 3.45Å; R383-Y386 PolarHBondContact O-N 3.42Å; Y386-I388 PolarHBondContact O-N 3.33Å; Y386-V389 PolarHBondContact O-N 3.07Å; Y386-K390 PolarHBondContact O-N 3.44Å
387H97Very high97.8Very high92 Ų9227 Ų2743%0.42614%0.14SC..Hα-helixtrans-62.1-27.617672.1-83.9000113.2F371 H384 N385 P391F371-H387 HydrophobicContact CE1-CB 3.92Å; F371-H387 HydrophobicContact CE2-CB 4.37Å; F371-H387 HydrophobicContact CZ-CB 3.56Å; H384-H387 PolarHBondContact O-CE1 3.15Å; H384-H387 PolarHBondContact O-ND1 3.43Å; N385-H387 VanDerWaalsContact C-N 3.28Å; N385-H387 PolarHBondContact O-N 3.16Å; H387-P391 WeakPolarHBondContact O-CD 3.5Å
388I97.5Very high97.8Very high59 Ų5932.8 Ų32.830%0.30317%0.167SC..Hα-helixtrans-76.2-33.3176.5-53.9173.5000110.4L112 N385 Y386 P391 Y392L112-I388 HydrophobicContact CD1-CB 4.2Å; L112-I388 HydrophobicContact CD1-CG2 3.69Å; L112-I388 HydrophobicContact CD2-CD1 3.75Å; L112-I388 HydrophobicContact CD2-CG2 4.5Å; N385-I388 WeakPolarHBondContact O-CB 3.48Å; N385-I388 PolarHBondContact O-N 2.87Å; Y386-I388 PolarHBondContact O-N 3.33Å; I388-P391 WeakPolarHBondContact O-CD 3.24Å; I388-Y392 WeakPolarHBondContact O-CD2 3.28Å; I388-Y392 WeakPolarHBondContact O-CE2 3.3Å
389V97.3Very high97.8Very high0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-83.7-29.4-177.4-177.20000112.8L107 L112 E374 F378 M381 N385 Y386 P391 Y392 V393L107-V389 HydrophobicContact CD1-CG1 3.85Å; L107-V389 HydrophobicContact CD1-CG2 3.95Å; L107-V389 HydrophobicContact CD2-CG2 3.78Å; L107-V389 HydrophobicContact CG-CG2 4.48Å; L112-V389 HydrophobicContact CD1-CG2 4.32Å; E374-V389 HydrophobicContact CG-CB 4.42Å; E374-V389 HydrophobicContact CG-CG1 4.33Å; F378-V389 HydrophobicContact CD2-CG1 3.79Å; F378-V389 HydrophobicContact CE2-CG1 3.62Å; F378-V389 HydrophobicContact CZ-CG1 4.42Å; M381-V389 HydrophobicContact CE-CG2 3.61Å; M381-V389 HydrophobicContact SD-CB 4.36Å; M381-V389 HydrophobicContact SD-CG2 3.31Å; M381-V389 WeakPolarHBondContact SD-CG2 3.34Å; N385-V389 PolarHBondContact O-N 2.8Å; Y386-V389 PolarHBondContact O-N 3.07Å; V389-P391 VanDerWaalsContact C-N 3.35Å; V389-Y392 WeakPolarHBondContact O-CB 3.45Å; V389-Y392 PolarHBondContact O-N 2.95Å; V389-V393 HydrophobicContact CG1-CG2 3.91Å; V389-V393 PolarHBondContact O-N 2.95Å; V389-V393 VanDerWaalsContact O-N 3.15Å
390K97.7Very high97.8Very high43 Ų4340.7 Ų40.719%0.18720%0.2CC..Hα-helixtrans-44.6-48.2179156.6169.1-177.7-175.50114.3N358 F371 E374 Y386 Y392 V393 K394 Y404N358-K390 PolarHBondContact OD1-NZ 3.45Å; F371-K390 HydrophobicContact CD1-CB 4.32Å; F371-K390 HydrophobicContact CD1-CD 4.12Å; F371-K390 HydrophobicContact CE1-CB 4.33Å; F371-K390 HydrophobicContact CE1-CD 3.73Å; E374-K390 HydrophobicContact CG-CB 4.32Å; E374-K390 WeakPolarHBondContact OE1-CA 3.39Å; Y386-K390 PolarHBondContact O-N 3.44Å; K390-Y392 PolarHBondContact O-N 3.35Å; K390-V393 PolarHBondContact O-N 3.21Å; K390-K394 WeakPolarHBondContact O-CB 3.39Å; K390-K394 PolarHBondContact O-N 3.46Å; K390-Y404 WeakPolarHBondContact CG-OH 3.43Å
391P98Very high97.8Very high77 Ų7747.2 Ų47.250%0.524%0.235SC..Hα-helixtrans-60.3-39.3177.2-25.234.9000114H387 I388 V389 A395H387-P391 WeakPolarHBondContact O-CD 3.5Å; I388-P391 WeakPolarHBondContact O-CD 3.24Å; V389-P391 VanDerWaalsContact C-N 3.35Å; P391-A395 WeakPolarHBondContact O-CB 3.15Å; P391-A395 PolarHBondContact O-N 2.98Å
392Y98.1Very high97.8Very high73 Ų7348.4 Ų48.429%0.28624%0.241SC..Hα-helixtrans-65.1-44.8178.2-64.5-89.1000111.4I103 I106 L107 Q110 I388 V389 K390 A395 L396I103-Y392 HydrophobicContact CG2-CG 4.38Å; I106-Y392 HydrophobicContact CG2-CE1 4.32Å; L107-Y392 HydrophobicContact CD2-CD2 4.24Å; L107-Y392 HydrophobicContact CD2-CE2 4.23Å; Q110-Y392 PolarHBondContact NE2-OH 3.41Å; I388-Y392 WeakPolarHBondContact O-CD2 3.28Å; I388-Y392 WeakPolarHBondContact O-CE2 3.3Å; V389-Y392 WeakPolarHBondContact O-CB 3.45Å; V389-Y392 PolarHBondContact O-N 2.95Å; K390-Y392 PolarHBondContact O-N 3.35Å; Y392-A395 PolarHBondContact O-N 3.17Å; Y392-L396 WeakPolarHBondContact O-CB 3.42Å; Y392-L396 PolarHBondContact O-N 3.4Å
393V98.3Very high97.8Very high0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-69-39.7179.6176.20000111.4I373 E374 L377 F378 V389 K390 L396 C397 Y404I373-V393 HydrophobicContact CG2-CG1 3.71Å; E374-V393 HydrophobicContact CG-CB 4.39Å; E374-V393 HydrophobicContact CG-CG2 4.11Å; L377-V393 HydrophobicContact CD1-CG1 3.63Å; L377-V393 HydrophobicContact CD1-CG2 4.05Å; F378-V393 HydrophobicContact CE2-CG2 3.77Å; V389-V393 HydrophobicContact CG1-CG2 3.91Å; V389-V393 PolarHBondContact O-N 2.95Å; V389-V393 VanDerWaalsContact O-N 3.15Å; K390-V393 PolarHBondContact O-N 3.21Å; V393-L396 WeakPolarHBondContact O-CB 3.28Å; V393-L396 PolarHBondContact O-N 2.96Å; V393-C397 PolarHBondContact O-N 3.49Å; V393-C397 PolarHBondContact O-SG 2.86Å; V393-Y404 HydrophobicContact CG1-CD2 4.39Å; V393-Y404 HydrophobicContact CG1-CE2 4.09Å
