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5'-deoxynucleotidase HDDC2

Catalyzes the dephosphorylation of the nucleoside 5'-monophosphates deoxyadenosine monophosphate (dAMP), deoxycytidine monophosphate (dCMP), deoxyguanosine monophosphate (dGMP) and deoxythymidine monophosphate (dTMP).

AlphaFold DB , UniProt , Accession A0A5K4EZX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 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
1M57.8Low87.2Confident135 Ų13589.7 Ų89.767%0.66547%0.471SS*.  0141.70-173.3144.1-67.900108.2V6 I105 S106M1-V6 HydrophobicContact SD-CG2 4.13Å; M1-I105 WeakPolarHBondContact CE-O 3.34Å; M1-I105 VanDerWaalsContact SD-C 3.53Å; M1-S106 PolarHBondContact SD-N 2.94Å
2C66.3Low88.1Confident79 Ų7986.1 Ų86.153%0.53445%0.452SS..  trans-89.6132171.2-177.10000108.3S4 N5C2-S4 PolarHBondContact O-N 3.32Å; C2-S4 VanDerWaalsContact SG-CB 3.59Å; C2-N5 PolarHBondContact O-N 3.03Å
3D75.8Confident88.9Confident144 Ų14481.1 Ų81.177%0.7743%0.428SS*.Hα-helixtrans-52.1-25.7177-62-29.3000112.6N5 V6 L7D3-N5 VanDerWaalsContact C-N 3.28Å; D3-N5 PolarHBondContact O-N 2.97Å; D3-V6 PolarHBondContact O-N 2.9Å; D3-L7 PolarHBondContact O-N 3.07Å; D3-L7 VanDerWaalsContact O-N 3.15Å
4S84.1Confident89.6Confident50 Ų5076.6 Ų76.635%0.3541%0.411SS..Hα-helixtrans-58.3-33.7172.7-169.30000113.7C2 L7 R8C2-S4 PolarHBondContact O-N 3.32Å; C2-S4 VanDerWaalsContact SG-CB 3.59Å; S4-L7 PolarHBondContact O-N 2.84Å; S4-R8 WeakPolarHBondContact O-CG 3.14Å; S4-R8 PolarHBondContact O-N 3.48Å
5N92.9Very high90.2Very high49 Ų4977.8 Ų77.826%0.26241%0.411SS..Hα-helixtrans-74.7-39-179.2-69.2-7.4000112.2C2 D3 L7 R8 F9 L104C2-N5 PolarHBondContact O-N 3.03Å; D3-N5 VanDerWaalsContact C-N 3.28Å; D3-N5 PolarHBondContact O-N 2.97Å; N5-L7 VanDerWaalsContact C-N 3.28Å; N5-L7 PolarHBondContact O-N 3.15Å; N5-R8 WeakPolarHBondContact O-CB 3.44Å; N5-R8 PolarHBondContact O-N 3.43Å; N5-R8 VanDerWaalsContact O-N 3.13Å; N5-F9 PolarHBondContact O-N 3.38Å; N5-L104 CarbonylContact C-O 3.42Å; N5-L104 WeakPolarHBondContact CB-O 3.32Å
6V95.6Very high90.7Very high56 Ų5673.3 Ų73.334%0.33939%0.387SS..Hα-helixtrans-62.2-41.1173.2177.60000109.9M1 D3 R8 F9 L10M1-V6 HydrophobicContact SD-CG2 4.13Å; D3-V6 PolarHBondContact O-N 2.9Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 3.32Å; V6-F9 WeakPolarHBondContact O-CB 3.38Å; V6-F9 PolarHBondContact O-N 3.09Å; V6-L10 HydrophobicContact CG1-CD1 4.1Å; V6-L10 HydrophobicContact CG1-CG 4.38Å; V6-L10 WeakPolarHBondContact O-CG 3.35Å; V6-L10 PolarHBondContact O-N 3.26Å
7L96.5Very high91.2Very high99 Ų9977.9 Ų77.952%0.51840%0.404SS..Hα-helixtrans-60.4-41.6174-17860.5000112D3 S4 N5 L10 L11D3-L7 PolarHBondContact O-N 3.07Å; D3-L7 VanDerWaalsContact O-N 3.15Å; S4-L7 PolarHBondContact O-N 2.84Å; N5-L7 VanDerWaalsContact C-N 3.28Å; N5-L7 PolarHBondContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-L11 HydrophobicContact CD1-CD1 4.37Å; L7-L11 HydrophobicContact CD1-CG 4.28Å; L7-L11 HydrophobicContact CG-CD1 4.02Å; L7-L11 HydrophobicContact CG-CG 4.4Å; L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CG 3.33Å; L7-L11 PolarHBondContact O-N 2.91Å
8R97.3Very high91.6Very high138 Ų13883.8 Ų83.852%0.52142%0.42SS..Hα-helixtrans-62.9-43.5175.3-71.6171.1-175-169.70.3112.4S4 N5 V6 L11 L12 L104S4-R8 WeakPolarHBondContact O-CG 3.14Å; S4-R8 PolarHBondContact O-N 3.48Å; N5-R8 WeakPolarHBondContact O-CB 3.44Å; N5-R8 PolarHBondContact O-N 3.43Å; N5-R8 VanDerWaalsContact O-N 3.13Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 3.32Å; R8-L11 PolarHBondContact O-N 2.94Å; R8-L12 WeakPolarHBondContact O-CG 3.32Å; R8-L12 PolarHBondContact O-N 2.98Å; R8-L104 HydrophobicContact CB-CD1 4.17Å; R8-L104 HydrophobicContact CB-CD2 4.44Å
9F97.7Very high91.9Very high22 Ų2280.8 Ų80.810%0.09641%0.406CS..Hα-helixtrans-55.3-53.1173.3171.5-92000110.5N5 V6 L11 L12 C13 L71 L101 L104 I105 I113N5-F9 PolarHBondContact O-N 3.38Å; V6-F9 WeakPolarHBondContact O-CB 3.38Å; V6-F9 PolarHBondContact O-N 3.09Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.41Å; F9-L12 PolarHBondContact O-N 3.24Å; F9-L12 VanDerWaalsContact O-N 3.15Å; F9-C13 PolarHBondContact O-N 3.46Å; F9-C13 PolarHBondContact O-SG 2.9Å; F9-L71 HydrophobicContact CE2-CD2 4.25Å; F9-L71 HydrophobicContact CZ-CD2 4.05Å; F9-L101 HydrophobicContact CD2-CD1 3.75Å; F9-L101 HydrophobicContact CD2-CD2 4.39Å; F9-L101 HydrophobicContact CD2-CG 3.66Å; F9-L101 WeakPolarHBondContact CD2-O 3.29Å; F9-L101 HydrophobicContact CE2-CD1 4.11Å; F9-L101 HydrophobicContact CE2-CD2 3.9Å; F9-L101 HydrophobicContact CE2-CG 3.61Å; F9-L104 HydrophobicContact CB-CB 3.99Å; F9-L104 HydrophobicContact CB-CD1 4.38Å; F9-I105 HydrophobicContact CB-CG2 3.71Å; F9-I105 HydrophobicContact CD1-CG2 3.97Å; F9-I105 HydrophobicContact CD2-CD1 4.31Å; F9-I105 HydrophobicContact CD2-CG2 3.6Å; F9-I105 HydrophobicContact CE2-CD1 3.93Å; F9-I105 HydrophobicContact CE2-CG2 4.18Å; F9-I105 HydrophobicContact CG-CG2 3.48Å; F9-I105 VanDerWaalsContact CG-CG2 3.48Å; F9-I105 HydrophobicContact CZ-CD1 4.36Å; F9-I113 HydrophobicContact CE2-CD1 4.35Å; F9-I113 HydrophobicContact CZ-CD1 3.89Å
10L97.8Very high92.2Very high101 Ų10179.9 Ų79.953%0.52941%0.405SS..Hα-helixtrans-63.7-35.9-179.4-66.1175.1000112.8V6 L7 G14V6-L10 HydrophobicContact CG1-CD1 4.1Å; V6-L10 HydrophobicContact CG1-CG 4.38Å; V6-L10 WeakPolarHBondContact O-CG 3.35Å; V6-L10 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.35Å; L10-G14 PolarHBondContact O-N 3.26Å
11L97.9Very high92.4Very high114 Ų11477.2 Ų77.260%0.59739%0.39SS*.Hα-helixtrans-66-37.8175.1-75.8169.8000112.2L7 R8 F9L7-L11 HydrophobicContact CD1-CD1 4.37Å; L7-L11 HydrophobicContact CD1-CG 4.28Å; L7-L11 HydrophobicContact CG-CD1 4.02Å; L7-L11 HydrophobicContact CG-CG 4.4Å; L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CG 3.33Å; L7-L11 PolarHBondContact O-N 2.91Å; R8-L11 PolarHBondContact O-N 2.94Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.41Å
12L98Very high94.2Very high46 Ų4672.6 Ų72.624%0.24137%0.369CS..Hα-helixtrans-66.5-53.3173.2-73.4174000110.6R8 F9 G14 K15 C74 L101 L104R8-L12 WeakPolarHBondContact O-CG 3.32Å; R8-L12 PolarHBondContact O-N 2.98Å; F9-L12 PolarHBondContact O-N 3.24Å; F9-L12 VanDerWaalsContact O-N 3.15Å; L12-G14 PolarHBondContact O-N 3.34Å; L12-G14 VanDerWaalsContact O-N 3.16Å; L12-K15 HydrophobicContact CD2-CD 4.48Å; L12-K15 VanDerWaalsContact O-CB 3.22Å; L12-K15 WeakPolarHBondContact O-CB 3.23Å; L12-K15 WeakPolarHBondContact O-CG 3.46Å; L12-K15 PolarHBondContact O-N 3.44Å; L12-C74 VanDerWaalsContact O-CB 3.32Å; L12-C74 WeakPolarHBondContact O-CB 3.34Å; L12-L101 HydrophobicContact CB-CD1 3.67Å; L12-L101 HydrophobicContact CD1-CD1 3.79Å; L12-L101 HydrophobicContact CG-CD1 4.4Å; L12-L104 HydrophobicContact CD1-CD1 3.6Å
13C98.5Very high95.6Very high21 Ų2169.4 Ų69.414%0.14235%0.35CS..Hα-helixtrans-56.1-35.3177.3-58.50000111.9F9 K15 L16 L71F9-C13 PolarHBondContact O-N 3.46Å; F9-C13 PolarHBondContact O-SG 2.9Å; C13-K15 PolarHBondContact O-N 3.15Å; C13-L16 WeakPolarHBondContact O-CB 3.49Å; C13-L16 WeakPolarHBondContact O-CG 3.32Å; C13-L16 PolarHBondContact O-N 2.89Å; C13-L71 HydrophobicContact CB-CD1 4.11Å
14G98.4Very high96.6Very high19 Ų1962.7 Ų62.720%0.19631%0.314CS..G310 helixtrans-61.6-12.3176.100000115.1L10 L12 L16L10-G14 PolarHBondContact O-N 3.26Å; L12-G14 PolarHBondContact O-N 3.34Å; L12-G14 VanDerWaalsContact O-N 3.16Å; G14-L16 VanDerWaalsContact C-N 3.3Å
15K98.5Very high97Very high94 Ų9463.3 Ų63.341%0.40932%0.316SS..G310 helixtrans-66.9-30.4169.8-66.6175.6174.4-179.70112.4L12 C13 K17 R18 T19 C74L12-K15 HydrophobicContact CD2-CD 4.48Å; L12-K15 VanDerWaalsContact O-CB 3.22Å; L12-K15 WeakPolarHBondContact O-CB 3.23Å; L12-K15 WeakPolarHBondContact O-CG 3.46Å; L12-K15 PolarHBondContact O-N 3.44Å; C13-K15 PolarHBondContact O-N 3.15Å; K15-K17 PolarHBondContact O-N 3.35Å; K15-K17 VanDerWaalsContact O-N 3.12Å; K15-R18 CarbonylContact O-C 3.47Å; K15-R18 PolarHBondContact O-N 3.22Å; K15-T19 PolarHBondContact O-N 3.36Å; K15-T19 VanDerWaalsContact O-N 3.09Å; K15-T19 PolarHBondContact O-OG1 3.2Å; K15-C74 HydrophobicContact CB-CB 4.36Å; K15-C74 VanDerWaalsContact CD-O 3.25Å; K15-C74 WeakPolarHBondContact CD-O 3.26Å
16L98.7Very high97Very high6 Ų666.8 Ų66.83%0.03133%0.325CS..G310 helixtrans-58.4-27.1178.9-63.8174.3000112.8C13 G14 R18 T19 S34 V35 S36 M39 L71 E73 C74C13-L16 WeakPolarHBondContact O-CB 3.49Å; C13-L16 WeakPolarHBondContact O-CG 3.32Å; C13-L16 PolarHBondContact O-N 2.89Å; G14-L16 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 3.2Å; L16-R18 VanDerWaalsContact O-N 3.1Å; L16-T19 PolarHBondContact O-N 3.1Å; L16-S34 WeakPolarHBondContact O-CB 3.36Å; L16-V35 HydrophobicContact CD2-CB 4.11Å; L16-V35 HydrophobicContact CD2-CG1 3.83Å; L16-S36 PolarHBondContact O-N 3.27Å; L16-M39 HydrophobicContact CD1-CE 4.49Å; L16-M39 HydrophobicContact CD1-SD 4.05Å; L16-L71 HydrophobicContact CD1-CD1 3.96Å; L16-E73 HydrophobicContact CD2-CB 3.87Å; L16-C74 HydrophobicContact CD1-CB 4.46Å; L16-C74 HydrophobicContact CD2-CB 3.9Å; L16-C74 VanDerWaalsContact CD2-N 3.28Å; L16-C74 HydrophobicContact CG-CB 3.85Å
17K98.6Very high96.9Very high152 Ų15266.6 Ų66.666%0.66132%0.319SS*.G310 helixtrans-63.8-9.9172.9-59.2-175.4176.9-1730114.6K15 S36K15-K17 PolarHBondContact O-N 3.35Å; K15-K17 VanDerWaalsContact O-N 3.12Å; K17-S36 VanDerWaalsContact CA-OG 3.25Å; K17-S36 WeakPolarHBondContact CA-OG 3.13Å
18R97.6Very high96.7Very high183 Ų18368.9 Ų68.969%0.69133%0.331SS*.THydrogen-bonded Turntrans-131.6-3.7179.8-64.6-178.8-64.9-77.6-4.5112.4K15 L16 V20K15-R18 CarbonylContact O-C 3.47Å; K15-R18 PolarHBondContact O-N 3.22Å; L16-R18 PolarHBondContact O-N 3.2Å; L16-R18 VanDerWaalsContact O-N 3.1Å; R18-V20 PolarHBondContact O-N 2.96Å
19T97.8Very high96.6Very high28 Ų2863 Ų6317%0.17231%0.31CS..  trans-78104.8171.3-56.80000106.7K15 L16 S34 V35 D78K15-T19 PolarHBondContact O-N 3.36Å; K15-T19 VanDerWaalsContact O-N 3.09Å; K15-T19 PolarHBondContact O-OG1 3.2Å; L16-T19 PolarHBondContact O-N 3.1Å; T19-S34 CarbonylContact O-C 3.6Å; T19-S34 WeakPolarHBondContact O-CA 3.45Å; T19-S34 WeakPolarHBondContact O-CB 3.47Å; T19-V35 HydrophobicContact CG2-CG2 3.69Å; T19-V35 WeakPolarHBondContact O-CG2 3.23Å; T19-V35 PolarHBondContact O-N 3.37Å; T19-D78 HydrophobicContact CG2-CB 4.22Å
20V97.6Very high96.3Very high61 Ų6168.8 Ų68.837%0.3734%0.342SS..BIsolated β-bridgetrans-67.8145175.9-62.50000110R18 T22 T25 P32R18-V20 PolarHBondContact O-N 2.96Å; V20-T22 PolarHBondContact O-N 2.92Å; V20-T25 HydrophobicContact CG2-CG2 3.87Å; V20-P32 HydrophobicContact CB-CG 4.08Å; V20-P32 HydrophobicContact CG1-CG 3.99Å
21R97.8Very high96Very high24 Ų2468.8 Ų68.89%0.09135%0.35CS..  trans-69.1100.4167.3-71.5-89.1-71.8174.7-8.9108.3G23 W24 E33 V35 D78R21-G23 PolarHBondContact O-N 2.78Å; R21-W24 VanDerWaalsContact CB-CD1 3.45Å; R21-W24 PolarHBondContact O-N 3.38Å; R21-E33 HydrophobicContact CB-CG 4.09Å; R21-E33 HydrophobicContact CG-CG 3.99Å; R21-E33 WeakPolarHBondContact CG-OE1 3.25Å; R21-E33 PolarHBondContact N-O 3.22Å; R21-E33 IonicContact NE-OE1 2.73Å; R21-E33 PolarHBondContact NE-OE1 2.96Å; R21-V35 HydrophobicContact CG-CG2 4.33Å; R21-D78 WeakPolarHBondContact CA-OD2 3.39Å
22T96Very high95.9Very high39 Ų3964.7 Ų64.724%0.23933%0.331CS..Hα-helixtrans-53.1-30.2-171.7-60.40000112.3V20 W24 T25 D78 T80V20-T22 PolarHBondContact O-N 2.92Å; T22-W24 PolarHBondContact O-N 3.05Å; T22-T25 PolarHBondContact O-N 3.33Å; T22-T25 VanDerWaalsContact O-N 3.15Å; T22-T25 PolarHBondContact O-OG1 3.25Å; T22-D78 WeakPolarHBondContact CA-OD2 3.43Å; T22-D78 WeakPolarHBondContact CB-OD2 3.37Å; T22-D78 PolarHBondContact N-OD2 3.09Å; T22-D78 PolarHBondContact OG1-O 2.97Å; T22-D78 VanDerWaalsContact OG1-O 3.06Å; T22-D78 PolarHBondContact OG1-OD2 3.45Å; T22-T80 HydrophobicContact CG2-CG2 4.07Å
23G95.2Very high95.9Very high12 Ų1263 Ų6312%0.12432%0.321CS..Hα-helixtrans-50.6-43.6175.200000113.2R21 T25 R26R21-G23 PolarHBondContact O-N 2.78Å; G23-T25 PolarHBondContact O-N 3.14Å; G23-R26 PolarHBondContact O-N 3.23Å
24W96.8Very high96Very high2 Ų262.4 Ų62.41%0.00832%0.318CS..Hα-helixtrans-71.5-29.3-177.1-50.5132.5000113.5R21 T22 R26 Y27 I29 P32 E33 M139 Q142 A143 Y146 L156 F159R21-W24 VanDerWaalsContact CB-CD1 3.45Å; R21-W24 PolarHBondContact O-N 3.38Å; T22-W24 PolarHBondContact O-N 3.05Å; W24-R26 PolarHBondContact O-N 2.99Å; W24-Y27 PolarHBondContact O-N 3.44Å; W24-I29 HydrophobicContact CB-CB 4.07Å; W24-I29 HydrophobicContact CB-CG1 4.06Å; W24-I29 PolarHBondContact O-N 2.7Å; W24-P32 HydrophobicContact CB-CB 3.57Å; W24-P32 HydrophobicContact CG-CB 4.13Å; W24-E33 PolarHBondContact NE1-OE1 2.94Å; W24-M139 HydrophobicContact CH2-CG 3.85Å; W24-M139 WeakPolarHBondContact CH2-O 3.43Å; W24-M139 HydrophobicContact CZ2-CG 3.96Å; W24-Q142 HydrophobicContact CH2-CB 4.41Å; W24-Q142 HydrophobicContact CZ2-CB 3.87Å; W24-Q142 HydrophobicContact CZ2-CG 3.93Å; W24-A143 HydrophobicContact CH2-CB 3.87Å; W24-A143 HydrophobicContact CZ3-CB 4.01Å; W24-Y146 HydrophobicContact CB-CE2 4.49Å; W24-Y146 AromaticContact CD1-CE2 3.99Å; W24-Y146 HydrophobicContact CD2-CD2 4.12Å; W24-Y146 AromaticContact CD2-CE2 3.74Å; W24-Y146 HydrophobicContact CD2-CE2 3.74Å; W24-Y146 AromaticContact CE2-CE2 3.93Å; W24-Y146 HydrophobicContact CE3-CD2 4.1Å; W24-Y146 HydrophobicContact CE3-CE2 4.2Å; W24-Y146 AromaticContact CG-CE2 3.84Å; W24-Y146 HydrophobicContact CG-CE2 3.84Å; W24-Y146 HydrophobicContact CZ3-CD2 4.48Å; W24-L156 HydrophobicContact CE3-CD1 4.32Å; W24-L156 HydrophobicContact CZ3-CD1 4.02Å; W24-F159 HydrophobicContact CE3-CE1 4.21Å; W24-F159 AromaticContact CE3-CE2 3.97Å; W24-F159 HydrophobicContact CE3-CE2 3.97Å; W24-F159 AromaticContact CE3-CZ 3.69Å; W24-F159 HydrophobicContact CE3-CZ 3.69Å; W24-F159 HydrophobicContact CH2-CD1 4.09Å; W24-F159 HydrophobicContact CH2-CE1 4.02Å; W24-F159 HydrophobicContact CH2-CG 4.38Å; W24-F159 HydrophobicContact CH2-CZ 4.26Å; W24-F159 AromaticContact CZ3-CD1 3.99Å; W24-F159 HydrophobicContact CZ3-CD1 3.99Å; W24-F159 AromaticContact CZ3-CD2 3.88Å; W24-F159 HydrophobicContact CZ3-CD2 3.88Å; W24-F159 AromaticContact CZ3-CE1 3.69Å; W24-F159 HydrophobicContact CZ3-CE1 3.69Å; W24-F159 AromaticContact CZ3-CE2 3.57Å; W24-F159 HydrophobicContact CZ3-CE2 3.57Å; W24-F159 HydrophobicContact CZ3-CG 4.07Å; W24-F159 AromaticContact CZ3-CZ 3.47Å; W24-F159 HydrophobicContact CZ3-CZ 3.47Å; W24-F159 VanDerWaalsContact CZ3-CZ 3.47Å
25T93Very high96Very high64 Ų6461.5 Ų61.539%0.39331%0.308SS..Hα-helixtrans-62.5-26.8-179.270.10000112.3V20 T22 G23 Y27 N28V20-T25 HydrophobicContact CG2-CG2 3.87Å; T22-T25 PolarHBondContact O-N 3.33Å; T22-T25 VanDerWaalsContact O-N 3.15Å; T22-T25 PolarHBondContact O-OG1 3.25Å; G23-T25 PolarHBondContact O-N 3.14Å; T25-Y27 PolarHBondContact O-N 3.13Å; T25-N28 PolarHBondContact O-N 3.41Å
26R91.9Very high96Very high121 Ų12158.4 Ų58.446%0.45730%0.299SS..THydrogen-bonded Turntrans-71.9-18.6177.1-64.9175.661.3-139.24.6113.6G23 W24 H82G23-R26 PolarHBondContact O-N 3.23Å; W24-R26 PolarHBondContact O-N 2.99Å; R26-H82 VanDerWaalsContact CZ-CG 3.48Å; R26-H82 PolarHBondContact NH1-CD2 3.44Å; R26-H82 PolarHBondContact NH1-CE1 2.9Å; R26-H82 VanDerWaalsContact NH1-CG 3.34Å; R26-H82 PolarHBondContact NH1-NE2 3.38Å; R26-H82 PolarHBondContact NH2-CE1 2.77Å; R26-H82 PolarHBondContact NH2-ND1 3.21Å
27Y94.1Very high96Very high53 Ų5362.1 Ų62.121%0.20832%0.318CS..THydrogen-bonded Turntrans-106.811.9-179.3-69-88.3000112.5W24 T25 I29 K155 L156 S158 F159W24-Y27 PolarHBondContact O-N 3.44Å; T25-Y27 PolarHBondContact O-N 3.13Å; Y27-I29 PolarHBondContact O-N 3.35Å; Y27-K155 HydrophobicContact CD1-CG 4.42Å; Y27-K155 WeakPolarHBondContact CD1-O 3.33Å; Y27-K155 WeakPolarHBondContact CE1-O 3.38Å; Y27-K155 VanDerWaalsContact O-CE 3.27Å; Y27-K155 WeakPolarHBondContact O-CE 3.41Å; Y27-L156 HydrophobicContact CD1-CD2 3.61Å; Y27-L156 HydrophobicContact CD2-CD2 3.81Å; Y27-L156 HydrophobicContact CE1-CD2 4.2Å; Y27-L156 HydrophobicContact CE2-CD2 4.37Å; Y27-L156 HydrophobicContact CG-CD2 3.39Å; Y27-S158 PolarHBondContact OH-OG 3.01Å; Y27-F159 AromaticContact CD2-CE2 3.66Å; Y27-F159 HydrophobicContact CD2-CE2 3.66Å; Y27-F159 HydrophobicContact CD2-CZ 4.09Å; Y27-F159 HydrophobicContact CE2-CD2 4.33Å; Y27-F159 AromaticContact CE2-CE2 3.32Å; Y27-F159 HydrophobicContact CE2-CE2 3.32Å; Y27-F159 AromaticContact CE2-CZ 3.83Å; Y27-F159 HydrophobicContact CE2-CZ 3.83Å
28N92.3Very high96Very high146 Ų14654.9 Ų54.978%0.78129%0.287SS*.THydrogen-bonded Turntrans5136.5-177.8-57.9-53.1000112.7T25 N30T25-N28 PolarHBondContact O-N 3.41Å; N28-N30 PolarHBondContact O-N 2.86Å
29I94.4Very high96Very high14 Ų1446.7 Ų46.77%0.07226%0.257CS..  trans-63.8127.7173.5-60.2-55.7000108.4W24 Y27 P32 Y146 L156W24-I29 HydrophobicContact CB-CB 4.07Å; W24-I29 HydrophobicContact CB-CG1 4.06Å; W24-I29 PolarHBondContact O-N 2.7Å; Y27-I29 PolarHBondContact O-N 3.35Å; I29-P32 HydrophobicContact CG2-CB 4.38Å; I29-Y146 HydrophobicContact CD1-CD2 4.4Å; I29-Y146 HydrophobicContact CD1-CG 4.26Å; I29-Y146 HydrophobicContact CG1-CD2 4.18Å; I29-Y146 HydrophobicContact CG1-CG 4.46Å; I29-Y146 HydrophobicContact CG2-CD1 3.75Å; I29-Y146 HydrophobicContact CG2-CD2 3.9Å; I29-Y146 HydrophobicContact CG2-CE1 3.67Å; I29-Y146 HydrophobicContact CG2-CE2 3.79Å; I29-Y146 HydrophobicContact CG2-CG 3.89Å; I29-L156 HydrophobicContact CD1-CD1 4.4Å
30N90.8Very high96.1Very high144 Ų14452.6 Ų52.677%0.7728%0.277SS*.SBendtrans-75132175.8-172.126.3000109.5N28N28-N30 PolarHBondContact O-N 2.86Å
31S92.5Very high96.2Very high101 Ų10151.5 Ų51.571%0.70627%0.266SS*.SBendtrans48.760.2-178.2-58.60000113.7
32P96.6Very high96.2Very high29 Ų2950.4 Ų50.419%0.18826%0.262CS..PPolyproline II helixtrans-62.8152-179.629.9-35.6000111.2V20 W24 I29 Y146V20-P32 HydrophobicContact CB-CG 4.08Å; V20-P32 HydrophobicContact CG1-CG 3.99Å; W24-P32 HydrophobicContact CB-CB 3.57Å; W24-P32 HydrophobicContact CG-CB 4.13Å; I29-P32 HydrophobicContact CG2-CB 4.38Å; P32-Y146 WeakPolarHBondContact CA-OH 3.22Å
33E98.1Very high96.3Very high9 Ų949.1 Ų49.14%0.04226%0.255CS..PPolyproline II helixtrans-55.4147.4176.455.9156.8-17200111.2R21 W24 D37 Q142 Y146R21-E33 HydrophobicContact CB-CG 4.09Å; R21-E33 HydrophobicContact CG-CG 3.99Å; R21-E33 WeakPolarHBondContact CG-OE1 3.25Å; R21-E33 PolarHBondContact N-O 3.22Å; R21-E33 IonicContact NE-OE1 2.73Å; R21-E33 PolarHBondContact NE-OE1 2.96Å; W24-E33 PolarHBondContact NE1-OE1 2.94Å; E33-D37 HydrophobicContact CB-CB 4.12Å; E33-Q142 HydrophobicContact CG-CG 3.93Å; E33-Y146 PolarHBondContact N-OH 3.08Å
34S98.7Very high96.5Very high9 Ų952 Ų526%0.06327%0.268CS..BIsolated β-bridgetrans-85160.9169.174.10000110.9L16 T19 S36 D37 H38L16-S34 WeakPolarHBondContact O-CB 3.36Å; T19-S34 CarbonylContact O-C 3.6Å; T19-S34 WeakPolarHBondContact O-CA 3.45Å; T19-S34 WeakPolarHBondContact O-CB 3.47Å; S34-S36 PolarHBondContact O-N 2.99Å; S34-S36 PolarHBondContact OG-N 2.94Å; S34-S36 PolarHBondContact OG-OG 3.18Å; S34-D37 VanDerWaalsContact CB-OD2 3.3Å; S34-D37 WeakPolarHBondContact CB-OD2 3.42Å; S34-D37 PolarHBondContact N-OD2 3.15Å; S34-D37 WeakPolarHBondContact O-CB 3.33Å; S34-D37 PolarHBondContact O-N 2.93Å; S34-D37 PolarHBondContact OG-N 3.27Å; S34-D37 PolarHBondContact OG-OD2 2.62Å; S34-H38 PolarHBondContact O-N 3.11Å
35V98.8Very high96.6Very high0 Ų052.5 Ų52.50%027%0.27CS..Hα-helixtrans-55.9-33.5172.8176.30000111.1L16 T19 R21 H38 M39 D70 E73 D78L16-V35 HydrophobicContact CD2-CB 4.11Å; L16-V35 HydrophobicContact CD2-CG1 3.83Å; T19-V35 HydrophobicContact CG2-CG2 3.69Å; T19-V35 WeakPolarHBondContact O-CG2 3.23Å; T19-V35 PolarHBondContact O-N 3.37Å; R21-V35 HydrophobicContact CG-CG2 4.33Å; V35-H38 WeakPolarHBondContact O-CB 3.32Å; V35-M39 HydrophobicContact CG1-CG 4.35Å; V35-M39 HydrophobicContact CG1-SD 3.71Å; V35-M39 WeakPolarHBondContact O-CG 3.42Å; V35-M39 PolarHBondContact O-N 3.13Å; V35-D70 HydrophobicContact CG1-CB 3.79Å; V35-E73 HydrophobicContact CG1-CB 4.49Å; V35-E73 WeakPolarHBondContact CG1-OE2 3Å; V35-E73 WeakPolarHBondContact CG2-OE2 3.24Å; V35-D78 HydrophobicContact CG2-CB 4.12Å
36S98.6Very high96.9Very high30 Ų3049.4 Ų49.421%0.2125%0.251CS..Hα-helixtrans-72.9-27.4176.4670000114.6L16 K17 S34 Y40L16-S36 PolarHBondContact O-N 3.27Å; K17-S36 VanDerWaalsContact CA-OG 3.25Å; K17-S36 WeakPolarHBondContact CA-OG 3.13Å; S34-S36 PolarHBondContact O-N 2.99Å; S34-S36 PolarHBondContact OG-N 2.94Å; S34-S36 PolarHBondContact OG-OG 3.18Å; S36-Y40 VanDerWaalsContact O-CB 3.27Å; S36-Y40 WeakPolarHBondContact O-CB 3.39Å; S36-Y40 PolarHBondContact O-N 3.35Å
37D98.8Very high97.1Very high83 Ų8347.1 Ų47.144%0.44425%0.251SS..Hα-helixtrans-68.9-46.6175.7-59.1-45.1000109.5E33 S34 Y40 R41E33-D37 HydrophobicContact CB-CB 4.12Å; S34-D37 VanDerWaalsContact CB-OD2 3.3Å; S34-D37 WeakPolarHBondContact CB-OD2 3.42Å; S34-D37 PolarHBondContact N-OD2 3.15Å; S34-D37 WeakPolarHBondContact O-CB 3.33Å; S34-D37 PolarHBondContact O-N 2.93Å; S34-D37 PolarHBondContact OG-N 3.27Å; S34-D37 PolarHBondContact OG-OD2 2.62Å; D37-Y40 WeakPolarHBondContact O-CB 3.39Å; D37-Y40 PolarHBondContact O-N 2.81Å; D37-R41 PolarHBondContact O-N 3.46Å
38H98.7Very high97.3Very high0 Ų049 Ų490%027%0.268CS..Hα-helixtrans-51.9-56171.2169.669.8000112S34 V35 Y40 R41 M42 H69 D70 D135 E138S34-H38 PolarHBondContact O-N 3.11Å; V35-H38 WeakPolarHBondContact O-CB 3.32Å; H38-Y40 VanDerWaalsContact C-N 3.3Å; H38-Y40 PolarHBondContact O-N 3.44Å; H38-R41 PolarHBondContact O-N 2.87Å; H38-M42 PolarHBondContact CE1-SD 3.35Å; H38-M42 PolarHBondContact NE2-SD 3.41Å; H38-M42 WeakPolarHBondContact O-CG 3.35Å; H38-M42 PolarHBondContact O-N 3.41Å; H38-H69 AromaticContact CD2-CE1 3.92Å; H38-H69 AromaticContact NE2-CE1 3.66Å; H38-H69 AromaticContact NE2-NE2 3.56Å; H38-D70 IonicContact CD2-OD2 3.08Å; H38-D70 IonicContact NE2-OD2 3.88Å; H38-D135 IonicContact CE1-OD1 2.86Å; H38-D135 PolarHBondContact CE1-OD1 3.12Å; H38-D135 IonicContact NE2-OD1 3.23Å; H38-D135 PolarHBondContact NE2-OD1 2.84Å; H38-E138 IonicContact CE1-OE2 3.13Å; H38-E138 IonicContact CG-OE2 2.72Å; H38-E138 VanDerWaalsContact ND1-CD 3.32Å; H38-E138 IonicContact ND1-OE2 2.63Å; H38-E138 PolarHBondContact ND1-OE2 2.8Å
39M98.8Very high97.5Very high12 Ų1242.1 Ų42.16%0.05923%0.231CC..Hα-helixtrans-62.9-35.1-179.7-66.6167.174.400112.7L16 V35 A43 I67 D70L16-M39 HydrophobicContact CD1-CE 4.49Å; L16-M39 HydrophobicContact CD1-SD 4.05Å; V35-M39 HydrophobicContact CG1-CG 4.35Å; V35-M39 HydrophobicContact CG1-SD 3.71Å; V35-M39 WeakPolarHBondContact O-CG 3.42Å; V35-M39 PolarHBondContact O-N 3.13Å; M39-A43 PolarHBondContact O-N 3.33Å; M39-I67 WeakPolarHBondContact CE-O 3.32Å; M39-D70 HydrophobicContact CG-CB 4.35Å; M39-D70 HydrophobicContact SD-CB 3.92Å
40Y98.8Very high97.6Very high151 Ų15143.9 Ų43.959%0.59224%0.243SC*.Hα-helixtrans-62.6-49.8174.8163.8-102000111.3S36 D37 H38 M42 A43 L44S36-Y40 VanDerWaalsContact O-CB 3.27Å; S36-Y40 WeakPolarHBondContact O-CB 3.39Å; S36-Y40 PolarHBondContact O-N 3.35Å; D37-Y40 WeakPolarHBondContact O-CB 3.39Å; D37-Y40 PolarHBondContact O-N 2.81Å; H38-Y40 VanDerWaalsContact C-N 3.3Å; H38-Y40 PolarHBondContact O-N 3.44Å; Y40-M42 VanDerWaalsContact C-N 3.31Å; Y40-M42 PolarHBondContact O-N 2.93Å; Y40-A43 WeakPolarHBondContact O-CB 3.39Å; Y40-A43 PolarHBondContact O-N 2.95Å; Y40-A43 VanDerWaalsContact O-N 3.14Å; Y40-L44 HydrophobicContact CD1-CD1 4.26Å; Y40-L44 HydrophobicContact CE1-CD1 3.5Å; Y40-L44 HydrophobicContact CE1-CG 4.21Å; Y40-L44 HydrophobicContact CE2-CD1 4.19Å; Y40-L44 HydrophobicContact CE2-CD2 4.29Å; Y40-L44 HydrophobicContact CE2-CG 4.13Å; Y40-L44 VanDerWaalsContact CZ-CD1 3.48Å; Y40-L44 PolarHBondContact O-N 2.92Å
41R98.8Very high97.7Very high39 Ų3940.9 Ų40.915%0.14724%0.239CC..Hα-helixtrans-67.4-34.2-178.7-165.716656.7-173.6-11.6111.4D37 H38 A43 L44 M45 E138 Q142 E145D37-R41 PolarHBondContact O-N 3.46Å; H38-R41 PolarHBondContact O-N 2.87Å; R41-A43 PolarHBondContact O-N 3.43Å; R41-L44 WeakPolarHBondContact O-CB 3.48Å; R41-L44 PolarHBondContact O-N 3.41Å; R41-M45 HydrophobicContact CG-CE 4.07Å; R41-M45 VanDerWaalsContact O-CG 3.31Å; R41-M45 WeakPolarHBondContact O-CG 3.37Å; R41-M45 PolarHBondContact O-N 2.96Å; R41-E138 HydrophobicContact CB-CG 3.99Å; R41-E138 HydrophobicContact CG-CG 4.3Å; R41-E138 IonicContact CZ-OE1 3.76Å; R41-E138 IonicContact NE-OE1 2.66Å; R41-E138 PolarHBondContact NE-OE1 3.34Å; R41-E138 VanDerWaalsContact NH2-CD 3.35Å; R41-E138 PolarHBondContact NH2-O 2.73Å; R41-E138 IonicContact NH2-OE1 2.7Å; R41-E138 PolarHBondContact NH2-OE1 3.02Å; R41-E138 IonicContact NH2-OE2 3.7Å; R41-Q142 VanDerWaalsContact NH2-CB 3.34Å; R41-E145 IonicContact CZ-OE2 2.65Å; R41-E145 IonicContact NH1-OE1 2.96Å; R41-E145 PolarHBondContact NH1-OE1 3.27Å; R41-E145 IonicContact NH1-OE2 2.73Å; R41-E145 PolarHBondContact NH1-OE2 3.12Å; R41-E145 IonicContact NH2-OE2 2.64Å
42M98.8Very high97.7Very high0 Ų041.9 Ų41.90%024%0.236CC..Hα-helixtrans-61.1-41170.3-70.9177.763.100113.2H38 Y40 L44 M45 A46 A66 H69 C131 F134 D135 E138H38-M42 PolarHBondContact CE1-SD 3.35Å; H38-M42 PolarHBondContact NE2-SD 3.41Å; H38-M42 WeakPolarHBondContact O-CG 3.35Å; H38-M42 PolarHBondContact O-N 3.41Å; Y40-M42 VanDerWaalsContact C-N 3.31Å; Y40-M42 PolarHBondContact O-N 2.93Å; M42-L44 VanDerWaalsContact C-N 3.3Å; M42-L44 PolarHBondContact O-N 3.37Å; M42-M45 WeakPolarHBondContact O-CB 3.31Å; M42-M45 PolarHBondContact O-N 3.5Å; M42-A46 PolarHBondContact O-N 2.89Å; M42-A66 HydrophobicContact CB-CB 3.92Å; M42-A66 HydrophobicContact CE-CB 4.45Å; M42-H69 PolarHBondContact SD-CE1 3.08Å; M42-C131 WeakPolarHBondContact CE-O 3.46Å; M42-F134 HydrophobicContact CE-CB 4.31Å; M42-F134 HydrophobicContact CG-CB 4.44Å; M42-D135 HydrophobicContact CE-CB 3.81Å; M42-D135 HydrophobicContact SD-CB 4.18Å; M42-E138 HydrophobicContact CG-CB 3.98Å; M42-E138 HydrophobicContact CG-CG 3.96Å
43A98.8Very high97.5Very high12 Ų1242.7 Ų42.710%0.09924%0.237CC..Hα-helixtrans-64.8-36.1175.500000111.9M39 Y40 R41 A46 T47 I63 A66 I67M39-A43 PolarHBondContact O-N 3.33Å; Y40-A43 WeakPolarHBondContact O-CB 3.39Å; Y40-A43 PolarHBondContact O-N 2.95Å; Y40-A43 VanDerWaalsContact O-N 3.14Å; R41-A43 PolarHBondContact O-N 3.43Å; A43-A46 PolarHBondContact O-N 3.49Å; A43-T47 PolarHBondContact O-N 2.86Å; A43-T47 PolarHBondContact O-OG1 2.95Å; A43-I63 HydrophobicContact CB-CG2 4.41Å; A43-A66 HydrophobicContact CB-CB 4.42Å; A43-I67 HydrophobicContact CB-CD1 4.34Å; A43-I67 HydrophobicContact CB-CG1 3.89Å
44L98.8Very high97.1Very high74 Ų7446.7 Ų46.739%0.38725%0.252SS..Hα-helixtrans-63.6-46170.6-69.4-177.9000111.7Y40 R41 M42 A46 T47 V48Y40-L44 HydrophobicContact CD1-CD1 4.26Å; Y40-L44 HydrophobicContact CE1-CD1 3.5Å; Y40-L44 HydrophobicContact CE1-CG 4.21Å; Y40-L44 HydrophobicContact CE2-CD1 4.19Å; Y40-L44 HydrophobicContact CE2-CD2 4.29Å; Y40-L44 HydrophobicContact CE2-CG 4.13Å; Y40-L44 VanDerWaalsContact CZ-CD1 3.48Å; Y40-L44 PolarHBondContact O-N 2.92Å; R41-L44 WeakPolarHBondContact O-CB 3.48Å; R41-L44 PolarHBondContact O-N 3.41Å; M42-L44 VanDerWaalsContact C-N 3.3Å; M42-L44 PolarHBondContact O-N 3.37Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 3.41Å; L44-T47 WeakPolarHBondContact O-CA 3.49Å; L44-T47 WeakPolarHBondContact O-CB 3.49Å; L44-T47 PolarHBondContact O-N 2.63Å; L44-V48 WeakPolarHBondContact O-CG2 3.34Å; L44-V48 PolarHBondContact O-N 2.99Å; L44-V48 VanDerWaalsContact O-N 3.14Å
45M98.7Very high96.5Very high11 Ų1154.4 Ų54.45%0.05429%0.287CS..Hα-helixtrans-54.3-45.7176.5-71.7174.8-176.500111.5R41 M42 T47 V48 I49 F134 F137 E138 L141 W175R41-M45 HydrophobicContact CG-CE 4.07Å; R41-M45 VanDerWaalsContact O-CG 3.31Å; R41-M45 WeakPolarHBondContact O-CG 3.37Å; R41-M45 PolarHBondContact O-N 2.96Å; M42-M45 WeakPolarHBondContact O-CB 3.31Å; M42-M45 PolarHBondContact O-N 3.5Å; M45-T47 PolarHBondContact O-N 2.83Å; M45-V48 PolarHBondContact O-N 3.36Å; M45-I49 PolarHBondContact O-N 3.29Å; M45-F134 HydrophobicContact CB-CD1 4.36Å; M45-F134 HydrophobicContact CB-CD2 3.99Å; M45-F134 HydrophobicContact CB-CE1 4.49Å; M45-F134 HydrophobicContact CB-CE2 4.14Å; M45-F134 HydrophobicContact CB-CG 4.12Å; M45-F134 HydrophobicContact CB-CZ 4.39Å; M45-F134 HydrophobicContact SD-CB 4.15Å; M45-F134 HydrophobicContact SD-CD1 4.43Å; M45-F134 HydrophobicContact SD-CG 4.31Å; M45-F137 HydrophobicContact CE-CD1 3.48Å; M45-F137 VanDerWaalsContact CE-CD1 3.48Å; M45-F137 HydrophobicContact CE-CE1 3.78Å; M45-F137 HydrophobicContact SD-CD1 3.84Å; M45-F137 HydrophobicContact SD-CE1 4.48Å; M45-E138 HydrophobicContact CE-CB 3.72Å; M45-E138 HydrophobicContact CE-CG 3.74Å; M45-E138 HydrophobicContact SD-CB 4.14Å; M45-E138 HydrophobicContact SD-CG 4.39Å; M45-L141 HydrophobicContact CE-CD2 4.1Å; M45-W175 HydrophobicContact CB-CH2 4.07Å; M45-W175 HydrophobicContact CB-CZ3 3.85Å; M45-W175 HydrophobicContact CG-CH2 4.33Å; M45-W175 HydrophobicContact CG-CZ3 3.82Å; M45-W175 HydrophobicContact SD-CZ3 4.17Å
46A98.5Very high96Very high0 Ų060.9 Ų60.90%032%0.322CS..Hα-helixtrans-62.4-28.9175.900000113.9M42 A43 L44 L62 I63 F134M42-A46 PolarHBondContact O-N 2.89Å; A43-A46 PolarHBondContact O-N 3.49Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 3.41Å; A46-L62 HydrophobicContact CB-CD2 3.98Å; A46-L62 HydrophobicContact CB-CG 3.76Å; A46-I63 HydrophobicContact CB-CG1 3.64Å; A46-F134 HydrophobicContact CB-CE2 4.11Å
47T97.9Very high95.8Very high72 Ų7261 Ų6144%0.44232%0.32SS..Hα-helixtrans-76.9-28.9178.3-58.70000112.5A43 L44 M45 R54 I63A43-T47 PolarHBondContact O-N 2.86Å; A43-T47 PolarHBondContact O-OG1 2.95Å; L44-T47 WeakPolarHBondContact O-CA 3.49Å; L44-T47 WeakPolarHBondContact O-CB 3.49Å; L44-T47 PolarHBondContact O-N 2.63Å; M45-T47 PolarHBondContact O-N 2.83Å; T47-R54 PolarHBondContact O-NH2 3.11Å; T47-I63 WeakPolarHBondContact OG1-CD1 3.19Å
48V97.3Very high95.7Very high94 Ų9461 Ų6157%0.5732%0.32SS*.SBendtrans-103.713.2-173.3-56.40000114.4L44 M45 W175L44-V48 WeakPolarHBondContact O-CG2 3.34Å; L44-V48 PolarHBondContact O-N 2.99Å; L44-V48 VanDerWaalsContact O-N 3.14Å; M45-V48 PolarHBondContact O-N 3.36Å; V48-W175 HydrophobicContact CG2-CH2 4.45Å
49I97.6Very high95.6Very high1 Ų162.7 Ų62.71%0.00533%0.33CS..  trans-51.9134.4174.6-64.2178.4000110M45 E53 R54 L57 L62 I130 F134 L171M45-I49 PolarHBondContact O-N 3.29Å; I49-E53 HydrophobicContact CG2-CB 3.93Å; I49-R54 HydrophobicContact CB-CG 4.04Å; I49-R54 HydrophobicContact CG2-CG 3.68Å; I49-R54 PolarHBondContact O-NE 2.72Å; I49-R54 PolarHBondContact O-NH2 3.06Å; I49-L57 HydrophobicContact CD1-CD1 4.13Å; I49-L62 HydrophobicContact CD1-CD2 3.47Å; I49-L62 VanDerWaalsContact CD1-CD2 3.47Å; I49-I130 HydrophobicContact CD1-CD1 3.84Å; I49-F134 HydrophobicContact CD1-CE2 3.98Å; I49-F134 HydrophobicContact CD1-CZ 3.82Å; I49-F134 HydrophobicContact CG1-CE2 4.27Å; I49-F134 HydrophobicContact CG1-CZ 3.82Å; I49-L171 HydrophobicContact CG1-CD2 4.13Å; I49-L171 HydrophobicContact CG2-CD2 3.99Å
50P95.6Very high95.6Very high50 Ų5067.6 Ų67.633%0.32536%0.356SS..  trans-59.3145.2175.5-26.937000112.9D52 E53 R54 L171P50-D52 VanDerWaalsContact C-N 3.26Å; P50-D52 WeakPolarHBondContact CB-OD1 3.42Å; P50-D52 PolarHBondContact O-N 2.65Å; P50-E53 HydrophobicContact CB-CG 4.48Å; P50-E53 PolarHBondContact O-N 2.84Å; P50-R54 WeakPolarHBondContact O-CG 3.17Å; P50-R54 PolarHBondContact O-N 3.27Å; P50-L171 HydrophobicContact CG-CD1 4.09Å
51A93.5Very high95.5Very high82 Ų8263.5 Ų63.568%0.67834%0.34SS*.G310 helixtrans-59.4-34.8-173.600000113.6E53 R54A51-E53 VanDerWaalsContact C-N 3.26Å; A51-E53 PolarHBondContact O-N 3.36Å; A51-R54 PolarHBondContact O-N 3.02Å
52D91.7Very high95.5Very high121 Ų12161.7 Ų61.765%0.64733%0.333SS*.G310 helixtrans-67.2-23176.358.2-53.5000113.5P50P50-D52 VanDerWaalsContact C-N 3.26Å; P50-D52 WeakPolarHBondContact CB-OD1 3.42Å; P50-D52 PolarHBondContact O-N 2.65Å
53E92.3Very high95.5Very high46 Ų4663.4 Ų63.422%0.21534%0.342CS..G310 helixtrans-95.9-0.7177.1-61.5-90.5-17000111.7I49 P50 A51 L57 S170 L171 K174I49-E53 HydrophobicContact CG2-CB 3.93Å; P50-E53 HydrophobicContact CB-CG 4.48Å; P50-E53 PolarHBondContact O-N 2.84Å; A51-E53 VanDerWaalsContact C-N 3.26Å; A51-E53 PolarHBondContact O-N 3.36Å; E53-L57 VanDerWaalsContact O-CD1 3.29Å; E53-L57 WeakPolarHBondContact O-CD1 3.28Å; E53-S170 PolarHBondContact OE1-OG 2.94Å; E53-S170 VanDerWaalsContact OE1-OG 3.08Å; E53-L171 HydrophobicContact CG-CD1 4.2Å; E53-K174 IonicContact OE1-NZ 3.91Å; E53-K174 PolarHBondContact OE1-NZ 3.34Å
54R90.3Very high95.5Very high93 Ų9367 Ų6735%0.35136%0.356SS..  trans-94-15.9-177.6-71.2-178.7-163-161-3115.5T47 I49 P50 A51 N56 L57 T59T47-R54 PolarHBondContact O-NH2 3.11Å; I49-R54 HydrophobicContact CB-CG 4.04Å; I49-R54 HydrophobicContact CG2-CG 3.68Å; I49-R54 PolarHBondContact O-NE 2.72Å; I49-R54 PolarHBondContact O-NH2 3.06Å; P50-R54 WeakPolarHBondContact O-CG 3.17Å; P50-R54 PolarHBondContact O-N 3.27Å; A51-R54 PolarHBondContact O-N 3.02Å; R54-N56 PolarHBondContact O-N 2.93Å; R54-L57 PolarHBondContact O-N 3.16Å; R54-T59 HydrophobicContact CG-CG2 4.07Å