394K98.3Very high97.8Very high94 Ų9453.1 Ų53.141%0.40927%0.268SS..Hα-helixtrans-61.1-47.9175.5-173.2-179178.7-161.30111.4K390 L396 C397 E398 Y404K390-K394 WeakPolarHBondContact O-CB 3.39Å; K390-K394 PolarHBondContact O-N 3.46Å; K394-L396 VanDerWaalsContact C-N 3.27Å; K394-L396 PolarHBondContact O-N 3.28Å; K394-C397 WeakPolarHBondContact O-CB 3.29Å; K394-C397 PolarHBondContact O-N 2.85Å; K394-C397 VanDerWaalsContact O-N 3.15Å; K394-E398 WeakPolarHBondContact CE-OE1 3.07Å; K394-E398 IonicContact NZ-OE1 3.45Å; K394-E398 WeakPolarHBondContact O-CG 3.12Å; K394-E398 PolarHBondContact O-N 2.92Å; K394-Y404 HydrophobicContact CB-CD1 4.21Å; K394-Y404 HydrophobicContact CB-CD2 4.2Å; K394-Y404 HydrophobicContact CB-CE1 4.21Å; K394-Y404 HydrophobicContact CB-CE2 4.22Å; K394-Y404 HydrophobicContact CB-CG 4.2Å; K394-Y404 HydrophobicContact CD-CD1 4.14Å; K394-Y404 HydrophobicContact CD-CE1 4.26Å; K394-Y404 HydrophobicContact CG-CD1 3.82Å; K394-Y404 HydrophobicContact CG-CD2 4.48Å; K394-Y404 HydrophobicContact CG-CE1 4.19Å; K394-Y404 HydrophobicContact CG-CG 3.98Å
395A98.4Very high97.8Very high53 Ų5355.1 Ų55.144%0.43827%0.274SS..Hα-helixtrans-60.3-37.7176.500000112.1P391 Y392 E398 K399P391-A395 WeakPolarHBondContact O-CB 3.15Å; P391-A395 PolarHBondContact O-N 2.98Å; Y392-A395 PolarHBondContact O-N 3.17Å; A395-E398 PolarHBondContact O-N 2.89Å; A395-K399 WeakPolarHBondContact O-CB 3.26Å; A395-K399 PolarHBondContact O-N 2.87Å
396L97.9Very high97.8Very high8 Ų857.1 Ų57.14%0.04229%0.286CS..Hα-helixtrans-65.2-42.5174.8-172.864.4000112.3D99 L100 I103 F346 Y392 V393 K394 E398 K399 Y400D99-L396 HydrophobicContact CB-CD1 3.53Å; D99-L396 VanDerWaalsContact OD2-CD1 3.22Å; D99-L396 WeakPolarHBondContact OD2-CD1 3.37Å; L100-L396 HydrophobicContact CD2-CD2 3.53Å; L100-L396 HydrophobicContact CG-CD2 3.81Å; I103-L396 HydrophobicContact CD1-CB 4.19Å; I103-L396 HydrophobicContact CD1-CD1 4.48Å; I103-L396 HydrophobicContact CD1-CD2 3.95Å; I103-L396 HydrophobicContact CD1-CG 4.45Å; F346-L396 HydrophobicContact CE1-CD2 3.98Å; F346-L396 HydrophobicContact CE1-CG 4.06Å; F346-L396 HydrophobicContact CE2-CD2 3.81Å; F346-L396 HydrophobicContact CZ-CB 4.41Å; F346-L396 HydrophobicContact CZ-CD2 3.47Å; F346-L396 VanDerWaalsContact CZ-CD2 3.47Å; F346-L396 HydrophobicContact CZ-CG 3.75Å; Y392-L396 WeakPolarHBondContact O-CB 3.42Å; Y392-L396 PolarHBondContact O-N 3.4Å; V393-L396 WeakPolarHBondContact O-CB 3.28Å; V393-L396 PolarHBondContact O-N 2.96Å; K394-L396 VanDerWaalsContact C-N 3.27Å; K394-L396 PolarHBondContact O-N 3.28Å; L396-E398 VanDerWaalsContact C-N 3.34Å; L396-K399 PolarHBondContact O-N 2.76Å; L396-Y400 HydrophobicContact CD1-CD2 3.89Å; L396-Y400 HydrophobicContact CD1-CE2 3.52Å; L396-Y400 HydrophobicContact CG-CD2 4.24Å; L396-Y400 HydrophobicContact CG-CE2 4.29Å; L396-Y400 WeakPolarHBondContact O-CD2 3.23Å; L396-Y400 PolarHBondContact O-N 2.67Å
397C98.3Very high97.7Very high0 Ų059 Ų590%029%0.294CS..Hα-helixtrans-62.1-43.5174.8-65.50000111.1V393 K394 Y400 N401 L402V393-C397 PolarHBondContact O-N 3.49Å; V393-C397 PolarHBondContact O-SG 2.86Å; K394-C397 WeakPolarHBondContact O-CB 3.29Å; K394-C397 PolarHBondContact O-N 2.85Å; K394-C397 VanDerWaalsContact O-N 3.15Å; C397-Y400 CarbonylContact O-C 3.6Å; C397-Y400 PolarHBondContact O-N 3.49Å; C397-N401 PolarHBondContact O-N 2.78Å; C397-L402 HydrophobicContact CB-CB 4.4Å; C397-L402 WeakPolarHBondContact CB-O 3.46Å; C397-L402 PolarHBondContact O-N 3.09Å
398E98.2Very high97.8Very high123 Ų12356.8 Ų56.858%0.57529%0.289SS*.Hα-helixtrans-60.8-45.7176.2-72.2170.1-176.500111.8K394 A395 L396 Y400 N401K394-E398 WeakPolarHBondContact CE-OE1 3.07Å; K394-E398 IonicContact NZ-OE1 3.45Å; K394-E398 WeakPolarHBondContact O-CG 3.12Å; K394-E398 PolarHBondContact O-N 2.92Å; A395-E398 PolarHBondContact O-N 2.89Å; L396-E398 VanDerWaalsContact C-N 3.34Å; E398-Y400 PolarHBondContact O-N 2.77Å; E398-N401 PolarHBondContact O-N 3.49Å
399K98.2Very high97.8Very high129 Ų12955.6 Ų55.656%0.56128%0.283SS*.Hα-helixtrans-52.6-41.8176.4177.6-178.8175.2-176.30112.3D99 A395 L396D99-K399 IonicContact OD1-NZ 3.81Å; D99-K399 PolarHBondContact OD1-NZ 3.39Å; D99-K399 WeakPolarHBondContact OD2-CD 3.45Å; D99-K399 WeakPolarHBondContact OD2-CE 3.05Å; D99-K399 IonicContact OD2-NZ 3.85Å; D99-K399 PolarHBondContact OD2-NZ 3.23Å; A395-K399 WeakPolarHBondContact O-CB 3.26Å; A395-K399 PolarHBondContact O-N 2.87Å; L396-K399 PolarHBondContact O-N 2.76Å