55E85.6Confident95.5Very high172 Ų17263.5 Ų63.580%0.80434%0.337SS*.THydrogen-bonded Turntrans-53.6-33.3-163.8-171.2174.9-168.800113.8
56N87.4Confident95.5Very high136 Ų13663 Ų6373%0.72733%0.334SS*.THydrogen-bonded Turntrans-112.520.8-179.2-61-63.9000113.8R54R54-N56 PolarHBondContact O-N 2.93Å
57L95.5Very high95.6Very high33 Ų3367.1 Ų67.117%0.17336%0.356CS..  trans-117.3131.9-178-64.6179.3000111.9I49 E53 R54 T59 P126 E127 I130I49-L57 HydrophobicContact CD1-CD1 4.13Å; E53-L57 VanDerWaalsContact O-CD1 3.29Å; E53-L57 WeakPolarHBondContact O-CD1 3.28Å; R54-L57 PolarHBondContact O-N 3.16Å; L57-T59 PolarHBondContact O-N 3.15Å; L57-P126 HydrophobicContact CD2-CB 3.57Å; L57-E127 WeakPolarHBondContact CA-OE1 3.49Å; L57-I130 HydrophobicContact CD1-CD1 3.72Å; L57-I130 HydrophobicContact CD2-CG2 4.49Å
58N97.3Very high95.6Very high83 Ų8364.3 Ų64.344%0.44434%0.338SS..  trans-8290162.3-173.2-23.6000109.7N60 R61 L62 E127N58-N60 VanDerWaalsContact C-N 3.3Å; N58-N60 PolarHBondContact O-N 2.85Å; N58-N60 PolarHBondContact OD1-N 3.32Å; N58-R61 HydrophobicContact CB-CB 3.9Å; N58-R61 WeakPolarHBondContact O-CB 3.5Å; N58-R61 PolarHBondContact O-N 3Å; N58-R61 VanDerWaalsContact O-N 3.1Å; N58-R61 PolarHBondContact OD1-N 3.39Å; N58-L62 PolarHBondContact O-N 3.25Å; N58-E127 PolarHBondContact N-OE1 3.45Å
59T96.2Very high95.6Very high34 Ų3460 Ų6021%0.20931%0.312CS..Hα-helixtrans-60.6-35.7-177.753.10000113.3R54 L57 R61 L62 I63R54-T59 HydrophobicContact CG-CG2 4.07Å; L57-T59 PolarHBondContact O-N 3.15Å; T59-R61 VanDerWaalsContact C-N 3.33Å; T59-R61 PolarHBondContact O-N 3.33Å; T59-L62 PolarHBondContact O-N 3Å; T59-I63 VanDerWaalsContact O-CG1 3.24Å; T59-I63 WeakPolarHBondContact O-CG1 3.29Å; T59-I63 PolarHBondContact O-N 3.1Å
60N97.4Very high95.7Very high115 Ų11560.5 Ų60.562%0.61532%0.315SS*.Hα-helixtrans-63.5-41175.8-74.8-25000111.5N58 K64N58-N60 VanDerWaalsContact C-N 3.3Å; N58-N60 PolarHBondContact O-N 2.85Å; N58-N60 PolarHBondContact OD1-N 3.32Å; N60-K64 WeakPolarHBondContact O-CG 3.46Å; N60-K64 PolarHBondContact O-N 2.64Å
61R98.3Very high95.8Very high66 Ų6658.7 Ų58.725%0.24930%0.302CS..Hα-helixtrans-65.8-42.9175.3-169.2174.7-175.4712.4111.2N58 T59 K64 M65 L116 E119N58-R61 HydrophobicContact CB-CB 3.9Å; N58-R61 WeakPolarHBondContact O-CB 3.5Å; N58-R61 PolarHBondContact O-N 3Å; N58-R61 VanDerWaalsContact O-N 3.1Å; N58-R61 PolarHBondContact OD1-N 3.39Å; T59-R61 VanDerWaalsContact C-N 3.33Å; T59-R61 PolarHBondContact O-N 3.33Å; R61-K64 PolarHBondContact O-N 3.07Å; R61-M65 WeakPolarHBondContact O-CB 3.25Å; R61-M65 PolarHBondContact O-N 3.3Å; R61-L116 HydrophobicContact CG-CD2 3.58Å; R61-E119 IonicContact CZ-OE2 3.66Å; R61-E119 IonicContact NE-OE1 2.62Å; R61-E119 IonicContact NE-OE2 2.68Å; R61-E119 PolarHBondContact NE-OE2 2.79Å; R61-E119 IonicContact NH2-OE2 2.77Å; R61-E119 PolarHBondContact NH2-OE2 3.19Å
62L98.7Very high96.1Very high0 Ų054.8 Ų54.80%027%0.27CS..Hα-helixtrans-61.8-43176.4178.458.7000112.7A46 I49 N58 T59 M65 A66 E127 I130 C131 F134A46-L62 HydrophobicContact CB-CD2 3.98Å; A46-L62 HydrophobicContact CB-CG 3.76Å; I49-L62 HydrophobicContact CD1-CD2 3.47Å; I49-L62 VanDerWaalsContact CD1-CD2 3.47Å; N58-L62 PolarHBondContact O-N 3.25Å; T59-L62 PolarHBondContact O-N 3Å; L62-M65 WeakPolarHBondContact O-CB 3.32Å; L62-M65 PolarHBondContact O-N 2.94Å; L62-A66 PolarHBondContact O-N 3.05Å; L62-E127 HydrophobicContact CB-CB 4.48Å; L62-E127 HydrophobicContact CB-CG 4.29Å; L62-E127 HydrophobicContact CD1-CB 4.46Å; L62-E127 WeakPolarHBondContact CD1-O 3.48Å; L62-I130 HydrophobicContact CD1-CG2 3.65Å; L62-I130 HydrophobicContact CD2-CD1 4.48Å; L62-I130 HydrophobicContact CD2-CG2 3.58Å; L62-I130 HydrophobicContact CG-CG2 4.26Å; L62-C131 HydrophobicContact CD1-CB 3.58Å; L62-F134 HydrophobicContact CD2-CE2 4.01Å
63I98.8Very high96.4Very high37 Ų3749.2 Ų49.219%0.1924%0.24CC..Hα-helixtrans-60.6-48.6174.7-69.7162.7000110A43 A46 T47 T59 M65 A66 I67A43-I63 HydrophobicContact CB-CG2 4.41Å; A46-I63 HydrophobicContact CB-CG1 3.64Å; T47-I63 WeakPolarHBondContact OG1-CD1 3.19Å; T59-I63 VanDerWaalsContact O-CG1 3.24Å; T59-I63 WeakPolarHBondContact O-CG1 3.29Å; T59-I63 PolarHBondContact O-N 3.1Å; I63-M65 VanDerWaalsContact C-N 3.29Å; I63-M65 PolarHBondContact O-N 3.37Å; I63-A66 PolarHBondContact O-N 3.23Å; I63-I67 HydrophobicContact CG2-CD1 3.81Å; I63-I67 VanDerWaalsContact O-CG1 3.29Å; I63-I67 WeakPolarHBondContact O-CG1 3.22Å; I63-I67 PolarHBondContact O-N 3.37Å; I63-I67 VanDerWaalsContact O-N 3.1Å
64K98.8Very high96.7Very high88 Ų8847.3 Ų47.338%0.38323%0.232SC..Hα-helixtrans-60.7-39.5176.6-71.6-173.4178.4-169.20111.7N60 R61 I67 V68 E112 L116N60-K64 WeakPolarHBondContact O-CG 3.46Å; N60-K64 PolarHBondContact O-N 2.64Å; R61-K64 PolarHBondContact O-N 3.07Å; K64-I67 PolarHBondContact O-N 2.97Å; K64-V68 WeakPolarHBondContact O-CG2 3.32Å; K64-V68 PolarHBondContact O-N 3.25Å; K64-E112 IonicContact NZ-OE1 3.48Å; K64-E112 PolarHBondContact NZ-OE1 3.36Å; K64-E112 IonicContact NZ-OE2 3.6Å; K64-E112 PolarHBondContact NZ-OE2 3.4Å; K64-L116 HydrophobicContact CB-CD1 3.61Å; K64-L116 HydrophobicContact CB-CD2 4.36Å; K64-L116 HydrophobicContact CD-CD1 4.36Å
65M98.9Very high97.1Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-61-48.5176.6-169.9-178.6-68.400111.4R61 L62 I63 I67 V68 H69 L116 E119 Y120 E127 A128 C131R61-M65 WeakPolarHBondContact O-CB 3.25Å; R61-M65 PolarHBondContact O-N 3.3Å; L62-M65 WeakPolarHBondContact O-CB 3.32Å; L62-M65 PolarHBondContact O-N 2.94Å; I63-M65 VanDerWaalsContact C-N 3.29Å; I63-M65 PolarHBondContact O-N 3.37Å; M65-I67 PolarHBondContact O-N 3.39Å; M65-V68 PolarHBondContact O-N 2.82Å; M65-H69 WeakPolarHBondContact O-CB 3.37Å; M65-H69 PolarHBondContact O-N 2.72Å; M65-L116 HydrophobicContact CB-CD2 4.11Å; M65-E119 HydrophobicContact CE-CB 3.96Å; M65-E119 VanDerWaalsContact CE-CD 3.41Å; M65-E119 HydrophobicContact CE-CG 3.63Å; M65-E119 WeakPolarHBondContact CE-OE1 3.31Å; M65-Y120 HydrophobicContact CG-CD2 4.25Å; M65-Y120 HydrophobicContact CG-CG 4.5Å; M65-Y120 HydrophobicContact SD-CD2 4.11Å; M65-Y120 HydrophobicContact SD-CG 4.5Å; M65-E127 HydrophobicContact CE-CB 4.05Å; M65-A128 HydrophobicContact CE-CB 4.42Å; M65-A128 HydrophobicContact SD-CB 4.29Å; M65-C131 HydrophobicContact CG-CB 4.42Å; M65-C131 HydrophobicContact SD-CB 3.76Å
66A98.9Very high97.6Very high0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-56.7-39.417600000112.2M42 A43 L62 I63 V68 H69M42-A66 HydrophobicContact CB-CB 3.92Å; M42-A66 HydrophobicContact CE-CB 4.45Å; A43-A66 HydrophobicContact CB-CB 4.42Å; L62-A66 PolarHBondContact O-N 3.05Å; I63-A66 PolarHBondContact O-N 3.23Å; A66-V68 VanDerWaalsContact C-N 3.29Å; A66-V68 PolarHBondContact O-N 3.38Å; A66-H69 PolarHBondContact O-ND1 2.82Å
67I98.8Very high98.1Very high86 Ų8634.4 Ų34.444%0.44118%0.182SC..Hα-helixtrans-70.3-17.7178.7-67166.2000113.4M39 A43 I63 K64 M65M39-I67 WeakPolarHBondContact CE-O 3.32Å; A43-I67 HydrophobicContact CB-CD1 4.34Å; A43-I67 HydrophobicContact CB-CG1 3.89Å; I63-I67 HydrophobicContact CG2-CD1 3.81Å; I63-I67 VanDerWaalsContact O-CG1 3.29Å; I63-I67 WeakPolarHBondContact O-CG1 3.22Å; I63-I67 PolarHBondContact O-N 3.37Å; I63-I67 VanDerWaalsContact O-N 3.1Å; K64-I67 PolarHBondContact O-N 2.97Å; M65-I67 PolarHBondContact O-N 3.39Å
68V98.5Very high98.2Very high13 Ų1333.5 Ų33.58%0.07918%0.177CC..Hα-helixtrans-121.9-8.5-175.1-53.90000114.9K64 M65 A66 D70 L71 I113 L116K64-V68 WeakPolarHBondContact O-CG2 3.32Å; K64-V68 PolarHBondContact O-N 3.25Å; M65-V68 PolarHBondContact O-N 2.82Å; A66-V68 VanDerWaalsContact C-N 3.29Å; A66-V68 PolarHBondContact O-N 3.38Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.5Å; V68-L71 HydrophobicContact CB-CB 4.47Å; V68-L71 HydrophobicContact CB-CD2 4.47Å; V68-L71 WeakPolarHBondContact O-CB 3.39Å; V68-L71 PolarHBondContact O-N 3.04Å; V68-I113 HydrophobicContact CB-CG2 4.36Å; V68-I113 HydrophobicContact CG1-CG1 4.39Å; V68-I113 HydrophobicContact CG1-CG2 4.41Å; V68-L116 HydrophobicContact CG2-CB 3.73Å; V68-L116 HydrophobicContact CG2-CD1 4.2Å
69H98.7Very high98.1Very high3 Ų330.2 Ų30.21%0.01416%0.16CC..THydrogen-bonded Turntrans-60.1-41.4-170.282.3-79.1000113.3H38 M42 M65 A66 Y120H38-H69 AromaticContact CD2-CE1 3.92Å; H38-H69 AromaticContact NE2-CE1 3.66Å; H38-H69 AromaticContact NE2-NE2 3.56Å; M42-H69 PolarHBondContact SD-CE1 3.08Å; M65-H69 WeakPolarHBondContact O-CB 3.37Å; M65-H69 PolarHBondContact O-N 2.72Å; A66-H69 PolarHBondContact O-ND1 2.82Å; H69-Y120 HydrophobicContact CB-CD1 3.85Å; H69-Y120 HydrophobicContact CB-CD2 3.86Å; H69-Y120 HydrophobicContact CB-CE1 3.91Å; H69-Y120 HydrophobicContact CB-CE2 3.9Å; H69-Y120 HydrophobicContact CB-CG 3.82Å; H69-Y120 AromaticContact CD2-CE1 3.78Å; H69-Y120 AromaticContact CD2-CE2 3.92Å; H69-Y120 AromaticContact CD2-CZ 3.37Å; H69-Y120 PolarHBondContact CD2-OH 3.47Å; H69-Y120 AromaticContact CG-CZ 3.91Å
70D98.6Very high98Very high12 Ų1229.4 Ų29.46%0.06416%0.155CC..THydrogen-bonded Turntrans-100.218.6176.6-78.1-10000113.3V35 H38 M39 V68 A72 E73V35-D70 HydrophobicContact CG1-CB 3.79Å; H38-D70 IonicContact CD2-OD2 3.08Å; H38-D70 IonicContact NE2-OD2 3.88Å; M39-D70 HydrophobicContact CG-CB 4.35Å; M39-D70 HydrophobicContact SD-CB 3.92Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.5Å; D70-A72 PolarHBondContact O-N 3.35Å; D70-A72 VanDerWaalsContact O-N 3.1Å; D70-E73 HydrophobicContact CB-CG 4.13Å; D70-E73 WeakPolarHBondContact O-CB 3.44Å; D70-E73 WeakPolarHBondContact O-CG 3.34Å; D70-E73 PolarHBondContact O-N 3.14Å
71L98.5Very high97.7Very high12 Ų1229.9 Ų29.96%0.06316%0.164CC..THydrogen-bonded Turntrans-60.1-29.6-177.5-163.168.1000112.5F9 C13 L16 V68 E73 C74 M98 L101 I113F9-L71 HydrophobicContact CE2-CD2 4.25Å; F9-L71 HydrophobicContact CZ-CD2 4.05Å; C13-L71 HydrophobicContact CB-CD1 4.11Å; L16-L71 HydrophobicContact CD1-CD1 3.96Å; V68-L71 HydrophobicContact CB-CB 4.47Å; V68-L71 HydrophobicContact CB-CD2 4.47Å; V68-L71 WeakPolarHBondContact O-CB 3.39Å; V68-L71 PolarHBondContact O-N 3.04Å; L71-E73 PolarHBondContact O-N 2.61Å; L71-C74 PolarHBondContact O-N 3.28Å; L71-C74 PolarHBondContact O-SG 3.05Å; L71-M98 HydrophobicContact CB-CE 4.39Å; L71-M98 HydrophobicContact CB-SD 3.96Å; L71-M98 HydrophobicContact CD2-CE 4.33Å; L71-L101 HydrophobicContact CB-CD2 4.45Å; L71-L101 HydrophobicContact CD1-CD2 4.38Å; L71-L101 HydrophobicContact CD2-CD2 3.44Å; L71-L101 VanDerWaalsContact CD2-CD2 3.44Å; L71-L101 HydrophobicContact CG-CD2 3.42Å; L71-L101 VanDerWaalsContact CG-CD2 3.42Å; L71-I113 HydrophobicContact CD2-CG2 4.15Å
72A98.5Very high97.3Very high1 Ų132.6 Ų32.61%0.00818%0.18CC..THydrogen-bonded Turntrans-59.3-28176.300000113.4D70 C74 I75 V76 E94 A97 M98D70-A72 PolarHBondContact O-N 3.35Å; D70-A72 VanDerWaalsContact O-N 3.1Å; A72-C74 PolarHBondContact O-N 3.09Å; A72-C74 VanDerWaalsContact O-N 3.11Å; A72-I75 PolarHBondContact O-N 3.26Å; A72-V76 PolarHBondContact O-N 3.28Å; A72-V76 VanDerWaalsContact O-N 3.08Å; A72-E94 HydrophobicContact CB-CB 3.86Å; A72-E94 HydrophobicContact CB-CG 3.92Å; A72-A97 HydrophobicContact CB-CB 4.11Å; A72-M98 HydrophobicContact CB-CG 3.91Å; A72-M98 HydrophobicContact CB-SD 3.95Å
73E98.6Very high97.1Very high3 Ų335.5 Ų35.51%0.01420%0.199CC..Hα-helixtrans-68.3-11.7-176-57.9-163.2162.400112.9L16 V35 D70 L71 I75 G77 D78L16-E73 HydrophobicContact CD2-CB 3.87Å; V35-E73 HydrophobicContact CG1-CB 4.49Å; V35-E73 WeakPolarHBondContact CG1-OE2 3Å; V35-E73 WeakPolarHBondContact CG2-OE2 3.24Å; D70-E73 HydrophobicContact CB-CG 4.13Å; D70-E73 WeakPolarHBondContact O-CB 3.44Å; D70-E73 WeakPolarHBondContact O-CG 3.34Å; D70-E73 PolarHBondContact O-N 3.14Å; L71-E73 PolarHBondContact O-N 2.61Å; E73-I75 PolarHBondContact O-N 3.06Å; E73-G77 VanDerWaalsContact O-CA 3.31Å; E73-G77 WeakPolarHBondContact O-CA 3.44Å; E73-G77 PolarHBondContact O-N 3.27Å; E73-D78 WeakPolarHBondContact OE2-CA 3.41Å; E73-D78 WeakPolarHBondContact OE2-CB 3.44Å
74C98.2Very high96.8Very high6 Ų637.3 Ų37.34%0.04123%0.227CC..Hα-helixtrans-65.9-17.1169.677.30000113L12 K15 L16 L71 A72L12-C74 VanDerWaalsContact O-CB 3.32Å; L12-C74 WeakPolarHBondContact O-CB 3.34Å; K15-C74 HydrophobicContact CB-CB 4.36Å; K15-C74 VanDerWaalsContact CD-O 3.25Å; K15-C74 WeakPolarHBondContact CD-O 3.26Å; L16-C74 HydrophobicContact CD1-CB 4.46Å; L16-C74 HydrophobicContact CD2-CB 3.9Å; L16-C74 VanDerWaalsContact CD2-N 3.28Å; L16-C74 HydrophobicContact CG-CB 3.85Å; L71-C74 PolarHBondContact O-N 3.28Å; L71-C74 PolarHBondContact O-SG 3.05Å; A72-C74 PolarHBondContact O-N 3.09Å; A72-C74 VanDerWaalsContact O-N 3.11Å
75I98.2Very high96.7Very high67 Ų6734.5 Ų34.534%0.34422%0.217SC..Hα-helixtrans-113.1-48.6176.8-65.7166.4000110.6A72 E73 A97 Q100 L101A72-I75 PolarHBondContact O-N 3.26Å; E73-I75 PolarHBondContact O-N 3.06Å; I75-A97 HydrophobicContact CB-CB 3.8Å; I75-A97 HydrophobicContact CD1-CB 3.95Å; I75-A97 WeakPolarHBondContact CD1-O 3.15Å; I75-A97 HydrophobicContact CG1-CB 4.45Å; I75-A97 HydrophobicContact CG2-CB 3.95Å; I75-Q100 HydrophobicContact CD1-CB 4.34Å; I75-L101 HydrophobicContact CD1-CB 4.32Å
76V97.9Very high96.5Very high36 Ų3637 Ų3722%0.21824%0.235CC..Hα-helixtrans-87.5-12.5-172.3-55.40000114.1A72 I79 R93 E94 A97A72-V76 PolarHBondContact O-N 3.28Å; A72-V76 VanDerWaalsContact O-N 3.08Å; V76-I79 HydrophobicContact CB-CD1 4.18Å; V76-I79 HydrophobicContact CG2-CD1 4.24Å; V76-R93 HydrophobicContact CG1-CB 3.97Å; V76-E94 HydrophobicContact CG2-CG 4.08Å; V76-A97 HydrophobicContact CG1-CB 3.72Å
77G97.1Very high96.3Very high27 Ų2745.6 Ų45.628%0.27827%0.272SS..  trans73.4170.6-169.200000112.7E73 I79E73-G77 VanDerWaalsContact O-CA 3.31Å; E73-G77 WeakPolarHBondContact O-CA 3.44Å; E73-G77 PolarHBondContact O-N 3.27Å; G77-I79 PolarHBondContact O-N 3.32Å; G77-I79 VanDerWaalsContact O-N 3.15Å
78D97.4Very high96.2Very high14 Ų1448.1 Ų48.18%0.07528%0.282CS..  trans-75.6100.4175.2173.148.7000110.3T19 R21 T22 V35 E73T19-D78 HydrophobicContact CG2-CB 4.22Å; R21-D78 WeakPolarHBondContact CA-OD2 3.39Å; T22-D78 WeakPolarHBondContact CA-OD2 3.43Å; T22-D78 WeakPolarHBondContact CB-OD2 3.37Å; T22-D78 PolarHBondContact N-OD2 3.09Å; T22-D78 PolarHBondContact OG1-O 2.97Å; T22-D78 VanDerWaalsContact OG1-O 3.06Å; T22-D78 PolarHBondContact OG1-OD2 3.45Å; V35-D78 HydrophobicContact CG2-CB 4.12Å; E73-D78 WeakPolarHBondContact OE2-CA 3.41Å; E73-D78 WeakPolarHBondContact OE2-CB 3.44Å
79I96.2Very high96.2Very high14 Ų1451.4 Ų51.47%0.07230%0.297CS..  trans-90.1110.3-178.7-61.4175000109.3V76 G77 C83 V85 K90V76-I79 HydrophobicContact CB-CD1 4.18Å; V76-I79 HydrophobicContact CG2-CD1 4.24Å; G77-I79 PolarHBondContact O-N 3.32Å; G77-I79 VanDerWaalsContact O-N 3.15Å; I79-C83 HydrophobicContact CG2-CB 4.17Å; I79-V85 HydrophobicContact CG2-CB 3.8Å; I79-V85 HydrophobicContact CG2-CG1 4.21Å; I79-V85 HydrophobicContact CG2-CG2 4.12Å; I79-K90 HydrophobicContact CB-CD 4.37Å; I79-K90 HydrophobicContact CB-CG 4.29Å; I79-K90 HydrophobicContact CD1-CG 4.48Å; I79-K90 HydrophobicContact CG2-CD 4.28Å; I79-K90 HydrophobicContact CG2-CG 4.21Å; I79-K90 WeakPolarHBondContact O-CE 3.45Å
80T93.8Very high96.1Very high18 Ų1854 Ų5411%0.1131%0.308CS..  trans-95.4166177.972.60000112T22 H82 C83T22-T80 HydrophobicContact CG2-CG2 4.07Å; T80-H82 PolarHBondContact O-N 2.88Å; T80-H82 PolarHBondContact OG1-N 3.1Å; T80-C83 PolarHBondContact N-SG 3.12Å; T80-C83 VanDerWaalsContact N-SG 3.38Å; T80-C83 WeakPolarHBondContact O-CB 3.38Å; T80-C83 PolarHBondContact O-N 3.43Å; T80-C83 PolarHBondContact OG1-SG 3.01Å; T80-C83 VanDerWaalsContact OG1-SG 3.37Å
81P90.3Very high96.1Very high125 Ų12556.7 Ų56.781%0.81232%0.322SS*.THydrogen-bonded Turntrans-56.3-18173.3-27.136.5000114.7
82H91Very high96.1Very high122 Ų12259.2 Ų59.257%0.56534%0.341SS*.THydrogen-bonded Turntrans-91.9-4.1-179.8-61.3-78.3000113.7R26 T80 G84R26-H82 VanDerWaalsContact CZ-CG 3.48Å; R26-H82 PolarHBondContact NH1-CD2 3.44Å; R26-H82 PolarHBondContact NH1-CE1 2.9Å; R26-H82 VanDerWaalsContact NH1-CG 3.34Å; R26-H82 PolarHBondContact NH1-NE2 3.38Å; R26-H82 PolarHBondContact NH2-CE1 2.77Å; R26-H82 PolarHBondContact NH2-ND1 3.21Å; T80-H82 PolarHBondContact O-N 2.88Å; T80-H82 PolarHBondContact OG1-N 3.1Å; H82-G84 PolarHBondContact O-N 3.37Å
83C92.8Very high96.1Very high62 Ų6264.3 Ų64.342%0.41936%0.36SS..SBendtrans-79-3.5178.4-64.10000113.5I79 T80 V85I79-C83 HydrophobicContact CG2-CB 4.17Å; T80-C83 PolarHBondContact N-SG 3.12Å; T80-C83 VanDerWaalsContact N-SG 3.38Å; T80-C83 WeakPolarHBondContact O-CB 3.38Å; T80-C83 PolarHBondContact O-N 3.43Å; T80-C83 PolarHBondContact OG1-SG 3.01Å; T80-C83 VanDerWaalsContact OG1-SG 3.37Å; C83-V85 HydrophobicContact CB-CG2 4.47Å; C83-V85 PolarHBondContact O-N 3.38Å
84G93.9Very high96.1Very high75 Ų7565 Ų6577%0.77336%0.363SS*.SBendtrans72.511.6179.700000114.9H82H82-G84 PolarHBondContact O-N 3.37Å
85V95.5Very high96.1Very high28 Ų2869.6 Ų69.617%0.1738%0.382CS..  trans-93.7129.7176.1-179.30000108.7I79 C83 E89 K90I79-V85 HydrophobicContact CG2-CB 3.8Å; I79-V85 HydrophobicContact CG2-CG1 4.21Å; I79-V85 HydrophobicContact CG2-CG2 4.12Å; C83-V85 HydrophobicContact CB-CG2 4.47Å; C83-V85 PolarHBondContact O-N 3.38Å; V85-E89 HydrophobicContact CG1-CB 3.84Å; V85-E89 HydrophobicContact CG1-CG 3.84Å; V85-K90 HydrophobicContact CG1-CB 4.22Å
86S96.3Very high96.1Very high54 Ų5469.6 Ų69.638%0.37838%0.383SS..  trans-68.1162.6178.694.60000111.4E88 E89 K90S86-E88 VanDerWaalsContact C-N 3.29Å; S86-E88 WeakPolarHBondContact CB-OE2 3.16Å; S86-E88 PolarHBondContact O-N 3.38Å; S86-E88 PolarHBondContact OG-N 3.25Å; S86-E88 PolarHBondContact OG-OE2 2.95Å; S86-E89 PolarHBondContact O-N 2.63Å; S86-E89 PolarHBondContact OG-N 3.28Å; S86-E89 VanDerWaalsContact OG-N 3.12Å; S86-K90 WeakPolarHBondContact O-CB 3.34Å; S86-K90 PolarHBondContact O-N 2.98Å
87K94.3Very high96.1Very high180 Ų18068 Ų6878%0.78337%0.373SS*.Hα-helixtrans-62.5-39177.1-71-176.9177.8-1800111.9L91K87-L91 WeakPolarHBondContact O-CB 3.24Å; K87-L91 PolarHBondContact O-N 3.28Å
88E96.8Very high96.2Very high138 Ų13866.7 Ų66.765%0.64536%0.36SS*.Hα-helixtrans-66.8-41.8178.8-57.270.2-148.900110.8S86 S92S86-E88 VanDerWaalsContact C-N 3.29Å; S86-E88 WeakPolarHBondContact CB-OE2 3.16Å; S86-E88 PolarHBondContact O-N 3.38Å; S86-E88 PolarHBondContact OG-N 3.25Å; S86-E88 PolarHBondContact OG-OE2 2.95Å; E88-S92 WeakPolarHBondContact O-CB 3.37Å; E88-S92 PolarHBondContact O-N 3.12Å
89E97.7Very high96.2Very high83 Ų8370.2 Ų70.239%0.38837%0.374SS..Hα-helixtrans-68.8-44.2176.5-173.4178.6-178.200111.6V85 S86 L91 S92 R93V85-E89 HydrophobicContact CG1-CB 3.84Å; V85-E89 HydrophobicContact CG1-CG 3.84Å; S86-E89 PolarHBondContact O-N 2.63Å; S86-E89 PolarHBondContact OG-N 3.28Å; S86-E89 VanDerWaalsContact OG-N 3.12Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 2.77Å; E89-S92 PolarHBondContact O-N 2.75Å; E89-R93 HydrophobicContact CG-CG 4.43Å; E89-R93 VanDerWaalsContact O-CG 3.32Å; E89-R93 WeakPolarHBondContact O-CG 3.37Å; E89-R93 PolarHBondContact O-N 2.92Å; E89-R93 IonicContact OE1-CZ 2.77Å; E89-R93 VanDerWaalsContact OE1-CZ 3.23Å; E89-R93 IonicContact OE1-NE 3.36Å; E89-R93 PolarHBondContact OE1-NE 3.1Å; E89-R93 VanDerWaalsContact OE1-NE 3.13Å; E89-R93 IonicContact OE1-NH2 3.44Å; E89-R93 PolarHBondContact OE1-NH2 2.86Å
90K97.2Very high96.3Very high56 Ų5674.9 Ų74.924%0.24340%0.396CS..Hα-helixtrans-53.5-52.6173.6-177.3-175.5-163-91.90109.8I79 V85 S86 S92 R93 E94I79-K90 HydrophobicContact CB-CD 4.37Å; I79-K90 HydrophobicContact CB-CG 4.29Å; I79-K90 HydrophobicContact CD1-CG 4.48Å; I79-K90 HydrophobicContact CG2-CD 4.28Å; I79-K90 HydrophobicContact CG2-CG 4.21Å; I79-K90 WeakPolarHBondContact O-CE 3.45Å; V85-K90 HydrophobicContact CG1-CB 4.22Å; S86-K90 WeakPolarHBondContact O-CB 3.34Å; S86-K90 PolarHBondContact O-N 2.98Å; K90-S92 VanDerWaalsContact C-N 3.32Å; K90-S92 PolarHBondContact O-N 3.2Å; K90-R93 PolarHBondContact O-N 3.3Å; K90-E94 VanDerWaalsContact CE-OE1 3.24Å; K90-E94 WeakPolarHBondContact CE-OE1 3.43Å; K90-E94 HydrophobicContact CG-CG 4.43Å; K90-E94 WeakPolarHBondContact CG-OE1 3.34Å; K90-E94 IonicContact NZ-OE1 3.39Å; K90-E94 PolarHBondContact NZ-OE1 3.42Å; K90-E94 WeakPolarHBondContact O-CB 3.25Å; K90-E94 WeakPolarHBondContact O-CG 3.19Å; K90-E94 PolarHBondContact O-N 2.99Å
91L97.4Very high96.4Very high70 Ų7074 Ų7437%0.36639%0.391SS..Hα-helixtrans-60.8-40179.8178.160000112.4K87 E89 K95 W117 V121K87-L91 WeakPolarHBondContact O-CB 3.24Å; K87-L91 PolarHBondContact O-N 3.28Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 2.77Å; L91-K95 VanDerWaalsContact O-CB 3.26Å; L91-K95 WeakPolarHBondContact O-CB 3.46Å; L91-K95 PolarHBondContact O-N 3.37Å; L91-W117 HydrophobicContact CD1-CH2 3.65Å; L91-W117 HydrophobicContact CD1-CZ2 3.9Å; L91-V121 HydrophobicContact CD1-CB 4.46Å; L91-V121 HydrophobicContact CD1-CG1 3.57Å; L91-V121 HydrophobicContact CD1-CG2 4.01Å; L91-V121 HydrophobicContact CD2-CG1 4.23Å
92S98.4Very high96.7Very high65 Ų6568.1 Ų68.146%0.45535%0.352SS..Hα-helixtrans-63.4-46.6176.4-168.20000111.6E88 E89 K90 K95 D96E88-S92 WeakPolarHBondContact O-CB 3.37Å; E88-S92 PolarHBondContact O-N 3.12Å; E89-S92 PolarHBondContact O-N 2.75Å; K90-S92 VanDerWaalsContact C-N 3.32Å; K90-S92 PolarHBondContact O-N 3.2Å; S92-K95 PolarHBondContact O-N 3.3Å; S92-D96 PolarHBondContact O-N 3.23Å; S92-D96 VanDerWaalsContact O-N 3.1Å
93R98.4Very high97Very high108 Ų10868.9 Ų68.941%0.40836%0.356SS..Hα-helixtrans-62.3-45.2178.3-68.8175.3-178.6-1603.8111.1V76 E89 K90 D96 A97V76-R93 HydrophobicContact CG1-CB 3.97Å; E89-R93 HydrophobicContact CG-CG 4.43Å; E89-R93 VanDerWaalsContact O-CG 3.32Å; E89-R93 WeakPolarHBondContact O-CG 3.37Å; E89-R93 PolarHBondContact O-N 2.92Å; E89-R93 IonicContact OE1-CZ 2.77Å; E89-R93 VanDerWaalsContact OE1-CZ 3.23Å; E89-R93 IonicContact OE1-NE 3.36Å; E89-R93 PolarHBondContact OE1-NE 3.1Å; E89-R93 VanDerWaalsContact OE1-NE 3.13Å; E89-R93 IonicContact OE1-NH2 3.44Å; E89-R93 PolarHBondContact OE1-NH2 2.86Å; K90-R93 PolarHBondContact O-N 3.3Å; R93-D96 PolarHBondContact O-N 3.06Å; R93-A97 WeakPolarHBondContact O-CB 3.34Å; R93-A97 PolarHBondContact O-N 2.93Å
94E98.6Very high97.2Very high17 Ų1767.5 Ų67.58%0.07934%0.344CS..Hα-helixtrans-62.7-43.7177.4-73.6172.7177.900111.8A72 V76 K90 D96 A97 M98 W117A72-E94 HydrophobicContact CB-CB 3.86Å; A72-E94 HydrophobicContact CB-CG 3.92Å; V76-E94 HydrophobicContact CG2-CG 4.08Å; K90-E94 VanDerWaalsContact CE-OE1 3.24Å; K90-E94 WeakPolarHBondContact CE-OE1 3.43Å; K90-E94 HydrophobicContact CG-CG 4.43Å; K90-E94 WeakPolarHBondContact CG-OE1 3.34Å; K90-E94 IonicContact NZ-OE1 3.39Å; K90-E94 PolarHBondContact NZ-OE1 3.42Å; K90-E94 WeakPolarHBondContact O-CB 3.25Å; K90-E94 WeakPolarHBondContact O-CG 3.19Å; K90-E94 PolarHBondContact O-N 2.99Å; E94-D96 VanDerWaalsContact C-N 3.31Å; E94-D96 PolarHBondContact O-N 3.43Å; E94-A97 PolarHBondContact O-N 3.3Å; E94-M98 WeakPolarHBondContact O-CB 3.45Å; E94-M98 VanDerWaalsContact O-CG 3.31Å; E94-M98 WeakPolarHBondContact O-CG 3.11Å; E94-M98 PolarHBondContact O-N 3.1Å; E94-W117 HydrophobicContact CB-CZ2 3.81Å
95K98.6Very high97.3Very high103 Ų10364.5 Ų64.545%0.44831%0.31SS..Hα-helixtrans-58.9-43.4177.3-173.1177.7-177177.60111.8L91 S92 M98 K99 W117L91-K95 VanDerWaalsContact O-CB 3.26Å; L91-K95 WeakPolarHBondContact O-CB 3.46Å; L91-K95 PolarHBondContact O-N 3.37Å; S92-K95 PolarHBondContact O-N 3.3Å; K95-M98 PolarHBondContact O-N 3.31Å; K95-K99 WeakPolarHBondContact O-CG 3.49Å; K95-K99 PolarHBondContact O-N 2.97Å; K95-W117 HydrophobicContact CB-CH2 3.73Å; K95-W117 HydrophobicContact CB-CZ3 4.28Å; K95-W117 HydrophobicContact CG-CH2 4.19Å; K95-W117 HydrophobicContact CG-CZ3 4.25Å
96D98.6Very high97.3Very high67 Ų6764.8 Ų64.836%0.35831%0.314SS..Hα-helixtrans-73.5-33.7-179.8-70.1-22.5000112.2S92 R93 E94 K99 Q100S92-D96 PolarHBondContact O-N 3.23Å; S92-D96 VanDerWaalsContact O-N 3.1Å; R93-D96 PolarHBondContact O-N 3.06Å; E94-D96 VanDerWaalsContact C-N 3.31Å; E94-D96 PolarHBondContact O-N 3.43Å; D96-K99 IonicContact OD1-NZ 3.81Å; D96-K99 PolarHBondContact OD1-NZ 3.34Å; D96-Q100 WeakPolarHBondContact O-CG 2.82Å; D96-Q100 PolarHBondContact O-N 3.42Å; D96-Q100 VanDerWaalsContact O-N 3.09Å; D96-Q100 PolarHBondContact O-NE2 3.2Å
97A98.5Very high97.2Very high1 Ų168.7 Ų68.71%0.00833%0.326CS..Hα-helixtrans-63.1-44.8169.300000112.2A72 I75 V76 R93 E94 K99 Q100 L101A72-A97 HydrophobicContact CB-CB 4.11Å; I75-A97 HydrophobicContact CB-CB 3.8Å; I75-A97 HydrophobicContact CD1-CB 3.95Å; I75-A97 WeakPolarHBondContact CD1-O 3.15Å; I75-A97 HydrophobicContact CG1-CB 4.45Å; I75-A97 HydrophobicContact CG2-CB 3.95Å; V76-A97 HydrophobicContact CG1-CB 3.72Å; R93-A97 WeakPolarHBondContact O-CB 3.34Å; R93-A97 PolarHBondContact O-N 2.93Å; E94-A97 PolarHBondContact O-N 3.3Å; A97-K99 PolarHBondContact O-N 2.96Å; A97-Q100 PolarHBondContact O-N 2.78Å; A97-L101 VanDerWaalsContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CB 3.44Å; A97-L101 PolarHBondContact O-N 3.47Å
98M98.6Very high97.3Very high0 Ų067.6 Ų67.60%032%0.324CS..Hα-helixtrans-61.9-41.8177.3-73.6-57.7-67.500112L71 A72 E94 K95 L101 C102 I113 M114 W117L71-M98 HydrophobicContact CB-CE 4.39Å; L71-M98 HydrophobicContact CB-SD 3.96Å; L71-M98 HydrophobicContact CD2-CE 4.33Å; A72-M98 HydrophobicContact CB-CG 3.91Å; A72-M98 HydrophobicContact CB-SD 3.95Å; E94-M98 WeakPolarHBondContact O-CB 3.45Å; E94-M98 VanDerWaalsContact O-CG 3.31Å; E94-M98 WeakPolarHBondContact O-CG 3.11Å; E94-M98 PolarHBondContact O-N 3.1Å; K95-M98 PolarHBondContact O-N 3.31Å; M98-L101 PolarHBondContact O-N 2.93Å; M98-C102 VanDerWaalsContact O-CB 3.32Å; M98-C102 WeakPolarHBondContact O-CB 3.44Å; M98-C102 PolarHBondContact O-N 3.04Å; M98-C102 PolarHBondContact O-SG 3.49Å; M98-I113 HydrophobicContact CE-CG2 3.54Å; M98-M114 HydrophobicContact CB-CE 4.4Å; M98-M114 HydrophobicContact CB-SD 3.77Å; M98-W117 HydrophobicContact CE-CB 3.84Å; M98-W117 HydrophobicContact CE-CG 3.92Å; M98-W117 HydrophobicContact CG-CD2 3.89Å; M98-W117 HydrophobicContact CG-CG 3.96Å; M98-W117 HydrophobicContact CG-CZ2 4.44Å; M98-W117 HydrophobicContact SD-CG 4.36Å
99K98Very high97.3Very high88 Ų8864.6 Ų64.638%0.38331%0.312SS..Hα-helixtrans-59.5-52.5173.9-72.3170.8-170.4159.70111.6K95 D96 A97 L101 C102 E103 M114K95-K99 WeakPolarHBondContact O-CG 3.49Å; K95-K99 PolarHBondContact O-N 2.97Å; D96-K99 IonicContact OD1-NZ 3.81Å; D96-K99 PolarHBondContact OD1-NZ 3.34Å; A97-K99 PolarHBondContact O-N 2.96Å; K99-L101 VanDerWaalsContact C-N 3.28Å; K99-L101 PolarHBondContact O-N 2.98Å; K99-C102 PolarHBondContact O-N 2.65Å; K99-E103 WeakPolarHBondContact O-CG 3.35Å; K99-E103 PolarHBondContact O-N 3.27Å; K99-M114 HydrophobicContact CG-CE 4.47Å
100Q97.1Very high97.3Very high112 Ų11265 Ų6552%0.52331%0.31SS..Hα-helixtrans-57.5-42.7179.6-74.6174.960.200111.8I75 D96 A97I75-Q100 HydrophobicContact CD1-CB 4.34Å; D96-Q100 WeakPolarHBondContact O-CG 2.82Å; D96-Q100 PolarHBondContact O-N 3.42Å; D96-Q100 VanDerWaalsContact O-N 3.09Å; D96-Q100 PolarHBondContact O-NE2 3.2Å; A97-Q100 PolarHBondContact O-N 2.78Å
101L97Very high97.3Very high0 Ų065.4 Ų65.40%032%0.317CS..Hα-helixtrans-66.9-46.2179.3-173.467.2000111.3F9 L12 L71 I75 A97 M98 K99 E103 L104F9-L101 HydrophobicContact CD2-CD1 3.75Å; F9-L101 HydrophobicContact CD2-CD2 4.39Å; F9-L101 HydrophobicContact CD2-CG 3.66Å; F9-L101 WeakPolarHBondContact CD2-O 3.29Å; F9-L101 HydrophobicContact CE2-CD1 4.11Å; F9-L101 HydrophobicContact CE2-CD2 3.9Å; F9-L101 HydrophobicContact CE2-CG 3.61Å; L12-L101 HydrophobicContact CB-CD1 3.67Å; L12-L101 HydrophobicContact CD1-CD1 3.79Å; L12-L101 HydrophobicContact CG-CD1 4.4Å; L71-L101 HydrophobicContact CB-CD2 4.45Å; L71-L101 HydrophobicContact CD1-CD2 4.38Å; L71-L101 HydrophobicContact CD2-CD2 3.44Å; L71-L101 VanDerWaalsContact CD2-CD2 3.44Å; L71-L101 HydrophobicContact CG-CD2 3.42Å; L71-L101 VanDerWaalsContact CG-CD2 3.42Å; I75-L101 HydrophobicContact CD1-CB 4.32Å; A97-L101 VanDerWaalsContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CB 3.44Å; A97-L101 PolarHBondContact O-N 3.47Å; M98-L101 PolarHBondContact O-N 2.93Å; K99-L101 VanDerWaalsContact C-N 3.28Å; K99-L101 PolarHBondContact O-N 2.98Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.45Å; L101-L104 WeakPolarHBondContact O-CB 3.12Å; L101-L104 PolarHBondContact O-N 2.68Å
102C97Very high97.4Very high1 Ų165.3 Ų65.31%0.00732%0.315CS..Hα-helixtrans-77.4-13.3-175.4-59.40000113.9M98 K99 L104 I105 R110 M114M98-C102 VanDerWaalsContact O-CB 3.32Å; M98-C102 WeakPolarHBondContact O-CB 3.44Å; M98-C102 PolarHBondContact O-N 3.04Å; M98-C102 PolarHBondContact O-SG 3.49Å; K99-C102 PolarHBondContact O-N 2.65Å; C102-L104 PolarHBondContact O-N 2.95Å; C102-I105 HydrophobicContact CB-CD1 4.36Å; C102-I105 HydrophobicContact CB-CG1 4.4Å; C102-I105 VanDerWaalsContact O-CG1 3.23Å; C102-I105 WeakPolarHBondContact O-CG1 3.31Å; C102-I105 PolarHBondContact O-N 2.81Å; C102-R110 HydrophobicContact CB-CB 4.06Å; C102-R110 HydrophobicContact CB-CG 3.71Å; C102-M114 HydrophobicContact CB-CG 4.28Å; C102-M114 HydrophobicContact CB-SD 4.39Å
103E96Very high97.4Very high138 Ų13863.4 Ų63.465%0.64530%0.299SS*.THydrogen-bonded Turntrans-63.5-18.7168.6-80.7172.8-173.400113K99 L101K99-E103 WeakPolarHBondContact O-CG 3.35Å; K99-E103 PolarHBondContact O-N 3.27Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.45Å
104L96.6Very high97.4Very high33 Ų3360.2 Ų60.217%0.17329%0.29CS..THydrogen-bonded Turntrans-83.9-7.8-179.6-59.2172.4000113.6N5 R8 F9 L12 L101 C102N5-L104 CarbonylContact C-O 3.42Å; N5-L104 WeakPolarHBondContact CB-O 3.32Å; R8-L104 HydrophobicContact CB-CD1 4.17Å; R8-L104 HydrophobicContact CB-CD2 4.44Å; F9-L104 HydrophobicContact CB-CB 3.99Å; F9-L104 HydrophobicContact CB-CD1 4.38Å; L12-L104 HydrophobicContact CD1-CD1 3.6Å; L101-L104 WeakPolarHBondContact O-CB 3.12Å; L101-L104 PolarHBondContact O-N 2.68Å; C102-L104 PolarHBondContact O-N 2.95Å
105I96.4Very high97.4Very high12 Ų1263.3 Ų63.36%0.06231%0.307CS..SBendtrans-124.5167.7-174.258.6175.6000111.6M1 F9 C102 N109 R110 I113M1-I105 WeakPolarHBondContact CE-O 3.34Å; M1-I105 VanDerWaalsContact SD-C 3.53Å; F9-I105 HydrophobicContact CB-CG2 3.71Å; F9-I105 HydrophobicContact CD1-CG2 3.97Å; F9-I105 HydrophobicContact CD2-CD1 4.31Å; F9-I105 HydrophobicContact CD2-CG2 3.6Å; F9-I105 HydrophobicContact CE2-CD1 3.93Å; F9-I105 HydrophobicContact CE2-CG2 4.18Å; F9-I105 HydrophobicContact CG-CG2 3.48Å; F9-I105 VanDerWaalsContact CG-CG2 3.48Å; F9-I105 HydrophobicContact CZ-CD1 4.36Å; C102-I105 HydrophobicContact CB-CD1 4.36Å; C102-I105 HydrophobicContact CB-CG1 4.4Å; C102-I105 VanDerWaalsContact O-CG1 3.23Å; C102-I105 WeakPolarHBondContact O-CG1 3.31Å; C102-I105 PolarHBondContact O-N 2.81Å; I105-N109 HydrophobicContact CB-CB 4.34Å; I105-N109 HydrophobicContact CD1-CB 3.91Å; I105-N109 HydrophobicContact CG1-CB 4.3Å; I105-R110 HydrophobicContact CG1-CB 4.2Å; I105-I113 HydrophobicContact CD1-CD1 3.68Å
106S95.3Very high97.4Very high34 Ų3458.5 Ų58.524%0.23829%0.286CS..  trans-59.4154.5-173.562.60000111.3M1 E108 N109 R110M1-S106 PolarHBondContact SD-N 2.94Å; S106-E108 PolarHBondContact O-N 2.88Å; S106-N109 PolarHBondContact O-N 3.41Å; S106-N109 VanDerWaalsContact O-N 3.14Å; S106-N109 WeakPolarHBondContact OG-CB 3.48Å; S106-N109 PolarHBondContact OG-N 2.87Å; S106-N109 PolarHBondContact OG-ND2 2.84Å; S106-R110 VanDerWaalsContact O-CB 3.25Å; S106-R110 WeakPolarHBondContact O-CB 3.49Å; S106-R110 PolarHBondContact O-N 3.07Å
107E95.5Very high97.4Very high136 Ų13655.9 Ų55.964%0.63627%0.271SS*.Hα-helixtrans-54.9-40.8178.8171156.9-131.700112.6R110 T111E107-R110 VanDerWaalsContact CG-NH2 3.34Å; E107-R110 IonicContact OE1-NH2 2.9Å; E107-R110 PolarHBondContact OE1-NH2 2.98Å; E107-R110 VanDerWaalsContact OE1-NH2 3.07Å; E107-T111 WeakPolarHBondContact O-CB 3.22Å; E107-T111 PolarHBondContact O-N 3.47Å; E107-T111 PolarHBondContact O-OG1 3.46Å
108E96.5Very high97.4Very high158 Ų15860.9 Ų60.974%0.73829%0.293SS*.Hα-helixtrans-60.1-53.4174.3-175.2-179.9-179.800111.9S106 R110 T111 E112S106-E108 PolarHBondContact O-N 2.88Å; E108-R110 PolarHBondContact O-N 3.22Å; E108-T111 PolarHBondContact O-N 3.17Å; E108-E112 PolarHBondContact O-N 3.19Å
109N96.4Very high97.4Very high74 Ų7462.1 Ų62.140%0.39630%0.299SS..Hα-helixtrans-66.2-39.1-179-68.6-14.9000112.1I105 S106 T111 E112 I113I105-N109 HydrophobicContact CB-CB 4.34Å; I105-N109 HydrophobicContact CD1-CB 3.91Å; I105-N109 HydrophobicContact CG1-CB 4.3Å; S106-N109 PolarHBondContact O-N 3.41Å; S106-N109 VanDerWaalsContact O-N 3.14Å; S106-N109 WeakPolarHBondContact OG-CB 3.48Å; S106-N109 PolarHBondContact OG-N 2.87Å; S106-N109 PolarHBondContact OG-ND2 2.84Å; N109-T111 VanDerWaalsContact C-N 3.32Å; N109-E112 PolarHBondContact O-N 3.06Å; N109-I113 WeakPolarHBondContact O-CB 3.47Å; N109-I113 WeakPolarHBondContact O-CG1 3.17Å; N109-I113 PolarHBondContact O-N 3.24Å