400Y97.1Very high97.8Very high39 Ų3958 Ų5815%0.15331%0.307CS..THydrogen-bonded Turntrans-97.19.3-177.6-67.8-64.2000114.3E95 Y96 D99 L396 C397 E398 L402E95-Y400 HydrophobicContact CB-CE1 4.28Å; E95-Y400 WeakPolarHBondContact CB-OH 3.36Å; E95-Y400 PolarHBondContact O-OH 3.28Å; Y96-Y400 HydrophobicContact CD1-CD1 4.12Å; Y96-Y400 AromaticContact CD1-CD2 3.76Å; Y96-Y400 HydrophobicContact CD1-CD2 3.76Å; Y96-Y400 AromaticContact CD1-CE1 3.98Å; Y96-Y400 HydrophobicContact CD1-CE1 3.98Å; Y96-Y400 AromaticContact CD1-CE2 3.63Å; Y96-Y400 HydrophobicContact CD1-CE2 3.63Å; Y96-Y400 HydrophobicContact CD1-CG 4.01Å; Y96-Y400 AromaticContact CD1-CZ 3.75Å; Y96-Y400 AromaticContact CE1-CD1 3.55Å; Y96-Y400 HydrophobicContact CE1-CD1 3.55Å; Y96-Y400 AromaticContact CE1-CD2 3.71Å; Y96-Y400 HydrophobicContact CE1-CD2 3.71Å; Y96-Y400 AromaticContact CE1-CE1 3.82Å; Y96-Y400 HydrophobicContact CE1-CE1 3.82Å; Y96-Y400 AromaticContact CE1-CE2 3.99Å; Y96-Y400 HydrophobicContact CE1-CE2 3.99Å; Y96-Y400 AromaticContact CE1-CG 3.48Å; Y96-Y400 HydrophobicContact CE1-CG 3.48Å; Y96-Y400 VanDerWaalsContact CE1-CG 3.48Å; D99-Y400 VanDerWaalsContact OD2-CE2 3.25Å; D99-Y400 WeakPolarHBondContact OD2-CE2 3.3Å; D99-Y400 PolarHBondContact OD2-OH 3.01Å; L396-Y400 HydrophobicContact CD1-CD2 3.89Å; L396-Y400 HydrophobicContact CD1-CE2 3.52Å; L396-Y400 HydrophobicContact CG-CD2 4.24Å; L396-Y400 HydrophobicContact CG-CE2 4.29Å; L396-Y400 WeakPolarHBondContact O-CD2 3.23Å; L396-Y400 PolarHBondContact O-N 2.67Å; C397-Y400 CarbonylContact O-C 3.6Å; C397-Y400 PolarHBondContact O-N 3.49Å; E398-Y400 PolarHBondContact O-N 2.77Å; Y400-L402 PolarHBondContact O-N 3.3Å
401N97.3Very high97.8Very high152 Ų15259.9 Ų59.981%0.81332%0.318SS*.THydrogen-bonded Turntrans51.139.8-175.6-165.930.3000112.6C397 E398C397-N401 PolarHBondContact O-N 2.78Å; E398-N401 PolarHBondContact O-N 3.49Å
402L97.2Very high97.7Very high24 Ų2456.2 Ų56.213%0.12629%0.294CS..  trans-97.8142.1177.3-65.5175000110.2Y96 F346 L350 C397 Y400 Y404Y96-L402 HydrophobicContact CE1-CD1 4.48Å; F346-L402 HydrophobicContact CD1-CD1 3.97Å; F346-L402 HydrophobicContact CE1-CD1 3.64Å; L350-L402 HydrophobicContact CD1-CB 4.16Å; L350-L402 HydrophobicContact CD1-CD1 3.86Å; C397-L402 HydrophobicContact CB-CB 4.4Å; C397-L402 WeakPolarHBondContact CB-O 3.46Å; C397-L402 PolarHBondContact O-N 3.09Å; Y400-L402 PolarHBondContact O-N 3.3Å; L402-Y404 PolarHBondContact O-N 3.07Å
403P97.2Very high97.7Very high66 Ų6655 Ų5543%0.42929%0.29SS..  trans-67.2118.2179.9-20.632.8000112.5R405P403-R405 HydrophobicContact CB-CG 4.22Å
404Y98.1Very high97.6Very high37 Ų3756.9 Ų56.915%0.14531%0.307CS..  trans-94.8104165.8-174.5-95.1000109.6N355 I373 E374 K390 V393 K394 L402 V406N355-Y404 PolarHBondContact ND2-OH 3.38Å; I373-Y404 HydrophobicContact CD1-CD2 3.97Å; I373-Y404 HydrophobicContact CD1-CE2 3.93Å; I373-Y404 HydrophobicContact CG2-CE2 4.2Å; E374-Y404 VanDerWaalsContact OE1-CE2 3.29Å; E374-Y404 WeakPolarHBondContact OE1-CE2 3.47Å; E374-Y404 PolarHBondContact OE1-OH 2.92Å; K390-Y404 WeakPolarHBondContact CG-OH 3.43Å; V393-Y404 HydrophobicContact CG1-CD2 4.39Å; V393-Y404 HydrophobicContact CG1-CE2 4.09Å; K394-Y404 HydrophobicContact CB-CD1 4.21Å; K394-Y404 HydrophobicContact CB-CD2 4.2Å; K394-Y404 HydrophobicContact CB-CE1 4.21Å; K394-Y404 HydrophobicContact CB-CE2 4.22Å; K394-Y404 HydrophobicContact CB-CG 4.2Å; K394-Y404 HydrophobicContact CD-CD1 4.14Å; K394-Y404 HydrophobicContact CD-CE1 4.26Å; K394-Y404 HydrophobicContact CG-CD1 3.82Å; K394-Y404 HydrophobicContact CG-CD2 4.48Å; K394-Y404 HydrophobicContact CG-CE1 4.19Å; K394-Y404 HydrophobicContact CG-CG 3.98Å; L402-Y404 PolarHBondContact O-N 3.07Å; Y404-V406 HydrophobicContact CD1-CG2 3.78Å; Y404-V406 HydrophobicContact CE1-CG2 3.34Å
405R97.7Very high97.5Very high70 Ų7053.6 Ų53.626%0.26429%0.293SS..  trans-97.8123.4-169-60.9-179.6-173.690.9-2.3111.3M335 L350 C354 N355 P403M335-R405 VanDerWaalsContact CE-NH1 3.32Å; L350-R405 PolarHBondContact O-NH1 3.06Å; L350-R405 VanDerWaalsContact O-NH1 3.09Å; C354-R405 HydrophobicContact CB-CB 3.71Å; N355-R405 WeakPolarHBondContact CB-O 3.35Å; N355-R405 PolarHBondContact N-O 2.93Å; P403-R405 HydrophobicContact CB-CG 4.22Å
406V98Very high97.3Very high57 Ų5751.3 Ų51.335%0.34527%0.274SS..EExtended strand (participates in β ladder)trans-131.3137.8173.3-169.60000108.9N355 E357 Y404N355-V406 HydrophobicContact CB-CB 4.46Å; N355-V406 HydrophobicContact CB-CG1 4.32Å; N355-V406 HydrophobicContact CB-CG2 4.1Å; N355-V406 CarbonylContact O-C 3.57Å; N355-V406 WeakPolarHBondContact O-CA 3.48Å; E357-V406 HydrophobicContact CG-CG1 4.22Å; Y404-V406 HydrophobicContact CD1-CG2 3.78Å; Y404-V406 HydrophobicContact CE1-CG2 3.34Å
407K96.9Very high97.1Very high42 Ų4254.5 Ų54.518%0.18329%0.287CS..EExtended strand (participates in β ladder)trans-132.6148.2179.3-60.5178-177.7178.70111.8N355 V356 E357 A412 D415N355-K407 PolarHBondContact O-N 3.25Å; V356-K407 CarbonylContact C-O 3.54Å; V356-K407 WeakPolarHBondContact CA-O 3.31Å; E357-K407 PolarHBondContact N-O 2.81Å; K407-A412 HydrophobicContact CB-CB 4.32Å; K407-D415 WeakPolarHBondContact CD-OD2 3.3Å; K407-D415 WeakPolarHBondContact CE-OD2 3.35Å; K407-D415 IonicContact NZ-OD2 3.46Å; K407-D415 PolarHBondContact NZ-OD2 2.9Å
408P97.9Very high97Very high47 Ų4759.9 Ų59.931%0.30531%0.311SS..  trans-58.9143.1164.2-21.230.9000111.1E357 G410 I411 A412E357-P408 WeakPolarHBondContact OE2-CA 3.33Å; P408-G410 VanDerWaalsContact C-N 3.27Å; P408-G410 PolarHBondContact O-N 3.03Å; P408-I411 HydrophobicContact CB-CB 4.48Å; P408-I411 HydrophobicContact CB-CD1 4.39Å; P408-I411 HydrophobicContact CB-CG1 4.23Å; P408-I411 HydrophobicContact CG-CD1 3.87Å; P408-I411 HydrophobicContact CG-CG1 4.26Å; P408-I411 PolarHBondContact O-N 3.14Å; P408-A412 PolarHBondContact O-N 2.56Å
409I97.3Very high96.8Very high34 Ų3455.9 Ų55.917%0.17429%0.293CS..Hα-helixtrans-57.3-38.8-175.5-167.1168.4000112.9V356 F365 T366 I411 A412 F413V356-I409 HydrophobicContact CG1-CB 3.58Å; V356-I409 HydrophobicContact CG1-CG1 4Å; F365-I409 HydrophobicContact CD1-CD1 4.17Å; T366-I409 HydrophobicContact CG2-CD1 4.28Å; I409-I411 VanDerWaalsContact C-N 3.34Å; I409-I411 PolarHBondContact O-N 3.27Å; I409-A412 PolarHBondContact O-N 3.04Å; I409-F413 HydrophobicContact CD1-CE1 4.4Å; I409-F413 HydrophobicContact CD1-CE2 4.09Å; I409-F413 HydrophobicContact CD1-CZ 3.74Å; I409-F413 HydrophobicContact CG1-CD1 4.4Å; I409-F413 HydrophobicContact CG1-CD2 4.34Å; I409-F413 HydrophobicContact CG1-CE1 3.92Å; I409-F413 HydrophobicContact CG1-CE2 3.86Å; I409-F413 HydrophobicContact CG1-CZ 3.62Å; I409-F413 WeakPolarHBondContact O-CG 3.35Å; I409-F413 PolarHBondContact O-N 2.98Å
410G97.1Very high96.6Very high49 Ų4949.8 Ų49.851%0.50527%0.267SS..Hα-helixtrans-64.5-36.8176.800000113P408 A414P408-G410 VanDerWaalsContact C-N 3.27Å; P408-G410 PolarHBondContact O-N 3.03Å; G410-A414 WeakPolarHBondContact O-CB 3.45Å; G410-A414 PolarHBondContact O-N 2.9Å
411I97.4Very high96.5Very high83 Ų8352 Ų5243%0.42628%0.277SS..Hα-helixtrans-70.2-44174.3-62.4-174.2000109.8P408 I409 F413 A414 D415P408-I411 HydrophobicContact CB-CB 4.48Å; P408-I411 HydrophobicContact CB-CD1 4.39Å; P408-I411 HydrophobicContact CB-CG1 4.23Å; P408-I411 HydrophobicContact CG-CD1 3.87Å; P408-I411 HydrophobicContact CG-CG1 4.26Å; P408-I411 PolarHBondContact O-N 3.14Å; I409-I411 VanDerWaalsContact C-N 3.34Å; I409-I411 PolarHBondContact O-N 3.27Å; I411-F413 VanDerWaalsContact C-N 3.3Å; I411-F413 PolarHBondContact O-N 2.87Å; I411-A414 PolarHBondContact O-N 3.38Å; I411-A414 VanDerWaalsContact O-N 3.15Å; I411-D415 WeakPolarHBondContact O-CB 3.31Å; I411-D415 VanDerWaalsContact O-CG 3.22Å; I411-D415 PolarHBondContact O-N 3.14Å
412A97.5Very high96.4Very high0 Ų047.3 Ų47.30%026%0.256CS..Hα-helixtrans-60.5-38.6179.400000112.1V356 K407 P408 I409V356-A412 HydrophobicContact CG2-CB 3.73Å; K407-A412 HydrophobicContact CB-CB 4.32Å; P408-A412 PolarHBondContact O-N 2.56Å; I409-A412 PolarHBondContact O-N 3.04Å
413F97.1Very high96.3Very high47 Ų4746.4 Ų46.421%0.20625%0.252CS..Hα-helixtrans-71.1-40.7172.7-68.5-6.8000112.9W326 F365 I409 I411 D415 I416W326-F413 HydrophobicContact CB-CD1 4.08Å; W326-F413 HydrophobicContact CB-CE1 3.8Å; W326-F413 HydrophobicContact CB-CE2 4.35Å; W326-F413 HydrophobicContact CB-CZ 3.94Å; W326-F413 AromaticContact CD1-CD2 3.76Å; W326-F413 AromaticContact CD1-CG 3.65Å; W326-F413 HydrophobicContact CG-CD1 4.44Å; W326-F413 HydrophobicContact CG-CG 4.47Å; W326-F413 VanDerWaalsContact O-CE1 3.26Å; W326-F413 WeakPolarHBondContact O-CE1 3.46Å; F365-F413 HydrophobicContact CE1-CE2 4.39Å; F365-F413 AromaticContact CE1-CZ 3.99Å; F365-F413 HydrophobicContact CE1-CZ 3.99Å; I409-F413 HydrophobicContact CD1-CE1 4.4Å; I409-F413 HydrophobicContact CD1-CE2 4.09Å; I409-F413 HydrophobicContact CD1-CZ 3.74Å; I409-F413 HydrophobicContact CG1-CD1 4.4Å; I409-F413 HydrophobicContact CG1-CD2 4.34Å; I409-F413 HydrophobicContact CG1-CE1 3.92Å; I409-F413 HydrophobicContact CG1-CE2 3.86Å; I409-F413 HydrophobicContact CG1-CZ 3.62Å; I409-F413 WeakPolarHBondContact O-CG 3.35Å; I409-F413 PolarHBondContact O-N 2.98Å; I411-F413 VanDerWaalsContact C-N 3.3Å; I411-F413 PolarHBondContact O-N 2.87Å; F413-D415 PolarHBondContact O-N 3.26Å; F413-I416 WeakPolarHBondContact O-CB 3.43Å; F413-I416 PolarHBondContact O-N 3.02Å
414A96.6Very high96.1Very high41 Ų4143.3 Ų43.334%0.33923%0.232SC..Hα-helixtrans-63-32.7175.700000112.1G410 I411 I416 F417 K418G410-A414 WeakPolarHBondContact O-CB 3.45Å; G410-A414 PolarHBondContact O-N 2.9Å; I411-A414 PolarHBondContact O-N 3.38Å; I411-A414 VanDerWaalsContact O-N 3.15Å; A414-I416 VanDerWaalsContact C-N 3.27Å; A414-I416 PolarHBondContact O-N 2.78Å; A414-F417 PolarHBondContact O-N 3.44Å; A414-K418 WeakPolarHBondContact O-CG 3.26Å; A414-K418 PolarHBondContact O-N 3.24Å