110R97.1Very high97.5Very high92 Ų9258.6 Ų58.635%0.34728%0.283SS..Hα-helixtrans-58.4-46.2173.6167.8-179.966.7156.32.2110.5C102 I105 S106 E107 E108 M114C102-R110 HydrophobicContact CB-CB 4.06Å; C102-R110 HydrophobicContact CB-CG 3.71Å; I105-R110 HydrophobicContact CG1-CB 4.2Å; S106-R110 VanDerWaalsContact O-CB 3.25Å; S106-R110 WeakPolarHBondContact O-CB 3.49Å; S106-R110 PolarHBondContact O-N 3.07Å; E107-R110 VanDerWaalsContact CG-NH2 3.34Å; E107-R110 IonicContact OE1-NH2 2.9Å; E107-R110 PolarHBondContact OE1-NH2 2.98Å; E107-R110 VanDerWaalsContact OE1-NH2 3.07Å; E108-R110 PolarHBondContact O-N 3.22Å; R110-M114 HydrophobicContact CG-CG 4.34Å; R110-M114 VanDerWaalsContact O-CB 3.23Å; R110-M114 WeakPolarHBondContact O-CB 3.3Å; R110-M114 WeakPolarHBondContact O-CG 3.44Å; R110-M114 PolarHBondContact O-N 3.03Å
111T98.3Very high97.5Very high64 Ų6455.5 Ų55.539%0.39327%0.271SS..Hα-helixtrans-63.1-49179.5-56.30000110.1E107 E108 N109 I113 M114 D115E107-T111 WeakPolarHBondContact O-CB 3.22Å; E107-T111 PolarHBondContact O-N 3.47Å; E107-T111 PolarHBondContact O-OG1 3.46Å; E108-T111 PolarHBondContact O-N 3.17Å; N109-T111 VanDerWaalsContact C-N 3.32Å; T111-I113 PolarHBondContact O-N 3.01Å; T111-M114 PolarHBondContact O-N 3.23Å; T111-D115 WeakPolarHBondContact O-CB 3.18Å; T111-D115 VanDerWaalsContact O-CG 3.23Å; T111-D115 PolarHBondContact O-N 2.95Å
112E98.3Very high97.6Very high69 Ų6958.2 Ų58.232%0.32229%0.286SS..Hα-helixtrans-59.4-48.4179.3-177.2172.1-139.100112.5K64 E108 N109 D115 L116K64-E112 IonicContact NZ-OE1 3.48Å; K64-E112 PolarHBondContact NZ-OE1 3.36Å; K64-E112 IonicContact NZ-OE2 3.6Å; K64-E112 PolarHBondContact NZ-OE2 3.4Å; E108-E112 PolarHBondContact O-N 3.19Å; N109-E112 PolarHBondContact O-N 3.06Å; E112-D115 PolarHBondContact O-N 3.48Å; E112-L116 HydrophobicContact CG-CD1 4Å; E112-L116 WeakPolarHBondContact O-CB 3.49Å; E112-L116 VanDerWaalsContact O-CG 3.28Å; E112-L116 WeakPolarHBondContact O-CG 3.49Å; E112-L116 PolarHBondContact O-N 3Å
113I98.7Very high97.6Very high24 Ų2461.1 Ų61.112%0.12330%0.299CS..Hα-helixtrans-65.8-43.2-179.2-68.7-178.6000111.4F9 V68 L71 M98 I105 N109 T111 D115 L116 W117F9-I113 HydrophobicContact CE2-CD1 4.35Å; F9-I113 HydrophobicContact CZ-CD1 3.89Å; V68-I113 HydrophobicContact CB-CG2 4.36Å; V68-I113 HydrophobicContact CG1-CG1 4.39Å; V68-I113 HydrophobicContact CG1-CG2 4.41Å; L71-I113 HydrophobicContact CD2-CG2 4.15Å; M98-I113 HydrophobicContact CE-CG2 3.54Å; I105-I113 HydrophobicContact CD1-CD1 3.68Å; N109-I113 WeakPolarHBondContact O-CB 3.47Å; N109-I113 WeakPolarHBondContact O-CG1 3.17Å; N109-I113 PolarHBondContact O-N 3.24Å; T111-I113 PolarHBondContact O-N 3.01Å; I113-D115 VanDerWaalsContact C-N 3.34Å; I113-D115 PolarHBondContact O-N 2.68Å; I113-L116 PolarHBondContact O-N 3.43Å; I113-W117 WeakPolarHBondContact O-CB 3.27Å; I113-W117 PolarHBondContact O-N 3.06Å
114M98.6Very high97.7Very high41 Ų4162.6 Ų62.620%0.20230%0.304CS..Hα-helixtrans-65.2-38.2178.4-72.3-64.3-5800111.9M98 K99 C102 R110 T111 K118M98-M114 HydrophobicContact CB-CE 4.4Å; M98-M114 HydrophobicContact CB-SD 3.77Å; K99-M114 HydrophobicContact CG-CE 4.47Å; C102-M114 HydrophobicContact CB-CG 4.28Å; C102-M114 HydrophobicContact CB-SD 4.39Å; R110-M114 HydrophobicContact CG-CG 4.34Å; R110-M114 VanDerWaalsContact O-CB 3.23Å; R110-M114 WeakPolarHBondContact O-CB 3.3Å; R110-M114 WeakPolarHBondContact O-CG 3.44Å; R110-M114 PolarHBondContact O-N 3.03Å; T111-M114 PolarHBondContact O-N 3.23Å; M114-K118 WeakPolarHBondContact O-CB 3.46Å; M114-K118 PolarHBondContact O-N 3.49Å
115D98.7Very high97.8Very high82 Ų8262.9 Ų62.944%0.43931%0.307SS..Hα-helixtrans-67-43.5176.8-75.2-13.2000111.4T111 E112 I113 K118 E119T111-D115 WeakPolarHBondContact O-CB 3.18Å; T111-D115 VanDerWaalsContact O-CG 3.23Å; T111-D115 PolarHBondContact O-N 2.95Å; E112-D115 PolarHBondContact O-N 3.48Å; I113-D115 VanDerWaalsContact C-N 3.34Å; I113-D115 PolarHBondContact O-N 2.68Å; D115-K118 PolarHBondContact O-N 3.47Å; D115-E119 WeakPolarHBondContact O-CB 3.46Å; D115-E119 PolarHBondContact O-N 2.9Å
116L98.9Very high97.8Very high3 Ų365.9 Ų65.92%0.01633%0.327CS..Hα-helixtrans-61.1-48175.2-74166.7000111.9R61 K64 M65 V68 E112 I113 E119 Y120R61-L116 HydrophobicContact CG-CD2 3.58Å; K64-L116 HydrophobicContact CB-CD1 3.61Å; K64-L116 HydrophobicContact CB-CD2 4.36Å; K64-L116 HydrophobicContact CD-CD1 4.36Å; M65-L116 HydrophobicContact CB-CD2 4.11Å; V68-L116 HydrophobicContact CG2-CB 3.73Å; V68-L116 HydrophobicContact CG2-CD1 4.2Å; E112-L116 HydrophobicContact CG-CD1 4Å; E112-L116 WeakPolarHBondContact O-CB 3.49Å; E112-L116 VanDerWaalsContact O-CG 3.28Å; E112-L116 WeakPolarHBondContact O-CG 3.49Å; E112-L116 PolarHBondContact O-N 3Å; I113-L116 PolarHBondContact O-N 3.43Å; L116-E119 PolarHBondContact O-N 3.22Å; L116-Y120 PolarHBondContact O-N 3.32Å
117W98.7Very high98Very high12 Ų1265.2 Ų65.25%0.04532%0.32CS..Hα-helixtrans-62.6-44.1178.2177.583.9000111.3L91 E94 K95 M98 I113 E119 Y120 V121L91-W117 HydrophobicContact CD1-CH2 3.65Å; L91-W117 HydrophobicContact CD1-CZ2 3.9Å; E94-W117 HydrophobicContact CB-CZ2 3.81Å; K95-W117 HydrophobicContact CB-CH2 3.73Å; K95-W117 HydrophobicContact CB-CZ3 4.28Å; K95-W117 HydrophobicContact CG-CH2 4.19Å; K95-W117 HydrophobicContact CG-CZ3 4.25Å; M98-W117 HydrophobicContact CE-CB 3.84Å; M98-W117 HydrophobicContact CE-CG 3.92Å; M98-W117 HydrophobicContact CG-CD2 3.89Å; M98-W117 HydrophobicContact CG-CG 3.96Å; M98-W117 HydrophobicContact CG-CZ2 4.44Å; M98-W117 HydrophobicContact SD-CG 4.36Å; I113-W117 WeakPolarHBondContact O-CB 3.27Å; I113-W117 PolarHBondContact O-N 3.06Å; W117-E119 PolarHBondContact O-N 3.03Å; W117-Y120 WeakPolarHBondContact O-CB 3.42Å; W117-Y120 PolarHBondContact O-N 3.14Å; W117-V121 HydrophobicContact CD2-CG2 4.12Å; W117-V121 HydrophobicContact CE3-CG2 4.42Å; W117-V121 HydrophobicContact CH2-CG2 4.05Å; W117-V121 HydrophobicContact CZ2-CG2 3.72Å; W117-V121 HydrophobicContact CZ3-CG2 4.39Å; W117-V121 WeakPolarHBondContact O-CG2 3.49Å; W117-V121 PolarHBondContact O-N 2.76Å
118K98.6Very high98.2Very high106 Ų10658.7 Ų58.746%0.46129%0.29SS..Hα-helixtrans-64.4-41.4177.4178.9172172.444.10112M114 D115 V121 D122M114-K118 WeakPolarHBondContact O-CB 3.46Å; M114-K118 PolarHBondContact O-N 3.49Å; D115-K118 PolarHBondContact O-N 3.47Å; K118-V121 PolarHBondContact O-N 3.27Å; K118-D122 IonicContact NZ-OD1 2.77Å; K118-D122 PolarHBondContact NZ-OD1 3.37Å; K118-D122 IonicContact NZ-OD2 3.07Å; K118-D122 PolarHBondContact NZ-OD2 3.29Å; K118-D122 VanDerWaalsContact O-CB 3.29Å; K118-D122 WeakPolarHBondContact O-CB 3.4Å; K118-D122 PolarHBondContact O-N 3.47Å
119E98.7Very high98.3Very high26 Ų2653 Ų5312%0.12127%0.265CS..Hα-helixtrans-62.3-44.7177.1-177.3-179.4153.900111.2R61 M65 D115 L116 W117 V121 D122 Q123 T125 A128R61-E119 IonicContact CZ-OE2 3.66Å; R61-E119 IonicContact NE-OE1 2.62Å; R61-E119 IonicContact NE-OE2 2.68Å; R61-E119 PolarHBondContact NE-OE2 2.79Å; R61-E119 IonicContact NH2-OE2 2.77Å; R61-E119 PolarHBondContact NH2-OE2 3.19Å; M65-E119 HydrophobicContact CE-CB 3.96Å; M65-E119 VanDerWaalsContact CE-CD 3.41Å; M65-E119 HydrophobicContact CE-CG 3.63Å; M65-E119 WeakPolarHBondContact CE-OE1 3.31Å; D115-E119 WeakPolarHBondContact O-CB 3.46Å; D115-E119 PolarHBondContact O-N 2.9Å; L116-E119 PolarHBondContact O-N 3.22Å; W117-E119 PolarHBondContact O-N 3.03Å; E119-V121 PolarHBondContact O-N 3.23Å; E119-D122 PolarHBondContact O-N 3.21Å; E119-Q123 PolarHBondContact O-N 3.3Å; E119-Q123 VanDerWaalsContact O-N 3.08Å; E119-T125 VanDerWaalsContact CD-OG1 3.29Å; E119-T125 HydrophobicContact CG-CG2 3.79Å; E119-T125 VanDerWaalsContact CG-OG1 3.24Å; E119-T125 WeakPolarHBondContact CG-OG1 3.3Å; E119-T125 WeakPolarHBondContact OE1-CB 3.34Å; E119-T125 WeakPolarHBondContact OE1-CG2 3.39Å; E119-T125 PolarHBondContact OE1-OG1 2.7Å; E119-A128 HydrophobicContact CG-CB 4.22Å; E119-A128 WeakPolarHBondContact O-CB 3.03Å
120Y98.8Very high98.3Very high14 Ų1449.7 Ų49.76%0.05525%0.248CC..Hα-helixtrans-57.6-47.3172.2176.8-95.6000111.8M65 H69 L116 W117 Q123 C131 K132 D135M65-Y120 HydrophobicContact CG-CD2 4.25Å; M65-Y120 HydrophobicContact CG-CG 4.5Å; M65-Y120 HydrophobicContact SD-CD2 4.11Å; M65-Y120 HydrophobicContact SD-CG 4.5Å; H69-Y120 HydrophobicContact CB-CD1 3.85Å; H69-Y120 HydrophobicContact CB-CD2 3.86Å; H69-Y120 HydrophobicContact CB-CE1 3.91Å; H69-Y120 HydrophobicContact CB-CE2 3.9Å; H69-Y120 HydrophobicContact CB-CG 3.82Å; H69-Y120 AromaticContact CD2-CE1 3.78Å; H69-Y120 AromaticContact CD2-CE2 3.92Å; H69-Y120 AromaticContact CD2-CZ 3.37Å; H69-Y120 PolarHBondContact CD2-OH 3.47Å; H69-Y120 AromaticContact CG-CZ 3.91Å; L116-Y120 PolarHBondContact O-N 3.32Å; W117-Y120 WeakPolarHBondContact O-CB 3.42Å; W117-Y120 PolarHBondContact O-N 3.14Å; Y120-Q123 WeakPolarHBondContact O-CG 3.43Å; Y120-Q123 PolarHBondContact O-NE2 3.49Å; Y120-C131 HydrophobicContact CD2-CB 4.02Å; Y120-C131 HydrophobicContact CE2-CB 4.2Å; Y120-K132 WeakPolarHBondContact OH-CE 3.16Å; Y120-K132 PolarHBondContact OH-NZ 2.96Å; Y120-D135 PolarHBondContact OH-OD2 3.48Å; Y120-D135 VanDerWaalsContact OH-OD2 3.12Å
121V98.3Very high98.4Very high46 Ų4645.3 Ų45.328%0.27923%0.232SC..Hα-helixtrans-63.9-44.1178.31670000112L91 W117 K118 E119 Q123L91-V121 HydrophobicContact CD1-CB 4.46Å; L91-V121 HydrophobicContact CD1-CG1 3.57Å; L91-V121 HydrophobicContact CD1-CG2 4.01Å; L91-V121 HydrophobicContact CD2-CG1 4.23Å; W117-V121 HydrophobicContact CD2-CG2 4.12Å; W117-V121 HydrophobicContact CE3-CG2 4.42Å; W117-V121 HydrophobicContact CH2-CG2 4.05Å; W117-V121 HydrophobicContact CZ2-CG2 3.72Å; W117-V121 HydrophobicContact CZ3-CG2 4.39Å; W117-V121 WeakPolarHBondContact O-CG2 3.49Å; W117-V121 PolarHBondContact O-N 2.76Å; K118-V121 PolarHBondContact O-N 3.27Å; E119-V121 PolarHBondContact O-N 3.23Å; V121-Q123 VanDerWaalsContact C-N 3.28Å; V121-Q123 PolarHBondContact O-N 3.01Å
122D98.3Very high98.5Very high58 Ų5845.3 Ų45.331%0.3123%0.226SC..Hα-helixtrans-71.9-22.3-173.9-77-6.2000112.1K118 E119 K124K118-D122 IonicContact NZ-OD1 2.77Å; K118-D122 PolarHBondContact NZ-OD1 3.37Å; K118-D122 IonicContact NZ-OD2 3.07Å; K118-D122 PolarHBondContact NZ-OD2 3.29Å; K118-D122 VanDerWaalsContact O-CB 3.29Å; K118-D122 WeakPolarHBondContact O-CB 3.4Å; K118-D122 PolarHBondContact O-N 3.47Å; E119-D122 PolarHBondContact O-N 3.21Å; D122-K124 VanDerWaalsContact C-N 3.28Å; D122-K124 HydrophobicContact CB-CD 4.19Å; D122-K124 HydrophobicContact CB-CG 4.39Å; D122-K124 WeakPolarHBondContact O-CG 3.24Å; D122-K124 PolarHBondContact O-N 2.95Å
123Q98.2Very high98.5Very high62 Ų6242.1 Ų42.129%0.2921%0.211SC..THydrogen-bonded Turntrans54.836.9176.7-69.6-70.3-67.700114.1E119 Y120 V121 A128E119-Q123 PolarHBondContact O-N 3.3Å; E119-Q123 VanDerWaalsContact O-N 3.08Å; Y120-Q123 WeakPolarHBondContact O-CG 3.43Å; Y120-Q123 PolarHBondContact O-NE2 3.49Å; V121-Q123 VanDerWaalsContact C-N 3.28Å; V121-Q123 PolarHBondContact O-N 3.01Å; Q123-A128 VanDerWaalsContact NE2-C 3.32Å; Q123-A128 PolarHBondContact NE2-O 3.33Å; Q123-A128 PolarHBondContact OE1-O 2.89Å
124K97.6Very high98.5Very high168 Ų16841 Ų4173%0.7321%0.205SC*.  trans-103.5-13.8-174.6-73.8171.4-170.31660115.1D122D122-K124 VanDerWaalsContact C-N 3.28Å; D122-K124 HydrophobicContact CB-CD 4.19Å; D122-K124 HydrophobicContact CB-CG 4.39Å; D122-K124 WeakPolarHBondContact O-CG 3.24Å; D122-K124 PolarHBondContact O-N 2.95Å
125T98.1Very high98.5Very high39 Ų3940 Ų4024%0.23920%0.201CC..SBendtrans-108.6155.6-178.760.80000110.8E119 E127 A128 V129E119-T125 VanDerWaalsContact CD-OG1 3.29Å; E119-T125 HydrophobicContact CG-CG2 3.79Å; E119-T125 VanDerWaalsContact CG-OG1 3.24Å; E119-T125 WeakPolarHBondContact CG-OG1 3.3Å; E119-T125 WeakPolarHBondContact OE1-CB 3.34Å; E119-T125 WeakPolarHBondContact OE1-CG2 3.39Å; E119-T125 PolarHBondContact OE1-OG1 2.7Å; T125-E127 PolarHBondContact O-N 3.21Å; T125-A128 PolarHBondContact O-N 2.73Å; T125-A128 VanDerWaalsContact O-N 3.14Å; T125-A128 WeakPolarHBondContact OG1-CB 3.3Å; T125-A128 PolarHBondContact OG1-N 2.77Å; T125-A128 VanDerWaalsContact OG1-N 3.09Å; T125-V129 WeakPolarHBondContact O-CG2 3.49Å; T125-V129 PolarHBondContact O-N 2.96Å
126P97.4Very high98.5Very high76 Ų7637.3 Ų37.349%0.49419%0.185SC..Hα-helixtrans-52.3-40.8172.2-27.636.9000112.7L57 V129 I130L57-P126 HydrophobicContact CD2-CB 3.57Å; P126-V129 PolarHBondContact O-N 3.08Å; P126-I130 WeakPolarHBondContact O-CG2 3.47Å; P126-I130 PolarHBondContact O-N 3.23Å
127E98.5Very high98.5Very high19 Ų1938 Ų389%0.08919%0.188CC..Hα-helixtrans-62.7-44.2177-66.874.6-167.300112.1L57 N58 L62 M65 T125 I130 C131L57-E127 WeakPolarHBondContact CA-OE1 3.49Å; N58-E127 PolarHBondContact N-OE1 3.45Å; L62-E127 HydrophobicContact CB-CB 4.48Å; L62-E127 HydrophobicContact CB-CG 4.29Å; L62-E127 HydrophobicContact CD1-CB 4.46Å; L62-E127 WeakPolarHBondContact CD1-O 3.48Å; M65-E127 HydrophobicContact CE-CB 4.05Å; T125-E127 PolarHBondContact O-N 3.21Å; E127-I130 VanDerWaalsContact O-CG2 3.31Å; E127-I130 WeakPolarHBondContact O-CG2 3.42Å; E127-C131 WeakPolarHBondContact O-CB 3.46Å; E127-C131 PolarHBondContact O-N 3.42Å
128A98.7Very high98.5Very high0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-63.8-45.2177.400000111.9M65 E119 Q123 T125 C131 K132M65-A128 HydrophobicContact CE-CB 4.42Å; M65-A128 HydrophobicContact SD-CB 4.29Å; E119-A128 HydrophobicContact CG-CB 4.22Å; E119-A128 WeakPolarHBondContact O-CB 3.03Å; Q123-A128 VanDerWaalsContact NE2-C 3.32Å; Q123-A128 PolarHBondContact NE2-O 3.33Å; Q123-A128 PolarHBondContact OE1-O 2.89Å; T125-A128 PolarHBondContact O-N 2.73Å; T125-A128 VanDerWaalsContact O-N 3.14Å; T125-A128 WeakPolarHBondContact OG1-CB 3.3Å; T125-A128 PolarHBondContact OG1-N 2.77Å; T125-A128 VanDerWaalsContact OG1-N 3.09Å; A128-C131 PolarHBondContact O-N 3.16Å; A128-K132 PolarHBondContact O-N 3.04Å
129V98.5Very high98.5Very high37 Ų3733.9 Ų33.922%0.22417%0.171CC..Hα-helixtrans-65.1-45.8-177.4175.90000111T125 P126 K132 D133 T169T125-V129 WeakPolarHBondContact O-CG2 3.49Å; T125-V129 PolarHBondContact O-N 2.96Å; P126-V129 PolarHBondContact O-N 3.08Å; V129-K132 PolarHBondContact O-N 3.01Å; V129-D133 PolarHBondContact O-N 2.79Å; V129-D133 VanDerWaalsContact O-N 3.08Å; V129-T169 HydrophobicContact CG1-CG2 3.88Å
130I98.3Very high98.5Very high6 Ų632.7 Ų32.73%0.03117%0.166CC..Hα-helixtrans-68.7-35.9176.7-164.9174.4000111.9I49 L57 L62 P126 E127 K132 D133 F134 T169 L171I49-I130 HydrophobicContact CD1-CD1 3.84Å; L57-I130 HydrophobicContact CD1-CD1 3.72Å; L57-I130 HydrophobicContact CD2-CG2 4.49Å; L62-I130 HydrophobicContact CD1-CG2 3.65Å; L62-I130 HydrophobicContact CD2-CD1 4.48Å; L62-I130 HydrophobicContact CD2-CG2 3.58Å; L62-I130 HydrophobicContact CG-CG2 4.26Å; P126-I130 WeakPolarHBondContact O-CG2 3.47Å; P126-I130 PolarHBondContact O-N 3.23Å; E127-I130 VanDerWaalsContact O-CG2 3.31Å; E127-I130 WeakPolarHBondContact O-CG2 3.42Å; I130-K132 VanDerWaalsContact C-N 3.31Å; I130-K132 PolarHBondContact O-N 2.67Å; I130-D133 WeakPolarHBondContact O-CB 3.36Å; I130-D133 PolarHBondContact O-N 3.22Å; I130-D133 VanDerWaalsContact O-N 3.16Å; I130-F134 HydrophobicContact CD1-CE1 4.39Å; I130-F134 HydrophobicContact CD1-CE2 4.42Å; I130-F134 HydrophobicContact CD1-CZ 3.86Å; I130-F134 HydrophobicContact CG1-CE1 3.97Å; I130-F134 HydrophobicContact CG1-CE2 4.17Å; I130-F134 HydrophobicContact CG1-CZ 3.76Å; I130-F134 WeakPolarHBondContact O-CG 3.4Å; I130-F134 PolarHBondContact O-N 3.39Å; I130-T169 HydrophobicContact CB-CG2 4.07Å; I130-T169 HydrophobicContact CG1-CG2 4.35Å; I130-L171 HydrophobicContact CD1-CD2 3.81Å
131C98.8Very high98.5Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-61.9-39.3175.2-167.20000111.6M42 L62 M65 Y120 E127 A128 F134 D135M42-C131 WeakPolarHBondContact CE-O 3.46Å; L62-C131 HydrophobicContact CD1-CB 3.58Å; M65-C131 HydrophobicContact CG-CB 4.42Å; M65-C131 HydrophobicContact SD-CB 3.76Å; Y120-C131 HydrophobicContact CD2-CB 4.02Å; Y120-C131 HydrophobicContact CE2-CB 4.2Å; E127-C131 WeakPolarHBondContact O-CB 3.46Å; E127-C131 PolarHBondContact O-N 3.42Å; A128-C131 PolarHBondContact O-N 3.16Å; C131-F134 PolarHBondContact O-N 3.05Å; C131-D135 PolarHBondContact O-N 3.18Å
132K98.8Very high98.5Very high64 Ų6432.6 Ų32.628%0.27816%0.164SC..Hα-helixtrans-69.4-32.6174.4178.156.570.5-1710112.6Y120 A128 V129 I130 D135 K136Y120-K132 WeakPolarHBondContact OH-CE 3.16Å; Y120-K132 PolarHBondContact OH-NZ 2.96Å; A128-K132 PolarHBondContact O-N 3.04Å; V129-K132 PolarHBondContact O-N 3.01Å; I130-K132 VanDerWaalsContact C-N 3.31Å; I130-K132 PolarHBondContact O-N 2.67Å; K132-D135 IonicContact NZ-OD2 2.67Å; K132-D135 PolarHBondContact NZ-OD2 3.15Å; K132-K136 WeakPolarHBondContact O-CE 3.45Å; K132-K136 PolarHBondContact O-N 3.47Å