415D95.8Very high95.9Very high25 Ų2546.9 Ų46.913%0.13425%0.25CC..Hα-helixtrans-63.5-31.2178.7-75.9-5000112.4A334 K407 I411 F413 F417 K418 I419A334-D415 HydrophobicContact CB-CB 4.08Å; K407-D415 WeakPolarHBondContact CD-OD2 3.3Å; K407-D415 WeakPolarHBondContact CE-OD2 3.35Å; K407-D415 IonicContact NZ-OD2 3.46Å; K407-D415 PolarHBondContact NZ-OD2 2.9Å; I411-D415 WeakPolarHBondContact O-CB 3.31Å; I411-D415 VanDerWaalsContact O-CG 3.22Å; I411-D415 PolarHBondContact O-N 3.14Å; F413-D415 PolarHBondContact O-N 3.26Å; D415-F417 VanDerWaalsContact C-N 3.33Å; D415-F417 PolarHBondContact O-N 3.1Å; D415-K418 PolarHBondContact O-N 3.01Å; D415-K418 IonicContact OD1-NZ 3.42Å; D415-K418 PolarHBondContact OD1-NZ 3.12Å; D415-I419 WeakPolarHBondContact O-CB 3.29Å; D415-I419 VanDerWaalsContact O-CG2 3.28Å; D415-I419 WeakPolarHBondContact O-CG2 3.43Å; D415-I419 PolarHBondContact O-N 3.35Å
416I94.4Very high95.6Very high4 Ų446.2 Ų46.22%0.02125%0.251CS..Hα-helixtrans-57.2-48.2173.1-62.8169.8000110.3F256 Q329 L333 F413 A414 I419 L420F256-I416 HydrophobicContact CE1-CG2 3.79Å; F256-I416 HydrophobicContact CZ-CG2 3.77Å; Q329-I416 HydrophobicContact CB-CD1 3.91Å; Q329-I416 HydrophobicContact CB-CG1 4.19Å; L333-I416 HydrophobicContact CD2-CB 4.29Å; L333-I416 HydrophobicContact CD2-CG1 4.43Å; L333-I416 HydrophobicContact CD2-CG2 3.78Å; F413-I416 WeakPolarHBondContact O-CB 3.43Å; F413-I416 PolarHBondContact O-N 3.02Å; A414-I416 VanDerWaalsContact C-N 3.27Å; A414-I416 PolarHBondContact O-N 2.78Å; I416-I419 WeakPolarHBondContact O-CG2 3.45Å; I416-L420 HydrophobicContact CG2-CD1 4.16Å; I416-L420 WeakPolarHBondContact O-CD1 3.3Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.46Å; I416-L420 PolarHBondContact O-N 2.91Å
417F94.3Very high95.3Very high76 Ų7643.9 Ų43.933%0.33324%0.236SC..Hα-helixtrans-68.6-43.8178179.6-100.4000111.9H253 F257 A414 D415 I419 L420 K421H253-F417 HydrophobicContact CB-CD2 4.18Å; H253-F417 HydrophobicContact CB-CE2 3.86Å; H253-F417 HydrophobicContact CB-CZ 4.44Å; H253-F417 WeakPolarHBondContact O-CE2 3.46Å; F257-F417 AromaticContact CE2-CD2 3.6Å; F257-F417 HydrophobicContact CE2-CD2 3.6Å; F257-F417 AromaticContact CE2-CE2 3.99Å; F257-F417 HydrophobicContact CE2-CE2 3.99Å; F257-F417 HydrophobicContact CZ-CB 4.38Å; F257-F417 AromaticContact CZ-CD2 3.72Å; F257-F417 HydrophobicContact CZ-CD2 3.72Å; F257-F417 HydrophobicContact CZ-CG 4.45Å; A414-F417 PolarHBondContact O-N 3.44Å; D415-F417 VanDerWaalsContact C-N 3.33Å; D415-F417 PolarHBondContact O-N 3.1Å; F417-I419 PolarHBondContact O-N 3.4Å; F417-L420 PolarHBondContact O-N 2.95Å; F417-K421 HydrophobicContact CE1-CD 4.1Å; F417-K421 HydrophobicContact CZ-CD 4.44Å; F417-K421 WeakPolarHBondContact O-CB 3.49Å; F417-K421 PolarHBondContact O-N 3Å
418K95.1Very high95Very high112 Ų11248.5 Ų48.549%0.48726%0.256SS..Hα-helixtrans-60.1-45.9-179.5-70.5173.6-170.6165.40111.5A414 D415 K421 S422A414-K418 WeakPolarHBondContact O-CG 3.26Å; A414-K418 PolarHBondContact O-N 3.24Å; D415-K418 PolarHBondContact O-N 3.01Å; D415-K418 IonicContact OD1-NZ 3.42Å; D415-K418 PolarHBondContact OD1-NZ 3.12Å; K418-K421 PolarHBondContact O-N 3.24Å; K418-S422 WeakPolarHBondContact O-CB 3.46Å; K418-S422 PolarHBondContact O-N 3.07Å; K418-S422 PolarHBondContact O-OG 2.89Å; K418-S422 VanDerWaalsContact O-OG 3.12Å
419I94.8Very high94.7Very high39 Ų3952.2 Ų52.220%0.227%0.267CS..Hα-helixtrans-67.2-42-178.3-165.663.8000111.2L333 D415 I416 F417 K421 S422 S423L333-I419 HydrophobicContact CB-CG2 4.48Å; L333-I419 HydrophobicContact CD2-CG2 3.69Å; L333-I419 HydrophobicContact CG-CG2 3.77Å; D415-I419 WeakPolarHBondContact O-CB 3.29Å; D415-I419 VanDerWaalsContact O-CG2 3.28Å; D415-I419 WeakPolarHBondContact O-CG2 3.43Å; D415-I419 PolarHBondContact O-N 3.35Å; I416-I419 WeakPolarHBondContact O-CG2 3.45Å; F417-I419 PolarHBondContact O-N 3.4Å; I419-K421 VanDerWaalsContact C-N 3.29Å; I419-K421 PolarHBondContact O-N 3.4Å; I419-S422 WeakPolarHBondContact CA-OG 3.49Å; I419-S422 PolarHBondContact O-N 3.22Å; I419-S422 PolarHBondContact O-OG 2.94Å; I419-S422 VanDerWaalsContact O-OG 3.08Å; I419-S423 WeakPolarHBondContact O-CB 3.45Å; I419-S423 PolarHBondContact O-N 3.03Å; I419-S423 PolarHBondContact O-OG 2.8Å; I419-S423 VanDerWaalsContact O-OG 3.05Å
420L94.4Very high94.3Very high2 Ų250.8 Ų50.81%0.0126%0.26CS..Hα-helixtrans-61.2-39.6174.8-72.6169.3000111.7F226 V228 Q252 H253 F256 L333 I416 F417 A424F226-L420 HydrophobicContact CD1-CD2 4.16Å; V228-L420 HydrophobicContact CG1-CD2 4.03Å; Q252-L420 HydrophobicContact CG-CB 4.27Å; Q252-L420 HydrophobicContact CG-CD2 4.17Å; Q252-L420 WeakPolarHBondContact CG-O 3.48Å; Q252-L420 PolarHBondContact NE2-O 3.44Å; H253-L420 HydrophobicContact CB-CB 3.98Å; F256-L420 HydrophobicContact CB-CD1 3.8Å; F256-L420 HydrophobicContact CD1-CD1 3.84Å; F256-L420 HydrophobicContact CD2-CD1 3.47Å; F256-L420 VanDerWaalsContact CD2-CD1 3.47Å; F256-L420 HydrophobicContact CE1-CD1 4.28Å; F256-L420 HydrophobicContact CE2-CD1 3.94Å; F256-L420 HydrophobicContact CG-CD1 3.41Å; F256-L420 VanDerWaalsContact CG-CD1 3.41Å; F256-L420 HydrophobicContact CZ-CD1 4.32Å; L333-L420 HydrophobicContact CD2-CG 4.38Å; I416-L420 HydrophobicContact CG2-CD1 4.16Å; I416-L420 WeakPolarHBondContact O-CD1 3.3Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.46Å; I416-L420 PolarHBondContact O-N 2.91Å; F417-L420 PolarHBondContact O-N 2.95Å; L420-A424 VanDerWaalsContact O-CB 3.3Å; L420-A424 WeakPolarHBondContact O-CB 3.28Å; L420-A424 PolarHBondContact O-N 3.03Å
421K95.4Very high93.9Very high85 Ų8551.8 Ų51.837%0.3725%0.251SS..Hα-helixtrans-70-48.5177.9-174.4178.9175.2-174.50111.7H253 F417 K418 I419 S423 A424 E425H253-K421 HydrophobicContact CB-CB 3.97Å; F417-K421 HydrophobicContact CE1-CD 4.1Å; F417-K421 HydrophobicContact CZ-CD 4.44Å; F417-K421 WeakPolarHBondContact O-CB 3.49Å; F417-K421 PolarHBondContact O-N 3Å; K418-K421 PolarHBondContact O-N 3.24Å; I419-K421 VanDerWaalsContact C-N 3.29Å; I419-K421 PolarHBondContact O-N 3.4Å; K421-S423 VanDerWaalsContact C-N 3.32Å; K421-S423 PolarHBondContact O-N 3.07Å; K421-A424 VanDerWaalsContact O-CB 3.3Å; K421-A424 WeakPolarHBondContact O-CB 3.41Å; K421-A424 PolarHBondContact O-N 3.42Å; K421-A424 VanDerWaalsContact O-N 3.14Å; K421-E425 WeakPolarHBondContact CE-OE1 3.16Å; K421-E425 WeakPolarHBondContact O-CG 3.48Å; K421-E425 PolarHBondContact O-N 3.38Å
422S94.5Very high93.5Very high54 Ų5450.1 Ų50.138%0.37825%0.246SC..Hα-helixtrans-64.2-38.3178.360.70000111.6K418 I419 A424 E425 L426K418-S422 WeakPolarHBondContact O-CB 3.46Å; K418-S422 PolarHBondContact O-N 3.07Å; K418-S422 PolarHBondContact O-OG 2.89Å; K418-S422 VanDerWaalsContact O-OG 3.12Å; I419-S422 WeakPolarHBondContact CA-OG 3.49Å; I419-S422 PolarHBondContact O-N 3.22Å; I419-S422 PolarHBondContact O-OG 2.94Å; I419-S422 VanDerWaalsContact O-OG 3.08Å; S422-A424 VanDerWaalsContact C-N 3.33Å; S422-E425 PolarHBondContact O-N 2.93Å; S422-L426 VanDerWaalsContact O-CB 3.23Å; S422-L426 WeakPolarHBondContact O-CB 3.1Å; S422-L426 PolarHBondContact O-N 3.37Å
423S93.9Very high93Very high5 Ų554.8 Ų54.84%0.03527%0.268CS..Hα-helixtrans-66.3-35.2174-67.40000112V227 I419 K421 W427V227-S423 VanDerWaalsContact O-CB 3.26Å; V227-S423 WeakPolarHBondContact O-CB 3.45Å; I419-S423 WeakPolarHBondContact O-CB 3.45Å; I419-S423 PolarHBondContact O-N 3.03Å; I419-S423 PolarHBondContact O-OG 2.8Å; I419-S423 VanDerWaalsContact O-OG 3.05Å; K421-S423 VanDerWaalsContact C-N 3.32Å; K421-S423 PolarHBondContact O-N 3.07Å; S423-W427 WeakPolarHBondContact O-CB 3.49Å; S423-W427 PolarHBondContact O-N 3.02Å
424A93.5Very high92.4Very high1 Ų155.4 Ų55.41%0.00827%0.271CS..Hα-helixtrans-63.6-46.5173.400000112.1Y249 Q252 L420 K421 S422 K428Y249-A424 WeakPolarHBondContact O-CB 3.37Å; Q252-A424 HydrophobicContact CG-CB 4.15Å; L420-A424 VanDerWaalsContact O-CB 3.3Å; L420-A424 WeakPolarHBondContact O-CB 3.28Å; L420-A424 PolarHBondContact O-N 3.03Å; K421-A424 VanDerWaalsContact O-CB 3.3Å; K421-A424 WeakPolarHBondContact O-CB 3.41Å; K421-A424 PolarHBondContact O-N 3.42Å; K421-A424 VanDerWaalsContact O-N 3.14Å; S422-A424 VanDerWaalsContact C-N 3.33Å; A424-K428 WeakPolarHBondContact O-CB 3.4Å; A424-K428 PolarHBondContact O-N 3.42Å
425E93.3Very high91.9Very high112 Ų11258.8 Ų58.852%0.52328%0.28SS..Hα-helixtrans-66.1-44.1179.3-71170.8178.500111.5K421 S422 K428 K429K421-E425 WeakPolarHBondContact CE-OE1 3.16Å; K421-E425 WeakPolarHBondContact O-CG 3.48Å; K421-E425 PolarHBondContact O-N 3.38Å; S422-E425 PolarHBondContact O-N 2.93Å; E425-K428 PolarHBondContact O-N 3.25Å; E425-K429 PolarHBondContact O-N 3.42Å
426L91.9Very high91.4Very high55 Ų5564.4 Ų64.429%0.28830%0.303SS..Hα-helixtrans-67.6-42178.2-176.555.8000111.7L233 S422 K428 K429 V430L233-L426 HydrophobicContact CD1-CD2 4.34Å; L233-L426 HydrophobicContact CD1-CG 4.01Å; L233-L426 HydrophobicContact CD2-CB 4.22Å; L233-L426 HydrophobicContact CD2-CD2 3.6Å; L233-L426 HydrophobicContact CD2-CG 3.89Å; S422-L426 VanDerWaalsContact O-CB 3.23Å; S422-L426 WeakPolarHBondContact O-CB 3.1Å; S422-L426 PolarHBondContact O-N 3.37Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 3.45Å; L426-K429 PolarHBondContact O-N 3.41Å; L426-V430 HydrophobicContact CD1-CG2 4.15Å; L426-V430 HydrophobicContact CG-CG2 4.44Å; L426-V430 WeakPolarHBondContact O-CG2 3.41Å; L426-V430 PolarHBondContact O-N 3.42Å