133D98.7Very high98.5Very high1 Ų129.8 Ų29.81%0.00515%0.149CC..Hα-helixtrans-64.8-39.8169-84.4-2.4000111.7V129 I130 K136 F137 F167 S168 T169V129-D133 PolarHBondContact O-N 2.79Å; V129-D133 VanDerWaalsContact O-N 3.08Å; I130-D133 WeakPolarHBondContact O-CB 3.36Å; I130-D133 PolarHBondContact O-N 3.22Å; I130-D133 VanDerWaalsContact O-N 3.16Å; D133-K136 PolarHBondContact O-N 2.79Å; D133-K136 WeakPolarHBondContact OD1-CE 3.44Å; D133-K136 IonicContact OD1-NZ 3.08Å; D133-K136 PolarHBondContact OD1-NZ 3.39Å; D133-F137 VanDerWaalsContact O-CB 3.3Å; D133-F137 WeakPolarHBondContact O-CB 3.47Å; D133-F137 PolarHBondContact O-N 2.98Å; D133-F167 HydrophobicContact CB-CD1 4.05Å; D133-F167 HydrophobicContact CB-CE1 4.49Å; D133-F167 WeakPolarHBondContact O-CE1 3.35Å; D133-F167 WeakPolarHBondContact OD1-CA 3.45Å; D133-S168 PolarHBondContact OD1-N 3.38Å; D133-S168 PolarHBondContact OD2-N 3.22Å; D133-T169 WeakPolarHBondContact OD2-CB 3.32Å; D133-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D133-T169 PolarHBondContact OD2-N 2.91Å; D133-T169 PolarHBondContact OD2-OG1 3.32Å
134F98.8Very high98.5Very high0 Ų028.9 Ų28.90%014%0.143CC..Hα-helixtrans-65.2-42.2174.1-66.7-16000113M42 M45 A46 I49 L62 I130 C131 K136 F137 E138 L171 W175M42-F134 HydrophobicContact CE-CB 4.31Å; M42-F134 HydrophobicContact CG-CB 4.44Å; M45-F134 HydrophobicContact CB-CD1 4.36Å; M45-F134 HydrophobicContact CB-CD2 3.99Å; M45-F134 HydrophobicContact CB-CE1 4.49Å; M45-F134 HydrophobicContact CB-CE2 4.14Å; M45-F134 HydrophobicContact CB-CG 4.12Å; M45-F134 HydrophobicContact CB-CZ 4.39Å; M45-F134 HydrophobicContact SD-CB 4.15Å; M45-F134 HydrophobicContact SD-CD1 4.43Å; M45-F134 HydrophobicContact SD-CG 4.31Å; A46-F134 HydrophobicContact CB-CE2 4.11Å; I49-F134 HydrophobicContact CD1-CE2 3.98Å; I49-F134 HydrophobicContact CD1-CZ 3.82Å; I49-F134 HydrophobicContact CG1-CE2 4.27Å; I49-F134 HydrophobicContact CG1-CZ 3.82Å; L62-F134 HydrophobicContact CD2-CE2 4.01Å; I130-F134 HydrophobicContact CD1-CE1 4.39Å; I130-F134 HydrophobicContact CD1-CE2 4.42Å; I130-F134 HydrophobicContact CD1-CZ 3.86Å; I130-F134 HydrophobicContact CG1-CE1 3.97Å; I130-F134 HydrophobicContact CG1-CE2 4.17Å; I130-F134 HydrophobicContact CG1-CZ 3.76Å; I130-F134 WeakPolarHBondContact O-CG 3.4Å; I130-F134 PolarHBondContact O-N 3.39Å; C131-F134 PolarHBondContact O-N 3.05Å; F134-K136 VanDerWaalsContact C-N 3.32Å; F134-K136 PolarHBondContact O-N 3.42Å; F134-F137 PolarHBondContact O-N 3.01Å; F134-E138 WeakPolarHBondContact O-CB 3.29Å; F134-E138 PolarHBondContact O-N 3.41Å; F134-L171 HydrophobicContact CE1-CD2 3.93Å; F134-L171 HydrophobicContact CZ-CD2 3.93Å; F134-W175 HydrophobicContact CD1-CE3 4.33Å; F134-W175 AromaticContact CD1-CZ3 3.86Å; F134-W175 HydrophobicContact CD1-CZ3 3.86Å; F134-W175 HydrophobicContact CE1-CE3 4.03Å; F134-W175 AromaticContact CE1-CH2 3.86Å; F134-W175 HydrophobicContact CE1-CH2 3.86Å; F134-W175 AromaticContact CE1-CZ3 3.45Å; F134-W175 HydrophobicContact CE1-CZ3 3.45Å; F134-W175 VanDerWaalsContact CE1-CZ3 3.45Å; F134-W175 HydrophobicContact CZ-CH2 4.15Å; F134-W175 HydrophobicContact CZ-CZ3 4.16Å
135D98.8Very high98.4Very high20 Ų2023.9 Ų23.911%0.10712%0.122CC..Hα-helixtrans-52.6-49.4174.616637.1000111.4H38 M42 Y120 C131 K132 M139H38-D135 IonicContact CE1-OD1 2.86Å; H38-D135 PolarHBondContact CE1-OD1 3.12Å; H38-D135 IonicContact NE2-OD1 3.23Å; H38-D135 PolarHBondContact NE2-OD1 2.84Å; M42-D135 HydrophobicContact CE-CB 3.81Å; M42-D135 HydrophobicContact SD-CB 4.18Å; Y120-D135 PolarHBondContact OH-OD2 3.48Å; Y120-D135 VanDerWaalsContact OH-OD2 3.12Å; C131-D135 PolarHBondContact O-N 3.18Å; K132-D135 IonicContact NZ-OD2 2.67Å; K132-D135 PolarHBondContact NZ-OD2 3.15Å; D135-M139 PolarHBondContact O-N 3.48Å
136K98.6Very high98.4Very high26 Ų2622.6 Ų22.611%0.11311%0.113CC..Hα-helixtrans-67.6-45.2175.5-66.2171.9-73.1164.30112.7K132 D133 F134 E138 M139 L140 T163 T166 F167K132-K136 WeakPolarHBondContact O-CE 3.45Å; K132-K136 PolarHBondContact O-N 3.47Å; D133-K136 PolarHBondContact O-N 2.79Å; D133-K136 WeakPolarHBondContact OD1-CE 3.44Å; D133-K136 IonicContact OD1-NZ 3.08Å; D133-K136 PolarHBondContact OD1-NZ 3.39Å; F134-K136 VanDerWaalsContact C-N 3.32Å; F134-K136 PolarHBondContact O-N 3.42Å; K136-E138 VanDerWaalsContact C-N 3.34Å; K136-E138 PolarHBondContact O-N 2.77Å; K136-M139 WeakPolarHBondContact O-CB 3.49Å; K136-M139 PolarHBondContact O-N 3.3Å; K136-L140 WeakPolarHBondContact O-CG 3.49Å; K136-L140 PolarHBondContact O-N 3.41Å; K136-T163 HydrophobicContact CB-CG2 4.28Å; K136-T163 HydrophobicContact CG-CG2 4.46Å; K136-T166 WeakPolarHBondContact CD-OG1 3.4Å; K136-T166 PolarHBondContact NZ-O 2.7Å; K136-T166 PolarHBondContact NZ-OG1 2.98Å; K136-F167 HydrophobicContact CB-CE1 4.08Å; K136-F167 HydrophobicContact CB-CZ 3.87Å
137F98.9Very high98.3Very high19 Ų1919 Ų198%0.0839%0.09CC..Hα-helixtrans-63.9-41.4-176.8178.9-105.1000111.8M45 D133 F134 L140 L141 F167 W175 L179M45-F137 HydrophobicContact CE-CD1 3.48Å; M45-F137 VanDerWaalsContact CE-CD1 3.48Å; M45-F137 HydrophobicContact CE-CE1 3.78Å; M45-F137 HydrophobicContact SD-CD1 3.84Å; M45-F137 HydrophobicContact SD-CE1 4.48Å; D133-F137 VanDerWaalsContact O-CB 3.3Å; D133-F137 WeakPolarHBondContact O-CB 3.47Å; D133-F137 PolarHBondContact O-N 2.98Å; F134-F137 PolarHBondContact O-N 3.01Å; F137-L140 PolarHBondContact O-N 2.9Å; F137-L141 HydrophobicContact CE1-CD2 4.17Å; F137-L141 WeakPolarHBondContact O-CB 3.34Å; F137-L141 PolarHBondContact O-N 2.67Å; F137-F167 HydrophobicContact CB-CE1 3.95Å; F137-F167 HydrophobicContact CB-CZ 4.32Å; F137-W175 AromaticContact CD1-CE3 3.62Å; F137-W175 HydrophobicContact CD1-CE3 3.62Å; F137-W175 HydrophobicContact CD1-CZ3 4.21Å; F137-W175 HydrophobicContact CD2-CB 3.96Å; F137-W175 HydrophobicContact CE1-CB 4.35Å; F137-W175 HydrophobicContact CE1-CD2 4.37Å; F137-W175 AromaticContact CE1-CE3 3.63Å; F137-W175 HydrophobicContact CE1-CE3 3.63Å; F137-W175 HydrophobicContact CE1-CZ3 4.29Å; F137-W175 HydrophobicContact CE2-CB 3.64Å; F137-W175 WeakPolarHBondContact CE2-O 3.24Å; F137-W175 HydrophobicContact CG-CB 4.46Å; F137-W175 HydrophobicContact CG-CE3 4.25Å; F137-W175 HydrophobicContact CZ-CB 3.86Å; F137-W175 HydrophobicContact CZ-CE3 4.26Å; F137-L179 HydrophobicContact CD2-CD2 4.34Å; F137-L179 HydrophobicContact CE2-CB 3.9Å; F137-L179 HydrophobicContact CE2-CD2 3.84Å; F137-L179 HydrophobicContact CE2-CG 4.5Å; F137-L179 HydrophobicContact CZ-CD2 4.48Å
138E98.8Very high98.1Very high1 Ų122 Ų221%0.00510%0.104CC..Hα-helixtrans-59.4-47.5176.8-159.1-69.3157.400110.4H38 R41 M42 M45 F134 K136 L140 L141 Q142H38-E138 IonicContact CE1-OE2 3.13Å; H38-E138 IonicContact CG-OE2 2.72Å; H38-E138 VanDerWaalsContact ND1-CD 3.32Å; H38-E138 IonicContact ND1-OE2 2.63Å; H38-E138 PolarHBondContact ND1-OE2 2.8Å; R41-E138 HydrophobicContact CB-CG 3.99Å; R41-E138 HydrophobicContact CG-CG 4.3Å; R41-E138 IonicContact CZ-OE1 3.76Å; R41-E138 IonicContact NE-OE1 2.66Å; R41-E138 PolarHBondContact NE-OE1 3.34Å; R41-E138 VanDerWaalsContact NH2-CD 3.35Å; R41-E138 PolarHBondContact NH2-O 2.73Å; R41-E138 IonicContact NH2-OE1 2.7Å; R41-E138 PolarHBondContact NH2-OE1 3.02Å; R41-E138 IonicContact NH2-OE2 3.7Å; M42-E138 HydrophobicContact CG-CB 3.98Å; M42-E138 HydrophobicContact CG-CG 3.96Å; M45-E138 HydrophobicContact CE-CB 3.72Å; M45-E138 HydrophobicContact CE-CG 3.74Å; M45-E138 HydrophobicContact SD-CB 4.14Å; M45-E138 HydrophobicContact SD-CG 4.39Å; F134-E138 WeakPolarHBondContact O-CB 3.29Å; F134-E138 PolarHBondContact O-N 3.41Å; K136-E138 VanDerWaalsContact C-N 3.34Å; K136-E138 PolarHBondContact O-N 2.77Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.44Å; E138-L141 PolarHBondContact O-N 2.88Å; E138-L141 VanDerWaalsContact O-N 3.16Å; E138-Q142 PolarHBondContact O-N 3.16Å
139M98.5Very high97.8Very high30 Ų3028.4 Ų28.415%0.14813%0.133CC..Hα-helixtrans-57-43.1173.9-178.3-173.869.900112.4W24 D135 K136 A143 F159 T163W24-M139 HydrophobicContact CH2-CG 3.85Å; W24-M139 WeakPolarHBondContact CH2-O 3.43Å; W24-M139 HydrophobicContact CZ2-CG 3.96Å; D135-M139 PolarHBondContact O-N 3.48Å; K136-M139 WeakPolarHBondContact O-CB 3.49Å; K136-M139 PolarHBondContact O-N 3.3Å; M139-A143 WeakPolarHBondContact O-CB 3.33Å; M139-A143 PolarHBondContact O-N 3.29Å; M139-F159 HydrophobicContact CE-CD1 4.2Å; M139-F159 HydrophobicContact CG-CD1 4.05Å; M139-F159 HydrophobicContact SD-CD1 3.72Å; M139-F159 HydrophobicContact SD-CE1 4.24Å; M139-T163 HydrophobicContact CE-CG2 3.78Å
140L98.7Very high97.5Very high0 Ų029.1 Ų29.10%014%0.138CC..Hα-helixtrans-68.5-38.8177.7-64.5-175.8000112.6K136 F137 E138 Q142 A143 Y144 F159 F160 T163 F167 V176 L179K136-L140 WeakPolarHBondContact O-CG 3.49Å; K136-L140 PolarHBondContact O-N 3.41Å; F137-L140 PolarHBondContact O-N 2.9Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.44Å; L140-Q142 VanDerWaalsContact C-N 3.33Å; L140-A143 WeakPolarHBondContact O-CB 3.48Å; L140-A143 PolarHBondContact O-N 3.06Å; L140-Y144 PolarHBondContact O-N 3.36Å; L140-F159 HydrophobicContact CD2-CB 4.31Å; L140-F159 WeakPolarHBondContact CD2-O 3.39Å; L140-F160 HydrophobicContact CB-CE1 4.05Å; L140-F160 HydrophobicContact CB-CZ 4.22Å; L140-F160 HydrophobicContact CD1-CD1 4.28Å; L140-F160 HydrophobicContact CD1-CE1 4.41Å; L140-F160 HydrophobicContact CD2-CB 4.42Å; L140-F160 HydrophobicContact CD2-CD1 3.97Å; L140-F160 HydrophobicContact CD2-CD2 4.26Å; L140-F160 HydrophobicContact CD2-CE1 4.22Å; L140-F160 HydrophobicContact CD2-CE2 4.49Å; L140-F160 HydrophobicContact CD2-CG 3.98Å; L140-F160 HydrophobicContact CD2-CZ 4.45Å; L140-F160 HydrophobicContact CG-CE1 4.46Å; L140-F160 WeakPolarHBondContact O-CZ 3.38Å; L140-T163 HydrophobicContact CD1-CG2 4.38Å; L140-T163 WeakPolarHBondContact CD1-OG1 3.49Å; L140-T163 HydrophobicContact CD2-CG2 4.02Å; L140-T163 HydrophobicContact CG-CG2 4.3Å; L140-F167 HydrophobicContact CD1-CE2 3.96Å; L140-F167 HydrophobicContact CD1-CZ 3.88Å; L140-V176 HydrophobicContact CD1-CG2 3.75Å; L140-L179 HydrophobicContact CB-CD2 3.63Å
141L98.7Very high97.1Very high38 Ų3834.9 Ų34.920%0.19917%0.168CC..Hα-helixtrans-64.4-42.6177.7-177.360.6000110.2M45 F137 E138 A143 Y144 E145 L179M45-L141 HydrophobicContact CE-CD2 4.1Å; F137-L141 HydrophobicContact CE1-CD2 4.17Å; F137-L141 WeakPolarHBondContact O-CB 3.34Å; F137-L141 PolarHBondContact O-N 2.67Å; E138-L141 PolarHBondContact O-N 2.88Å; E138-L141 VanDerWaalsContact O-N 3.16Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.18Å; L141-Y144 HydrophobicContact CD1-CD1 4.4Å; L141-Y144 WeakPolarHBondContact O-CB 3.49Å; L141-Y144 PolarHBondContact O-N 3.49Å; L141-E145 WeakPolarHBondContact O-CG 3.42Å; L141-E145 PolarHBondContact O-N 2.87Å; L141-L179 HydrophobicContact CB-CD2 4.33Å; L141-L179 HydrophobicContact CD1-CD1 3.8Å
142Q98.6Very high96.7Very high20 Ų2039.3 Ų39.39%0.09319%0.189CC..Hα-helixtrans-61.7-41.7173.2-165.558.656.300112.1W24 E33 R41 E138 L140 Y144 E145 Y146W24-Q142 HydrophobicContact CH2-CB 4.41Å; W24-Q142 HydrophobicContact CZ2-CB 3.87Å; W24-Q142 HydrophobicContact CZ2-CG 3.93Å; E33-Q142 HydrophobicContact CG-CG 3.93Å; R41-Q142 VanDerWaalsContact NH2-CB 3.34Å; E138-Q142 PolarHBondContact O-N 3.16Å; L140-Q142 VanDerWaalsContact C-N 3.33Å; Q142-Y144 VanDerWaalsContact C-N 3.35Å; Q142-Y144 PolarHBondContact O-N 2.84Å; Q142-E145 PolarHBondContact NE2-OE2 2.9Å; Q142-E145 PolarHBondContact O-N 2.87Å; Q142-E145 PolarHBondContact OE1-OE2 3.07Å; Q142-Y146 HydrophobicContact CG-CD2 3.98Å; Q142-Y146 HydrophobicContact CG-CE2 3.42Å; Q142-Y146 VanDerWaalsContact CG-CE2 3.42Å; Q142-Y146 VanDerWaalsContact NE2-CE1 3.31Å; Q142-Y146 PolarHBondContact NE2-OH 3.06Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.31Å; Q142-Y146 PolarHBondContact O-N 3.45Å
143A98.1Very high96.4Very high0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-61.3-43.417600000111.8W24 M139 L140 L141 Y146 E147 L156 F160W24-A143 HydrophobicContact CH2-CB 3.87Å; W24-A143 HydrophobicContact CZ3-CB 4.01Å; M139-A143 WeakPolarHBondContact O-CB 3.33Å; M139-A143 PolarHBondContact O-N 3.29Å; L140-A143 WeakPolarHBondContact O-CB 3.48Å; L140-A143 PolarHBondContact O-N 3.06Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.18Å; A143-Y146 PolarHBondContact O-N 2.85Å; A143-E147 WeakPolarHBondContact O-CG 3.49Å; A143-E147 PolarHBondContact O-N 3.4Å; A143-L156 HydrophobicContact CB-CB 3.98Å; A143-L156 HydrophobicContact CB-CD1 3.91Å; A143-L156 WeakPolarHBondContact O-CD1 3.32Å; A143-F160 HydrophobicContact CB-CE2 3.79Å; A143-F160 HydrophobicContact CB-CZ 4.4Å
144Y97.5Very high96.1Very high43 Ų4339.1 Ų39.117%0.16920%0.199CC..Hα-helixtrans-60.3-44.8174.2163.5-97.2000112.1L140 L141 Q142 Y146 E147 H148 L179 L182 R183 L186L140-Y144 PolarHBondContact O-N 3.36Å; L141-Y144 HydrophobicContact CD1-CD1 4.4Å; L141-Y144 WeakPolarHBondContact O-CB 3.49Å; L141-Y144 PolarHBondContact O-N 3.49Å; Q142-Y144 VanDerWaalsContact C-N 3.35Å; Q142-Y144 PolarHBondContact O-N 2.84Å; Y144-Y146 VanDerWaalsContact C-N 3.34Å; Y144-Y146 PolarHBondContact O-N 3.26Å; Y144-E147 PolarHBondContact O-N 3.21Å; Y144-H148 WeakPolarHBondContact O-CB 3.38Å; Y144-H148 PolarHBondContact O-N 3.41Å; Y144-L179 HydrophobicContact CD1-CD1 4.01Å; Y144-L179 HydrophobicContact CD2-CD1 4.38Å; Y144-L179 HydrophobicContact CG-CD1 3.78Å; Y144-L182 HydrophobicContact CE2-CB 4.29Å; Y144-R183 HydrophobicContact CD2-CB 3.87Å; Y144-R183 HydrophobicContact CD2-CG 4.17Å; Y144-R183 HydrophobicContact CE2-CB 4.36Å; Y144-L186 HydrophobicContact CE2-CD2 4.43Å
145E97.3Very high95.9Very high62 Ų6241.9 Ų41.929%0.2921%0.211SC..Hα-helixtrans-59.8-45.1177.1-73.3170.3166.200111.1R41 L141 Q142 H148 E149R41-E145 IonicContact CZ-OE2 2.65Å; R41-E145 IonicContact NH1-OE1 2.96Å; R41-E145 PolarHBondContact NH1-OE1 3.27Å; R41-E145 IonicContact NH1-OE2 2.73Å; R41-E145 PolarHBondContact NH1-OE2 3.12Å; R41-E145 IonicContact NH2-OE2 2.64Å; L141-E145 WeakPolarHBondContact O-CG 3.42Å; L141-E145 PolarHBondContact O-N 2.87Å; Q142-E145 PolarHBondContact NE2-OE2 2.9Å; Q142-E145 PolarHBondContact O-N 2.87Å; Q142-E145 PolarHBondContact OE1-OE2 3.07Å; E145-H148 PolarHBondContact O-N 3.14Å; E145-E149 WeakPolarHBondContact O-CB 3.48Å; E145-E149 VanDerWaalsContact O-CG 3.24Å; E145-E149 WeakPolarHBondContact O-CG 3.4Å; E145-E149 PolarHBondContact O-N 3.37Å
146Y97.3Very high95.8Very high12 Ų1241 Ų415%0.04721%0.206CC..Hα-helixtrans-65.2-41.3176.8-70.1-34000113.5W24 I29 P32 E33 Q142 A143 Y144 H148 E149 T150 L156W24-Y146 HydrophobicContact CB-CE2 4.49Å; W24-Y146 AromaticContact CD1-CE2 3.99Å; W24-Y146 HydrophobicContact CD2-CD2 4.12Å; W24-Y146 AromaticContact CD2-CE2 3.74Å; W24-Y146 HydrophobicContact CD2-CE2 3.74Å; W24-Y146 AromaticContact CE2-CE2 3.93Å; W24-Y146 HydrophobicContact CE3-CD2 4.1Å; W24-Y146 HydrophobicContact CE3-CE2 4.2Å; W24-Y146 AromaticContact CG-CE2 3.84Å; W24-Y146 HydrophobicContact CG-CE2 3.84Å; W24-Y146 HydrophobicContact CZ3-CD2 4.48Å; I29-Y146 HydrophobicContact CD1-CD2 4.4Å; I29-Y146 HydrophobicContact CD1-CG 4.26Å; I29-Y146 HydrophobicContact CG1-CD2 4.18Å; I29-Y146 HydrophobicContact CG1-CG 4.46Å; I29-Y146 HydrophobicContact CG2-CD1 3.75Å; I29-Y146 HydrophobicContact CG2-CD2 3.9Å; I29-Y146 HydrophobicContact CG2-CE1 3.67Å; I29-Y146 HydrophobicContact CG2-CE2 3.79Å; I29-Y146 HydrophobicContact CG2-CG 3.89Å; P32-Y146 WeakPolarHBondContact CA-OH 3.22Å; E33-Y146 PolarHBondContact N-OH 3.08Å; Q142-Y146 HydrophobicContact CG-CD2 3.98Å; Q142-Y146 HydrophobicContact CG-CE2 3.42Å; Q142-Y146 VanDerWaalsContact CG-CE2 3.42Å; Q142-Y146 VanDerWaalsContact NE2-CE1 3.31Å; Q142-Y146 PolarHBondContact NE2-OH 3.06Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.31Å; Q142-Y146 PolarHBondContact O-N 3.45Å; A143-Y146 PolarHBondContact O-N 2.85Å; Y144-Y146 VanDerWaalsContact C-N 3.34Å; Y144-Y146 PolarHBondContact O-N 3.26Å; Y146-H148 VanDerWaalsContact C-N 3.28Å; Y146-H148 PolarHBondContact O-N 3.03Å; Y146-E149 PolarHBondContact O-N 2.95Å; Y146-T150 WeakPolarHBondContact O-CB 3.46Å; Y146-T150 WeakPolarHBondContact O-CG2 3.41Å; Y146-T150 PolarHBondContact O-N 3.08Å; Y146-T150 PolarHBondContact O-OG1 3Å; Y146-L156 HydrophobicContact CD2-CD1 4.21Å; Y146-L156 HydrophobicContact CG-CD1 4.48Å