427W91.9Very high90.7Very high9 Ų967.6 Ų67.63%0.03433%0.325CS..Hα-helixtrans-58-46.1173.5177.687.3000111.3H246 Y249 E250 S423 K429 V430 K431H246-W427 AromaticContact CE1-CZ2 3.74Å; Y249-W427 AromaticContact CD2-CD2 3.94Å; Y249-W427 HydrophobicContact CD2-CD2 3.94Å; Y249-W427 AromaticContact CD2-CE2 3.44Å; Y249-W427 VanDerWaalsContact CD2-CE2 3.44Å; Y249-W427 HydrophobicContact CD2-CG 4.3Å; Y249-W427 HydrophobicContact CD2-CH2 4.28Å; Y249-W427 AromaticContact CD2-CZ2 3.63Å; Y249-W427 HydrophobicContact CD2-CZ2 3.63Å; Y249-W427 AromaticContact CD2-NE1 3.51Å; Y249-W427 HydrophobicContact CE2-CZ2 4.33Å; Y249-W427 AromaticContact CE2-NE1 3.97Å; Y249-W427 HydrophobicContact CG-CD2 4.43Å; E250-W427 HydrophobicContact CB-CE3 4.45Å; E250-W427 HydrophobicContact CB-CZ3 4.25Å; E250-W427 WeakPolarHBondContact OE2-CZ3 3.49Å; S423-W427 WeakPolarHBondContact O-CB 3.49Å; S423-W427 PolarHBondContact O-N 3.02Å; W427-K429 VanDerWaalsContact C-N 3.32Å; W427-K429 PolarHBondContact O-N 2.9Å; W427-V430 PolarHBondContact O-N 3.42Å; W427-K431 HydrophobicContact CH2-CD 3.48Å; W427-K431 VanDerWaalsContact CH2-CD 3.48Å; W427-K431 HydrophobicContact CZ2-CD 3.5Å; W427-K431 VanDerWaalsContact CZ2-CD 3.5Å; W427-K431 HydrophobicContact CZ3-CD 4.11Å; W427-K431 WeakPolarHBondContact O-CB 3.47Å; W427-K431 PolarHBondContact O-N 2.73Å
428K90.7Very high90Very high138 Ų13868.9 Ų68.960%0.633%0.334SS*.Hα-helixtrans-59.5-42.5176.5-176.6179.5180179.20111.9A424 E425 L426 C432A424-K428 WeakPolarHBondContact O-CB 3.4Å; A424-K428 PolarHBondContact O-N 3.42Å; E425-K428 PolarHBondContact O-N 3.25Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 3.45Å; K428-C432 WeakPolarHBondContact O-CB 3.48Å; K428-C432 PolarHBondContact O-N 2.97Å
429K91.2Very high89.3Confident125 Ų12569.9 Ų69.954%0.54334%0.338SS..Hα-helixtrans-63.3-51.1177.3180178.2171.5179.60111.4E425 L426 W427 K431 C432 E433E425-K429 PolarHBondContact O-N 3.42Å; L426-K429 PolarHBondContact O-N 3.41Å; W427-K429 VanDerWaalsContact C-N 3.32Å; W427-K429 PolarHBondContact O-N 2.9Å; K429-K431 VanDerWaalsContact C-N 3.32Å; K429-K431 PolarHBondContact O-N 2.89Å; K429-C432 PolarHBondContact O-N 2.8Å; K429-E433 WeakPolarHBondContact CE-OE1 3.33Å; K429-E433 HydrophobicContact CG-CG 4.48Å; K429-E433 IonicContact NZ-OE1 2.78Å; K429-E433 WeakPolarHBondContact O-CG 3.44Å; K429-E433 PolarHBondContact O-N 3.02Å
430V90.5Very high88.6Confident4 Ų474.2 Ų74.22%0.02436%0.355CS..Hα-helixtrans-59.8-44.5-180171.20000110.7L233 R234 A237 L426 W427 C432 E433 Q434L233-V430 HydrophobicContact CD1-CG2 4.05Å; R234-V430 HydrophobicContact CG-CG1 4.37Å; A237-V430 HydrophobicContact CB-CG1 3.86Å; L426-V430 HydrophobicContact CD1-CG2 4.15Å; L426-V430 HydrophobicContact CG-CG2 4.44Å; L426-V430 WeakPolarHBondContact O-CG2 3.41Å; L426-V430 PolarHBondContact O-N 3.42Å; W427-V430 PolarHBondContact O-N 3.42Å; V430-C432 PolarHBondContact O-N 2.86Å; V430-E433 PolarHBondContact O-N 3.49Å; V430-Q434 WeakPolarHBondContact O-CB 3.22Å; V430-Q434 WeakPolarHBondContact O-CG 3.46Å; V430-Q434 PolarHBondContact O-N 3.34Å
431K87.3Confident87.8Confident71 Ų7179.6 Ų79.631%0.30938%0.383SS..Hα-helixtrans-61.1-44.8177-173.7169.9-178.1175.80112W427 K429 Q434 E435W427-K431 HydrophobicContact CH2-CD 3.48Å; W427-K431 VanDerWaalsContact CH2-CD 3.48Å; W427-K431 HydrophobicContact CZ2-CD 3.5Å; W427-K431 VanDerWaalsContact CZ2-CD 3.5Å; W427-K431 HydrophobicContact CZ3-CD 4.11Å; W427-K431 WeakPolarHBondContact O-CB 3.47Å; W427-K431 PolarHBondContact O-N 2.73Å; K429-K431 VanDerWaalsContact C-N 3.32Å; K429-K431 PolarHBondContact O-N 2.89Å; K431-Q434 PolarHBondContact O-N 3.1Å; K431-E435 WeakPolarHBondContact CE-OE1 3.49Å; K431-E435 WeakPolarHBondContact O-CB 3.19Å; K431-E435 VanDerWaalsContact O-CG 3.31Å; K431-E435 WeakPolarHBondContact O-CG 3.19Å; K431-E435 PolarHBondContact O-N 2.77Å
432C88.6Confident86.9Confident48 Ų4881.9 Ų81.932%0.32440%0.399SS..Hα-helixtrans-66.2-38.3177.2-175.10000112.8K428 K429 V430 Q434 E435 K436K428-C432 WeakPolarHBondContact O-CB 3.48Å; K428-C432 PolarHBondContact O-N 2.97Å; K429-C432 PolarHBondContact O-N 2.8Å; V430-C432 PolarHBondContact O-N 2.86Å; C432-Q434 VanDerWaalsContact C-N 3.35Å; C432-E435 PolarHBondContact O-N 3.06Å; C432-K436 WeakPolarHBondContact O-CB 3.35Å; C432-K436 WeakPolarHBondContact O-CG 3.41Å; C432-K436 PolarHBondContact O-N 3.24Å
433E88.8Confident86.3Confident97 Ų9784.8 Ų84.845%0.45341%0.41SS..Hα-helixtrans-63.5-41.9174.4-75.4173.1176.900111.4K429 V430 K436 C437K429-E433 WeakPolarHBondContact CE-OE1 3.33Å; K429-E433 HydrophobicContact CG-CG 4.48Å; K429-E433 IonicContact NZ-OE1 2.78Å; K429-E433 WeakPolarHBondContact O-CG 3.44Å; K429-E433 PolarHBondContact O-N 3.02Å; V430-E433 PolarHBondContact O-N 3.49Å; E433-K436 PolarHBondContact O-N 3.02Å; E433-C437 WeakPolarHBondContact O-CB 3.02Å; E433-C437 PolarHBondContact O-N 2.79Å
434Q84.6Confident85.2Confident61 Ų6192.5 Ų92.529%0.28545%0.451SS..Hα-helixtrans-63.4-45.4174.5-74173.5-33.500111.2A237 V430 K431 C432 K436 C437 M438A237-Q434 PolarHBondContact O-OE1 3.17Å; V430-Q434 WeakPolarHBondContact O-CB 3.22Å; V430-Q434 WeakPolarHBondContact O-CG 3.46Å; V430-Q434 PolarHBondContact O-N 3.34Å; K431-Q434 PolarHBondContact O-N 3.1Å; C432-Q434 VanDerWaalsContact C-N 3.35Å; Q434-K436 PolarHBondContact O-N 3.31Å; Q434-C437 PolarHBondContact O-N 3.4Å; Q434-M438 VanDerWaalsContact O-CB 3.29Å; Q434-M438 WeakPolarHBondContact O-CB 3.4Å; Q434-M438 WeakPolarHBondContact O-CG 3.27Å; Q434-M438 PolarHBondContact O-N 2.78Å