147E95.5Very high95.7Very high0 Ų043.1 Ų43.10%022%0.216CC..Hα-helixtrans-61-40.3174.4-73.8-177.4162.500111.4A143 Y144 L151 E152 G154 K155 L156 R183 L186A143-E147 WeakPolarHBondContact O-CG 3.49Å; A143-E147 PolarHBondContact O-N 3.4Å; Y144-E147 PolarHBondContact O-N 3.21Å; E147-L151 PolarHBondContact O-N 2.85Å; E147-L151 VanDerWaalsContact O-N 3.11Å; E147-E152 PolarHBondContact O-N 2.69Å; E147-E152 VanDerWaalsContact O-N 3.11Å; E147-G154 VanDerWaalsContact OE1-C 3.3Å; E147-G154 VanDerWaalsContact OE1-CA 3.32Å; E147-G154 WeakPolarHBondContact OE1-CA 3.41Å; E147-G154 PolarHBondContact OE1-N 3.23Å; E147-K155 PolarHBondContact OE1-N 3.08Å; E147-L156 HydrophobicContact CG-CB 4.09Å; E147-L156 HydrophobicContact CG-CD1 4.28Å; E147-L156 HydrophobicContact CG-CG 4.16Å; E147-L156 WeakPolarHBondContact OE1-CA 3.29Å; E147-L156 PolarHBondContact OE1-N 2.66Å; E147-R183 IonicContact OE1-CZ 3.66Å; E147-R183 IonicContact OE1-NE 3.74Å; E147-R183 IonicContact OE1-NH2 2.78Å; E147-R183 PolarHBondContact OE1-NH2 3.34Å; E147-R183 IonicContact OE2-CZ 3.38Å; E147-R183 IonicContact OE2-NE 2.71Å; E147-R183 PolarHBondContact OE2-NE 3.01Å; E147-R183 IonicContact OE2-NH2 3.19Å; E147-R183 PolarHBondContact OE2-NH2 3.43Å; E147-L186 HydrophobicContact CB-CD2 4.16Å
148H93.4Very high95.6Very high84 Ų8444.5 Ų44.539%0.38923%0.228SC..Hα-helixtrans-68.4-45.3177.5-175.6-71.9000112.2Y144 E145 Y146 L151 L186Y144-H148 WeakPolarHBondContact O-CB 3.38Å; Y144-H148 PolarHBondContact O-N 3.41Å; E145-H148 PolarHBondContact O-N 3.14Å; Y146-H148 VanDerWaalsContact C-N 3.28Å; Y146-H148 PolarHBondContact O-N 3.03Å; H148-L151 PolarHBondContact O-N 3.38Å; H148-L186 HydrophobicContact CB-CD1 4.37Å; H148-L186 HydrophobicContact CB-CD2 3.97Å
149E92.8Very high95.5Very high133 Ų13345.4 Ų45.462%0.62123%0.232SC*.Hα-helixtrans-67.3-36.8-180-74.5173-179.200112.8E145 Y146 L151E145-E149 WeakPolarHBondContact O-CB 3.48Å; E145-E149 VanDerWaalsContact O-CG 3.24Å; E145-E149 WeakPolarHBondContact O-CG 3.4Å; E145-E149 PolarHBondContact O-N 3.37Å; Y146-E149 PolarHBondContact O-N 2.95Å; E149-L151 VanDerWaalsContact C-N 3.34Å
150T91.6Very high95.4Very high53 Ų5344.4 Ų44.433%0.32523%0.227SC..Hα-helixtrans-84.1-10.2179.357.40000113.2Y146 E152Y146-T150 WeakPolarHBondContact O-CB 3.46Å; Y146-T150 WeakPolarHBondContact O-CG2 3.41Å; Y146-T150 PolarHBondContact O-N 3.08Å; Y146-T150 PolarHBondContact O-OG1 3Å; T150-E152 PolarHBondContact O-N 3.37Å
151L90.6Very high95.3Very high126 Ų12650 Ų5066%0.6625%0.253SS*.THydrogen-bonded Turntrans55.833.8-172-55173.3000112.2E147 H148 E149 P153E147-L151 PolarHBondContact O-N 2.85Å; E147-L151 VanDerWaalsContact O-N 3.11Å; H148-L151 PolarHBondContact O-N 3.38Å; E149-L151 VanDerWaalsContact C-N 3.34Å; L151-P153 VanDerWaalsContact C-CD 3.46Å; L151-P153 WeakPolarHBondContact O-CD 3.24Å
152E90.9Very high95.2Very high94 Ų9452 Ų5244%0.43927%0.27SS..  trans-120.570.4-180-64.5179.796.100109.5E147 T150 G154 K155E147-E152 PolarHBondContact O-N 2.69Å; E147-E152 VanDerWaalsContact O-N 3.11Å; T150-E152 PolarHBondContact O-N 3.37Å; E152-G154 PolarHBondContact O-N 2.67Å; E152-K155 HydrophobicContact CB-CB 3.94Å; E152-K155 HydrophobicContact CB-CD 3.91Å; E152-K155 HydrophobicContact CG-CD 4.44Å; E152-K155 WeakPolarHBondContact O-CB 3.12Å; E152-K155 PolarHBondContact O-N 3.49Å; E152-K155 IonicContact OE1-NZ 3.94Å; E152-K155 WeakPolarHBondContact OE2-CD 3.45Å; E152-K155 IonicContact OE2-NZ 3.63Å; E152-K155 PolarHBondContact OE2-NZ 3.4Å
153P91.1Very high95.1Very high37 Ų3751.3 Ų51.324%0.2427%0.268CS..THydrogen-bonded Turntrans-60.4135.3179.828.3-36.2000110.7L151 K155 L186 F187 C190L151-P153 VanDerWaalsContact C-CD 3.46Å; L151-P153 WeakPolarHBondContact O-CD 3.24Å; P153-K155 VanDerWaalsContact C-N 3.32Å; P153-K155 PolarHBondContact O-N 2.7Å; P153-L186 HydrophobicContact CB-CD2 4.33Å; P153-L186 HydrophobicContact CB-CG 4.24Å; P153-F187 HydrophobicContact CB-CD1 3.72Å; P153-F187 HydrophobicContact CB-CD2 4.35Å; P153-F187 HydrophobicContact CB-CE1 3.69Å; P153-F187 HydrophobicContact CB-CE2 4.32Å; P153-F187 HydrophobicContact CB-CG 4.06Å; P153-F187 HydrophobicContact CB-CZ 4.01Å; P153-F187 HydrophobicContact CG-CD1 4.22Å; P153-F187 HydrophobicContact CG-CE1 4.41Å; P153-C190 HydrophobicContact CG-CB 4.06Å
154G93.1Very high94.9Very high24 Ų2457.7 Ų57.725%0.24730%0.301CS..THydrogen-bonded Turntrans85.7-8.6-178.100000115.2E147 E152 L156 E157 F187E147-G154 VanDerWaalsContact OE1-C 3.3Å; E147-G154 VanDerWaalsContact OE1-CA 3.32Å; E147-G154 WeakPolarHBondContact OE1-CA 3.41Å; E147-G154 PolarHBondContact OE1-N 3.23Å; E152-G154 PolarHBondContact O-N 2.67Å; G154-L156 PolarHBondContact O-N 3.17Å; G154-L156 VanDerWaalsContact O-N 3.09Å; G154-E157 VanDerWaalsContact O-CB 3.31Å; G154-E157 WeakPolarHBondContact O-CB 3.46Å; G154-E157 PolarHBondContact O-N 3.36Å; G154-E157 VanDerWaalsContact O-N 3.07Å; G154-F187 VanDerWaalsContact N-CZ 3.33Å
155K95.2Very high94.8Very high58 Ų5859.8 Ų59.825%0.25234%0.336SS..THydrogen-bonded Turntrans-53.8-32.5177178.3175.1-177.4175.10113Y27 E147 E152 P153Y27-K155 HydrophobicContact CD1-CG 4.42Å; Y27-K155 WeakPolarHBondContact CD1-O 3.33Å; Y27-K155 WeakPolarHBondContact CE1-O 3.38Å; Y27-K155 VanDerWaalsContact O-CE 3.27Å; Y27-K155 WeakPolarHBondContact O-CE 3.41Å; E147-K155 PolarHBondContact OE1-N 3.08Å; E152-K155 HydrophobicContact CB-CB 3.94Å; E152-K155 HydrophobicContact CB-CD 3.91Å; E152-K155 HydrophobicContact CG-CD 4.44Å; E152-K155 WeakPolarHBondContact O-CB 3.12Å; E152-K155 PolarHBondContact O-N 3.49Å; E152-K155 IonicContact OE1-NZ 3.94Å; E152-K155 WeakPolarHBondContact OE2-CD 3.45Å; E152-K155 IonicContact OE2-NZ 3.63Å; E152-K155 PolarHBondContact OE2-NZ 3.4Å; P153-K155 VanDerWaalsContact C-N 3.32Å; P153-K155 PolarHBondContact O-N 2.7Å
156L96.7Very high94.8Very high1 Ų159.5 Ų59.51%0.00534%0.339CS..THydrogen-bonded Turntrans-111.322.4-176.1-58.2178.1000111.9W24 Y27 I29 A143 Y146 E147 G154 S158 F159W24-L156 HydrophobicContact CE3-CD1 4.32Å; W24-L156 HydrophobicContact CZ3-CD1 4.02Å; Y27-L156 HydrophobicContact CD1-CD2 3.61Å; Y27-L156 HydrophobicContact CD2-CD2 3.81Å; Y27-L156 HydrophobicContact CE1-CD2 4.2Å; Y27-L156 HydrophobicContact CE2-CD2 4.37Å; Y27-L156 HydrophobicContact CG-CD2 3.39Å; I29-L156 HydrophobicContact CD1-CD1 4.4Å; A143-L156 HydrophobicContact CB-CB 3.98Å; A143-L156 HydrophobicContact CB-CD1 3.91Å; A143-L156 WeakPolarHBondContact O-CD1 3.32Å; Y146-L156 HydrophobicContact CD2-CD1 4.21Å; Y146-L156 HydrophobicContact CG-CD1 4.48Å; E147-L156 HydrophobicContact CG-CB 4.09Å; E147-L156 HydrophobicContact CG-CD1 4.28Å; E147-L156 HydrophobicContact CG-CG 4.16Å; E147-L156 WeakPolarHBondContact OE1-CA 3.29Å; E147-L156 PolarHBondContact OE1-N 2.66Å; G154-L156 PolarHBondContact O-N 3.17Å; G154-L156 VanDerWaalsContact O-N 3.09Å; L156-S158 PolarHBondContact O-N 3.35Å; L156-S158 VanDerWaalsContact O-N 3.14Å; L156-F159 HydrophobicContact CB-CD2 3.89Å; L156-F159 HydrophobicContact CB-CE2 4.43Å; L156-F159 HydrophobicContact CD2-CD2 4.14Å; L156-F159 HydrophobicContact CD2-CE2 3.8Å; L156-F159 WeakPolarHBondContact O-CB 3.49Å; L156-F159 WeakPolarHBondContact O-CD2 3.43Å; L156-F159 PolarHBondContact O-N 3.47Å
157E96.5Very high94.8Very high71 Ų7159.7 Ų59.733%0.33234%0.34SS..Hα-helixtrans-51.7-39.8-179.5-173.460.5-138.300113.1G154 F159 F160 E161 R183G154-E157 VanDerWaalsContact O-CB 3.31Å; G154-E157 WeakPolarHBondContact O-CB 3.46Å; G154-E157 PolarHBondContact O-N 3.36Å; G154-E157 VanDerWaalsContact O-N 3.07Å; E157-F159 PolarHBondContact O-N 3.14Å; E157-F159 VanDerWaalsContact O-N 3.07Å; E157-F160 WeakPolarHBondContact O-CA 3.27Å; E157-F160 WeakPolarHBondContact O-CB 3.49Å; E157-F160 PolarHBondContact O-N 2.88Å; E157-E161 HydrophobicContact CG-CG 4.06Å; E157-E161 PolarHBondContact O-N 3.09Å; E157-R183 IonicContact OE1-NH1 3.5Å; E157-R183 PolarHBondContact OE1-NH1 2.96Å; E157-R183 IonicContact OE2-CZ 3.12Å; E157-R183 IonicContact OE2-NH1 2.69Å; E157-R183 PolarHBondContact OE2-NH1 3.32Å; E157-R183 IonicContact OE2-NH2 2.7Å; E157-R183 PolarHBondContact OE2-NH2 3.07Å
158S96Very high94.9Very high47 Ų4763.8 Ų63.833%0.32937%0.368SS..Hα-helixtrans-57.1-28.5-179.768.10000113.9Y27 L156 S162Y27-S158 PolarHBondContact OH-OG 3.01Å; L156-S158 PolarHBondContact O-N 3.35Å; L156-S158 VanDerWaalsContact O-N 3.14Å; S158-S162 VanDerWaalsContact O-CB 3.3Å; S158-S162 WeakPolarHBondContact O-CB 3.49Å; S158-S162 PolarHBondContact O-N 3.49Å; S158-S162 PolarHBondContact O-OG 3.27Å
159F96.5Very high95.1Very high21 Ų2161 Ų619%0.09236%0.357CS..Hα-helixtrans-68.7-44.1174.2-69.3-89.1000110.5W24 Y27 M139 L140 L156 E157 S162 T163W24-F159 HydrophobicContact CE3-CE1 4.21Å; W24-F159 AromaticContact CE3-CE2 3.97Å; W24-F159 HydrophobicContact CE3-CE2 3.97Å; W24-F159 AromaticContact CE3-CZ 3.69Å; W24-F159 HydrophobicContact CE3-CZ 3.69Å; W24-F159 HydrophobicContact CH2-CD1 4.09Å; W24-F159 HydrophobicContact CH2-CE1 4.02Å; W24-F159 HydrophobicContact CH2-CG 4.38Å; W24-F159 HydrophobicContact CH2-CZ 4.26Å; W24-F159 AromaticContact CZ3-CD1 3.99Å; W24-F159 HydrophobicContact CZ3-CD1 3.99Å; W24-F159 AromaticContact CZ3-CD2 3.88Å; W24-F159 HydrophobicContact CZ3-CD2 3.88Å; W24-F159 AromaticContact CZ3-CE1 3.69Å; W24-F159 HydrophobicContact CZ3-CE1 3.69Å; W24-F159 AromaticContact CZ3-CE2 3.57Å; W24-F159 HydrophobicContact CZ3-CE2 3.57Å; W24-F159 HydrophobicContact CZ3-CG 4.07Å; W24-F159 AromaticContact CZ3-CZ 3.47Å; W24-F159 HydrophobicContact CZ3-CZ 3.47Å; W24-F159 VanDerWaalsContact CZ3-CZ 3.47Å; Y27-F159 AromaticContact CD2-CE2 3.66Å; Y27-F159 HydrophobicContact CD2-CE2 3.66Å; Y27-F159 HydrophobicContact CD2-CZ 4.09Å; Y27-F159 HydrophobicContact CE2-CD2 4.33Å; Y27-F159 AromaticContact CE2-CE2 3.32Å; Y27-F159 HydrophobicContact CE2-CE2 3.32Å; Y27-F159 AromaticContact CE2-CZ 3.83Å; Y27-F159 HydrophobicContact CE2-CZ 3.83Å; M139-F159 HydrophobicContact CE-CD1 4.2Å; M139-F159 HydrophobicContact CG-CD1 4.05Å; M139-F159 HydrophobicContact SD-CD1 3.72Å; M139-F159 HydrophobicContact SD-CE1 4.24Å; L140-F159 HydrophobicContact CD2-CB 4.31Å; L140-F159 WeakPolarHBondContact CD2-O 3.39Å; L156-F159 HydrophobicContact CB-CD2 3.89Å; L156-F159 HydrophobicContact CB-CE2 4.43Å; L156-F159 HydrophobicContact CD2-CD2 4.14Å; L156-F159 HydrophobicContact CD2-CE2 3.8Å; L156-F159 WeakPolarHBondContact O-CB 3.49Å; L156-F159 WeakPolarHBondContact O-CD2 3.43Å; L156-F159 PolarHBondContact O-N 3.47Å; E157-F159 PolarHBondContact O-N 3.14Å; E157-F159 VanDerWaalsContact O-N 3.07Å; F159-S162 PolarHBondContact O-N 2.93Å; F159-S162 PolarHBondContact O-OG 3.49Å; F159-T163 WeakPolarHBondContact O-CG2 3.45Å
160F97.5Very high95.2Very high8 Ų857.3 Ų57.34%0.03535%0.346CS..Hα-helixtrans-62.1-50174.8-71.3-94.5000111.2L140 A143 E157 S162 T163 L164 L179 R183L140-F160 HydrophobicContact CB-CE1 4.05Å; L140-F160 HydrophobicContact CB-CZ 4.22Å; L140-F160 HydrophobicContact CD1-CD1 4.28Å; L140-F160 HydrophobicContact CD1-CE1 4.41Å; L140-F160 HydrophobicContact CD2-CB 4.42Å; L140-F160 HydrophobicContact CD2-CD1 3.97Å; L140-F160 HydrophobicContact CD2-CD2 4.26Å; L140-F160 HydrophobicContact CD2-CE1 4.22Å; L140-F160 HydrophobicContact CD2-CE2 4.49Å; L140-F160 HydrophobicContact CD2-CG 3.98Å; L140-F160 HydrophobicContact CD2-CZ 4.45Å; L140-F160 HydrophobicContact CG-CE1 4.46Å; L140-F160 WeakPolarHBondContact O-CZ 3.38Å; A143-F160 HydrophobicContact CB-CE2 3.79Å; A143-F160 HydrophobicContact CB-CZ 4.4Å; E157-F160 WeakPolarHBondContact O-CA 3.27Å; E157-F160 WeakPolarHBondContact O-CB 3.49Å; E157-F160 PolarHBondContact O-N 2.88Å; F160-S162 VanDerWaalsContact C-N 3.28Å; F160-S162 PolarHBondContact O-N 3.28Å; F160-T163 PolarHBondContact O-N 2.73Å; F160-T163 PolarHBondContact O-OG1 3.26Å; F160-L164 PolarHBondContact O-N 2.9Å; F160-L179 HydrophobicContact CE1-CD2 4.22Å; F160-L179 HydrophobicContact CE1-CG 4.4Å; F160-R183 VanDerWaalsContact CE2-NE 3.3Å; F160-R183 VanDerWaalsContact CG-NH1 3.32Å
161E97.1Very high95.5Very high118 Ų11854.9 Ų54.955%0.55133%0.331SS*.Hα-helixtrans-55.9-42177.9-70.1-179.2158.100112.3E157 T163 L164E157-E161 HydrophobicContact CG-CG 4.06Å; E157-E161 PolarHBondContact O-N 3.09Å; E161-T163 PolarHBondContact O-N 3.28Å; E161-T163 VanDerWaalsContact O-N 3.12Å; E161-L164 PolarHBondContact O-N 2.99Å
162S95.1Very high95.8Very high80 Ų8049 Ų4956%0.55930%0.3SS*.Hα-helixtrans-64-17.5-179.377.30000114.4S158 F159 F160S158-S162 VanDerWaalsContact O-CB 3.3Å; S158-S162 WeakPolarHBondContact O-CB 3.49Å; S158-S162 PolarHBondContact O-N 3.49Å; S158-S162 PolarHBondContact O-OG 3.27Å; F159-S162 PolarHBondContact O-N 2.93Å; F159-S162 PolarHBondContact O-OG 3.49Å; F160-S162 VanDerWaalsContact C-N 3.28Å; F160-S162 PolarHBondContact O-N 3.28Å
163T96.4Very high96.2Very high6 Ų648.3 Ų48.34%0.03730%0.297CS..Hα-helixtrans-105.8-3.4-177.365.70000113.8K136 M139 L140 F159 F160 E161 G165 T166K136-T163 HydrophobicContact CB-CG2 4.28Å; K136-T163 HydrophobicContact CG-CG2 4.46Å; M139-T163 HydrophobicContact CE-CG2 3.78Å; L140-T163 HydrophobicContact CD1-CG2 4.38Å; L140-T163 WeakPolarHBondContact CD1-OG1 3.49Å; L140-T163 HydrophobicContact CD2-CG2 4.02Å; L140-T163 HydrophobicContact CG-CG2 4.3Å; F159-T163 WeakPolarHBondContact O-CG2 3.45Å; F160-T163 PolarHBondContact O-N 2.73Å; F160-T163 PolarHBondContact O-OG1 3.26Å; E161-T163 PolarHBondContact O-N 3.28Å; E161-T163 VanDerWaalsContact O-N 3.12Å; T163-G165 PolarHBondContact O-N 2.96Å; T163-T166 WeakPolarHBondContact CA-OG1 3.38Å; T163-T166 WeakPolarHBondContact O-CB 3.38Å; T163-T166 WeakPolarHBondContact O-CG2 3.42Å; T163-T166 PolarHBondContact O-N 3.5Å; T163-T166 PolarHBondContact O-OG1 2.94Å
164L94.9Very high96.5Very high133 Ų13350.5 Ų50.570%0.69630%0.303SS*.THydrogen-bonded Turntrans-57.3125.9-179.4-68.4177000111.4F160 E161 T166F160-L164 PolarHBondContact O-N 2.9Å; E161-L164 PolarHBondContact O-N 2.99Å; L164-T166 PolarHBondContact O-N 3.43Å
165G95Very high96.8Very high88 Ų8851.9 Ų51.991%0.90730%0.301SS*.THydrogen-bonded Turntrans70.86.2-179.900000115.3T163T163-G165 PolarHBondContact O-N 2.96Å
166T97.3Very high96.9Very high56 Ų5650.2 Ų50.234%0.34430%0.295SS..  trans-92.1-17.1-177.170.80000113.8K136 T163 L164 S168K136-T166 WeakPolarHBondContact CD-OG1 3.4Å; K136-T166 PolarHBondContact NZ-O 2.7Å; K136-T166 PolarHBondContact NZ-OG1 2.98Å; T163-T166 WeakPolarHBondContact CA-OG1 3.38Å; T163-T166 WeakPolarHBondContact O-CB 3.38Å; T163-T166 WeakPolarHBondContact O-CG2 3.42Å; T163-T166 PolarHBondContact O-N 3.5Å; T163-T166 PolarHBondContact O-OG1 2.94Å; L164-T166 PolarHBondContact O-N 3.43Å; T166-S168 PolarHBondContact O-N 3.28Å; T166-S168 PolarHBondContact O-OG 3.13Å
167F98.4Very high97Very high16 Ų1656.7 Ų56.77%0.0732%0.32CS..  trans-70.3121.1-179.9-73.7-87.7000111.6D133 K136 F137 L140 Q173 V176D133-F167 HydrophobicContact CB-CD1 4.05Å; D133-F167 HydrophobicContact CB-CE1 4.49Å; D133-F167 WeakPolarHBondContact O-CE1 3.35Å; D133-F167 WeakPolarHBondContact OD1-CA 3.45Å; K136-F167 HydrophobicContact CB-CE1 4.08Å; K136-F167 HydrophobicContact CB-CZ 3.87Å; F137-F167 HydrophobicContact CB-CE1 3.95Å; F137-F167 HydrophobicContact CB-CZ 4.32Å; L140-F167 HydrophobicContact CD1-CE2 3.96Å; L140-F167 HydrophobicContact CD1-CZ 3.88Å; F167-Q173 HydrophobicContact CB-CG 3.85Å; F167-Q173 PolarHBondContact O-NE2 3.23Å; F167-V176 HydrophobicContact CD2-CB 4.26Å; F167-V176 HydrophobicContact CD2-CG1 4.03Å; F167-V176 HydrophobicContact CD2-CG2 4.3Å; F167-V176 HydrophobicContact CE2-CB 3.97Å; F167-V176 HydrophobicContact CE2-CG1 4.25Å; F167-V176 HydrophobicContact CE2-CG2 3.73Å; F167-V176 HydrophobicContact CG-CG1 4.32Å; F167-V176 HydrophobicContact CZ-CB 4.12Å; F167-V176 HydrophobicContact CZ-CG2 4.12Å
168S97.4Very high97.1Very high85 Ų8559.4 Ų59.459%0.59433%0.332SS*.  trans-96.9-23.5-168.5-63.30000113.7D133 T166D133-S168 PolarHBondContact OD1-N 3.38Å; D133-S168 PolarHBondContact OD2-N 3.22Å; T166-S168 PolarHBondContact O-N 3.28Å; T166-S168 PolarHBondContact O-OG 3.13Å
169T96.8Very high97.2Very high25 Ų2557.4 Ų57.415%0.15332%0.318CS..SBendtrans-102.4150.9-176.866.90000112.3V129 I130 D133 L171 G172 Q173V129-T169 HydrophobicContact CG1-CG2 3.88Å; I130-T169 HydrophobicContact CB-CG2 4.07Å; I130-T169 HydrophobicContact CG1-CG2 4.35Å; D133-T169 WeakPolarHBondContact OD2-CB 3.32Å; D133-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D133-T169 PolarHBondContact OD2-N 2.91Å; D133-T169 PolarHBondContact OD2-OG1 3.32Å; T169-L171 VanDerWaalsContact C-N 3.25Å; T169-L171 PolarHBondContact O-N 2.82Å; T169-G172 PolarHBondContact O-N 3.34Å; T169-G172 PolarHBondContact OG1-N 2.64Å; T169-Q173 WeakPolarHBondContact O-CB 3.34Å; T169-Q173 VanDerWaalsContact O-CG 3.24Å; T169-Q173 WeakPolarHBondContact O-CG 3.38Å; T169-Q173 PolarHBondContact O-N 3.45Å
170S95.9Very high97.2Very high56 Ų5658.9 Ų58.939%0.39233%0.33SS..Hα-helixtrans-53.6-45170.5162.20000111.2E53 Q173 K174E53-S170 PolarHBondContact OE1-OG 2.94Å; E53-S170 VanDerWaalsContact OE1-OG 3.08Å; S170-Q173 PolarHBondContact O-N 3.26Å; S170-K174 VanDerWaalsContact O-CG 3.29Å; S170-K174 WeakPolarHBondContact O-CG 3.41Å; S170-K174 PolarHBondContact O-N 3.35Å; S170-K174 WeakPolarHBondContact OG-CE 3.33Å; S170-K174 PolarHBondContact OG-NZ 3.45Å
171L97.3Very high97.1Very high3 Ų361 Ų612%0.01635%0.346CS..Hα-helixtrans-61-52.7178.8-174.467.7000112.3I49 P50 E53 I130 F134 T169 Q173 K174 W175I49-L171 HydrophobicContact CG1-CD2 4.13Å; I49-L171 HydrophobicContact CG2-CD2 3.99Å; P50-L171 HydrophobicContact CG-CD1 4.09Å; E53-L171 HydrophobicContact CG-CD1 4.2Å; I130-L171 HydrophobicContact CD1-CD2 3.81Å; F134-L171 HydrophobicContact CE1-CD2 3.93Å; F134-L171 HydrophobicContact CZ-CD2 3.93Å; T169-L171 VanDerWaalsContact C-N 3.25Å; T169-L171 PolarHBondContact O-N 2.82Å; L171-Q173 VanDerWaalsContact C-N 3.28Å; L171-Q173 PolarHBondContact O-N 3.48Å; L171-K174 WeakPolarHBondContact O-CB 3.34Å; L171-K174 PolarHBondContact O-N 3.11Å; L171-K174 VanDerWaalsContact O-N 3.08Å; L171-W175 HydrophobicContact CD1-CZ2 4.14Å; L171-W175 HydrophobicContact CD2-CZ2 4.21Å; L171-W175 HydrophobicContact CG-CD2 4.39Å; L171-W175 HydrophobicContact CG-CZ2 4.33Å; L171-W175 PolarHBondContact O-N 3.11Å
172G97.9Very high97Very high1 Ų159.6 Ų59.61%0.0134%0.342CS..Hα-helixtrans-58.4-41.517900000112.1T169 W175 V176T169-G172 PolarHBondContact O-N 3.34Å; T169-G172 PolarHBondContact OG1-N 2.64Å; G172-W175 PolarHBondContact O-N 2.94Å; G172-V176 WeakPolarHBondContact O-CG1 3.21Å; G172-V176 PolarHBondContact O-N 2.78Å
173Q98.2Very high97Very high81 Ų8156.5 Ų56.538%0.37932%0.318SS..Hα-helixtrans-65.8-36.4175.3-69.21733.900113.3F167 T169 S170 L171 V176 R177F167-Q173 HydrophobicContact CB-CG 3.85Å; F167-Q173 PolarHBondContact O-NE2 3.23Å; T169-Q173 WeakPolarHBondContact O-CB 3.34Å; T169-Q173 VanDerWaalsContact O-CG 3.24Å; T169-Q173 WeakPolarHBondContact O-CG 3.38Å; T169-Q173 PolarHBondContact O-N 3.45Å; S170-Q173 PolarHBondContact O-N 3.26Å; L171-Q173 VanDerWaalsContact C-N 3.28Å; L171-Q173 PolarHBondContact O-N 3.48Å; Q173-V176 WeakPolarHBondContact O-CG1 3.32Å; Q173-R177 VanDerWaalsContact O-CG 3.32Å; Q173-R177 WeakPolarHBondContact O-CG 3.35Å; Q173-R177 VanDerWaalsContact O-CZ 3.29Å; Q173-R177 PolarHBondContact O-N 2.69Å; Q173-R177 PolarHBondContact O-NH1 3.17Å
174K97.9Very high96.8Very high82 Ų8264 Ų6436%0.35735%0.346SS..Hα-helixtrans-64.9-49.8173.9-74.3168.4-176.9173.80110.3E53 S170 L171 R177 E178E53-K174 IonicContact OE1-NZ 3.91Å; E53-K174 PolarHBondContact OE1-NZ 3.34Å; S170-K174 VanDerWaalsContact O-CG 3.29Å; S170-K174 WeakPolarHBondContact O-CG 3.41Å; S170-K174 PolarHBondContact O-N 3.35Å; S170-K174 WeakPolarHBondContact OG-CE 3.33Å; S170-K174 PolarHBondContact OG-NZ 3.45Å; L171-K174 WeakPolarHBondContact O-CB 3.34Å; L171-K174 PolarHBondContact O-N 3.11Å; L171-K174 VanDerWaalsContact O-N 3.08Å; K174-R177 VanDerWaalsContact CG-NH2 3.28Å; K174-R177 WeakPolarHBondContact O-CB 3.37Å; K174-R177 PolarHBondContact O-N 2.85Å; K174-E178 PolarHBondContact O-N 3.4Å; K174-E178 VanDerWaalsContact O-N 3.13Å
175W98.3Very high96.6Very high53 Ų5361.3 Ų61.320%0.20133%0.332CS..Hα-helixtrans-63.9-43.7-177.4-73.18000112.9M45 V48 F134 F137 L171 G172 R177 E178 L179M45-W175 HydrophobicContact CB-CH2 4.07Å; M45-W175 HydrophobicContact CB-CZ3 3.85Å; M45-W175 HydrophobicContact CG-CH2 4.33Å; M45-W175 HydrophobicContact CG-CZ3 3.82Å; M45-W175 HydrophobicContact SD-CZ3 4.17Å; V48-W175 HydrophobicContact CG2-CH2 4.45Å; F134-W175 HydrophobicContact CD1-CE3 4.33Å; F134-W175 AromaticContact CD1-CZ3 3.86Å; F134-W175 HydrophobicContact CD1-CZ3 3.86Å; F134-W175 HydrophobicContact CE1-CE3 4.03Å; F134-W175 AromaticContact CE1-CH2 3.86Å; F134-W175 HydrophobicContact CE1-CH2 3.86Å; F134-W175 AromaticContact CE1-CZ3 3.45Å; F134-W175 HydrophobicContact CE1-CZ3 3.45Å; F134-W175 VanDerWaalsContact CE1-CZ3 3.45Å; F134-W175 HydrophobicContact CZ-CH2 4.15Å; F134-W175 HydrophobicContact CZ-CZ3 4.16Å; F137-W175 AromaticContact CD1-CE3 3.62Å; F137-W175 HydrophobicContact CD1-CE3 3.62Å; F137-W175 HydrophobicContact CD1-CZ3 4.21Å; F137-W175 HydrophobicContact CD2-CB 3.96Å; F137-W175 HydrophobicContact CE1-CB 4.35Å; F137-W175 HydrophobicContact CE1-CD2 4.37Å; F137-W175 AromaticContact CE1-CE3 3.63Å; F137-W175 HydrophobicContact CE1-CE3 3.63Å; F137-W175 HydrophobicContact CE1-CZ3 4.29Å; F137-W175 HydrophobicContact CE2-CB 3.64Å; F137-W175 WeakPolarHBondContact CE2-O 3.24Å; F137-W175 HydrophobicContact CG-CB 4.46Å; F137-W175 HydrophobicContact CG-CE3 4.25Å; F137-W175 HydrophobicContact CZ-CB 3.86Å; F137-W175 HydrophobicContact CZ-CE3 4.26Å; L171-W175 HydrophobicContact CD1-CZ2 4.14Å; L171-W175 HydrophobicContact CD2-CZ2 4.21Å; L171-W175 HydrophobicContact CG-CD2 4.39Å; L171-W175 HydrophobicContact CG-CZ2 4.33Å; L171-W175 PolarHBondContact O-N 3.11Å; G172-W175 PolarHBondContact O-N 2.94Å; W175-R177 VanDerWaalsContact C-N 3.29Å; W175-R177 PolarHBondContact O-N 3.2Å; W175-E178 PolarHBondContact O-N 3.19Å; W175-L179 PolarHBondContact O-N 2.71Å
176V98.3Very high96.3Very high23 Ų2357.4 Ų57.414%0.13929%0.29CS..Hα-helixtrans-64.5-33.6176.772.60000112.1L140 F167 G172 Q173 L179 C180L140-V176 HydrophobicContact CD1-CG2 3.75Å; F167-V176 HydrophobicContact CD2-CB 4.26Å; F167-V176 HydrophobicContact CD2-CG1 4.03Å; F167-V176 HydrophobicContact CD2-CG2 4.3Å; F167-V176 HydrophobicContact CE2-CB 3.97Å; F167-V176 HydrophobicContact CE2-CG1 4.25Å; F167-V176 HydrophobicContact CE2-CG2 3.73Å; F167-V176 HydrophobicContact CG-CG1 4.32Å; F167-V176 HydrophobicContact CZ-CB 4.12Å; F167-V176 HydrophobicContact CZ-CG2 4.12Å; G172-V176 WeakPolarHBondContact O-CG1 3.21Å; G172-V176 PolarHBondContact O-N 2.78Å; Q173-V176 WeakPolarHBondContact O-CG1 3.32Å; V176-L179 PolarHBondContact O-N 2.95Å; V176-C180 WeakPolarHBondContact O-CB 3.31Å; V176-C180 PolarHBondContact O-N 2.7Å; V176-C180 PolarHBondContact O-SG 3.35Å
177R98Very high95.7Very high138 Ų13857.9 Ų57.952%0.52129%0.288SS..Hα-helixtrans-63.8-43.9174-78.9-171.6-60.8-942.8112Q173 K174 W175 C180 S181Q173-R177 VanDerWaalsContact O-CG 3.32Å; Q173-R177 WeakPolarHBondContact O-CG 3.35Å; Q173-R177 VanDerWaalsContact O-CZ 3.29Å; Q173-R177 PolarHBondContact O-N 2.69Å; Q173-R177 PolarHBondContact O-NH1 3.17Å; K174-R177 VanDerWaalsContact CG-NH2 3.28Å; K174-R177 WeakPolarHBondContact O-CB 3.37Å; K174-R177 PolarHBondContact O-N 2.85Å; W175-R177 VanDerWaalsContact C-N 3.29Å; W175-R177 PolarHBondContact O-N 3.2Å; R177-C180 PolarHBondContact O-N 3.24Å; R177-S181 PolarHBondContact O-N 3.03Å
178E98Very high95.1Very high128 Ų12861.4 Ų61.460%0.59831%0.306SS*.Hα-helixtrans-63.4-44.6176-65.8-56.5149.900111.3K174 W175 C180 S181 L182K174-E178 PolarHBondContact O-N 3.4Å; K174-E178 VanDerWaalsContact O-N 3.13Å; W175-E178 PolarHBondContact O-N 3.19Å; E178-C180 PolarHBondContact O-N 2.97Å; E178-S181 VanDerWaalsContact O-CB 3.28Å; E178-S181 WeakPolarHBondContact O-CB 3.28Å; E178-S181 PolarHBondContact O-N 3.11Å; E178-S181 VanDerWaalsContact O-N 3.11Å; E178-L182 PolarHBondContact O-N 3.46Å
179L98.1Very high94.3Very high4 Ų462.8 Ų62.82%0.02130%0.303CS..Hα-helixtrans-61.2-44.1176.5179.560.3000112.2F137 L140 L141 Y144 F160 W175 V176 S181 L182 R183F137-L179 HydrophobicContact CD2-CD2 4.34Å; F137-L179 HydrophobicContact CE2-CB 3.9Å; F137-L179 HydrophobicContact CE2-CD2 3.84Å; F137-L179 HydrophobicContact CE2-CG 4.5Å; F137-L179 HydrophobicContact CZ-CD2 4.48Å; L140-L179 HydrophobicContact CB-CD2 3.63Å; L141-L179 HydrophobicContact CB-CD2 4.33Å; L141-L179 HydrophobicContact CD1-CD1 3.8Å; Y144-L179 HydrophobicContact CD1-CD1 4.01Å; Y144-L179 HydrophobicContact CD2-CD1 4.38Å; Y144-L179 HydrophobicContact CG-CD1 3.78Å; F160-L179 HydrophobicContact CE1-CD2 4.22Å; F160-L179 HydrophobicContact CE1-CG 4.4Å; W175-L179 PolarHBondContact O-N 2.71Å; V176-L179 PolarHBondContact O-N 2.95Å; L179-S181 PolarHBondContact O-N 3.45Å; L179-L182 PolarHBondContact O-N 3.35Å; L179-R183 WeakPolarHBondContact O-CB 3.35Å; L179-R183 PolarHBondContact O-N 3.4Å
180C96.6Very high93.3Very high52 Ų5262.9 Ų62.935%0.35131%0.305SS..Hα-helixtrans-63-32175.4-72.80000112.5V176 R177 E178 R184V176-C180 WeakPolarHBondContact O-CB 3.31Å; V176-C180 PolarHBondContact O-N 2.7Å; V176-C180 PolarHBondContact O-SG 3.35Å; R177-C180 PolarHBondContact O-N 3.24Å; E178-C180 PolarHBondContact O-N 2.97Å; C180-R184 PolarHBondContact O-N 3.16Å
181S96Very high92.3Very high54 Ų5466.8 Ų66.838%0.37832%0.317SS..Hα-helixtrans-66.7-46.9173.6-168.80000111.4R177 E178 L179 R184 N185R177-S181 PolarHBondContact O-N 3.03Å; E178-S181 VanDerWaalsContact O-CB 3.28Å; E178-S181 WeakPolarHBondContact O-CB 3.28Å; E178-S181 PolarHBondContact O-N 3.11Å; E178-S181 VanDerWaalsContact O-N 3.11Å; L179-S181 PolarHBondContact O-N 3.45Å; S181-R184 PolarHBondContact O-N 3.39Å; S181-N185 PolarHBondContact O-N 3.16Å
182L94.7Very high91.3Very high88 Ų8870.2 Ų70.246%0.46134%0.341SS..Hα-helixtrans-60-47.4174.8-69.3174.6000111.6Y144 E178 L179 R184 N185 L186Y144-L182 HydrophobicContact CE2-CB 4.29Å; E178-L182 PolarHBondContact O-N 3.46Å; L179-L182 PolarHBondContact O-N 3.35Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 3.28Å; L182-N185 WeakPolarHBondContact O-CB 3.3Å; L182-N185 PolarHBondContact O-N 3.38Å; L182-N185 VanDerWaalsContact O-N 3.08Å; L182-L186 PolarHBondContact O-N 3.08Å
183R95.3Very high89.6Confident15 Ų1574.2 Ų74.26%0.05737%0.369CS..Hα-helixtrans-60.3-38.1179-172.7172.6-179.3-118.2-3.1112.1Y144 E147 E157 F160 L179 N185 L186 F187Y144-R183 HydrophobicContact CD2-CB 3.87Å; Y144-R183 HydrophobicContact CD2-CG 4.17Å; Y144-R183 HydrophobicContact CE2-CB 4.36Å; E147-R183 IonicContact OE1-CZ 3.66Å; E147-R183 IonicContact OE1-NE 3.74Å; E147-R183 IonicContact OE1-NH2 2.78Å; E147-R183 PolarHBondContact OE1-NH2 3.34Å; E147-R183 IonicContact OE2-CZ 3.38Å; E147-R183 IonicContact OE2-NE 2.71Å; E147-R183 PolarHBondContact OE2-NE 3.01Å; E147-R183 IonicContact OE2-NH2 3.19Å; E147-R183 PolarHBondContact OE2-NH2 3.43Å; E157-R183 IonicContact OE1-NH1 3.5Å; E157-R183 PolarHBondContact OE1-NH1 2.96Å; E157-R183 IonicContact OE2-CZ 3.12Å; E157-R183 IonicContact OE2-NH1 2.69Å; E157-R183 PolarHBondContact OE2-NH1 3.32Å; E157-R183 IonicContact OE2-NH2 2.7Å; E157-R183 PolarHBondContact OE2-NH2 3.07Å; F160-R183 VanDerWaalsContact CE2-NE 3.3Å; F160-R183 VanDerWaalsContact CG-NH1 3.32Å; L179-R183 WeakPolarHBondContact O-CB 3.35Å; L179-R183 PolarHBondContact O-N 3.4Å; R183-N185 VanDerWaalsContact C-N 3.3Å; R183-N185 PolarHBondContact O-N 3.38Å; R183-L186 VanDerWaalsContact O-CB 3.3Å; R183-L186 WeakPolarHBondContact O-CB 3.26Å; R183-L186 PolarHBondContact O-N 3.37Å; R183-L186 VanDerWaalsContact O-N 3.16Å; R183-F187 HydrophobicContact CG-CE2 4.05Å; R183-F187 VanDerWaalsContact O-CD2 3.26Å; R183-F187 WeakPolarHBondContact O-CD2 3.44Å
184R92.8Very high87.8Confident164 Ų16477.2 Ų77.262%0.61939%0.388SS*.Hα-helixtrans-60.4-38.4174.8-173.4-178.1-63.4148.72.3112.6C180 S181 L182 L186 F187 I188C180-R184 PolarHBondContact O-N 3.16Å; S181-R184 PolarHBondContact O-N 3.39Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 3.28Å; R184-L186 PolarHBondContact O-N 3.32Å; R184-F187 PolarHBondContact O-N 3.05Å; R184-I188 HydrophobicContact CG-CD1 4.43Å; R184-I188 PolarHBondContact O-N 3.39Å
185N90.1Very high85.7Confident76 Ų7681.6 Ų81.641%0.40642%0.422SS..Hα-helixtrans-66.4-29.5178.7-65.4-28.6000112.3S181 L182 R183 I188 Q189S181-N185 PolarHBondContact O-N 3.16Å; L182-N185 WeakPolarHBondContact O-CB 3.3Å; L182-N185 PolarHBondContact O-N 3.38Å; L182-N185 VanDerWaalsContact O-N 3.08Å; R183-N185 VanDerWaalsContact C-N 3.3Å; R183-N185 PolarHBondContact O-N 3.38Å; N185-I188 PolarHBondContact O-N 3.49Å; N185-Q189 VanDerWaalsContact O-CG 3.32Å; N185-Q189 WeakPolarHBondContact O-CG 3.44Å; N185-Q189 PolarHBondContact O-N 3.01Å
186L88.4Confident85Confident6 Ų683.1 Ų83.13%0.03143%0.433CS..Hα-helixtrans-62.5-43.2174.4-17661.2000111.6Y144 E147 H148 P153 L182 R183 R184 Q189 C190Y144-L186 HydrophobicContact CE2-CD2 4.43Å; E147-L186 HydrophobicContact CB-CD2 4.16Å; H148-L186 HydrophobicContact CB-CD1 4.37Å; H148-L186 HydrophobicContact CB-CD2 3.97Å; P153-L186 HydrophobicContact CB-CD2 4.33Å; P153-L186 HydrophobicContact CB-CG 4.24Å; L182-L186 PolarHBondContact O-N 3.08Å; R183-L186 VanDerWaalsContact O-CB 3.3Å; R183-L186 WeakPolarHBondContact O-CB 3.26Å; R183-L186 PolarHBondContact O-N 3.37Å; R183-L186 VanDerWaalsContact O-N 3.16Å; R184-L186 PolarHBondContact O-N 3.32Å; L186-Q189 PolarHBondContact O-N 3.35Å; L186-C190 PolarHBondContact O-N 3.33Å; L186-C190 VanDerWaalsContact O-N 3.16Å
187F86.3Confident84.3Confident65 Ų6586.2 Ų86.229%0.28545%0.448SS..Hα-helixtrans-61-45.6175.1-73-88.6000112.1P153 G154 R183 R184 Q189 C190 E191P153-F187 HydrophobicContact CB-CD1 3.72Å; P153-F187 HydrophobicContact CB-CD2 4.35Å; P153-F187 HydrophobicContact CB-CE1 3.69Å; P153-F187 HydrophobicContact CB-CE2 4.32Å; P153-F187 HydrophobicContact CB-CG 4.06Å; P153-F187 HydrophobicContact CB-CZ 4.01Å; P153-F187 HydrophobicContact CG-CD1 4.22Å; P153-F187 HydrophobicContact CG-CE1 4.41Å; G154-F187 VanDerWaalsContact N-CZ 3.33Å; R183-F187 HydrophobicContact CG-CE2 4.05Å; R183-F187 VanDerWaalsContact O-CD2 3.26Å; R183-F187 WeakPolarHBondContact O-CD2 3.44Å; R184-F187 PolarHBondContact O-N 3.05Å; F187-Q189 VanDerWaalsContact C-N 3.3Å; F187-Q189 PolarHBondContact O-N 3.26Å; F187-C190 PolarHBondContact O-N 2.76Å; F187-E191 WeakPolarHBondContact O-CG 3.32Å; F187-E191 PolarHBondContact O-N 3.06Å
188I84.6Confident83.6Confident91 Ų9183.3 Ų83.347%0.46744%0.444SS..Hα-helixtrans-61.9-40.4-179.5-63.4168.5000111.1R184 N185 E191 S192R184-I188 HydrophobicContact CG-CD1 4.43Å; R184-I188 PolarHBondContact O-N 3.39Å; N185-I188 PolarHBondContact O-N 3.49Å; I188-E191 PolarHBondContact O-N 3.38Å; I188-S192 PolarHBondContact O-N 2.81Å; I188-S192 VanDerWaalsContact O-N 3.09Å; I188-S192 PolarHBondContact O-OG 3.36Å
189Q80.2Confident82.7Confident114 Ų11480.7 Ų80.753%0.53344%0.435SS..Hα-helixtrans-65.1-43.9179-73.5173.2-4.800111.7N185 L186 F187 S192 S193N185-Q189 VanDerWaalsContact O-CG 3.32Å; N185-Q189 WeakPolarHBondContact O-CG 3.44Å; N185-Q189 PolarHBondContact O-N 3.01Å; L186-Q189 PolarHBondContact O-N 3.35Å; F187-Q189 VanDerWaalsContact C-N 3.3Å; F187-Q189 PolarHBondContact O-N 3.26Å; Q189-S192 PolarHBondContact O-N 3.37Å; Q189-S192 PolarHBondContact O-OG 3.3Å; Q189-S193 PolarHBondContact O-N 3.19Å; Q189-S193 PolarHBondContact O-OG 3.16Å
190C75.6Confident81.8Confident27 Ų2785.5 Ų85.518%0.18246%0.461CS..Hα-helixtrans-64.3-41.2176.3-71.80000112.7P153 L186 F187 S192 S193P153-C190 HydrophobicContact CG-CB 4.06Å; L186-C190 PolarHBondContact O-N 3.33Å; L186-C190 VanDerWaalsContact O-N 3.16Å; F187-C190 PolarHBondContact O-N 2.76Å; C190-S192 VanDerWaalsContact C-N 3.28Å; C190-S192 PolarHBondContact O-N 3.29Å; C190-S193 WeakPolarHBondContact CA-OG 3.47Å; C190-S193 PolarHBondContact O-N 3.38Å; C190-S193 PolarHBondContact O-OG 3.09Å
191E76.3Confident80.8Confident137 Ų13787.7 Ų87.764%0.6447%0.468SS*.Hα-helixtrans-62.6-35.6175.7-72.4177.1-179.300112.2F187 I188F187-E191 WeakPolarHBondContact O-CG 3.32Å; F187-E191 PolarHBondContact O-N 3.06Å; I188-E191 PolarHBondContact O-N 3.38Å
192S74.7Confident79.7Confident75 Ų7590.1 Ų90.152%0.52448%0.475SS..Hα-helixtrans-75.7-21.3178.868.90000114.4I188 Q189 C190 T195I188-S192 PolarHBondContact O-N 2.81Å; I188-S192 VanDerWaalsContact O-N 3.09Å; I188-S192 PolarHBondContact O-OG 3.36Å; Q189-S192 PolarHBondContact O-N 3.37Å; Q189-S192 PolarHBondContact O-OG 3.3Å; C190-S192 VanDerWaalsContact C-N 3.28Å; C190-S192 PolarHBondContact O-N 3.29Å; S192-T195 PolarHBondContact O-OG1 3.38Å
193S63.2Low78.5Confident86 Ų8690.3 Ų90.360%0.60148%0.476SS*.Hα-helixtrans-82.8-14.2176.150.10000114Q189 C190Q189-S193 PolarHBondContact O-N 3.19Å; Q189-S193 PolarHBondContact O-OG 3.16Å; C190-S193 WeakPolarHBondContact CA-OG 3.47Å; C190-S193 PolarHBondContact O-N 3.38Å; C190-S193 PolarHBondContact O-OG 3.09Å
194D59.9Low77.1Confident144 Ų14496.6 Ų96.677%0.7751%0.511SS*.  trans-90.2-5.1178.8-72.4-20.1000113.4
195T53.6Low75.7Confident174 Ų17490.5 Ų90.5100%1.06750%0.501SS*.  trans-1040174.646.50000112.9S192S192-T195 PolarHBondContact O-OG1 3.38Å

Retrieved 195 of 195 residues in 84.8 ms (Link to these results)

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