435E84.9Confident84.8Confident112 Ų11297.1 Ų97.152%0.52347%0.473SS..Hα-helixtrans-63.3-39.8176.3-72.7168.117900112.5K431 C432 K439K431-E435 WeakPolarHBondContact CE-OE1 3.49Å; K431-E435 WeakPolarHBondContact O-CB 3.19Å; K431-E435 VanDerWaalsContact O-CG 3.31Å; K431-E435 WeakPolarHBondContact O-CG 3.19Å; K431-E435 PolarHBondContact O-N 2.77Å; C432-E435 PolarHBondContact O-N 3.06Å; E435-K439 WeakPolarHBondContact O-CB 3.49Å; E435-K439 PolarHBondContact O-N 2.99Å
436K84.6Confident84.3Confident142 Ų14296.3 Ų96.362%0.61747%0.471SS*.Hα-helixtrans-70-41.2176-77.4178.2179.9178.30112.7C432 E433 Q434 M438 K439 K440C432-K436 WeakPolarHBondContact O-CB 3.35Å; C432-K436 WeakPolarHBondContact O-CG 3.41Å; C432-K436 PolarHBondContact O-N 3.24Å; E433-K436 PolarHBondContact O-N 3.02Å; Q434-K436 PolarHBondContact O-N 3.31Å; K436-M438 VanDerWaalsContact C-N 3.31Å; K436-K439 PolarHBondContact O-N 2.9Å; K436-K440 WeakPolarHBondContact O-CB 3.4Å; K436-K440 PolarHBondContact O-N 3.42Å
437C81.5Confident83.9Confident72 Ų7298.6 Ų98.649%0.48648%0.481SS..Hα-helixtrans-61.4-46.4174.8-172.50000109.6E433 Q434 K439 K440 L441E433-C437 WeakPolarHBondContact O-CB 3.02Å; E433-C437 PolarHBondContact O-N 2.79Å; Q434-C437 PolarHBondContact O-N 3.4Å; C437-K439 VanDerWaalsContact C-N 3.33Å; C437-K439 PolarHBondContact O-N 3Å; C437-K440 PolarHBondContact O-N 3.25Å; C437-L441 WeakPolarHBondContact O-CB 3.26Å; C437-L441 VanDerWaalsContact O-CG 3.25Å; C437-L441 WeakPolarHBondContact O-CG 3.3Å; C437-L441 PolarHBondContact O-N 2.96Å
438M78.6Confident83.5Confident103 Ų103103.8 Ų103.851%0.50751%0.507SS..Hα-helixtrans-58.5-43.9173.4-75.5-60-54.200111.8Q434 K436 L441 L442Q434-M438 VanDerWaalsContact O-CB 3.29Å; Q434-M438 WeakPolarHBondContact O-CB 3.4Å; Q434-M438 WeakPolarHBondContact O-CG 3.27Å; Q434-M438 PolarHBondContact O-N 2.78Å; K436-M438 VanDerWaalsContact C-N 3.31Å; M438-L441 PolarHBondContact O-N 3.17Å; M438-L442 WeakPolarHBondContact O-CD1 3.15Å; M438-L442 WeakPolarHBondContact O-CG 3.46Å; M438-L442 PolarHBondContact O-N 3.38Å; M438-L442 VanDerWaalsContact O-N 3.16Å
439K80.4Confident83Confident133 Ų133101.7 Ų101.758%0.57850%0.501SS*.Hα-helixtrans-66.2-43.9177.6-169.8-179.6176.7-176.30112.4E435 K436 C437 L441 L442 D443E435-K439 WeakPolarHBondContact O-CB 3.49Å; E435-K439 PolarHBondContact O-N 2.99Å; K436-K439 PolarHBondContact O-N 2.9Å; C437-K439 VanDerWaalsContact C-N 3.33Å; C437-K439 PolarHBondContact O-N 3Å; K439-L441 VanDerWaalsContact C-N 3.33Å; K439-L441 PolarHBondContact O-N 2.85Å; K439-L442 CarbonylContact O-C 3.54Å; K439-L442 WeakPolarHBondContact O-CA 3.46Å; K439-L442 WeakPolarHBondContact O-CB 3.32Å; K439-L442 PolarHBondContact O-N 3.25Å; K439-D443 WeakPolarHBondContact CE-OD2 3.34Å; K439-D443 PolarHBondContact O-N 3.17Å
440K80Confident82.5Confident130 Ų130100.1 Ų100.157%0.56550%0.498SS*.Hα-helixtrans-62.8-40.9177.5-172.8-179.2175.6-172.20111.4K436 C437 L442 D443 D444K436-K440 WeakPolarHBondContact O-CB 3.4Å; K436-K440 PolarHBondContact O-N 3.42Å; C437-K440 PolarHBondContact O-N 3.25Å; K440-L442 PolarHBondContact O-N 3.07Å; K440-D443 PolarHBondContact O-N 2.61Å; K440-D443 VanDerWaalsContact O-N 3.14Å; K440-D444 WeakPolarHBondContact CE-OD2 3.47Å; K440-D444 WeakPolarHBondContact O-CB 3.4Å; K440-D444 PolarHBondContact O-N 3.16Å
441L78Confident81.9Confident114 Ų114107 Ų10760%0.59753%0.532SS*.Hα-helixtrans-64.3-18.3173-73.9168.1000113.6C437 M438 K439C437-L441 WeakPolarHBondContact O-CB 3.26Å; C437-L441 VanDerWaalsContact O-CG 3.25Å; C437-L441 WeakPolarHBondContact O-CG 3.3Å; C437-L441 PolarHBondContact O-N 2.96Å; M438-L441 PolarHBondContact O-N 3.17Å; K439-L441 VanDerWaalsContact C-N 3.33Å; K439-L441 PolarHBondContact O-N 2.85Å
442L76Confident81.5Confident134 Ų134109.8 Ų109.870%0.70255%0.549SS*.Hα-helixtrans-93.9-21.5174.4-68.7167.9000112.6M438 K439 K440M438-L442 WeakPolarHBondContact O-CD1 3.15Å; M438-L442 WeakPolarHBondContact O-CG 3.46Å; M438-L442 PolarHBondContact O-N 3.38Å; M438-L442 VanDerWaalsContact O-N 3.16Å; K439-L442 CarbonylContact O-C 3.54Å; K439-L442 WeakPolarHBondContact O-CA 3.46Å; K439-L442 WeakPolarHBondContact O-CB 3.32Å; K439-L442 PolarHBondContact O-N 3.25Å; K440-L442 PolarHBondContact O-N 3.07Å
443D81.6Confident80.9Confident115 Ų115114.9 Ų114.962%0.61557%0.568SS**Hα-helixtrans-94.7-29.8-179.1-68.8-20.2000112.6K439 K440K439-D443 WeakPolarHBondContact CE-OD2 3.34Å; K439-D443 PolarHBondContact O-N 3.17Å; K440-D443 PolarHBondContact O-N 2.61Å; K440-D443 VanDerWaalsContact O-N 3.14Å
444D71.6Confident80.1Confident166 Ų166116.5 Ų116.589%0.88858%0.579SS**  trans-78.70168.3-68.9-18.7000110.7K440K440-D444 WeakPolarHBondContact CE-OD2 3.47Å; K440-D444 WeakPolarHBondContact O-CB 3.4Å; K440-D444 PolarHBondContact O-N 3.16Å

Retrieved 444 of 444 residues in 1008.4 ms (Link to these results)

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